USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 Single : A 37 GLN : amide:sc= -0.463 K(o=-0.46,f=-2.7!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -140:sc= -1.37 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 62 THR OG1 : rot 62:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0262 (180deg=-0.227) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0128 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc=-0.00506 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 148:sc= -0.0286 (180deg=-0.966) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -4.681 12.215 11.890 1.00 0.00 N ATOM 30 CA ASP A 31 -4.358 10.988 12.672 1.00 0.00 C ATOM 31 C ASP A 31 -4.477 9.760 11.767 1.00 0.00 C ATOM 32 O ASP A 31 -5.370 8.950 11.918 1.00 0.00 O ATOM 33 CB ASP A 31 -5.336 10.857 13.841 1.00 0.00 C ATOM 34 CG ASP A 31 -4.719 9.971 14.926 1.00 0.00 C ATOM 35 OD1 ASP A 31 -3.557 9.625 14.790 1.00 0.00 O ATOM 36 OD2 ASP A 31 -5.420 9.654 15.873 1.00 0.00 O ATOM 0 HA ASP A 31 -3.340 11.059 13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.567 11.841 14.248 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.276 10.426 13.496 1.00 0.00 H new ATOM 41 N GLY A 32 -3.584 9.616 10.826 1.00 0.00 N ATOM 42 CA GLY A 32 -3.647 8.440 9.913 1.00 0.00 C ATOM 43 C GLY A 32 -2.627 8.612 8.786 1.00 0.00 C ATOM 44 O GLY A 32 -2.678 9.561 8.030 1.00 0.00 O ATOM 0 H GLY A 32 -2.814 10.262 10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.441 7.525 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.650 8.342 9.498 1.00 0.00 H new ATOM 48 N VAL A 33 -1.701 7.700 8.668 1.00 0.00 N ATOM 49 CA VAL A 33 -0.679 7.812 7.589 1.00 0.00 C ATOM 50 C VAL A 33 -0.552 6.470 6.866 1.00 0.00 C ATOM 51 O VAL A 33 -0.144 5.481 7.440 1.00 0.00 O ATOM 52 CB VAL A 33 0.670 8.191 8.203 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.558 9.557 8.882 1.00 0.00 C ATOM 54 CG2 VAL A 33 1.071 7.139 9.239 1.00 0.00 C ATOM 0 H VAL A 33 -1.608 6.883 9.271 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.983 8.580 6.878 1.00 0.00 H new ATOM 0 HB VAL A 33 1.425 8.237 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.520 9.826 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.272 10.307 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.197 9.512 9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.032 7.408 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.315 7.093 10.023 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.152 6.165 8.756 1.00 0.00 H new ATOM 64 N VAL A 34 -0.898 6.429 5.608 1.00 0.00 N ATOM 65 CA VAL A 34 -0.796 5.151 4.849 1.00 0.00 C ATOM 66 C VAL A 34 0.652 4.935 4.404 1.00 0.00 C ATOM 67 O VAL A 34 1.437 5.861 4.343 1.00 0.00 O ATOM 68 CB VAL A 34 -1.703 5.214 3.619 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.573 3.917 2.820 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.156 5.392 4.067 1.00 0.00 C ATOM 0 H VAL A 34 -1.247 7.225 5.074 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.107 4.324 5.488 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.408 6.056 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.220 3.963 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.539 3.788 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.868 3.074 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.804 5.437 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.450 4.549 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.251 6.317 4.636 1.00 0.00 H new ATOM 80 N ARG A 35 1.012 3.720 4.093 1.00 0.00 N ATOM 81 CA ARG A 35 2.409 3.447 3.653 1.00 0.00 C ATOM 82 C ARG A 35 2.404 2.333 2.603 1.00 0.00 C ATOM 83 O ARG A 35 1.847 1.274 2.811 1.00 0.00 O ATOM 84 CB ARG A 35 3.247 3.010 4.856 1.00 0.00 C ATOM 85 CG ARG A 35 4.367 4.025 5.094 1.00 0.00 C ATOM 86 CD ARG A 35 4.635 4.147 6.595 1.00 0.00 C ATOM 87 NE ARG A 35 5.673 3.155 6.997 1.00 0.00 N ATOM 88 CZ ARG A 35 6.461 3.407 8.006 1.00 0.00 C ATOM 89 NH1 ARG A 35 5.978 3.944 9.093 1.00 0.00 N ATOM 90 NH2 ARG A 35 7.732 3.124 7.927 1.00 0.00 N ATOM 0 H ARG A 35 0.399 2.905 4.125 1.00 0.00 H new ATOM 0 HA ARG A 35 2.837 4.352 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.617 2.933 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.670 2.021 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.273 3.710 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.086 4.995 4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.969 5.156 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.716 3.974 7.155 1.00 0.00 H new ATOM 0 HE ARG A 35 5.767 2.279 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.984 4.167 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.594 4.141 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.109 2.706 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.348 3.321 8.716 1.00 0.00 H new ATOM 104 N ILE A 36 3.021 2.564 1.477 1.00 0.00 N ATOM 105 CA ILE A 36 3.051 1.519 0.416 1.00 0.00 C ATOM 106 C ILE A 36 4.481 1.362 -0.106 1.00 0.00 C ATOM 107 O ILE A 36 5.002 2.225 -0.784 1.00 0.00 O ATOM 108 CB ILE A 36 2.131 1.932 -0.734 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.789 2.403 -0.169 1.00 0.00 C ATOM 110 CG2 ILE A 36 1.901 0.737 -1.661 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.721 3.931 -0.220 1.00 0.00 C ATOM 0 H ILE A 36 3.506 3.431 1.246 1.00 0.00 H new ATOM 0 HA ILE A 36 2.710 0.571 0.831 1.00 0.00 H new ATOM 0 HB ILE A 36 2.595 2.743 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.031 1.973 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.674 2.057 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.245 1.033 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.856 0.400 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.438 -0.075 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.235 4.266 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.532 4.351 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.817 4.265 -1.253 1.00 0.00 H new ATOM 123 N GLN A 37 5.119 0.267 0.205 1.00 0.00 N ATOM 124 CA GLN A 37 6.514 0.057 -0.274 1.00 0.00 C ATOM 125 C GLN A 37 6.694 -1.403 -0.696 1.00 0.00 C ATOM 126 O GLN A 37 5.969 -2.278 -0.265 1.00 0.00 O ATOM 127 CB GLN A 37 7.495 0.386 0.853 1.00 0.00 C ATOM 128 CG GLN A 37 7.277 -0.579 2.020 1.00 0.00 C ATOM 129 CD GLN A 37 8.631 -1.020 2.579 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.619 -1.030 1.872 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.719 -1.387 3.828 1.00 0.00 N ATOM 0 H GLN A 37 4.735 -0.491 0.770 1.00 0.00 H new ATOM 0 HA GLN A 37 6.707 0.708 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.520 0.309 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.351 1.414 1.186 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.690 -0.095 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.709 -1.448 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.890 -1.379 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.617 -1.682 4.211 1.00 0.00 H new ATOM 140 N ARG A 38 7.655 -1.673 -1.536 1.00 0.00 N ATOM 141 CA ARG A 38 7.880 -3.076 -1.985 1.00 0.00 C ATOM 142 C ARG A 38 8.976 -3.715 -1.129 1.00 0.00 C ATOM 143 O ARG A 38 9.996 -3.114 -0.859 1.00 0.00 O ATOM 144 CB ARG A 38 8.313 -3.079 -3.453 1.00 0.00 C ATOM 145 CG ARG A 38 9.483 -2.111 -3.642 1.00 0.00 C ATOM 146 CD ARG A 38 10.375 -2.606 -4.783 1.00 0.00 C ATOM 147 NE ARG A 38 11.706 -1.942 -4.696 1.00 0.00 N ATOM 148 CZ ARG A 38 12.708 -2.396 -5.397 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.506 -2.862 -6.599 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.913 -2.384 -4.896 1.00 0.00 N ATOM 0 H ARG A 38 8.294 -0.983 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 38 6.956 -3.645 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.607 -4.084 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.478 -2.786 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.110 -1.112 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.060 -2.037 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.492 -3.688 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.910 -2.387 -5.744 1.00 0.00 H new ATOM 0 HE ARG A 38 11.834 -1.133 -4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.564 -2.871 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.290 -3.217 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.071 -2.020 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.697 -2.739 -5.444 1.00 0.00 H new ATOM 164 N GLN A 39 8.773 -4.931 -0.701 1.00 0.00 N ATOM 165 CA GLN A 39 9.803 -5.607 0.137 1.00 0.00 C ATOM 166 C GLN A 39 10.485 -6.705 -0.681 1.00 0.00 C ATOM 167 O GLN A 39 10.001 -7.816 -0.773 1.00 0.00 O ATOM 168 CB GLN A 39 9.134 -6.228 1.365 1.00 0.00 C ATOM 169 CG GLN A 39 9.651 -5.541 2.631 1.00 0.00 C ATOM 170 CD GLN A 39 9.112 -6.268 3.864 1.00 0.00 C ATOM 171 OE1 GLN A 39 8.095 -6.931 3.796 1.00 0.00 O ATOM 172 NE2 GLN A 39 9.754 -6.172 4.996 1.00 0.00 N ATOM 0 H GLN A 39 7.939 -5.485 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 39 10.546 -4.877 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.052 -6.120 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.346 -7.296 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.741 -5.546 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.337 -4.497 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.607 -5.616 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.403 -6.653 5.824 1.00 0.00 H new ATOM 181 N THR A 40 11.607 -6.404 -1.277 1.00 0.00 N ATOM 182 CA THR A 40 12.319 -7.431 -2.089 1.00 0.00 C ATOM 183 C THR A 40 12.988 -8.444 -1.157 1.00 0.00 C ATOM 184 O THR A 40 13.036 -8.260 0.043 1.00 0.00 O ATOM 185 CB THR A 40 13.384 -6.750 -2.952 1.00 0.00 C ATOM 186 OG1 THR A 40 12.980 -5.418 -3.236 1.00 0.00 O ATOM 187 CG2 THR A 40 13.554 -7.524 -4.260 1.00 0.00 C ATOM 0 H THR A 40 12.061 -5.491 -1.236 1.00 0.00 H new ATOM 0 HA THR A 40 11.605 -7.946 -2.732 1.00 0.00 H new ATOM 0 HB THR A 40 14.333 -6.735 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.662 -4.980 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.312 -7.039 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.864 -8.546 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.607 -7.540 -4.799 1.00 0.00 H new ATOM 266 N LYS A 46 10.074 -12.827 -7.256 1.00 0.00 N ATOM 267 CA LYS A 46 8.991 -11.848 -7.553 1.00 0.00 C ATOM 268 C LYS A 46 8.959 -10.776 -6.462 1.00 0.00 C ATOM 269 O LYS A 46 9.444 -10.978 -5.366 1.00 0.00 O ATOM 270 CB LYS A 46 7.645 -12.574 -7.594 1.00 0.00 C ATOM 271 CG LYS A 46 7.227 -12.794 -9.050 1.00 0.00 C ATOM 272 CD LYS A 46 5.973 -13.669 -9.095 1.00 0.00 C ATOM 273 CE LYS A 46 5.341 -13.584 -10.486 1.00 0.00 C ATOM 274 NZ LYS A 46 4.596 -14.843 -10.771 1.00 0.00 N ATOM 0 HA LYS A 46 9.180 -11.378 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.720 -13.531 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.888 -11.989 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.032 -11.836 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.036 -13.271 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.229 -14.703 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.260 -13.340 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.666 -12.730 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.113 -13.427 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.166 -14.786 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.252 -15.650 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.849 -14.973 -10.059 1.00 0.00 H new ATOM 288 N GLY A 47 8.393 -9.637 -6.753 1.00 0.00 N ATOM 289 CA GLY A 47 8.331 -8.553 -5.732 1.00 0.00 C ATOM 290 C GLY A 47 6.988 -8.615 -5.001 1.00 0.00 C ATOM 291 O GLY A 47 6.137 -9.424 -5.314 1.00 0.00 O ATOM 0 H GLY A 47 7.971 -9.410 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.150 -8.662 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.452 -7.581 -6.210 1.00 0.00 H new ATOM 295 N VAL A 48 6.791 -7.767 -4.030 1.00 0.00 N ATOM 296 CA VAL A 48 5.503 -7.778 -3.281 1.00 0.00 C ATOM 297 C VAL A 48 5.209 -6.373 -2.751 1.00 0.00 C ATOM 298 O VAL A 48 6.104 -5.579 -2.540 1.00 0.00 O ATOM 299 CB VAL A 48 5.604 -8.755 -2.108 1.00 0.00 C ATOM 300 CG1 VAL A 48 5.565 -10.191 -2.634 1.00 0.00 C ATOM 301 CG2 VAL A 48 6.921 -8.522 -1.364 1.00 0.00 C ATOM 0 H VAL A 48 7.466 -7.067 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 48 4.698 -8.091 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 48 4.767 -8.594 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.637 -10.887 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.628 -10.358 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.402 -10.352 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.994 -9.217 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.757 -8.683 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.951 -7.499 -0.989 1.00 0.00 H new ATOM 311 N CYS A 49 3.960 -6.059 -2.536 1.00 0.00 N ATOM 312 CA CYS A 49 3.611 -4.705 -2.021 1.00 0.00 C ATOM 313 C CYS A 49 2.903 -4.839 -0.671 1.00 0.00 C ATOM 314 O CYS A 49 1.784 -5.305 -0.590 1.00 0.00 O ATOM 315 CB CYS A 49 2.684 -4.005 -3.016 1.00 0.00 C ATOM 316 SG CYS A 49 2.714 -2.220 -2.715 1.00 0.00 S ATOM 0 H CYS A 49 3.167 -6.681 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 49 4.521 -4.118 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.001 -4.218 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.668 -4.385 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 49 1.513 -1.738 -2.842 1.00 0.00 H new ATOM 322 N LEU A 50 3.546 -4.432 0.389 1.00 0.00 N ATOM 323 CA LEU A 50 2.909 -4.535 1.733 1.00 0.00 C ATOM 324 C LEU A 50 2.280 -3.190 2.102 1.00 0.00 C ATOM 325 O LEU A 50 2.899 -2.151 1.984 1.00 0.00 O ATOM 326 CB LEU A 50 3.970 -4.905 2.772 1.00 0.00 C ATOM 327 CG LEU A 50 3.334 -5.762 3.868 1.00 0.00 C ATOM 328 CD1 LEU A 50 3.949 -7.162 3.842 1.00 0.00 C ATOM 329 CD2 LEU A 50 3.594 -5.118 5.232 1.00 0.00 C ATOM 0 H LEU A 50 4.485 -4.033 0.383 1.00 0.00 H new ATOM 0 HA LEU A 50 2.137 -5.304 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.785 -5.450 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.400 -4.002 3.205 1.00 0.00 H new ATOM 0 HG LEU A 50 2.260 -5.833 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.496 -7.773 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.767 -7.621 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.023 -7.091 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.141 -5.727 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.668 -5.048 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.158 -4.119 5.252 1.00 0.00 H new ATOM 341 N ILE A 51 1.053 -3.200 2.548 1.00 0.00 N ATOM 342 CA ILE A 51 0.387 -1.921 2.924 1.00 0.00 C ATOM 343 C ILE A 51 -0.131 -2.017 4.360 1.00 0.00 C ATOM 344 O ILE A 51 -1.010 -2.800 4.662 1.00 0.00 O ATOM 345 CB ILE A 51 -0.784 -1.659 1.975 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.244 -1.298 0.589 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.626 -0.499 2.510 1.00 0.00 C ATOM 348 CD1 ILE A 51 -1.353 -1.467 -0.451 1.00 0.00 C ATOM 0 H ILE A 51 0.484 -4.038 2.668 1.00 0.00 H new ATOM 0 HA ILE A 51 1.104 -1.103 2.852 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.402 -2.554 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.119 -0.270 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.603 -1.937 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.460 -0.313 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.010 -0.753 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.009 0.397 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.968 -1.210 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.695 -2.502 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.187 -0.810 -0.204 1.00 0.00 H new ATOM 360 N THR A 52 0.407 -1.227 5.249 1.00 0.00 N ATOM 361 CA THR A 52 -0.055 -1.273 6.665 1.00 0.00 C ATOM 362 C THR A 52 0.152 0.098 7.313 1.00 0.00 C ATOM 363 O THR A 52 0.782 0.972 6.752 1.00 0.00 O ATOM 364 CB THR A 52 0.750 -2.326 7.430 1.00 0.00 C ATOM 365 OG1 THR A 52 0.694 -2.042 8.822 1.00 0.00 O ATOM 366 CG2 THR A 52 2.205 -2.300 6.960 1.00 0.00 C ATOM 0 H THR A 52 1.147 -0.552 5.056 1.00 0.00 H new ATOM 0 HA THR A 52 -1.113 -1.533 6.694 1.00 0.00 H new ATOM 0 HB THR A 52 0.329 -3.314 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.207 -2.716 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.777 -3.050 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.247 -2.517 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.630 -1.314 7.146 1.00 0.00 H new ATOM 374 N GLY A 53 -0.374 0.293 8.491 1.00 0.00 N ATOM 375 CA GLY A 53 -0.207 1.607 9.174 1.00 0.00 C ATOM 376 C GLY A 53 -1.477 2.441 8.997 1.00 0.00 C ATOM 377 O GLY A 53 -1.693 3.415 9.690 1.00 0.00 O ATOM 0 H GLY A 53 -0.912 -0.401 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.005 1.454 10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.650 2.138 8.759 1.00 0.00 H new ATOM 381 N VAL A 54 -2.319 2.067 8.073 1.00 0.00 N ATOM 382 CA VAL A 54 -3.574 2.838 7.852 1.00 0.00 C ATOM 383 C VAL A 54 -4.372 2.899 9.157 1.00 0.00 C ATOM 384 O VAL A 54 -4.934 1.917 9.598 1.00 0.00 O ATOM 385 CB VAL A 54 -4.413 2.150 6.774 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.676 2.970 6.508 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.595 2.043 5.485 1.00 0.00 C ATOM 0 H VAL A 54 -2.192 1.261 7.462 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.326 3.849 7.529 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.693 1.153 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.273 2.479 5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.259 3.049 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.397 3.968 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.191 1.553 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.316 3.041 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.694 1.459 5.673 1.00 0.00 H new ATOM 397 N ASP A 55 -4.425 4.046 9.777 1.00 0.00 N ATOM 398 CA ASP A 55 -5.187 4.168 11.052 1.00 0.00 C ATOM 399 C ASP A 55 -6.656 4.462 10.742 1.00 0.00 C ATOM 400 O ASP A 55 -7.110 5.584 10.845 1.00 0.00 O ATOM 401 CB ASP A 55 -4.603 5.310 11.887 1.00 0.00 C ATOM 402 CG ASP A 55 -4.999 5.126 13.353 1.00 0.00 C ATOM 403 OD1 ASP A 55 -5.094 3.988 13.782 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.202 6.126 14.022 1.00 0.00 O ATOM 0 H ASP A 55 -3.974 4.903 9.456 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.114 3.235 11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.517 5.326 11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.969 6.268 11.518 1.00 0.00 H new ATOM 409 N LEU A 56 -7.403 3.462 10.364 1.00 0.00 N ATOM 410 CA LEU A 56 -8.842 3.684 10.048 1.00 0.00 C ATOM 411 C LEU A 56 -9.683 2.589 10.706 1.00 0.00 C ATOM 412 O LEU A 56 -9.190 1.529 11.038 1.00 0.00 O ATOM 413 CB LEU A 56 -9.045 3.642 8.532 1.00 0.00 C ATOM 414 CG LEU A 56 -9.679 4.953 8.065 1.00 0.00 C ATOM 415 CD1 LEU A 56 -10.992 5.182 8.816 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.721 6.112 8.350 1.00 0.00 C ATOM 0 H LEU A 56 -7.079 2.500 10.260 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.151 4.658 10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.089 3.489 8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.684 2.801 8.263 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.878 4.899 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.443 6.116 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.675 4.357 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.794 5.236 9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.172 7.047 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.523 6.165 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.785 5.950 7.815 1.00 0.00 H new ATOM 428 N ASP A 57 -10.951 2.835 10.898 1.00 0.00 N ATOM 429 CA ASP A 57 -11.821 1.806 11.534 1.00 0.00 C ATOM 430 C ASP A 57 -12.152 0.715 10.513 1.00 0.00 C ATOM 431 O ASP A 57 -12.097 0.932 9.319 1.00 0.00 O ATOM 432 CB ASP A 57 -13.116 2.463 12.017 1.00 0.00 C ATOM 433 CG ASP A 57 -13.255 2.269 13.528 1.00 0.00 C ATOM 434 OD1 ASP A 57 -12.247 2.015 14.167 1.00 0.00 O ATOM 435 OD2 ASP A 57 -14.366 2.379 14.020 1.00 0.00 O ATOM 0 H ASP A 57 -11.421 3.703 10.642 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.299 1.362 12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.109 3.526 11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.972 2.025 11.503 1.00 0.00 H new ATOM 440 N ASP A 58 -12.494 -0.457 10.974 1.00 0.00 N ATOM 441 CA ASP A 58 -12.827 -1.560 10.029 1.00 0.00 C ATOM 442 C ASP A 58 -13.853 -1.066 9.008 1.00 0.00 C ATOM 443 O ASP A 58 -14.269 0.075 9.035 1.00 0.00 O ATOM 444 CB ASP A 58 -13.412 -2.740 10.809 1.00 0.00 C ATOM 445 CG ASP A 58 -12.441 -3.920 10.757 1.00 0.00 C ATOM 446 OD1 ASP A 58 -11.259 -3.699 10.964 1.00 0.00 O ATOM 447 OD2 ASP A 58 -12.895 -5.025 10.510 1.00 0.00 O ATOM 0 H ASP A 58 -12.557 -0.698 11.963 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.923 -1.879 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.594 -2.451 11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.374 -3.028 10.385 1.00 0.00 H new ATOM 452 N ALA A 59 -14.264 -1.917 8.107 1.00 0.00 N ATOM 453 CA ALA A 59 -15.264 -1.499 7.083 1.00 0.00 C ATOM 454 C ALA A 59 -14.573 -0.657 6.008 1.00 0.00 C ATOM 455 O ALA A 59 -14.270 -1.135 4.933 1.00 0.00 O ATOM 456 CB ALA A 59 -16.366 -0.673 7.750 1.00 0.00 C ATOM 0 H ALA A 59 -13.950 -2.885 8.036 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.704 -2.384 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.096 -0.368 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.859 -1.274 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.928 0.212 8.211 1.00 0.00 H new ATOM 462 N GLU A 60 -14.324 0.593 6.287 1.00 0.00 N ATOM 463 CA GLU A 60 -13.654 1.462 5.278 1.00 0.00 C ATOM 464 C GLU A 60 -12.337 0.818 4.842 1.00 0.00 C ATOM 465 O GLU A 60 -11.949 0.892 3.693 1.00 0.00 O ATOM 466 CB GLU A 60 -13.373 2.834 5.893 1.00 0.00 C ATOM 467 CG GLU A 60 -14.675 3.633 5.977 1.00 0.00 C ATOM 468 CD GLU A 60 -14.584 4.857 5.064 1.00 0.00 C ATOM 469 OE1 GLU A 60 -14.025 4.727 3.987 1.00 0.00 O ATOM 470 OE2 GLU A 60 -15.074 5.902 5.456 1.00 0.00 O ATOM 0 H GLU A 60 -14.555 1.050 7.169 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.304 1.579 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.941 2.717 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.642 3.372 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.517 3.008 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.856 3.946 7.005 1.00 0.00 H new ATOM 477 N LEU A 61 -11.644 0.186 5.750 1.00 0.00 N ATOM 478 CA LEU A 61 -10.352 -0.461 5.383 1.00 0.00 C ATOM 479 C LEU A 61 -10.594 -1.495 4.282 1.00 0.00 C ATOM 480 O LEU A 61 -9.899 -1.529 3.286 1.00 0.00 O ATOM 481 CB LEU A 61 -9.760 -1.153 6.613 1.00 0.00 C ATOM 482 CG LEU A 61 -8.276 -1.437 6.373 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.430 -0.448 7.176 1.00 0.00 C ATOM 484 CD2 LEU A 61 -7.952 -2.864 6.820 1.00 0.00 C ATOM 0 H LEU A 61 -11.916 0.090 6.728 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.656 0.296 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.883 -0.522 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.292 -2.083 6.811 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.053 -1.328 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.373 -0.651 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.660 0.569 6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.653 -0.557 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.895 -3.068 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.176 -2.973 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.554 -3.570 6.248 1.00 0.00 H new ATOM 496 N THR A 62 -11.574 -2.340 4.452 1.00 0.00 N ATOM 497 CA THR A 62 -11.858 -3.370 3.413 1.00 0.00 C ATOM 498 C THR A 62 -12.235 -2.680 2.101 1.00 0.00 C ATOM 499 O THR A 62 -12.024 -3.210 1.028 1.00 0.00 O ATOM 500 CB THR A 62 -13.017 -4.256 3.876 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.811 -3.543 4.814 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.464 -5.523 4.530 1.00 0.00 C ATOM 0 H THR A 62 -12.190 -2.362 5.265 1.00 0.00 H new ATOM 0 HA THR A 62 -10.971 -3.984 3.258 1.00 0.00 H new ATOM 0 HB THR A 62 -13.629 -4.532 3.017 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.194 -2.750 4.383 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.290 -6.153 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.856 -6.069 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.851 -5.251 5.389 1.00 0.00 H new ATOM 510 N LYS A 63 -12.791 -1.502 2.177 1.00 0.00 N ATOM 511 CA LYS A 63 -13.179 -0.781 0.932 1.00 0.00 C ATOM 512 C LYS A 63 -11.918 -0.360 0.175 1.00 0.00 C ATOM 513 O LYS A 63 -11.771 -0.625 -1.002 1.00 0.00 O ATOM 514 CB LYS A 63 -13.996 0.462 1.293 1.00 0.00 C ATOM 515 CG LYS A 63 -14.603 1.060 0.022 1.00 0.00 C ATOM 516 CD LYS A 63 -15.294 2.383 0.358 1.00 0.00 C ATOM 517 CE LYS A 63 -15.724 3.077 -0.936 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.308 4.410 -0.613 1.00 0.00 N ATOM 0 H LYS A 63 -12.993 -1.008 3.046 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.779 -1.439 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.785 0.200 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.360 1.197 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.824 1.223 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.320 0.364 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.162 2.201 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.618 3.026 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.868 3.194 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.456 2.465 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.601 4.883 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.135 4.286 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.596 4.992 -0.127 1.00 0.00 H new ATOM 532 N LEU A 64 -11.004 0.292 0.841 1.00 0.00 N ATOM 533 CA LEU A 64 -9.753 0.726 0.158 1.00 0.00 C ATOM 534 C LEU A 64 -9.010 -0.504 -0.366 1.00 0.00 C ATOM 535 O LEU A 64 -8.368 -0.462 -1.397 1.00 0.00 O ATOM 536 CB LEU A 64 -8.862 1.477 1.150 1.00 0.00 C ATOM 537 CG LEU A 64 -8.395 2.793 0.525 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.589 2.500 -0.742 1.00 0.00 C ATOM 539 CD2 LEU A 64 -9.613 3.647 0.166 1.00 0.00 C ATOM 0 H LEU A 64 -11.070 0.542 1.828 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.002 1.385 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.411 1.675 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.001 0.864 1.418 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.769 3.331 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.257 3.438 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.721 1.891 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.214 1.962 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.281 4.585 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.238 3.108 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.189 3.857 1.068 1.00 0.00 H new ATOM 551 N ALA A 65 -9.094 -1.601 0.335 1.00 0.00 N ATOM 552 CA ALA A 65 -8.395 -2.833 -0.123 1.00 0.00 C ATOM 553 C ALA A 65 -8.995 -3.292 -1.454 1.00 0.00 C ATOM 554 O ALA A 65 -8.292 -3.512 -2.420 1.00 0.00 O ATOM 555 CB ALA A 65 -8.566 -3.936 0.923 1.00 0.00 C ATOM 0 H ALA A 65 -9.617 -1.697 1.206 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.334 -2.622 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.054 -4.838 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.139 -3.608 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.627 -4.149 1.057 1.00 0.00 H new ATOM 561 N ALA A 66 -10.290 -3.436 -1.513 1.00 0.00 N ATOM 562 CA ALA A 66 -10.933 -3.876 -2.782 1.00 0.00 C ATOM 563 C ALA A 66 -10.719 -2.807 -3.855 1.00 0.00 C ATOM 564 O ALA A 66 -10.781 -3.079 -5.038 1.00 0.00 O ATOM 565 CB ALA A 66 -12.433 -4.076 -2.552 1.00 0.00 C ATOM 0 H ALA A 66 -10.930 -3.268 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.489 -4.816 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.904 -4.398 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.585 -4.836 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.879 -3.137 -2.226 1.00 0.00 H new ATOM 571 N GLU A 67 -10.466 -1.592 -3.452 1.00 0.00 N ATOM 572 CA GLU A 67 -10.246 -0.507 -4.448 1.00 0.00 C ATOM 573 C GLU A 67 -8.936 -0.761 -5.196 1.00 0.00 C ATOM 574 O GLU A 67 -8.905 -0.828 -6.409 1.00 0.00 O ATOM 575 CB GLU A 67 -10.170 0.841 -3.727 1.00 0.00 C ATOM 576 CG GLU A 67 -11.172 1.813 -4.354 1.00 0.00 C ATOM 577 CD GLU A 67 -10.469 3.132 -4.680 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.567 3.498 -3.945 1.00 0.00 O ATOM 579 OE2 GLU A 67 -10.846 3.755 -5.659 1.00 0.00 O ATOM 0 H GLU A 67 -10.402 -1.304 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.073 -0.492 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.388 0.711 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.161 1.247 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.595 1.381 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.001 1.990 -3.668 1.00 0.00 H new ATOM 586 N LEU A 68 -7.852 -0.906 -4.483 1.00 0.00 N ATOM 587 CA LEU A 68 -6.547 -1.158 -5.155 1.00 0.00 C ATOM 588 C LEU A 68 -6.554 -2.560 -5.771 1.00 0.00 C ATOM 589 O LEU A 68 -5.810 -2.850 -6.687 1.00 0.00 O ATOM 590 CB LEU A 68 -5.415 -1.056 -4.131 1.00 0.00 C ATOM 591 CG LEU A 68 -4.965 0.401 -4.010 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.633 1.045 -2.794 1.00 0.00 C ATOM 593 CD2 LEU A 68 -3.445 0.451 -3.838 1.00 0.00 C ATOM 0 H LEU A 68 -7.815 -0.861 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.393 -0.416 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.752 -1.425 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.577 -1.682 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.250 0.944 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.311 2.083 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.716 1.009 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.348 0.502 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.123 1.489 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.163 -0.093 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.966 -0.007 -4.703 1.00 0.00 H new ATOM 605 N LYS A 69 -7.391 -3.431 -5.276 1.00 0.00 N ATOM 606 CA LYS A 69 -7.448 -4.813 -5.833 1.00 0.00 C ATOM 607 C LYS A 69 -8.075 -4.776 -7.228 1.00 0.00 C ATOM 608 O LYS A 69 -7.676 -5.501 -8.118 1.00 0.00 O ATOM 609 CB LYS A 69 -8.297 -5.696 -4.916 1.00 0.00 C ATOM 610 CG LYS A 69 -8.317 -7.128 -5.457 1.00 0.00 C ATOM 611 CD LYS A 69 -9.722 -7.462 -5.964 1.00 0.00 C ATOM 612 CE LYS A 69 -10.195 -8.772 -5.331 1.00 0.00 C ATOM 613 NZ LYS A 69 -11.353 -8.499 -4.433 1.00 0.00 N ATOM 0 H LYS A 69 -8.038 -3.245 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.439 -5.220 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.891 -5.684 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.313 -5.305 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.593 -7.233 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.025 -7.828 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.411 -6.655 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.716 -7.552 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.482 -9.481 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.383 -9.230 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.675 -9.389 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.064 -7.837 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.129 -8.080 -4.985 1.00 0.00 H new ATOM 627 N LYS A 70 -9.054 -3.938 -7.426 1.00 0.00 N ATOM 628 CA LYS A 70 -9.708 -3.855 -8.763 1.00 0.00 C ATOM 629 C LYS A 70 -8.727 -3.253 -9.773 1.00 0.00 C ATOM 630 O LYS A 70 -8.948 -3.294 -10.967 1.00 0.00 O ATOM 631 CB LYS A 70 -10.947 -2.964 -8.663 1.00 0.00 C ATOM 632 CG LYS A 70 -12.061 -3.532 -9.544 1.00 0.00 C ATOM 633 CD LYS A 70 -13.418 -3.138 -8.961 1.00 0.00 C ATOM 634 CE LYS A 70 -14.536 -3.676 -9.854 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.845 -3.140 -9.387 1.00 0.00 N ATOM 0 H LYS A 70 -9.430 -3.306 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.000 -4.853 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.283 -2.906 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.703 -1.949 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.965 -3.152 -10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.978 -4.617 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.521 -3.537 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.491 -2.053 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.360 -3.385 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.546 -4.766 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.606 -3.506 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.012 -3.438 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.832 -2.101 -9.436 1.00 0.00 H new ATOM 649 N LYS A 71 -7.648 -2.691 -9.302 1.00 0.00 N ATOM 650 CA LYS A 71 -6.655 -2.082 -10.233 1.00 0.00 C ATOM 651 C LYS A 71 -5.845 -3.183 -10.920 1.00 0.00 C ATOM 652 O LYS A 71 -5.275 -2.979 -11.973 1.00 0.00 O ATOM 653 CB LYS A 71 -5.707 -1.177 -9.443 1.00 0.00 C ATOM 654 CG LYS A 71 -6.389 0.163 -9.166 1.00 0.00 C ATOM 655 CD LYS A 71 -5.421 1.080 -8.417 1.00 0.00 C ATOM 656 CE LYS A 71 -6.048 2.465 -8.256 1.00 0.00 C ATOM 657 NZ LYS A 71 -5.223 3.468 -8.986 1.00 0.00 N ATOM 0 H LYS A 71 -7.410 -2.627 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.182 -1.497 -10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.429 -1.656 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.787 -1.019 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.696 0.628 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.292 0.009 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.188 0.659 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.481 1.157 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.066 2.463 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.110 2.728 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.545 4.426 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.225 3.359 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.323 3.320 -10.011 1.00 0.00 H new ATOM 671 N CYS A 72 -5.779 -4.345 -10.330 1.00 0.00 N ATOM 672 CA CYS A 72 -4.992 -5.450 -10.950 1.00 0.00 C ATOM 673 C CYS A 72 -5.935 -6.460 -11.606 1.00 0.00 C ATOM 674 O CYS A 72 -5.617 -7.050 -12.620 1.00 0.00 O ATOM 675 CB CYS A 72 -4.169 -6.152 -9.869 1.00 0.00 C ATOM 676 SG CYS A 72 -2.409 -6.008 -10.263 1.00 0.00 S ATOM 0 H CYS A 72 -6.235 -4.577 -9.447 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.329 -5.036 -11.709 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.372 -5.706 -8.895 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.454 -7.202 -9.805 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.708 -6.603 -9.343 1.00 0.00 H new ATOM 682 N GLY A 73 -7.087 -6.673 -11.035 1.00 0.00 N ATOM 683 CA GLY A 73 -8.035 -7.657 -11.629 1.00 0.00 C ATOM 684 C GLY A 73 -7.548 -9.069 -11.301 1.00 0.00 C ATOM 685 O GLY A 73 -7.729 -9.995 -12.066 1.00 0.00 O ATOM 0 H GLY A 73 -7.413 -6.211 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.038 -7.502 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.095 -7.519 -12.709 1.00 0.00 H new ATOM 689 N CYS A 74 -6.923 -9.234 -10.167 1.00 0.00 N ATOM 690 CA CYS A 74 -6.412 -10.577 -9.778 1.00 0.00 C ATOM 691 C CYS A 74 -5.465 -10.427 -8.585 1.00 0.00 C ATOM 692 O CYS A 74 -4.834 -9.404 -8.408 1.00 0.00 O ATOM 693 CB CYS A 74 -5.653 -11.195 -10.954 1.00 0.00 C ATOM 694 SG CYS A 74 -6.407 -12.780 -11.393 1.00 0.00 S ATOM 0 H CYS A 74 -6.744 -8.492 -9.491 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.247 -11.223 -9.507 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.675 -10.520 -11.810 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.606 -11.339 -10.689 1.00 0.00 H new ATOM 0 HG CYS A 74 -5.764 -13.304 -12.394 1.00 0.00 H new ATOM 700 N GLY A 75 -5.357 -11.438 -7.768 1.00 0.00 N ATOM 701 CA GLY A 75 -4.448 -11.351 -6.590 1.00 0.00 C ATOM 702 C GLY A 75 -4.990 -10.324 -5.593 1.00 0.00 C ATOM 703 O GLY A 75 -5.213 -9.176 -5.926 1.00 0.00 O ATOM 0 H GLY A 75 -5.859 -12.321 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.363 -12.327 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.446 -11.066 -6.912 1.00 0.00 H new ATOM 707 N GLY A 76 -5.204 -10.728 -4.371 1.00 0.00 N ATOM 708 CA GLY A 76 -5.730 -9.775 -3.354 1.00 0.00 C ATOM 709 C GLY A 76 -5.750 -10.443 -1.977 1.00 0.00 C ATOM 710 O GLY A 76 -6.708 -11.092 -1.603 1.00 0.00 O ATOM 0 H GLY A 76 -5.037 -11.676 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.108 -8.880 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.736 -9.456 -3.628 1.00 0.00 H new ATOM 714 N ALA A 77 -4.703 -10.282 -1.215 1.00 0.00 N ATOM 715 CA ALA A 77 -4.663 -10.899 0.141 1.00 0.00 C ATOM 716 C ALA A 77 -4.903 -9.813 1.192 1.00 0.00 C ATOM 717 O ALA A 77 -4.196 -8.827 1.250 1.00 0.00 O ATOM 718 CB ALA A 77 -3.293 -11.539 0.373 1.00 0.00 C ATOM 0 H ALA A 77 -3.873 -9.749 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.435 -11.664 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.265 -11.990 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.118 -12.308 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.518 -10.776 0.299 1.00 0.00 H new ATOM 724 N VAL A 78 -5.895 -9.981 2.021 1.00 0.00 N ATOM 725 CA VAL A 78 -6.172 -8.951 3.061 1.00 0.00 C ATOM 726 C VAL A 78 -5.832 -9.514 4.442 1.00 0.00 C ATOM 727 O VAL A 78 -5.574 -10.690 4.597 1.00 0.00 O ATOM 728 CB VAL A 78 -7.652 -8.564 3.018 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.990 -7.984 1.643 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.510 -9.805 3.271 1.00 0.00 C ATOM 0 H VAL A 78 -6.524 -10.784 2.024 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.561 -8.069 2.868 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.854 -7.818 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.044 -7.709 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.379 -7.100 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.788 -8.730 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.564 -9.531 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.307 -10.551 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.271 -10.219 4.251 1.00 0.00 H new ATOM 740 N LYS A 79 -5.830 -8.682 5.446 1.00 0.00 N ATOM 741 CA LYS A 79 -5.508 -9.169 6.816 1.00 0.00 C ATOM 742 C LYS A 79 -6.061 -8.184 7.847 1.00 0.00 C ATOM 743 O LYS A 79 -6.447 -7.079 7.519 1.00 0.00 O ATOM 744 CB LYS A 79 -3.990 -9.282 6.975 1.00 0.00 C ATOM 745 CG LYS A 79 -3.542 -10.693 6.588 1.00 0.00 C ATOM 746 CD LYS A 79 -2.128 -10.945 7.117 1.00 0.00 C ATOM 747 CE LYS A 79 -1.935 -12.442 7.366 1.00 0.00 C ATOM 748 NZ LYS A 79 -1.121 -13.030 6.264 1.00 0.00 N ATOM 0 H LYS A 79 -6.037 -7.686 5.377 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.960 -10.149 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.492 -8.545 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.704 -9.067 8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.232 -11.430 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.562 -10.807 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.390 -10.587 6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.969 -10.389 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.439 -12.601 8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.903 -12.940 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.990 -14.048 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.612 -12.891 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.193 -12.562 6.231 1.00 0.00 H new ATOM 762 N ASP A 80 -6.107 -8.574 9.090 1.00 0.00 N ATOM 763 CA ASP A 80 -6.640 -7.659 10.138 1.00 0.00 C ATOM 764 C ASP A 80 -5.735 -6.430 10.254 1.00 0.00 C ATOM 765 O ASP A 80 -4.687 -6.474 10.867 1.00 0.00 O ATOM 766 CB ASP A 80 -6.683 -8.391 11.481 1.00 0.00 C ATOM 767 CG ASP A 80 -7.799 -9.438 11.455 1.00 0.00 C ATOM 768 OD1 ASP A 80 -8.907 -9.085 11.087 1.00 0.00 O ATOM 769 OD2 ASP A 80 -7.525 -10.574 11.804 1.00 0.00 O ATOM 0 H ASP A 80 -5.799 -9.486 9.426 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.647 -7.342 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.724 -8.871 11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.855 -7.680 12.289 1.00 0.00 H new ATOM 774 N GLY A 81 -6.134 -5.333 9.670 1.00 0.00 N ATOM 775 CA GLY A 81 -5.300 -4.100 9.748 1.00 0.00 C ATOM 776 C GLY A 81 -4.089 -4.235 8.823 1.00 0.00 C ATOM 777 O GLY A 81 -3.241 -3.366 8.767 1.00 0.00 O ATOM 0 H GLY A 81 -7.002 -5.237 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.892 -3.231 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.969 -3.938 10.774 1.00 0.00 H new ATOM 781 N VAL A 82 -3.997 -5.315 8.096 1.00 0.00 N ATOM 782 CA VAL A 82 -2.836 -5.497 7.180 1.00 0.00 C ATOM 783 C VAL A 82 -3.338 -5.872 5.783 1.00 0.00 C ATOM 784 O VAL A 82 -4.286 -6.616 5.632 1.00 0.00 O ATOM 785 CB VAL A 82 -1.937 -6.611 7.715 1.00 0.00 C ATOM 786 CG1 VAL A 82 -0.774 -6.839 6.747 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.387 -6.209 9.086 1.00 0.00 C ATOM 0 H VAL A 82 -4.674 -6.078 8.097 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.270 -4.567 7.123 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.516 -7.530 7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.133 -7.634 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.164 -7.126 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.195 -5.920 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.746 -7.003 9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.809 -5.290 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.214 -6.047 9.777 1.00 0.00 H new ATOM 797 N ILE A 83 -2.706 -5.362 4.761 1.00 0.00 N ATOM 798 CA ILE A 83 -3.144 -5.690 3.374 1.00 0.00 C ATOM 799 C ILE A 83 -1.927 -6.089 2.536 1.00 0.00 C ATOM 800 O ILE A 83 -0.803 -5.757 2.859 1.00 0.00 O ATOM 801 CB ILE A 83 -3.815 -4.465 2.749 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.973 -4.010 3.640 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.350 -4.827 1.362 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.408 -2.601 3.234 1.00 0.00 C ATOM 0 H ILE A 83 -1.906 -4.733 4.826 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.853 -6.518 3.402 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.087 -3.659 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.811 -4.701 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.666 -4.020 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.828 -3.954 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.526 -5.152 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.078 -5.633 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.233 -2.278 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.570 -1.914 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.732 -2.606 2.193 1.00 0.00 H new ATOM 816 N GLU A 84 -2.140 -6.800 1.463 1.00 0.00 N ATOM 817 CA GLU A 84 -0.994 -7.220 0.607 1.00 0.00 C ATOM 818 C GLU A 84 -1.446 -7.295 -0.853 1.00 0.00 C ATOM 819 O GLU A 84 -2.528 -7.758 -1.156 1.00 0.00 O ATOM 820 CB GLU A 84 -0.501 -8.597 1.057 1.00 0.00 C ATOM 821 CG GLU A 84 0.969 -8.766 0.666 1.00 0.00 C ATOM 822 CD GLU A 84 1.352 -10.245 0.748 1.00 0.00 C ATOM 823 OE1 GLU A 84 0.600 -10.999 1.345 1.00 0.00 O ATOM 824 OE2 GLU A 84 2.390 -10.598 0.214 1.00 0.00 O ATOM 0 H GLU A 84 -3.058 -7.108 1.142 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.186 -6.494 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.616 -8.701 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.103 -9.379 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.133 -8.392 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.603 -8.178 1.330 1.00 0.00 H new ATOM 831 N ILE A 85 -0.624 -6.845 -1.762 1.00 0.00 N ATOM 832 CA ILE A 85 -1.006 -6.893 -3.202 1.00 0.00 C ATOM 833 C ILE A 85 0.253 -7.052 -4.056 1.00 0.00 C ATOM 834 O ILE A 85 0.989 -6.111 -4.277 1.00 0.00 O ATOM 835 CB ILE A 85 -1.722 -5.596 -3.585 1.00 0.00 C ATOM 836 CG1 ILE A 85 -3.119 -5.584 -2.961 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.846 -5.510 -5.108 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.817 -4.265 -3.296 1.00 0.00 C ATOM 0 H ILE A 85 0.295 -6.446 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.672 -7.738 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.150 -4.744 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.704 -6.423 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.047 -5.705 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.356 -4.586 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.852 -5.521 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.418 -6.362 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.812 -4.257 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.235 -3.434 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.902 -4.163 -4.378 1.00 0.00 H new ATOM 850 N GLN A 86 0.507 -8.237 -4.539 1.00 0.00 N ATOM 851 CA GLN A 86 1.718 -8.457 -5.378 1.00 0.00 C ATOM 852 C GLN A 86 1.741 -7.438 -6.519 1.00 0.00 C ATOM 853 O GLN A 86 0.942 -7.497 -7.433 1.00 0.00 O ATOM 854 CB GLN A 86 1.685 -9.872 -5.958 1.00 0.00 C ATOM 855 CG GLN A 86 2.398 -10.831 -5.004 1.00 0.00 C ATOM 856 CD GLN A 86 2.122 -12.274 -5.429 1.00 0.00 C ATOM 857 OE1 GLN A 86 1.092 -12.563 -6.005 1.00 0.00 O ATOM 858 NE2 GLN A 86 3.006 -13.198 -5.168 1.00 0.00 N ATOM 0 H GLN A 86 -0.072 -9.063 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 86 2.611 -8.336 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.654 -10.191 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.168 -9.887 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.471 -10.637 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 86 2.052 -10.669 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.870 -12.955 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.832 -14.163 -5.448 1.00 0.00 H new ATOM 867 N GLY A 87 2.650 -6.503 -6.474 1.00 0.00 N ATOM 868 CA GLY A 87 2.724 -5.482 -7.556 1.00 0.00 C ATOM 869 C GLY A 87 4.147 -4.928 -7.640 1.00 0.00 C ATOM 870 O GLY A 87 5.039 -5.376 -6.948 1.00 0.00 O ATOM 0 H GLY A 87 3.345 -6.402 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.439 -5.926 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.019 -4.674 -7.357 1.00 0.00 H new ATOM 874 N ASP A 88 4.367 -3.957 -8.484 1.00 0.00 N ATOM 875 CA ASP A 88 5.733 -3.376 -8.611 1.00 0.00 C ATOM 876 C ASP A 88 5.629 -1.936 -9.118 1.00 0.00 C ATOM 877 O ASP A 88 6.321 -1.539 -10.035 1.00 0.00 O ATOM 878 CB ASP A 88 6.551 -4.208 -9.601 1.00 0.00 C ATOM 879 CG ASP A 88 7.847 -4.671 -8.932 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.356 -3.938 -8.100 1.00 0.00 O ATOM 881 OD2 ASP A 88 8.308 -5.751 -9.263 1.00 0.00 O ATOM 0 H ASP A 88 3.660 -3.541 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 88 6.224 -3.384 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.972 -5.070 -9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.778 -3.617 -10.488 1.00 0.00 H new ATOM 886 N LYS A 89 4.769 -1.151 -8.529 1.00 0.00 N ATOM 887 CA LYS A 89 4.622 0.262 -8.979 1.00 0.00 C ATOM 888 C LYS A 89 4.501 1.176 -7.758 1.00 0.00 C ATOM 889 O LYS A 89 3.654 2.046 -7.703 1.00 0.00 O ATOM 890 CB LYS A 89 3.365 0.394 -9.841 1.00 0.00 C ATOM 891 CG LYS A 89 3.750 0.317 -11.320 1.00 0.00 C ATOM 892 CD LYS A 89 2.490 0.414 -12.182 1.00 0.00 C ATOM 893 CE LYS A 89 2.884 0.472 -13.659 1.00 0.00 C ATOM 894 NZ LYS A 89 1.658 0.401 -14.503 1.00 0.00 N ATOM 0 H LYS A 89 4.163 -1.427 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 89 5.496 0.550 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.658 -0.399 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.866 1.341 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.437 1.125 -11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.271 -0.619 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.845 -0.446 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.920 1.303 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.428 1.394 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.553 -0.354 -13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.925 0.440 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.157 -0.490 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.035 1.203 -14.279 1.00 0.00 H new ATOM 908 N ARG A 90 5.342 0.987 -6.778 1.00 0.00 N ATOM 909 CA ARG A 90 5.273 1.846 -5.562 1.00 0.00 C ATOM 910 C ARG A 90 5.261 3.319 -5.978 1.00 0.00 C ATOM 911 O ARG A 90 4.549 4.127 -5.415 1.00 0.00 O ATOM 912 CB ARG A 90 6.492 1.576 -4.677 1.00 0.00 C ATOM 913 CG ARG A 90 7.751 2.106 -5.365 1.00 0.00 C ATOM 914 CD ARG A 90 8.976 1.786 -4.507 1.00 0.00 C ATOM 915 NE ARG A 90 10.215 2.051 -5.291 1.00 0.00 N ATOM 916 CZ ARG A 90 11.385 1.873 -4.742 1.00 0.00 C ATOM 917 NH1 ARG A 90 11.538 2.051 -3.458 1.00 0.00 N ATOM 918 NH2 ARG A 90 12.404 1.517 -5.476 1.00 0.00 N ATOM 0 H ARG A 90 6.073 0.276 -6.767 1.00 0.00 H new ATOM 0 HA ARG A 90 4.363 1.618 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.365 2.058 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.590 0.506 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.857 1.654 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.670 3.183 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.968 2.394 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.949 0.743 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 90 10.148 2.372 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.743 2.329 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.453 1.912 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.286 1.378 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.318 1.378 -5.046 1.00 0.00 H new ATOM 932 N ASP A 91 6.043 3.674 -6.961 1.00 0.00 N ATOM 933 CA ASP A 91 6.075 5.094 -7.412 1.00 0.00 C ATOM 934 C ASP A 91 4.647 5.580 -7.668 1.00 0.00 C ATOM 935 O ASP A 91 4.266 6.659 -7.260 1.00 0.00 O ATOM 936 CB ASP A 91 6.890 5.200 -8.703 1.00 0.00 C ATOM 937 CG ASP A 91 6.193 4.412 -9.814 1.00 0.00 C ATOM 938 OD1 ASP A 91 6.268 3.195 -9.785 1.00 0.00 O ATOM 939 OD2 ASP A 91 5.597 5.039 -10.674 1.00 0.00 O ATOM 0 H ASP A 91 6.661 3.042 -7.471 1.00 0.00 H new ATOM 0 HA ASP A 91 6.535 5.711 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.994 6.245 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.896 4.812 -8.543 1.00 0.00 H new ATOM 944 N LEU A 92 3.854 4.792 -8.342 1.00 0.00 N ATOM 945 CA LEU A 92 2.452 5.211 -8.623 1.00 0.00 C ATOM 946 C LEU A 92 1.655 5.236 -7.317 1.00 0.00 C ATOM 947 O LEU A 92 0.950 6.182 -7.027 1.00 0.00 O ATOM 948 CB LEU A 92 1.809 4.218 -9.594 1.00 0.00 C ATOM 949 CG LEU A 92 0.311 4.507 -9.702 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.147 4.299 -11.146 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.459 3.556 -8.782 1.00 0.00 C ATOM 0 H LEU A 92 4.116 3.877 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 92 2.452 6.206 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.277 4.298 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.969 3.197 -9.246 1.00 0.00 H new ATOM 0 HG LEU A 92 0.118 5.538 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.215 4.505 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.401 4.975 -11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.046 3.268 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.527 3.761 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.265 2.525 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.134 3.703 -7.752 1.00 0.00 H new ATOM 963 N LEU A 93 1.762 4.204 -6.525 1.00 0.00 N ATOM 964 CA LEU A 93 1.011 4.170 -5.239 1.00 0.00 C ATOM 965 C LEU A 93 1.334 5.426 -4.426 1.00 0.00 C ATOM 966 O LEU A 93 0.561 5.853 -3.592 1.00 0.00 O ATOM 967 CB LEU A 93 1.418 2.928 -4.443 1.00 0.00 C ATOM 968 CG LEU A 93 0.958 1.673 -5.186 1.00 0.00 C ATOM 969 CD1 LEU A 93 1.835 0.488 -4.779 1.00 0.00 C ATOM 970 CD2 LEU A 93 -0.500 1.374 -4.826 1.00 0.00 C ATOM 0 H LEU A 93 2.337 3.383 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.059 4.135 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.499 2.908 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.973 2.958 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 93 1.043 1.836 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.507 -0.406 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.874 0.700 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.750 0.325 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.829 0.480 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.583 1.211 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.127 2.218 -5.115 1.00 0.00 H new ATOM 982 N LYS A 94 2.472 6.020 -4.663 1.00 0.00 N ATOM 983 CA LYS A 94 2.843 7.247 -3.903 1.00 0.00 C ATOM 984 C LYS A 94 1.816 8.348 -4.179 1.00 0.00 C ATOM 985 O LYS A 94 1.094 8.771 -3.299 1.00 0.00 O ATOM 986 CB LYS A 94 4.229 7.720 -4.344 1.00 0.00 C ATOM 987 CG LYS A 94 4.790 8.696 -3.308 1.00 0.00 C ATOM 988 CD LYS A 94 5.198 9.998 -4.000 1.00 0.00 C ATOM 989 CE LYS A 94 6.512 10.504 -3.402 1.00 0.00 C ATOM 990 NZ LYS A 94 6.548 11.993 -3.470 1.00 0.00 N ATOM 0 H LYS A 94 3.160 5.709 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 94 2.858 7.023 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.898 6.866 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.166 8.204 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.042 8.898 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.650 8.254 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.314 9.832 -5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.417 10.748 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.604 10.174 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.358 10.084 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.441 12.338 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.479 12.297 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.749 12.385 -2.932 1.00 0.00 H new ATOM 1004 N SER A 95 1.746 8.815 -5.396 1.00 0.00 N ATOM 1005 CA SER A 95 0.766 9.888 -5.726 1.00 0.00 C ATOM 1006 C SER A 95 -0.656 9.353 -5.545 1.00 0.00 C ATOM 1007 O SER A 95 -1.605 10.105 -5.449 1.00 0.00 O ATOM 1008 CB SER A 95 0.964 10.329 -7.177 1.00 0.00 C ATOM 1009 OG SER A 95 -0.164 11.087 -7.594 1.00 0.00 O ATOM 0 H SER A 95 2.324 8.500 -6.175 1.00 0.00 H new ATOM 0 HA SER A 95 0.921 10.739 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.872 10.926 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.090 9.458 -7.820 1.00 0.00 H new ATOM 0 HG SER A 95 -0.041 11.373 -8.523 1.00 0.00 H new ATOM 1015 N LEU A 96 -0.810 8.058 -5.498 1.00 0.00 N ATOM 1016 CA LEU A 96 -2.171 7.476 -5.323 1.00 0.00 C ATOM 1017 C LEU A 96 -2.706 7.837 -3.935 1.00 0.00 C ATOM 1018 O LEU A 96 -3.767 8.413 -3.799 1.00 0.00 O ATOM 1019 CB LEU A 96 -2.095 5.953 -5.461 1.00 0.00 C ATOM 1020 CG LEU A 96 -3.410 5.330 -4.990 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.764 4.144 -5.889 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -3.254 4.846 -3.546 1.00 0.00 C ATOM 0 H LEU A 96 -0.053 7.378 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.839 7.877 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.903 5.681 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.265 5.565 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.205 6.074 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.701 3.700 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.873 4.487 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.970 3.399 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.190 4.402 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.460 4.101 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.001 5.690 -2.905 1.00 0.00 H new ATOM 1034 N LEU A 97 -1.979 7.503 -2.904 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.447 7.827 -1.527 1.00 0.00 C ATOM 1036 C LEU A 97 -2.376 9.339 -1.306 1.00 0.00 C ATOM 1037 O LEU A 97 -3.234 9.925 -0.676 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.554 7.120 -0.505 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.417 6.251 0.412 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -3.444 7.129 1.129 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.144 5.195 -0.423 1.00 0.00 C ATOM 0 H LEU A 97 -1.082 7.020 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.476 7.490 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.814 6.504 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.005 7.855 0.084 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.782 5.759 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.059 6.510 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.927 7.882 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.079 7.621 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.759 4.575 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.779 5.687 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.413 4.569 -0.934 1.00 0.00 H new ATOM 1053 N GLU A 98 -1.360 9.976 -1.820 1.00 0.00 N ATOM 1054 CA GLU A 98 -1.236 11.450 -1.638 1.00 0.00 C ATOM 1055 C GLU A 98 -2.400 12.151 -2.341 1.00 0.00 C ATOM 1056 O GLU A 98 -2.713 13.291 -2.058 1.00 0.00 O ATOM 1057 CB GLU A 98 0.087 11.929 -2.240 1.00 0.00 C ATOM 1058 CG GLU A 98 0.895 12.670 -1.174 1.00 0.00 C ATOM 1059 CD GLU A 98 1.899 13.605 -1.851 1.00 0.00 C ATOM 1060 OE1 GLU A 98 1.942 13.612 -3.070 1.00 0.00 O ATOM 1061 OE2 GLU A 98 2.606 14.299 -1.139 1.00 0.00 O ATOM 0 H GLU A 98 -0.611 9.540 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.258 11.688 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.656 11.079 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.104 12.586 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.228 13.242 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.419 11.956 -0.538 1.00 0.00 H new ATOM 1068 N ALA A 99 -3.044 11.479 -3.255 1.00 0.00 N ATOM 1069 CA ALA A 99 -4.187 12.108 -3.975 1.00 0.00 C ATOM 1070 C ALA A 99 -5.337 12.348 -2.994 1.00 0.00 C ATOM 1071 O ALA A 99 -6.095 13.289 -3.129 1.00 0.00 O ATOM 1072 CB ALA A 99 -4.658 11.179 -5.095 1.00 0.00 C ATOM 0 H ALA A 99 -2.828 10.522 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.869 13.059 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.494 11.639 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.839 11.007 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.977 10.228 -4.669 1.00 0.00 H new ATOM 1078 N LYS A 100 -5.474 11.505 -2.008 1.00 0.00 N ATOM 1079 CA LYS A 100 -6.575 11.685 -1.021 1.00 0.00 C ATOM 1080 C LYS A 100 -6.174 12.750 0.002 1.00 0.00 C ATOM 1081 O LYS A 100 -6.996 13.261 0.736 1.00 0.00 O ATOM 1082 CB LYS A 100 -6.838 10.361 -0.301 1.00 0.00 C ATOM 1083 CG LYS A 100 -7.449 9.359 -1.282 1.00 0.00 C ATOM 1084 CD LYS A 100 -6.503 8.168 -1.452 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.291 6.958 -1.956 1.00 0.00 C ATOM 1086 NZ LYS A 100 -7.482 7.069 -3.430 1.00 0.00 N ATOM 0 H LYS A 100 -4.871 10.699 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.479 12.002 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.908 9.966 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.513 10.520 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.417 9.018 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.624 9.838 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.710 8.418 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.023 7.933 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.758 6.038 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.258 6.906 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.018 6.247 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.007 7.940 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.554 7.098 -3.899 1.00 0.00 H new ATOM 1100 N GLY A 101 -4.915 13.090 0.055 1.00 0.00 N ATOM 1101 CA GLY A 101 -4.462 14.122 1.031 1.00 0.00 C ATOM 1102 C GLY A 101 -3.806 13.438 2.231 1.00 0.00 C ATOM 1103 O GLY A 101 -3.154 14.071 3.038 1.00 0.00 O ATOM 0 H GLY A 101 -4.181 12.698 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.755 14.802 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.310 14.723 1.360 1.00 0.00 H new ATOM 1107 N MET A 102 -3.973 12.150 2.356 1.00 0.00 N ATOM 1108 CA MET A 102 -3.359 11.427 3.505 1.00 0.00 C ATOM 1109 C MET A 102 -1.834 11.482 3.385 1.00 0.00 C ATOM 1110 O MET A 102 -1.288 11.499 2.300 1.00 0.00 O ATOM 1111 CB MET A 102 -3.819 9.968 3.496 1.00 0.00 C ATOM 1112 CG MET A 102 -5.288 9.894 3.915 1.00 0.00 C ATOM 1113 SD MET A 102 -5.523 8.498 5.043 1.00 0.00 S ATOM 1114 CE MET A 102 -6.193 7.335 3.828 1.00 0.00 C ATOM 0 H MET A 102 -4.508 11.567 1.712 1.00 0.00 H new ATOM 0 HA MET A 102 -3.668 11.899 4.438 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.692 9.542 2.501 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.205 9.378 4.177 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.586 10.823 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.923 9.777 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.897 6.320 4.094 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.281 7.405 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.805 7.578 2.839 1.00 0.00 H new ATOM 1124 N LYS A 103 -1.143 11.509 4.492 1.00 0.00 N ATOM 1125 CA LYS A 103 0.345 11.562 4.440 1.00 0.00 C ATOM 1126 C LYS A 103 0.898 10.153 4.221 1.00 0.00 C ATOM 1127 O LYS A 103 0.742 9.278 5.050 1.00 0.00 O ATOM 1128 CB LYS A 103 0.882 12.122 5.759 1.00 0.00 C ATOM 1129 CG LYS A 103 0.697 13.640 5.783 1.00 0.00 C ATOM 1130 CD LYS A 103 0.408 14.097 7.214 1.00 0.00 C ATOM 1131 CE LYS A 103 -0.411 15.389 7.183 1.00 0.00 C ATOM 1132 NZ LYS A 103 -0.102 16.203 8.392 1.00 0.00 N ATOM 0 H LYS A 103 -1.545 11.497 5.430 1.00 0.00 H new ATOM 0 HA LYS A 103 0.657 12.206 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.357 11.668 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.937 11.872 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.594 14.132 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.124 13.927 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.137 13.321 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.343 14.259 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.181 15.956 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.475 15.157 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.659 17.081 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.343 15.661 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.912 16.436 8.404 1.00 0.00 H new ATOM 1146 N VAL A 104 1.544 9.925 3.110 1.00 0.00 N ATOM 1147 CA VAL A 104 2.107 8.572 2.840 1.00 0.00 C ATOM 1148 C VAL A 104 3.633 8.628 2.921 1.00 0.00 C ATOM 1149 O VAL A 104 4.237 9.664 2.725 1.00 0.00 O ATOM 1150 CB VAL A 104 1.687 8.115 1.442 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.077 9.182 0.417 1.00 0.00 C ATOM 1152 CG2 VAL A 104 2.394 6.801 1.102 1.00 0.00 C ATOM 0 H VAL A 104 1.706 10.617 2.378 1.00 0.00 H new ATOM 0 HA VAL A 104 1.730 7.868 3.582 1.00 0.00 H new ATOM 0 HB VAL A 104 0.608 7.965 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.778 8.856 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.575 10.119 0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.156 9.332 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.095 6.474 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.473 6.952 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.118 6.040 1.832 1.00 0.00 H new ATOM 1162 N LYS A 105 4.263 7.522 3.209 1.00 0.00 N ATOM 1163 CA LYS A 105 5.750 7.514 3.303 1.00 0.00 C ATOM 1164 C LYS A 105 6.318 6.494 2.314 1.00 0.00 C ATOM 1165 O LYS A 105 6.494 5.335 2.635 1.00 0.00 O ATOM 1166 CB LYS A 105 6.170 7.135 4.724 1.00 0.00 C ATOM 1167 CG LYS A 105 7.244 8.106 5.217 1.00 0.00 C ATOM 1168 CD LYS A 105 8.412 7.318 5.813 1.00 0.00 C ATOM 1169 CE LYS A 105 9.460 8.290 6.357 1.00 0.00 C ATOM 1170 NZ LYS A 105 9.181 8.567 7.794 1.00 0.00 N ATOM 0 H LYS A 105 3.812 6.624 3.383 1.00 0.00 H new ATOM 0 HA LYS A 105 6.134 8.506 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.307 7.163 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.552 6.114 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.594 8.727 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.825 8.778 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.055 6.667 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.857 6.676 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.458 7.866 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.442 9.218 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.893 9.228 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.235 8.988 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.220 7.678 8.333 1.00 0.00 H new ATOM 1184 N LEU A 106 6.605 6.915 1.112 1.00 0.00 N ATOM 1185 CA LEU A 106 7.161 5.968 0.105 1.00 0.00 C ATOM 1186 C LEU A 106 8.403 5.284 0.679 1.00 0.00 C ATOM 1187 O LEU A 106 9.504 5.788 0.578 1.00 0.00 O ATOM 1188 CB LEU A 106 7.542 6.738 -1.162 1.00 0.00 C ATOM 1189 CG LEU A 106 7.804 5.750 -2.300 1.00 0.00 C ATOM 1190 CD1 LEU A 106 6.487 5.097 -2.724 1.00 0.00 C ATOM 1191 CD2 LEU A 106 8.409 6.496 -3.491 1.00 0.00 C ATOM 0 H LEU A 106 6.479 7.873 0.785 1.00 0.00 H new ATOM 0 HA LEU A 106 6.412 5.215 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.741 7.423 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.430 7.343 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 106 8.497 4.980 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.674 4.393 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.054 4.567 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.793 5.865 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.597 5.794 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.715 7.265 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.348 6.962 -3.190 1.00 0.00 H new ATOM 1203 N ALA A 107 8.235 4.138 1.280 1.00 0.00 N ATOM 1204 CA ALA A 107 9.407 3.422 1.860 1.00 0.00 C ATOM 1205 C ALA A 107 10.242 2.813 0.732 1.00 0.00 C ATOM 1206 O ALA A 107 10.126 3.196 -0.415 1.00 0.00 O ATOM 1207 CB ALA A 107 8.917 2.310 2.790 1.00 0.00 C ATOM 0 H ALA A 107 7.338 3.667 1.395 1.00 0.00 H new ATOM 0 HA ALA A 107 10.018 4.125 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.774 1.786 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.322 2.744 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.305 1.607 2.225 1.00 0.00 H new