USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 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 94 LYS NZ :NH3+ -116:sc= -0.664 (180deg=-0.195) USER MOD Set 1.2: A 107 HIS : no HE2:sc= -0.671! C(o=-1.3!,f=-18!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= 0.358 (180deg=-1.25!) USER MOD Single : A 96 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.041) USER MOD Single : A 97 ASN : amide:sc= -1.62! X(o=-1.6!,f=-2) USER MOD Single : A 101 SER OG : rot -169:sc= -0.173 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 17:sc= -0.856 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 124 MET CE :methyl 156:sc= -0.545 (180deg=-3.37) USER MOD Single : A 135 GLN : amide:sc= -0.049 K(o=-0.049,f=-1.5!) USER MOD Single : A 137 ASN : amide:sc=-0.00613! C(o=-0.0061!,f=-6.6!) USER MOD Single : A 138 TYR OH : rot -152:sc= -0.33 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc=-0.00603 (180deg=-0.00603) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 156:sc= -0.0103 (180deg=-0.656) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.489 -3.390 -1.828 1.00 0.00 N ATOM 2 CA ASP A 80 -19.829 -3.915 -0.600 1.00 0.00 C ATOM 3 C ASP A 80 -18.361 -4.208 -0.898 1.00 0.00 C ATOM 4 O ASP A 80 -17.507 -4.116 -0.015 1.00 0.00 O ATOM 5 CB ASP A 80 -20.539 -5.193 -0.149 1.00 0.00 C ATOM 6 CG ASP A 80 -21.905 -4.850 0.440 1.00 0.00 C ATOM 7 OD1 ASP A 80 -22.122 -3.689 0.747 1.00 0.00 O ATOM 8 OD2 ASP A 80 -22.713 -5.754 0.577 1.00 0.00 O ATOM 0 HA ASP A 80 -19.889 -3.173 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.658 -5.871 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.934 -5.713 0.594 1.00 0.00 H new ATOM 15 N SER A 81 -18.073 -4.555 -2.148 1.00 0.00 N ATOM 16 CA SER A 81 -16.702 -4.856 -2.542 1.00 0.00 C ATOM 17 C SER A 81 -15.807 -3.660 -2.248 1.00 0.00 C ATOM 18 O SER A 81 -14.704 -3.809 -1.724 1.00 0.00 O ATOM 19 CB SER A 81 -16.646 -5.177 -4.037 1.00 0.00 C ATOM 20 OG SER A 81 -17.457 -6.315 -4.303 1.00 0.00 O ATOM 0 H SER A 81 -18.761 -4.634 -2.897 1.00 0.00 H new ATOM 0 HA SER A 81 -16.353 -5.719 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.995 -4.323 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.617 -5.370 -4.341 1.00 0.00 H new ATOM 0 HG SER A 81 -17.425 -6.523 -5.260 1.00 0.00 H new ATOM 26 N GLU A 82 -16.284 -2.472 -2.594 1.00 0.00 N ATOM 27 CA GLU A 82 -15.515 -1.259 -2.367 1.00 0.00 C ATOM 28 C GLU A 82 -15.161 -1.125 -0.886 1.00 0.00 C ATOM 29 O GLU A 82 -14.047 -0.730 -0.542 1.00 0.00 O ATOM 30 CB GLU A 82 -16.329 -0.046 -2.817 1.00 0.00 C ATOM 31 CG GLU A 82 -15.449 1.206 -2.817 1.00 0.00 C ATOM 32 CD GLU A 82 -14.496 1.174 -4.006 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.625 0.274 -4.820 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.652 2.050 -4.085 1.00 0.00 O ATOM 0 H GLU A 82 -17.194 -2.324 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.592 -1.311 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.731 -0.218 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.180 0.098 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.073 2.099 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.882 1.262 -1.888 1.00 0.00 H new ATOM 41 N GLU A 83 -16.108 -1.465 -0.014 1.00 0.00 N ATOM 42 CA GLU A 83 -15.867 -1.382 1.424 1.00 0.00 C ATOM 43 C GLU A 83 -14.768 -2.364 1.824 1.00 0.00 C ATOM 44 O GLU A 83 -13.929 -2.066 2.678 1.00 0.00 O ATOM 45 CB GLU A 83 -17.158 -1.708 2.183 1.00 0.00 C ATOM 46 CG GLU A 83 -16.933 -1.531 3.687 1.00 0.00 C ATOM 47 CD GLU A 83 -18.235 -1.791 4.441 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.274 -1.811 3.802 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.172 -1.967 5.647 1.00 0.00 O ATOM 0 H GLU A 83 -17.037 -1.796 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.548 -0.371 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.963 -1.055 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.468 -2.731 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.160 -2.218 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.578 -0.522 3.894 1.00 0.00 H new ATOM 56 N GLU A 84 -14.770 -3.527 1.182 1.00 0.00 N ATOM 57 CA GLU A 84 -13.767 -4.545 1.455 1.00 0.00 C ATOM 58 C GLU A 84 -12.381 -4.052 1.029 1.00 0.00 C ATOM 59 O GLU A 84 -11.395 -4.260 1.734 1.00 0.00 O ATOM 60 CB GLU A 84 -14.155 -5.841 0.718 1.00 0.00 C ATOM 61 CG GLU A 84 -12.926 -6.722 0.501 1.00 0.00 C ATOM 62 CD GLU A 84 -13.344 -8.138 0.116 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.479 -8.497 0.388 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.523 -8.844 -0.445 1.00 0.00 O ATOM 0 H GLU A 84 -15.454 -3.786 0.471 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.726 -4.749 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.902 -6.385 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.610 -5.598 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.300 -6.296 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.325 -6.748 1.410 1.00 0.00 H new ATOM 71 N LEU A 85 -12.320 -3.393 -0.117 1.00 0.00 N ATOM 72 CA LEU A 85 -11.052 -2.871 -0.617 1.00 0.00 C ATOM 73 C LEU A 85 -10.481 -1.862 0.374 1.00 0.00 C ATOM 74 O LEU A 85 -9.290 -1.883 0.686 1.00 0.00 O ATOM 75 CB LEU A 85 -11.279 -2.186 -1.972 1.00 0.00 C ATOM 76 CG LEU A 85 -9.977 -1.576 -2.495 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.889 -2.654 -2.620 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.238 -0.950 -3.868 1.00 0.00 C ATOM 0 H LEU A 85 -13.124 -3.206 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.347 -3.694 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.662 -2.910 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.035 -1.408 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.632 -0.815 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.970 -2.202 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.703 -3.099 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.221 -3.427 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.316 -0.512 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.587 -1.718 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.997 -0.173 -3.775 1.00 0.00 H new ATOM 90 N LYS A 86 -11.349 -0.993 0.868 1.00 0.00 N ATOM 91 CA LYS A 86 -10.946 0.025 1.835 1.00 0.00 C ATOM 92 C LYS A 86 -10.469 -0.622 3.130 1.00 0.00 C ATOM 93 O LYS A 86 -9.567 -0.107 3.791 1.00 0.00 O ATOM 94 CB LYS A 86 -12.113 0.975 2.096 1.00 0.00 C ATOM 95 CG LYS A 86 -12.313 1.851 0.856 1.00 0.00 C ATOM 96 CD LYS A 86 -13.559 2.720 1.025 1.00 0.00 C ATOM 97 CE LYS A 86 -13.704 3.642 -0.189 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.674 4.719 -0.118 1.00 0.00 N ATOM 0 H LYS A 86 -12.337 -0.969 0.618 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.114 0.597 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.020 0.410 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.909 1.595 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.438 2.482 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.414 1.224 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.444 2.091 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.483 3.311 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.586 3.071 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.702 4.079 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.031 5.573 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.468 4.937 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.804 4.399 -0.590 1.00 0.00 H new ATOM 112 N GLU A 87 -11.041 -1.773 3.469 1.00 0.00 N ATOM 113 CA GLU A 87 -10.611 -2.478 4.655 1.00 0.00 C ATOM 114 C GLU A 87 -9.167 -2.919 4.445 1.00 0.00 C ATOM 115 O GLU A 87 -8.319 -2.766 5.321 1.00 0.00 O ATOM 116 CB GLU A 87 -11.506 -3.692 4.901 1.00 0.00 C ATOM 117 CG GLU A 87 -11.071 -4.367 6.193 1.00 0.00 C ATOM 118 CD GLU A 87 -12.000 -5.530 6.524 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.068 -5.596 5.939 1.00 0.00 O ATOM 120 OE2 GLU A 87 -11.632 -6.337 7.361 1.00 0.00 O ATOM 0 H GLU A 87 -11.790 -2.225 2.945 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.681 -1.827 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.549 -3.384 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.433 -4.390 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.047 -4.728 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.078 -3.644 7.009 1.00 0.00 H new ATOM 127 N ALA A 88 -8.901 -3.447 3.251 1.00 0.00 N ATOM 128 CA ALA A 88 -7.558 -3.889 2.898 1.00 0.00 C ATOM 129 C ALA A 88 -6.601 -2.703 2.954 1.00 0.00 C ATOM 130 O ALA A 88 -5.488 -2.806 3.457 1.00 0.00 O ATOM 131 CB ALA A 88 -7.564 -4.485 1.488 1.00 0.00 C ATOM 0 H ALA A 88 -9.596 -3.578 2.516 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.230 -4.651 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.558 -4.814 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.244 -5.336 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.894 -3.730 0.775 1.00 0.00 H new ATOM 137 N PHE A 89 -7.060 -1.572 2.440 1.00 0.00 N ATOM 138 CA PHE A 89 -6.258 -0.358 2.442 1.00 0.00 C ATOM 139 C PHE A 89 -5.881 0.024 3.868 1.00 0.00 C ATOM 140 O PHE A 89 -4.728 0.350 4.154 1.00 0.00 O ATOM 141 CB PHE A 89 -7.057 0.765 1.798 1.00 0.00 C ATOM 142 CG PHE A 89 -6.334 2.072 1.985 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.240 2.388 1.175 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.758 2.958 2.975 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.568 3.598 1.355 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.089 4.170 3.159 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.992 4.490 2.347 1.00 0.00 C ATOM 0 H PHE A 89 -7.982 -1.469 2.017 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.342 -0.529 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.195 0.563 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.050 0.820 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.915 1.697 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.603 2.707 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.723 3.846 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.416 4.858 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.473 5.427 2.487 1.00 0.00 H new ATOM 157 N ARG A 90 -6.865 -0.010 4.752 1.00 0.00 N ATOM 158 CA ARG A 90 -6.645 0.333 6.146 1.00 0.00 C ATOM 159 C ARG A 90 -5.691 -0.662 6.804 1.00 0.00 C ATOM 160 O ARG A 90 -4.909 -0.299 7.684 1.00 0.00 O ATOM 161 CB ARG A 90 -7.987 0.358 6.885 1.00 0.00 C ATOM 162 CG ARG A 90 -7.830 0.998 8.289 1.00 0.00 C ATOM 163 CD ARG A 90 -7.771 -0.095 9.362 1.00 0.00 C ATOM 164 NE ARG A 90 -9.013 -0.864 9.359 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.071 -0.473 10.064 1.00 0.00 C ATOM 166 NH1 ARG A 90 -10.654 0.664 9.798 1.00 0.00 N ATOM 167 NH2 ARG A 90 -10.529 -1.232 11.020 1.00 0.00 N ATOM 0 H ARG A 90 -7.825 -0.272 4.528 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.188 1.321 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.717 0.921 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.372 -0.657 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.923 1.601 8.323 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.666 1.668 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.924 -0.755 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.614 0.354 10.343 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.070 -1.718 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.299 1.256 9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.465 0.960 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.076 -2.123 11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.340 -0.935 11.563 1.00 0.00 H new ATOM 181 N VAL A 91 -5.740 -1.911 6.347 1.00 0.00 N ATOM 182 CA VAL A 91 -4.854 -2.946 6.870 1.00 0.00 C ATOM 183 C VAL A 91 -3.411 -2.639 6.474 1.00 0.00 C ATOM 184 O VAL A 91 -2.488 -2.761 7.279 1.00 0.00 O ATOM 185 CB VAL A 91 -5.262 -4.319 6.303 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.170 -5.359 6.585 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.579 -4.777 6.945 1.00 0.00 C ATOM 0 H VAL A 91 -6.380 -2.229 5.620 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.934 -2.967 7.957 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.394 -4.225 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.473 -6.324 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.238 -5.044 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.022 -5.449 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.863 -5.748 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.449 -4.858 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.362 -4.051 6.727 1.00 0.00 H new ATOM 197 N PHE A 92 -3.238 -2.258 5.212 1.00 0.00 N ATOM 198 CA PHE A 92 -1.920 -1.952 4.666 1.00 0.00 C ATOM 199 C PHE A 92 -1.273 -0.748 5.350 1.00 0.00 C ATOM 200 O PHE A 92 -0.059 -0.721 5.550 1.00 0.00 O ATOM 201 CB PHE A 92 -2.037 -1.650 3.163 1.00 0.00 C ATOM 202 CG PHE A 92 -2.230 -2.930 2.373 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.237 -3.917 2.379 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.395 -3.124 1.620 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.413 -5.091 1.639 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.573 -4.292 0.883 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.582 -5.280 0.891 1.00 0.00 C ATOM 0 H PHE A 92 -4.001 -2.153 4.543 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.293 -2.826 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.876 -0.978 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.139 -1.136 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.335 -3.772 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.161 -2.362 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.647 -5.852 1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.475 -4.435 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.718 -6.187 0.321 1.00 0.00 H new ATOM 217 N ASP A 93 -2.078 0.255 5.674 1.00 0.00 N ATOM 218 CA ASP A 93 -1.560 1.477 6.297 1.00 0.00 C ATOM 219 C ASP A 93 -1.746 1.469 7.810 1.00 0.00 C ATOM 220 O ASP A 93 -2.676 2.082 8.336 1.00 0.00 O ATOM 221 CB ASP A 93 -2.278 2.688 5.698 1.00 0.00 C ATOM 222 CG ASP A 93 -1.664 3.985 6.218 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.460 4.017 6.415 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.409 4.933 6.404 1.00 0.00 O ATOM 0 H ASP A 93 -3.086 0.252 5.519 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.490 1.530 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.210 2.657 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.337 2.653 5.952 1.00 0.00 H new ATOM 229 N LYS A 94 -0.851 0.779 8.506 1.00 0.00 N ATOM 230 CA LYS A 94 -0.932 0.715 9.961 1.00 0.00 C ATOM 231 C LYS A 94 -0.827 2.127 10.539 1.00 0.00 C ATOM 232 O LYS A 94 -1.490 2.466 11.522 1.00 0.00 O ATOM 233 CB LYS A 94 0.199 -0.162 10.518 1.00 0.00 C ATOM 234 CG LYS A 94 1.546 0.536 10.313 1.00 0.00 C ATOM 235 CD LYS A 94 2.681 -0.396 10.724 1.00 0.00 C ATOM 236 CE LYS A 94 4.002 0.374 10.692 1.00 0.00 C ATOM 237 NZ LYS A 94 5.120 -0.548 11.028 1.00 0.00 N ATOM 0 H LYS A 94 -0.072 0.263 8.096 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.888 0.275 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.035 -0.352 11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.201 -1.130 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.661 0.824 9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.584 1.452 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.500 -0.790 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.728 -1.251 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.159 0.808 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.971 1.200 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.566 -0.243 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.752 -1.514 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.825 -0.532 10.263 1.00 0.00 H new ATOM 251 N ASP A 95 0.043 2.934 9.916 1.00 0.00 N ATOM 252 CA ASP A 95 0.295 4.315 10.346 1.00 0.00 C ATOM 253 C ASP A 95 -0.972 5.110 10.397 1.00 0.00 C ATOM 254 O ASP A 95 -1.065 6.077 11.149 1.00 0.00 O ATOM 255 CB ASP A 95 1.235 5.010 9.390 1.00 0.00 C ATOM 256 CG ASP A 95 1.412 6.474 9.794 1.00 0.00 C ATOM 257 OD1 ASP A 95 1.109 6.803 10.931 1.00 0.00 O ATOM 258 OD2 ASP A 95 1.836 7.252 8.955 1.00 0.00 O ATOM 0 H ASP A 95 0.589 2.649 9.103 1.00 0.00 H new ATOM 0 HA ASP A 95 0.737 4.258 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.202 4.506 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.843 4.950 8.375 1.00 0.00 H new ATOM 263 N GLN A 96 -1.963 4.681 9.644 1.00 0.00 N ATOM 264 CA GLN A 96 -3.262 5.341 9.691 1.00 0.00 C ATOM 265 C GLN A 96 -3.248 6.791 9.276 1.00 0.00 C ATOM 266 O GLN A 96 -4.049 7.585 9.761 1.00 0.00 O ATOM 267 CB GLN A 96 -3.741 5.253 11.149 1.00 0.00 C ATOM 268 CG GLN A 96 -4.316 3.854 11.392 1.00 0.00 C ATOM 269 CD GLN A 96 -5.799 3.994 11.386 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.501 3.543 10.470 1.00 0.00 O ATOM 271 NE2 GLN A 96 -6.271 4.671 12.365 1.00 0.00 N ATOM 0 H GLN A 96 -1.903 3.892 9.000 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.916 4.839 8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.913 5.445 11.831 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.498 6.012 11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.990 3.161 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.969 3.453 12.344 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.647 5.019 13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.271 4.863 12.417 1.00 0.00 H new ATOM 280 N ASN A 97 -2.369 7.131 8.379 1.00 0.00 N ATOM 281 CA ASN A 97 -2.281 8.492 7.908 1.00 0.00 C ATOM 282 C ASN A 97 -3.020 8.621 6.571 1.00 0.00 C ATOM 283 O ASN A 97 -3.138 9.715 6.022 1.00 0.00 O ATOM 284 CB ASN A 97 -0.793 8.827 7.777 1.00 0.00 C ATOM 285 CG ASN A 97 -0.570 9.844 6.683 1.00 0.00 C ATOM 286 OD1 ASN A 97 0.091 9.545 5.686 1.00 0.00 O ATOM 287 ND2 ASN A 97 -1.114 11.022 6.803 1.00 0.00 N ATOM 0 H ASN A 97 -1.700 6.488 7.956 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.750 9.193 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.418 9.216 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.229 7.920 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.997 11.716 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.657 11.250 7.635 1.00 0.00 H new ATOM 294 N GLY A 98 -3.512 7.496 6.052 1.00 0.00 N ATOM 295 CA GLY A 98 -4.224 7.510 4.775 1.00 0.00 C ATOM 296 C GLY A 98 -3.241 7.361 3.619 1.00 0.00 C ATOM 297 O GLY A 98 -3.488 7.836 2.510 1.00 0.00 O ATOM 0 H GLY A 98 -3.433 6.577 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.953 6.700 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.780 8.442 4.671 1.00 0.00 H new ATOM 301 N PHE A 99 -2.130 6.687 3.891 1.00 0.00 N ATOM 302 CA PHE A 99 -1.105 6.452 2.879 1.00 0.00 C ATOM 303 C PHE A 99 -0.339 5.176 3.190 1.00 0.00 C ATOM 304 O PHE A 99 0.108 4.973 4.317 1.00 0.00 O ATOM 305 CB PHE A 99 -0.103 7.611 2.857 1.00 0.00 C ATOM 306 CG PHE A 99 -0.737 8.837 2.248 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.554 9.667 3.023 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.502 9.142 0.902 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.138 10.803 2.450 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.085 10.276 0.329 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.905 11.106 1.102 1.00 0.00 C ATOM 0 H PHE A 99 -1.915 6.292 4.807 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.603 6.367 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.232 7.831 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.780 7.327 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.734 9.432 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.130 8.501 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.768 11.446 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.903 10.511 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.358 11.981 0.659 1.00 0.00 H new ATOM 321 N ILE A 100 -0.153 4.332 2.184 1.00 0.00 N ATOM 322 CA ILE A 100 0.606 3.107 2.383 1.00 0.00 C ATOM 323 C ILE A 100 2.061 3.399 2.054 1.00 0.00 C ATOM 324 O ILE A 100 2.384 3.862 0.958 1.00 0.00 O ATOM 325 CB ILE A 100 0.085 1.983 1.494 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.391 1.746 1.800 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.881 0.706 1.781 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.983 0.774 0.777 1.00 0.00 C ATOM 0 H ILE A 100 -0.510 4.470 1.239 1.00 0.00 H new ATOM 0 HA ILE A 100 0.502 2.779 3.417 1.00 0.00 H new ATOM 0 HB ILE A 100 0.200 2.255 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.503 1.342 2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.934 2.691 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.513 -0.102 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.936 0.880 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.761 0.430 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.037 0.608 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.886 1.195 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.448 -0.175 0.825 1.00 0.00 H new ATOM 340 N SER A 101 2.927 3.147 3.024 1.00 0.00 N ATOM 341 CA SER A 101 4.357 3.402 2.858 1.00 0.00 C ATOM 342 C SER A 101 5.113 2.090 2.735 1.00 0.00 C ATOM 343 O SER A 101 4.642 1.047 3.191 1.00 0.00 O ATOM 344 CB SER A 101 4.889 4.181 4.065 1.00 0.00 C ATOM 345 OG SER A 101 5.338 3.266 5.054 1.00 0.00 O ATOM 0 H SER A 101 2.669 2.767 3.935 1.00 0.00 H new ATOM 0 HA SER A 101 4.504 3.988 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.707 4.834 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.106 4.820 4.473 1.00 0.00 H new ATOM 0 HG SER A 101 5.515 3.748 5.889 1.00 0.00 H new ATOM 351 N ALA A 102 6.300 2.146 2.146 1.00 0.00 N ATOM 352 CA ALA A 102 7.106 0.948 2.014 1.00 0.00 C ATOM 353 C ALA A 102 7.329 0.379 3.401 1.00 0.00 C ATOM 354 O ALA A 102 7.234 -0.827 3.620 1.00 0.00 O ATOM 355 CB ALA A 102 8.450 1.282 1.368 1.00 0.00 C ATOM 0 H ALA A 102 6.717 2.993 1.760 1.00 0.00 H new ATOM 0 HA ALA A 102 6.595 0.222 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.045 0.373 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.282 1.709 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.983 2.003 1.988 1.00 0.00 H new ATOM 361 N ALA A 103 7.606 1.277 4.340 1.00 0.00 N ATOM 362 CA ALA A 103 7.822 0.889 5.722 1.00 0.00 C ATOM 363 C ALA A 103 6.599 0.152 6.250 1.00 0.00 C ATOM 364 O ALA A 103 6.708 -0.942 6.802 1.00 0.00 O ATOM 365 CB ALA A 103 8.060 2.143 6.565 1.00 0.00 C ATOM 0 H ALA A 103 7.686 2.279 4.165 1.00 0.00 H new ATOM 0 HA ALA A 103 8.690 0.232 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.223 1.857 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.938 2.671 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.189 2.796 6.500 1.00 0.00 H new ATOM 371 N GLU A 104 5.431 0.759 6.068 1.00 0.00 N ATOM 372 CA GLU A 104 4.192 0.165 6.514 1.00 0.00 C ATOM 373 C GLU A 104 3.925 -1.107 5.723 1.00 0.00 C ATOM 374 O GLU A 104 3.526 -2.129 6.278 1.00 0.00 O ATOM 375 CB GLU A 104 3.064 1.178 6.306 1.00 0.00 C ATOM 376 CG GLU A 104 3.347 2.431 7.147 1.00 0.00 C ATOM 377 CD GLU A 104 2.523 3.613 6.646 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.712 3.420 5.756 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.732 4.701 7.149 1.00 0.00 O ATOM 0 H GLU A 104 5.324 1.665 5.612 1.00 0.00 H new ATOM 0 HA GLU A 104 4.252 -0.095 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.988 1.443 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.108 0.740 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.111 2.234 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.408 2.675 7.100 1.00 0.00 H new ATOM 386 N LEU A 105 4.173 -1.033 4.422 1.00 0.00 N ATOM 387 CA LEU A 105 3.983 -2.180 3.543 1.00 0.00 C ATOM 388 C LEU A 105 4.966 -3.297 3.911 1.00 0.00 C ATOM 389 O LEU A 105 4.626 -4.480 3.869 1.00 0.00 O ATOM 390 CB LEU A 105 4.194 -1.751 2.082 1.00 0.00 C ATOM 391 CG LEU A 105 3.516 -2.757 1.127 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.040 -2.384 0.926 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.221 -2.735 -0.233 1.00 0.00 C ATOM 0 H LEU A 105 4.506 -0.191 3.952 1.00 0.00 H new ATOM 0 HA LEU A 105 2.967 -2.557 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.781 -0.755 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.260 -1.693 1.863 1.00 0.00 H new ATOM 0 HG LEU A 105 3.584 -3.753 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.572 -3.100 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.526 -2.402 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.973 -1.384 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.739 -3.446 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.158 -1.734 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.268 -3.009 -0.104 1.00 0.00 H new ATOM 405 N ARG A 106 6.180 -2.900 4.289 1.00 0.00 N ATOM 406 CA ARG A 106 7.202 -3.854 4.677 1.00 0.00 C ATOM 407 C ARG A 106 6.765 -4.607 5.930 1.00 0.00 C ATOM 408 O ARG A 106 6.929 -5.822 6.029 1.00 0.00 O ATOM 409 CB ARG A 106 8.515 -3.127 4.949 1.00 0.00 C ATOM 410 CG ARG A 106 9.598 -4.150 5.266 1.00 0.00 C ATOM 411 CD ARG A 106 10.936 -3.438 5.415 1.00 0.00 C ATOM 412 NE ARG A 106 10.935 -2.579 6.594 1.00 0.00 N ATOM 413 CZ ARG A 106 11.964 -1.780 6.863 1.00 0.00 C ATOM 414 NH1 ARG A 106 12.486 -1.048 5.918 1.00 0.00 N ATOM 415 NH2 ARG A 106 12.454 -1.730 8.072 1.00 0.00 N ATOM 0 H ARG A 106 6.474 -1.924 4.333 1.00 0.00 H new ATOM 0 HA ARG A 106 7.346 -4.565 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.802 -2.533 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.396 -2.436 5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.353 -4.683 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.655 -4.894 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.737 -4.172 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.137 -2.842 4.525 1.00 0.00 H new ATOM 0 HE ARG A 106 10.132 -2.591 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.105 -1.088 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.275 -0.435 6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.048 -2.304 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.243 -1.117 8.278 1.00 0.00 H new ATOM 429 N HIS A 107 6.208 -3.868 6.884 1.00 0.00 N ATOM 430 CA HIS A 107 5.752 -4.460 8.138 1.00 0.00 C ATOM 431 C HIS A 107 4.586 -5.420 7.895 1.00 0.00 C ATOM 432 O HIS A 107 4.522 -6.497 8.489 1.00 0.00 O ATOM 433 CB HIS A 107 5.320 -3.351 9.101 1.00 0.00 C ATOM 434 CG HIS A 107 6.542 -2.659 9.650 1.00 0.00 C ATOM 435 ND1 HIS A 107 7.006 -1.457 9.140 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.410 -2.998 10.658 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.107 -1.120 9.835 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.397 -2.025 10.774 1.00 0.00 N ATOM 0 H HIS A 107 6.061 -2.861 6.814 1.00 0.00 H new ATOM 0 HA HIS A 107 6.575 -5.025 8.575 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.684 -2.633 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.730 -3.771 9.915 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.589 -0.925 8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.337 -3.886 11.269 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.686 -0.226 9.656 1.00 0.00 H new ATOM 446 N VAL A 108 3.669 -5.022 7.025 1.00 0.00 N ATOM 447 CA VAL A 108 2.509 -5.851 6.707 1.00 0.00 C ATOM 448 C VAL A 108 2.943 -7.110 5.956 1.00 0.00 C ATOM 449 O VAL A 108 2.442 -8.205 6.214 1.00 0.00 O ATOM 450 CB VAL A 108 1.510 -5.042 5.874 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.311 -5.920 5.501 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.027 -3.835 6.695 1.00 0.00 C ATOM 0 H VAL A 108 3.703 -4.133 6.526 1.00 0.00 H new ATOM 0 HA VAL A 108 2.026 -6.160 7.634 1.00 0.00 H new ATOM 0 HB VAL A 108 1.996 -4.696 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.396 -5.338 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.654 -6.776 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.179 -6.271 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.316 -3.256 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.543 -4.185 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.879 -3.207 6.955 1.00 0.00 H new ATOM 462 N MET A 109 3.891 -6.943 5.037 1.00 0.00 N ATOM 463 CA MET A 109 4.410 -8.063 4.256 1.00 0.00 C ATOM 464 C MET A 109 5.177 -9.032 5.160 1.00 0.00 C ATOM 465 O MET A 109 5.188 -10.238 4.920 1.00 0.00 O ATOM 466 CB MET A 109 5.340 -7.535 3.152 1.00 0.00 C ATOM 467 CG MET A 109 4.508 -6.970 1.995 1.00 0.00 C ATOM 468 SD MET A 109 3.668 -8.321 1.130 1.00 0.00 S ATOM 469 CE MET A 109 2.711 -7.298 -0.015 1.00 0.00 C ATOM 0 H MET A 109 4.316 -6.043 4.815 1.00 0.00 H new ATOM 0 HA MET A 109 3.574 -8.595 3.803 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.993 -6.760 3.554 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.983 -8.338 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.776 -6.258 2.375 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.152 -6.427 1.303 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.107 -7.939 -0.658 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.059 -6.632 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.390 -6.706 -0.628 1.00 0.00 H new ATOM 479 N THR A 110 5.804 -8.498 6.208 1.00 0.00 N ATOM 480 CA THR A 110 6.549 -9.322 7.145 1.00 0.00 C ATOM 481 C THR A 110 5.591 -10.091 8.057 1.00 0.00 C ATOM 482 O THR A 110 5.818 -11.259 8.373 1.00 0.00 O ATOM 483 CB THR A 110 7.463 -8.431 7.978 1.00 0.00 C ATOM 484 OG1 THR A 110 6.726 -7.317 8.451 1.00 0.00 O ATOM 485 CG2 THR A 110 8.644 -7.948 7.127 1.00 0.00 C ATOM 0 H THR A 110 5.808 -7.501 6.425 1.00 0.00 H new ATOM 0 HA THR A 110 7.149 -10.044 6.591 1.00 0.00 H new ATOM 0 HB THR A 110 7.848 -9.000 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.767 -7.502 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.291 -7.312 7.731 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.211 -8.808 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.270 -7.380 6.275 1.00 0.00 H new ATOM 493 N ASN A 111 4.508 -9.428 8.454 1.00 0.00 N ATOM 494 CA ASN A 111 3.495 -10.050 9.306 1.00 0.00 C ATOM 495 C ASN A 111 2.832 -11.183 8.536 1.00 0.00 C ATOM 496 O ASN A 111 2.508 -12.239 9.079 1.00 0.00 O ATOM 497 CB ASN A 111 2.439 -9.009 9.692 1.00 0.00 C ATOM 498 CG ASN A 111 1.369 -9.641 10.574 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.210 -9.745 10.169 1.00 0.00 O ATOM 500 ND2 ASN A 111 1.687 -10.071 11.763 1.00 0.00 N ATOM 0 H ASN A 111 4.308 -8.460 8.200 1.00 0.00 H new ATOM 0 HA ASN A 111 3.962 -10.439 10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.912 -8.180 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.981 -8.595 8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.976 -10.494 12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.647 -9.984 12.097 1.00 0.00 H new ATOM 507 N LEU A 112 2.638 -10.910 7.260 1.00 0.00 N ATOM 508 CA LEU A 112 2.018 -11.832 6.323 1.00 0.00 C ATOM 509 C LEU A 112 2.838 -13.115 6.196 1.00 0.00 C ATOM 510 O LEU A 112 2.291 -14.211 6.061 1.00 0.00 O ATOM 511 CB LEU A 112 1.947 -11.104 4.975 1.00 0.00 C ATOM 512 CG LEU A 112 1.226 -11.920 3.895 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.155 -12.376 4.390 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.048 -11.020 2.660 1.00 0.00 C ATOM 0 H LEU A 112 2.912 -10.024 6.836 1.00 0.00 H new ATOM 0 HA LEU A 112 1.025 -12.124 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.433 -10.152 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.958 -10.876 4.637 1.00 0.00 H new ATOM 0 HG LEU A 112 1.814 -12.806 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.649 -12.953 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.037 -12.996 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.760 -11.503 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.537 -11.577 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.456 -10.146 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.025 -10.699 2.300 1.00 0.00 H new ATOM 526 N GLY A 113 4.154 -12.958 6.213 1.00 0.00 N ATOM 527 CA GLY A 113 5.073 -14.086 6.066 1.00 0.00 C ATOM 528 C GLY A 113 5.692 -14.021 4.682 1.00 0.00 C ATOM 529 O GLY A 113 6.254 -14.992 4.176 1.00 0.00 O ATOM 0 H GLY A 113 4.615 -12.055 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.849 -14.046 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.542 -15.028 6.200 1.00 0.00 H new ATOM 533 N GLU A 114 5.605 -12.826 4.108 1.00 0.00 N ATOM 534 CA GLU A 114 6.174 -12.536 2.803 1.00 0.00 C ATOM 535 C GLU A 114 7.497 -11.821 3.014 1.00 0.00 C ATOM 536 O GLU A 114 7.574 -10.894 3.820 1.00 0.00 O ATOM 537 CB GLU A 114 5.222 -11.640 2.012 1.00 0.00 C ATOM 538 CG GLU A 114 4.057 -12.476 1.488 1.00 0.00 C ATOM 539 CD GLU A 114 4.518 -13.356 0.331 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.084 -12.818 -0.606 1.00 0.00 O ATOM 541 OE2 GLU A 114 4.292 -14.552 0.397 1.00 0.00 O ATOM 0 H GLU A 114 5.135 -12.030 4.539 1.00 0.00 H new ATOM 0 HA GLU A 114 6.328 -13.459 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.850 -10.836 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.751 -11.172 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.656 -13.097 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.250 -11.822 1.158 1.00 0.00 H new ATOM 548 N LYS A 115 8.540 -12.254 2.312 1.00 0.00 N ATOM 549 CA LYS A 115 9.861 -11.636 2.463 1.00 0.00 C ATOM 550 C LYS A 115 10.323 -11.013 1.154 1.00 0.00 C ATOM 551 O LYS A 115 10.952 -11.670 0.326 1.00 0.00 O ATOM 552 CB LYS A 115 10.871 -12.692 2.914 1.00 0.00 C ATOM 553 CG LYS A 115 10.556 -13.114 4.352 1.00 0.00 C ATOM 554 CD LYS A 115 11.558 -14.178 4.801 1.00 0.00 C ATOM 555 CE LYS A 115 11.310 -14.535 6.268 1.00 0.00 C ATOM 556 NZ LYS A 115 10.108 -15.410 6.371 1.00 0.00 N ATOM 0 H LYS A 115 8.502 -13.020 1.640 1.00 0.00 H new ATOM 0 HA LYS A 115 9.790 -10.848 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.830 -13.557 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.883 -12.292 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.605 -12.250 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.541 -13.506 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.461 -15.068 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.576 -13.809 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.180 -15.045 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.164 -13.628 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.979 -15.708 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.268 -14.884 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.237 -16.249 5.771 1.00 0.00 H new ATOM 570 N LEU A 116 10.010 -9.730 0.983 1.00 0.00 N ATOM 571 CA LEU A 116 10.400 -8.999 -0.221 1.00 0.00 C ATOM 572 C LEU A 116 11.646 -8.172 0.056 1.00 0.00 C ATOM 573 O LEU A 116 11.867 -7.714 1.177 1.00 0.00 O ATOM 574 CB LEU A 116 9.279 -8.052 -0.657 1.00 0.00 C ATOM 575 CG LEU A 116 8.160 -8.829 -1.353 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.660 -9.958 -0.444 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.012 -7.862 -1.658 1.00 0.00 C ATOM 0 H LEU A 116 9.488 -9.176 1.662 1.00 0.00 H new ATOM 0 HA LEU A 116 10.597 -9.724 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.880 -7.528 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.677 -7.294 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 116 8.535 -9.268 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.864 -10.505 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.483 -10.637 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.278 -9.535 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.205 -8.400 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.642 -7.432 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.371 -7.065 -2.309 1.00 0.00 H new ATOM 589 N THR A 117 12.439 -7.963 -0.981 1.00 0.00 N ATOM 590 CA THR A 117 13.649 -7.162 -0.862 1.00 0.00 C ATOM 591 C THR A 117 13.301 -5.690 -0.974 1.00 0.00 C ATOM 592 O THR A 117 12.165 -5.332 -1.282 1.00 0.00 O ATOM 593 CB THR A 117 14.643 -7.531 -1.959 1.00 0.00 C ATOM 594 OG1 THR A 117 14.232 -6.946 -3.186 1.00 0.00 O ATOM 595 CG2 THR A 117 14.698 -9.046 -2.104 1.00 0.00 C ATOM 0 H THR A 117 12.268 -8.336 -1.915 1.00 0.00 H new ATOM 0 HA THR A 117 14.103 -7.360 0.109 1.00 0.00 H new ATOM 0 HB THR A 117 15.633 -7.158 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.871 -7.181 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.408 -9.311 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.016 -9.490 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.710 -9.422 -2.368 1.00 0.00 H new ATOM 603 N ASP A 118 14.285 -4.843 -0.740 1.00 0.00 N ATOM 604 CA ASP A 118 14.076 -3.411 -0.837 1.00 0.00 C ATOM 605 C ASP A 118 13.700 -3.040 -2.265 1.00 0.00 C ATOM 606 O ASP A 118 12.883 -2.148 -2.494 1.00 0.00 O ATOM 607 CB ASP A 118 15.360 -2.690 -0.429 1.00 0.00 C ATOM 608 CG ASP A 118 15.183 -1.181 -0.558 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.360 -0.638 0.161 1.00 0.00 O ATOM 610 OD2 ASP A 118 15.873 -0.591 -1.371 1.00 0.00 O ATOM 0 H ASP A 118 15.232 -5.120 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 118 13.265 -3.112 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.618 -2.946 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.187 -3.021 -1.058 1.00 0.00 H new ATOM 615 N GLU A 119 14.322 -3.722 -3.221 1.00 0.00 N ATOM 616 CA GLU A 119 14.071 -3.460 -4.632 1.00 0.00 C ATOM 617 C GLU A 119 12.664 -3.883 -5.054 1.00 0.00 C ATOM 618 O GLU A 119 12.005 -3.170 -5.813 1.00 0.00 O ATOM 619 CB GLU A 119 15.099 -4.207 -5.475 1.00 0.00 C ATOM 620 CG GLU A 119 14.933 -3.818 -6.947 1.00 0.00 C ATOM 621 CD GLU A 119 16.002 -4.504 -7.787 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.964 -4.983 -7.209 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.845 -4.539 -8.996 1.00 0.00 O ATOM 0 H GLU A 119 15.003 -4.460 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 119 14.155 -2.385 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.107 -3.967 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.970 -5.283 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.942 -4.105 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.010 -2.736 -7.057 1.00 0.00 H new ATOM 630 N GLU A 120 12.184 -5.022 -4.551 1.00 0.00 N ATOM 631 CA GLU A 120 10.839 -5.461 -4.900 1.00 0.00 C ATOM 632 C GLU A 120 9.843 -4.474 -4.324 1.00 0.00 C ATOM 633 O GLU A 120 8.891 -4.060 -4.985 1.00 0.00 O ATOM 634 CB GLU A 120 10.558 -6.857 -4.339 1.00 0.00 C ATOM 635 CG GLU A 120 11.304 -7.899 -5.169 1.00 0.00 C ATOM 636 CD GLU A 120 10.667 -8.025 -6.551 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.464 -8.215 -6.612 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.394 -7.932 -7.526 1.00 0.00 O ATOM 0 H GLU A 120 12.693 -5.640 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 120 10.748 -5.505 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.874 -6.912 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.487 -7.060 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.352 -7.614 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.282 -8.863 -4.661 1.00 0.00 H new ATOM 645 N VAL A 121 10.089 -4.101 -3.075 1.00 0.00 N ATOM 646 CA VAL A 121 9.237 -3.157 -2.377 1.00 0.00 C ATOM 647 C VAL A 121 9.224 -1.818 -3.111 1.00 0.00 C ATOM 648 O VAL A 121 8.160 -1.260 -3.385 1.00 0.00 O ATOM 649 CB VAL A 121 9.792 -2.976 -0.959 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.126 -1.789 -0.262 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.537 -4.247 -0.149 1.00 0.00 C ATOM 0 H VAL A 121 10.877 -4.442 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 121 8.214 -3.531 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 121 10.863 -2.784 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.536 -1.680 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.316 -0.879 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.051 -1.960 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.931 -4.121 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.465 -4.438 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.033 -5.090 -0.629 1.00 0.00 H new ATOM 661 N ASP A 122 10.410 -1.317 -3.438 1.00 0.00 N ATOM 662 CA ASP A 122 10.524 -0.050 -4.151 1.00 0.00 C ATOM 663 C ASP A 122 9.925 -0.157 -5.555 1.00 0.00 C ATOM 664 O ASP A 122 9.141 0.698 -5.968 1.00 0.00 O ATOM 665 CB ASP A 122 11.994 0.358 -4.251 1.00 0.00 C ATOM 666 CG ASP A 122 12.503 0.809 -2.885 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.688 0.936 -1.984 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.697 1.020 -2.759 1.00 0.00 O ATOM 0 H ASP A 122 11.301 -1.765 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 122 9.970 0.706 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.589 -0.481 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.108 1.164 -4.975 1.00 0.00 H new ATOM 673 N GLU A 123 10.305 -1.204 -6.288 1.00 0.00 N ATOM 674 CA GLU A 123 9.804 -1.396 -7.648 1.00 0.00 C ATOM 675 C GLU A 123 8.282 -1.427 -7.665 1.00 0.00 C ATOM 676 O GLU A 123 7.648 -0.788 -8.502 1.00 0.00 O ATOM 677 CB GLU A 123 10.352 -2.707 -8.224 1.00 0.00 C ATOM 678 CG GLU A 123 11.810 -2.512 -8.639 1.00 0.00 C ATOM 679 CD GLU A 123 11.883 -1.649 -9.895 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.201 -1.977 -10.853 1.00 0.00 O ATOM 681 OE2 GLU A 123 12.617 -0.677 -9.880 1.00 0.00 O ATOM 0 H GLU A 123 10.951 -1.925 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 123 10.141 -0.559 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.277 -3.502 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.757 -3.016 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.367 -2.039 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.277 -3.479 -8.825 1.00 0.00 H new ATOM 688 N MET A 124 7.699 -2.156 -6.726 1.00 0.00 N ATOM 689 CA MET A 124 6.250 -2.245 -6.632 1.00 0.00 C ATOM 690 C MET A 124 5.658 -0.878 -6.311 1.00 0.00 C ATOM 691 O MET A 124 4.649 -0.463 -6.882 1.00 0.00 O ATOM 692 CB MET A 124 5.890 -3.244 -5.532 1.00 0.00 C ATOM 693 CG MET A 124 4.386 -3.228 -5.280 1.00 0.00 C ATOM 694 SD MET A 124 3.909 -4.722 -4.373 1.00 0.00 S ATOM 695 CE MET A 124 5.066 -4.537 -2.993 1.00 0.00 C ATOM 0 H MET A 124 8.204 -2.693 -6.021 1.00 0.00 H new ATOM 0 HA MET A 124 5.840 -2.581 -7.585 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.207 -4.246 -5.822 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.423 -2.994 -4.615 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.112 -2.340 -4.710 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.848 -3.177 -6.227 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.685 -5.073 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.037 -4.946 -3.275 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.174 -3.480 -2.748 1.00 0.00 H new ATOM 705 N ILE A 125 6.315 -0.191 -5.396 1.00 0.00 N ATOM 706 CA ILE A 125 5.903 1.140 -4.970 1.00 0.00 C ATOM 707 C ILE A 125 6.090 2.175 -6.089 1.00 0.00 C ATOM 708 O ILE A 125 5.212 3.004 -6.329 1.00 0.00 O ATOM 709 CB ILE A 125 6.710 1.514 -3.717 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.243 0.651 -2.519 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.569 3.003 -3.395 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.005 1.263 -1.838 1.00 0.00 C ATOM 0 H ILE A 125 7.151 -0.537 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 125 4.839 1.136 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 125 7.764 1.316 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.011 -0.357 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.053 0.562 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.150 3.239 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.936 3.593 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.520 3.239 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.702 0.634 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.247 2.261 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.189 1.328 -2.557 1.00 0.00 H new ATOM 724 N ARG A 126 7.229 2.117 -6.773 1.00 0.00 N ATOM 725 CA ARG A 126 7.504 3.054 -7.866 1.00 0.00 C ATOM 726 C ARG A 126 6.524 2.813 -9.013 1.00 0.00 C ATOM 727 O ARG A 126 6.095 3.747 -9.690 1.00 0.00 O ATOM 728 CB ARG A 126 8.940 2.896 -8.370 1.00 0.00 C ATOM 729 CG ARG A 126 9.234 3.974 -9.421 1.00 0.00 C ATOM 730 CD ARG A 126 10.676 3.833 -9.909 1.00 0.00 C ATOM 731 NE ARG A 126 11.605 4.114 -8.820 1.00 0.00 N ATOM 732 CZ ARG A 126 12.917 4.001 -8.988 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.512 4.661 -9.943 1.00 0.00 N ATOM 734 NH2 ARG A 126 13.611 3.229 -8.198 1.00 0.00 N ATOM 0 H ARG A 126 7.971 1.440 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 126 7.381 4.069 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.640 2.982 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.078 1.905 -8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.544 3.877 -10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.079 4.965 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.843 2.825 -10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.856 4.519 -10.737 1.00 0.00 H new ATOM 0 HE ARG A 126 11.240 4.403 -7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.969 5.264 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.520 4.574 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.146 2.713 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.619 3.142 -8.327 1.00 0.00 H new ATOM 748 N GLU A 127 6.170 1.547 -9.204 1.00 0.00 N ATOM 749 CA GLU A 127 5.229 1.163 -10.249 1.00 0.00 C ATOM 750 C GLU A 127 3.815 1.631 -9.903 1.00 0.00 C ATOM 751 O GLU A 127 3.080 2.106 -10.766 1.00 0.00 O ATOM 752 CB GLU A 127 5.250 -0.362 -10.418 1.00 0.00 C ATOM 753 CG GLU A 127 6.504 -0.779 -11.192 1.00 0.00 C ATOM 754 CD GLU A 127 6.366 -0.369 -12.654 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.244 -0.182 -13.094 1.00 0.00 O ATOM 756 OE2 GLU A 127 7.385 -0.247 -13.313 1.00 0.00 O ATOM 0 H GLU A 127 6.522 0.768 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 127 5.527 1.639 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.236 -0.846 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.357 -0.691 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 127 7.386 -0.310 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.647 -1.857 -11.119 1.00 0.00 H new ATOM 763 N ALA A 128 3.450 1.497 -8.631 1.00 0.00 N ATOM 764 CA ALA A 128 2.122 1.916 -8.183 1.00 0.00 C ATOM 765 C ALA A 128 2.068 3.431 -8.014 1.00 0.00 C ATOM 766 O ALA A 128 0.987 4.013 -7.913 1.00 0.00 O ATOM 767 CB ALA A 128 1.755 1.234 -6.863 1.00 0.00 C ATOM 0 H ALA A 128 4.045 1.107 -7.900 1.00 0.00 H new ATOM 0 HA ALA A 128 1.400 1.618 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.764 1.560 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.755 0.153 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.485 1.503 -6.099 1.00 0.00 H new ATOM 773 N ASP A 129 3.239 4.070 -7.992 1.00 0.00 N ATOM 774 CA ASP A 129 3.321 5.528 -7.846 1.00 0.00 C ATOM 775 C ASP A 129 3.490 6.189 -9.210 1.00 0.00 C ATOM 776 O ASP A 129 4.495 5.971 -9.887 1.00 0.00 O ATOM 777 CB ASP A 129 4.514 5.900 -6.947 1.00 0.00 C ATOM 778 CG ASP A 129 4.119 5.814 -5.477 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.145 6.455 -5.108 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.793 5.111 -4.743 1.00 0.00 O ATOM 0 H ASP A 129 4.143 3.604 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 129 2.397 5.883 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.350 5.229 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.853 6.909 -7.181 1.00 0.00 H new ATOM 785 N VAL A 130 2.509 7.005 -9.609 1.00 0.00 N ATOM 786 CA VAL A 130 2.570 7.702 -10.898 1.00 0.00 C ATOM 787 C VAL A 130 2.779 9.188 -10.683 1.00 0.00 C ATOM 788 O VAL A 130 3.296 9.886 -11.556 1.00 0.00 O ATOM 789 CB VAL A 130 1.283 7.466 -11.722 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.191 8.486 -11.342 1.00 0.00 C ATOM 791 CG2 VAL A 130 1.617 7.614 -13.208 1.00 0.00 C ATOM 0 H VAL A 130 1.669 7.198 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 130 3.414 7.298 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 130 0.907 6.465 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.704 8.299 -11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -0.048 8.386 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.552 9.496 -11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.717 7.450 -13.801 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.998 8.617 -13.397 1.00 0.00 H new ATOM 0 HG23 VAL A 130 2.374 6.880 -13.486 1.00 0.00 H new ATOM 801 N ASP A 131 2.423 9.655 -9.500 1.00 0.00 N ATOM 802 CA ASP A 131 2.625 11.047 -9.153 1.00 0.00 C ATOM 803 C ASP A 131 3.946 11.129 -8.421 1.00 0.00 C ATOM 804 O ASP A 131 4.410 12.202 -8.038 1.00 0.00 O ATOM 805 CB ASP A 131 1.486 11.532 -8.260 1.00 0.00 C ATOM 806 CG ASP A 131 1.238 10.514 -7.155 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.197 9.905 -6.714 1.00 0.00 O ATOM 808 OD2 ASP A 131 0.092 10.361 -6.763 1.00 0.00 O ATOM 0 H ASP A 131 1.994 9.091 -8.766 1.00 0.00 H new ATOM 0 HA ASP A 131 2.638 11.678 -10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.736 12.501 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.581 11.671 -8.851 1.00 0.00 H new ATOM 813 N GLY A 132 4.547 9.953 -8.251 1.00 0.00 N ATOM 814 CA GLY A 132 5.829 9.842 -7.581 1.00 0.00 C ATOM 815 C GLY A 132 5.753 10.359 -6.147 1.00 0.00 C ATOM 816 O GLY A 132 6.776 10.538 -5.485 1.00 0.00 O ATOM 0 H GLY A 132 4.161 9.065 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.151 8.801 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.580 10.406 -8.134 1.00 0.00 H new ATOM 820 N ASP A 133 4.535 10.615 -5.682 1.00 0.00 N ATOM 821 CA ASP A 133 4.338 11.131 -4.327 1.00 0.00 C ATOM 822 C ASP A 133 5.220 10.375 -3.333 1.00 0.00 C ATOM 823 O ASP A 133 5.502 10.866 -2.241 1.00 0.00 O ATOM 824 CB ASP A 133 2.876 10.982 -3.905 1.00 0.00 C ATOM 825 CG ASP A 133 1.984 11.883 -4.747 1.00 0.00 C ATOM 826 OD1 ASP A 133 2.495 12.839 -5.308 1.00 0.00 O ATOM 827 OD2 ASP A 133 0.798 11.596 -4.827 1.00 0.00 O ATOM 0 H ASP A 133 3.676 10.476 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 133 4.611 12.186 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.563 9.944 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.768 11.236 -2.851 1.00 0.00 H new ATOM 832 N GLY A 134 5.653 9.178 -3.724 1.00 0.00 N ATOM 833 CA GLY A 134 6.505 8.356 -2.864 1.00 0.00 C ATOM 834 C GLY A 134 5.666 7.504 -1.920 1.00 0.00 C ATOM 835 O GLY A 134 6.195 6.717 -1.138 1.00 0.00 O ATOM 0 H GLY A 134 5.430 8.757 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.135 7.712 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.171 8.997 -2.286 1.00 0.00 H new ATOM 839 N GLN A 135 4.352 7.660 -2.019 1.00 0.00 N ATOM 840 CA GLN A 135 3.418 6.902 -1.193 1.00 0.00 C ATOM 841 C GLN A 135 2.216 6.511 -2.024 1.00 0.00 C ATOM 842 O GLN A 135 1.921 7.146 -3.037 1.00 0.00 O ATOM 843 CB GLN A 135 2.942 7.739 -0.006 1.00 0.00 C ATOM 844 CG GLN A 135 4.037 7.817 1.045 1.00 0.00 C ATOM 845 CD GLN A 135 3.710 8.893 2.074 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.069 9.892 1.748 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.120 8.749 3.304 1.00 0.00 N ATOM 0 H GLN A 135 3.906 8.309 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 135 3.930 6.014 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.675 8.741 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.044 7.297 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.144 6.852 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.992 8.039 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.651 7.920 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.910 9.465 3.999 1.00 0.00 H new ATOM 856 N ILE A 136 1.514 5.472 -1.593 1.00 0.00 N ATOM 857 CA ILE A 136 0.331 5.024 -2.310 1.00 0.00 C ATOM 858 C ILE A 136 -0.892 5.497 -1.545 1.00 0.00 C ATOM 859 O ILE A 136 -1.195 4.991 -0.463 1.00 0.00 O ATOM 860 CB ILE A 136 0.350 3.484 -2.435 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.192 3.062 -3.645 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.066 2.931 -2.608 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.621 3.574 -3.478 1.00 0.00 C ATOM 0 H ILE A 136 1.741 4.929 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 136 0.309 5.439 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 136 0.783 3.083 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.193 1.976 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.757 3.461 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.025 1.845 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.671 3.204 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.512 3.349 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.218 3.273 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.612 4.662 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 136 3.055 3.153 -2.571 1.00 0.00 H new ATOM 875 N ASN A 137 -1.612 6.442 -2.125 1.00 0.00 N ATOM 876 CA ASN A 137 -2.819 6.941 -1.502 1.00 0.00 C ATOM 877 C ASN A 137 -3.931 5.958 -1.822 1.00 0.00 C ATOM 878 O ASN A 137 -3.781 5.128 -2.718 1.00 0.00 O ATOM 879 CB ASN A 137 -3.147 8.336 -2.038 1.00 0.00 C ATOM 880 CG ASN A 137 -4.380 8.901 -1.341 1.00 0.00 C ATOM 881 OD1 ASN A 137 -4.777 8.410 -0.286 1.00 0.00 O ATOM 882 ND2 ASN A 137 -5.010 9.917 -1.869 1.00 0.00 N ATOM 0 H ASN A 137 -1.382 6.874 -3.020 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.696 7.029 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.297 9.001 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.320 8.287 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.832 10.304 -1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.679 10.323 -2.744 1.00 0.00 H new ATOM 889 N TYR A 138 -5.027 6.015 -1.092 1.00 0.00 N ATOM 890 CA TYR A 138 -6.107 5.074 -1.338 1.00 0.00 C ATOM 891 C TYR A 138 -6.504 5.075 -2.815 1.00 0.00 C ATOM 892 O TYR A 138 -6.665 4.014 -3.414 1.00 0.00 O ATOM 893 CB TYR A 138 -7.318 5.426 -0.473 1.00 0.00 C ATOM 894 CG TYR A 138 -8.467 4.540 -0.877 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.384 3.167 -0.654 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.597 5.083 -1.498 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.425 2.332 -1.043 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.643 4.246 -1.895 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.559 2.868 -1.666 1.00 0.00 C ATOM 900 OH TYR A 138 -11.589 2.038 -2.057 1.00 0.00 O ATOM 0 H TYR A 138 -5.194 6.684 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.757 4.076 -1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.084 5.285 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.584 6.475 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.509 2.751 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.661 6.147 -1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.359 1.269 -0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.515 4.662 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.054 2.433 -2.824 1.00 0.00 H new ATOM 910 N GLU A 139 -6.668 6.255 -3.393 1.00 0.00 N ATOM 911 CA GLU A 139 -7.059 6.351 -4.797 1.00 0.00 C ATOM 912 C GLU A 139 -6.062 5.627 -5.702 1.00 0.00 C ATOM 913 O GLU A 139 -6.455 4.916 -6.624 1.00 0.00 O ATOM 914 CB GLU A 139 -7.156 7.820 -5.205 1.00 0.00 C ATOM 915 CG GLU A 139 -5.818 8.514 -4.943 1.00 0.00 C ATOM 916 CD GLU A 139 -5.971 10.020 -5.109 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.994 10.540 -4.694 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.062 10.632 -5.644 1.00 0.00 O ATOM 0 H GLU A 139 -6.539 7.150 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.031 5.872 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.418 7.898 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.949 8.313 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.471 8.284 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.063 8.139 -5.634 1.00 0.00 H new ATOM 925 N GLU A 140 -4.777 5.819 -5.445 1.00 0.00 N ATOM 926 CA GLU A 140 -3.748 5.184 -6.253 1.00 0.00 C ATOM 927 C GLU A 140 -3.792 3.674 -6.056 1.00 0.00 C ATOM 928 O GLU A 140 -3.623 2.906 -7.003 1.00 0.00 O ATOM 929 CB GLU A 140 -2.382 5.725 -5.848 1.00 0.00 C ATOM 930 CG GLU A 140 -1.337 5.342 -6.894 1.00 0.00 C ATOM 931 CD GLU A 140 -0.014 6.012 -6.554 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.650 5.544 -5.644 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.321 6.983 -7.212 1.00 0.00 O ATOM 0 H GLU A 140 -4.424 6.405 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.925 5.405 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.427 6.809 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.098 5.325 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.213 4.259 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.669 5.650 -7.886 1.00 0.00 H new ATOM 940 N PHE A 141 -4.042 3.263 -4.816 1.00 0.00 N ATOM 941 CA PHE A 141 -4.137 1.848 -4.488 1.00 0.00 C ATOM 942 C PHE A 141 -5.296 1.231 -5.258 1.00 0.00 C ATOM 943 O PHE A 141 -5.230 0.096 -5.731 1.00 0.00 O ATOM 944 CB PHE A 141 -4.351 1.657 -2.983 1.00 0.00 C ATOM 945 CG PHE A 141 -4.274 0.182 -2.636 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.091 -0.538 -2.867 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.388 -0.472 -2.092 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.029 -1.898 -2.556 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.321 -1.832 -1.787 1.00 0.00 C ATOM 950 CZ PHE A 141 -4.141 -2.545 -2.020 1.00 0.00 C ATOM 0 H PHE A 141 -4.182 3.891 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.206 1.355 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.596 2.211 -2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.321 2.059 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.229 -0.040 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.300 0.077 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.117 -2.450 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.182 -2.334 -1.371 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.091 -3.598 -1.784 1.00 0.00 H new ATOM 960 N VAL A 142 -6.362 2.007 -5.377 1.00 0.00 N ATOM 961 CA VAL A 142 -7.549 1.575 -6.094 1.00 0.00 C ATOM 962 C VAL A 142 -7.228 1.425 -7.581 1.00 0.00 C ATOM 963 O VAL A 142 -7.661 0.470 -8.227 1.00 0.00 O ATOM 964 CB VAL A 142 -8.671 2.602 -5.882 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.858 2.286 -6.799 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.131 2.565 -4.414 1.00 0.00 C ATOM 0 H VAL A 142 -6.428 2.945 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.879 0.608 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.292 3.595 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.647 3.021 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.534 2.322 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.239 1.290 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.927 3.294 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.501 1.568 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.291 2.806 -3.763 1.00 0.00 H new ATOM 976 N LYS A 143 -6.472 2.381 -8.119 1.00 0.00 N ATOM 977 CA LYS A 143 -6.102 2.364 -9.534 1.00 0.00 C ATOM 978 C LYS A 143 -5.258 1.132 -9.886 1.00 0.00 C ATOM 979 O LYS A 143 -5.532 0.450 -10.875 1.00 0.00 O ATOM 980 CB LYS A 143 -5.289 3.628 -9.858 1.00 0.00 C ATOM 981 CG LYS A 143 -6.174 4.886 -9.806 1.00 0.00 C ATOM 982 CD LYS A 143 -6.934 5.057 -11.129 1.00 0.00 C ATOM 983 CE LYS A 143 -7.739 6.359 -11.094 1.00 0.00 C ATOM 984 NZ LYS A 143 -8.528 6.485 -12.353 1.00 0.00 N ATOM 0 H LYS A 143 -6.104 3.176 -7.597 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.020 2.330 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.468 3.728 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.844 3.534 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.881 4.808 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.558 5.765 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -6.233 5.073 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.601 4.210 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -8.406 6.365 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.069 7.212 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.076 7.369 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -7.882 6.497 -13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.177 5.677 -12.438 1.00 0.00 H new ATOM 998 N VAL A 144 -4.235 0.855 -9.080 1.00 0.00 N ATOM 999 CA VAL A 144 -3.361 -0.295 -9.325 1.00 0.00 C ATOM 1000 C VAL A 144 -4.058 -1.610 -8.987 1.00 0.00 C ATOM 1001 O VAL A 144 -3.980 -2.578 -9.743 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.091 -0.159 -8.477 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -2.475 -0.073 -7.000 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.187 -1.374 -8.696 1.00 0.00 C ATOM 0 H VAL A 144 -3.990 1.405 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.108 -0.309 -10.385 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.557 0.744 -8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.574 0.024 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -3.114 0.795 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -3.011 -0.977 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.286 -1.271 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.718 -2.280 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.911 -1.437 -9.749 1.00 0.00 H new ATOM 1014 N MET A 145 -4.725 -1.641 -7.839 1.00 0.00 N ATOM 1015 CA MET A 145 -5.416 -2.850 -7.398 1.00 0.00 C ATOM 1016 C MET A 145 -6.542 -3.207 -8.354 1.00 0.00 C ATOM 1017 O MET A 145 -6.693 -4.362 -8.754 1.00 0.00 O ATOM 1018 CB MET A 145 -5.987 -2.638 -5.993 1.00 0.00 C ATOM 1019 CG MET A 145 -6.639 -3.942 -5.469 1.00 0.00 C ATOM 1020 SD MET A 145 -6.226 -4.174 -3.717 1.00 0.00 S ATOM 1021 CE MET A 145 -4.822 -5.297 -3.948 1.00 0.00 C ATOM 0 H MET A 145 -4.803 -0.850 -7.200 1.00 0.00 H new ATOM 0 HA MET A 145 -4.698 -3.670 -7.383 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.193 -2.324 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.726 -1.837 -6.012 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.721 -3.894 -5.594 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.288 -4.794 -6.051 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.411 -5.570 -2.976 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.156 -6.196 -4.466 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.053 -4.801 -4.541 1.00 0.00 H new ATOM 1031 N MET A 146 -7.329 -2.206 -8.715 1.00 0.00 N ATOM 1032 CA MET A 146 -8.447 -2.421 -9.629 1.00 0.00 C ATOM 1033 C MET A 146 -7.936 -2.831 -11.009 1.00 0.00 C ATOM 1034 O MET A 146 -8.498 -3.717 -11.652 1.00 0.00 O ATOM 1035 CB MET A 146 -9.290 -1.146 -9.748 1.00 0.00 C ATOM 1036 CG MET A 146 -10.497 -1.410 -10.653 1.00 0.00 C ATOM 1037 SD MET A 146 -11.551 0.061 -10.701 1.00 0.00 S ATOM 1038 CE MET A 146 -10.727 0.887 -12.084 1.00 0.00 C ATOM 0 H MET A 146 -7.219 -1.244 -8.394 1.00 0.00 H new ATOM 0 HA MET A 146 -9.068 -3.222 -9.229 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.626 -0.827 -8.761 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.686 -0.336 -10.157 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.162 -1.663 -11.659 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.063 -2.264 -10.281 1.00 0.00 H new ATOM 0 HE1 MET A 146 -11.224 1.835 -12.290 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.684 1.072 -11.828 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.776 0.252 -12.969 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.864 -2.181 -11.456 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.283 -2.487 -12.761 1.00 0.00 C ATOM 1050 C ALA A 147 -5.748 -3.917 -12.785 1.00 0.00 C ATOM 1051 O ALA A 147 -6.142 -4.750 -11.970 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.150 -1.505 -13.070 1.00 0.00 C ATOM 0 H ALA A 147 -6.383 -1.445 -10.939 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.060 -2.391 -13.519 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.721 -1.739 -14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.543 -0.488 -13.081 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.378 -1.588 -12.305 1.00 0.00 H new ATOM 1058 N LYS A 148 -4.847 -4.195 -13.725 1.00 0.00 N ATOM 1059 CA LYS A 148 -4.263 -5.528 -13.844 1.00 0.00 C ATOM 1060 C LYS A 148 -5.338 -6.604 -13.703 1.00 0.00 C ATOM 1061 O LYS A 148 -6.288 -6.569 -14.465 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.193 -5.728 -12.770 1.00 0.00 C ATOM 1063 CG LYS A 148 -2.003 -4.812 -13.061 1.00 0.00 C ATOM 1064 CD LYS A 148 -0.918 -5.027 -12.003 1.00 0.00 C ATOM 1065 CE LYS A 148 0.310 -4.185 -12.355 1.00 0.00 C ATOM 1066 NZ LYS A 148 -0.059 -2.742 -12.347 1.00 0.00 N ATOM 1067 OXT LYS A 148 -5.192 -7.447 -12.833 1.00 0.00 O ATOM 0 H LYS A 148 -4.508 -3.520 -14.410 1.00 0.00 H new ATOM 0 HA LYS A 148 -3.808 -5.616 -14.831 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -3.605 -5.506 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.869 -6.769 -12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -1.604 -5.022 -14.053 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.324 -3.770 -13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -1.294 -4.748 -11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -0.647 -6.082 -11.953 1.00 0.00 H new ATOM 0 HE2 LYS A 148 1.109 -4.371 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 148 0.690 -4.469 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 0.791 -2.167 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -0.475 -2.485 -13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -0.751 -2.565 -11.592 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.258 6.554 6.067 1.00 0.00 CA HETATM 1083 CA CA A 234 0.774 8.494 -5.034 1.00 0.00 CA