USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 417 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 95 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.648) USER MOD Single : A 100 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 1.49 (180deg=1.32) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 131 MET CE :methyl -164:sc= -1.06 (180deg=-1.7) USER MOD Single : A 132 LYS NZ :NH3+ 170:sc= 2.08 (180deg=1.24) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 148 MET CE :methyl 167:sc= -0.288 (180deg=-0.668) USER MOD Single : A 152 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.699) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -4.300 -12.261 -1.517 1.00 0.00 N ATOM 32 CA GLU A 89 -3.461 -11.406 -0.613 1.00 0.00 C ATOM 33 C GLU A 89 -3.389 -9.878 -1.002 1.00 0.00 C ATOM 34 O GLU A 89 -3.861 -8.989 -0.269 1.00 0.00 O ATOM 35 CB GLU A 89 -2.093 -12.175 -0.563 1.00 0.00 C ATOM 36 CG GLU A 89 -0.867 -11.517 0.134 1.00 0.00 C ATOM 37 CD GLU A 89 0.212 -10.966 -0.801 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.928 -11.765 -1.451 1.00 0.00 O ATOM 39 OE2 GLU A 89 0.350 -9.730 -0.882 1.00 0.00 O ATOM 0 HA GLU A 89 -3.896 -11.295 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.274 -13.131 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.805 -12.395 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.225 -10.703 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.408 -12.254 0.793 1.00 0.00 H new ATOM 46 N ILE A 90 -2.878 -9.634 -2.218 1.00 0.00 N ATOM 47 CA ILE A 90 -2.699 -8.289 -2.808 1.00 0.00 C ATOM 48 C ILE A 90 -4.029 -7.610 -3.196 1.00 0.00 C ATOM 49 O ILE A 90 -4.221 -6.468 -2.776 1.00 0.00 O ATOM 50 CB ILE A 90 -1.804 -8.279 -4.103 1.00 0.00 C ATOM 51 CG1 ILE A 90 -0.716 -9.361 -4.284 1.00 0.00 C ATOM 52 CG2 ILE A 90 -1.289 -6.905 -4.518 1.00 0.00 C ATOM 53 CD1 ILE A 90 -1.348 -10.694 -4.701 1.00 0.00 C ATOM 0 H ILE A 90 -2.568 -10.382 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.207 -7.739 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.573 -8.595 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.002 -9.040 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.164 -9.489 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.683 -7.000 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.133 -6.245 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.682 -6.486 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.567 -11.444 -4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.048 -11.021 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.879 -10.566 -5.644 1.00 0.00 H new ATOM 65 N LEU A 91 -4.909 -8.249 -4.019 1.00 0.00 N ATOM 66 CA LEU A 91 -6.177 -7.588 -4.421 1.00 0.00 C ATOM 67 C LEU A 91 -7.058 -7.287 -3.159 1.00 0.00 C ATOM 68 O LEU A 91 -7.543 -6.164 -3.053 1.00 0.00 O ATOM 69 CB LEU A 91 -6.830 -8.331 -5.632 1.00 0.00 C ATOM 70 CG LEU A 91 -8.233 -9.012 -5.567 1.00 0.00 C ATOM 71 CD1 LEU A 91 -8.885 -9.103 -6.964 1.00 0.00 C ATOM 72 CD2 LEU A 91 -8.215 -10.420 -4.956 1.00 0.00 C ATOM 0 H LEU A 91 -4.770 -9.184 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.005 -6.593 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.876 -7.609 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.126 -9.106 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.817 -8.366 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.860 -9.583 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.008 -8.101 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.248 -9.690 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.227 -10.825 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.571 -11.067 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.835 -10.369 -3.936 1.00 0.00 H new ATOM 84 N ARG A 92 -7.149 -8.184 -2.147 1.00 0.00 N ATOM 85 CA ARG A 92 -7.887 -7.917 -0.891 1.00 0.00 C ATOM 86 C ARG A 92 -7.258 -6.708 -0.124 1.00 0.00 C ATOM 87 O ARG A 92 -7.962 -5.700 0.034 1.00 0.00 O ATOM 88 CB ARG A 92 -7.947 -9.225 -0.049 1.00 0.00 C ATOM 89 CG ARG A 92 -8.904 -9.250 1.170 1.00 0.00 C ATOM 90 CD ARG A 92 -10.315 -9.817 0.901 1.00 0.00 C ATOM 91 NE ARG A 92 -11.180 -8.875 0.138 1.00 0.00 N ATOM 92 CZ ARG A 92 -11.467 -8.952 -1.164 1.00 0.00 C ATOM 93 NH1 ARG A 92 -11.050 -9.895 -1.977 1.00 0.00 N ATOM 94 NH2 ARG A 92 -12.214 -8.014 -1.671 1.00 0.00 N ATOM 0 H ARG A 92 -6.715 -9.107 -2.179 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.913 -7.622 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.229 -10.041 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.940 -9.440 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.440 -9.839 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.007 -8.233 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.226 -10.752 0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.794 -10.054 1.851 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.591 -8.100 0.658 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.458 -10.647 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.319 -9.876 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.556 -7.258 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.457 -8.035 -2.661 1.00 0.00 H new ATOM 108 N ALA A 93 -5.946 -6.750 0.246 1.00 0.00 N ATOM 109 CA ALA A 93 -5.327 -5.628 0.991 1.00 0.00 C ATOM 110 C ALA A 93 -5.217 -4.289 0.230 1.00 0.00 C ATOM 111 O ALA A 93 -5.780 -3.307 0.720 1.00 0.00 O ATOM 112 CB ALA A 93 -3.978 -6.089 1.578 1.00 0.00 C ATOM 0 H ALA A 93 -5.317 -7.527 0.045 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.019 -5.381 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.520 -5.266 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.143 -6.928 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.316 -6.399 0.769 1.00 0.00 H new ATOM 118 N PHE A 94 -4.555 -4.234 -0.940 1.00 0.00 N ATOM 119 CA PHE A 94 -4.449 -2.980 -1.732 1.00 0.00 C ATOM 120 C PHE A 94 -5.810 -2.472 -2.244 1.00 0.00 C ATOM 121 O PHE A 94 -6.044 -1.269 -2.119 1.00 0.00 O ATOM 122 CB PHE A 94 -3.510 -3.130 -2.963 1.00 0.00 C ATOM 123 CG PHE A 94 -3.062 -1.792 -3.595 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.953 -1.088 -4.414 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.838 -1.204 -3.272 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.651 0.190 -4.850 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.503 0.058 -3.760 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.450 0.775 -4.497 1.00 0.00 C ATOM 0 H PHE A 94 -4.085 -5.035 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.033 -2.257 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.624 -3.690 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.019 -3.723 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.885 -1.547 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.143 -1.733 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.354 0.730 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.525 0.476 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.242 1.793 -4.792 1.00 0.00 H new ATOM 138 N LYS A 95 -6.667 -3.327 -2.848 1.00 0.00 N ATOM 139 CA LYS A 95 -7.983 -2.838 -3.351 1.00 0.00 C ATOM 140 C LYS A 95 -8.907 -2.390 -2.148 1.00 0.00 C ATOM 141 O LYS A 95 -9.773 -1.545 -2.391 1.00 0.00 O ATOM 142 CB LYS A 95 -8.583 -3.786 -4.423 1.00 0.00 C ATOM 143 CG LYS A 95 -7.591 -4.206 -5.569 1.00 0.00 C ATOM 144 CD LYS A 95 -8.288 -5.041 -6.669 1.00 0.00 C ATOM 145 CE LYS A 95 -7.389 -5.379 -7.884 1.00 0.00 C ATOM 146 NZ LYS A 95 -7.506 -4.325 -8.920 1.00 0.00 N ATOM 0 H LYS A 95 -6.488 -4.320 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.859 -1.918 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.945 -4.687 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.449 -3.300 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.155 -3.312 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.770 -4.783 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.647 -5.971 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.164 -4.496 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.351 -5.469 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.678 -6.343 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.757 -4.452 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.436 -4.393 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.407 -3.390 -8.476 1.00 0.00 H new ATOM 160 N VAL A 96 -8.736 -2.892 -0.879 1.00 0.00 N ATOM 161 CA VAL A 96 -9.433 -2.300 0.311 1.00 0.00 C ATOM 162 C VAL A 96 -8.826 -0.885 0.577 1.00 0.00 C ATOM 163 O VAL A 96 -9.569 0.086 0.749 1.00 0.00 O ATOM 164 CB VAL A 96 -9.293 -3.177 1.616 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.385 -2.484 3.009 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.383 -4.216 1.580 1.00 0.00 C ATOM 0 H VAL A 96 -8.135 -3.687 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.497 -2.250 0.080 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.267 -3.542 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.268 -3.230 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.595 -1.738 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.356 -1.999 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.318 -4.843 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.355 -3.723 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.266 -4.835 0.690 1.00 0.00 H new ATOM 176 N PHE A 97 -7.479 -0.814 0.633 1.00 0.00 N ATOM 177 CA PHE A 97 -6.725 0.409 0.911 1.00 0.00 C ATOM 178 C PHE A 97 -6.971 1.628 -0.055 1.00 0.00 C ATOM 179 O PHE A 97 -6.992 2.772 0.405 1.00 0.00 O ATOM 180 CB PHE A 97 -5.231 -0.008 1.005 1.00 0.00 C ATOM 181 CG PHE A 97 -4.462 0.659 2.142 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.085 1.993 2.018 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.124 -0.048 3.304 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.351 2.606 3.017 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.413 0.580 4.323 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.030 1.911 4.180 1.00 0.00 C ATOM 0 H PHE A 97 -6.881 -1.626 0.482 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.091 0.826 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.175 -1.089 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.740 0.230 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.367 2.552 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.416 -1.082 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.025 3.628 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.159 0.037 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.484 2.404 4.971 1.00 0.00 H new ATOM 196 N ASP A 98 -7.148 1.367 -1.371 1.00 0.00 N ATOM 197 CA ASP A 98 -7.424 2.370 -2.434 1.00 0.00 C ATOM 198 C ASP A 98 -8.772 3.121 -2.209 1.00 0.00 C ATOM 199 O ASP A 98 -9.854 2.520 -2.301 1.00 0.00 O ATOM 200 CB ASP A 98 -7.349 1.585 -3.759 1.00 0.00 C ATOM 201 CG ASP A 98 -7.732 2.225 -5.073 1.00 0.00 C ATOM 202 OD1 ASP A 98 -7.498 3.447 -5.276 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.261 1.516 -5.953 1.00 0.00 O ATOM 0 H ASP A 98 -7.101 0.417 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.696 3.181 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.322 1.235 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.976 0.702 -3.641 1.00 0.00 H new ATOM 208 N ALA A 99 -8.694 4.426 -1.885 1.00 0.00 N ATOM 209 CA ALA A 99 -9.918 5.248 -1.694 1.00 0.00 C ATOM 210 C ALA A 99 -10.592 5.738 -3.011 1.00 0.00 C ATOM 211 O ALA A 99 -11.810 5.937 -2.985 1.00 0.00 O ATOM 212 CB ALA A 99 -9.636 6.450 -0.787 1.00 0.00 C ATOM 0 H ALA A 99 -7.818 4.931 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.630 4.572 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.548 7.035 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.296 6.099 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.864 7.073 -1.238 1.00 0.00 H new ATOM 218 N ASN A 100 -9.856 5.937 -4.138 1.00 0.00 N ATOM 219 CA ASN A 100 -10.466 6.401 -5.412 1.00 0.00 C ATOM 220 C ASN A 100 -11.273 5.333 -6.243 1.00 0.00 C ATOM 221 O ASN A 100 -11.692 5.663 -7.360 1.00 0.00 O ATOM 222 CB ASN A 100 -9.408 7.116 -6.322 1.00 0.00 C ATOM 223 CG ASN A 100 -8.389 6.249 -7.139 1.00 0.00 C ATOM 224 OD1 ASN A 100 -8.262 5.043 -6.923 1.00 0.00 O ATOM 225 ND2 ASN A 100 -7.655 6.771 -8.123 1.00 0.00 N ATOM 0 H ASN A 100 -8.849 5.785 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.225 7.109 -5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.953 7.737 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -8.831 7.789 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.023 6.176 -8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.726 7.765 -8.340 1.00 0.00 H new ATOM 232 N GLY A 101 -11.553 4.113 -5.732 1.00 0.00 N ATOM 233 CA GLY A 101 -12.291 3.080 -6.529 1.00 0.00 C ATOM 234 C GLY A 101 -11.512 2.147 -7.513 1.00 0.00 C ATOM 235 O GLY A 101 -12.124 1.363 -8.241 1.00 0.00 O ATOM 0 H GLY A 101 -11.290 3.814 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.816 2.438 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.051 3.602 -7.110 1.00 0.00 H new ATOM 239 N ASP A 102 -10.176 2.224 -7.490 1.00 0.00 N ATOM 240 CA ASP A 102 -9.182 1.396 -8.132 1.00 0.00 C ATOM 241 C ASP A 102 -8.239 2.068 -9.213 1.00 0.00 C ATOM 242 O ASP A 102 -8.587 2.598 -10.273 1.00 0.00 O ATOM 243 CB ASP A 102 -9.327 -0.130 -8.341 1.00 0.00 C ATOM 244 CG ASP A 102 -8.052 -0.854 -7.757 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.047 -0.227 -7.256 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.067 -2.093 -7.854 1.00 0.00 O ATOM 0 H ASP A 102 -9.725 2.963 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.694 1.367 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.227 -0.494 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.435 -0.356 -9.402 1.00 0.00 H new ATOM 251 N GLY A 103 -6.997 1.811 -8.836 1.00 0.00 N ATOM 252 CA GLY A 103 -5.697 2.072 -9.399 1.00 0.00 C ATOM 253 C GLY A 103 -4.817 3.025 -8.594 1.00 0.00 C ATOM 254 O GLY A 103 -3.808 3.444 -9.161 1.00 0.00 O ATOM 0 H GLY A 103 -6.869 1.317 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.170 1.124 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.829 2.483 -10.400 1.00 0.00 H new ATOM 258 N VAL A 104 -5.171 3.363 -7.321 1.00 0.00 N ATOM 259 CA VAL A 104 -4.309 4.290 -6.497 1.00 0.00 C ATOM 260 C VAL A 104 -4.676 4.439 -4.968 1.00 0.00 C ATOM 261 O VAL A 104 -5.830 4.378 -4.548 1.00 0.00 O ATOM 262 CB VAL A 104 -4.107 5.727 -7.156 1.00 0.00 C ATOM 263 CG1 VAL A 104 -4.667 6.978 -6.446 1.00 0.00 C ATOM 264 CG2 VAL A 104 -2.666 5.965 -7.666 1.00 0.00 C ATOM 0 H VAL A 104 -6.011 3.028 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.360 3.754 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.792 5.630 -7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.437 7.865 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.748 6.883 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.212 7.071 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.595 6.961 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.967 5.883 -6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.419 5.219 -8.421 1.00 0.00 H new ATOM 274 N ILE A 105 -3.641 4.837 -4.210 1.00 0.00 N ATOM 275 CA ILE A 105 -3.667 5.164 -2.752 1.00 0.00 C ATOM 276 C ILE A 105 -2.909 6.513 -2.553 1.00 0.00 C ATOM 277 O ILE A 105 -1.749 6.620 -2.949 1.00 0.00 O ATOM 278 CB ILE A 105 -2.951 4.133 -1.799 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.599 2.732 -1.823 1.00 0.00 C ATOM 280 CG2 ILE A 105 -2.884 4.585 -0.298 1.00 0.00 C ATOM 281 CD1 ILE A 105 -2.677 1.671 -1.213 1.00 0.00 C ATOM 0 H ILE A 105 -2.708 4.949 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.723 5.173 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.941 4.091 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.540 2.757 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.838 2.459 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.377 3.820 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.334 5.523 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.895 4.726 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.168 0.699 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.747 1.628 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.459 1.930 -0.177 1.00 0.00 H new ATOM 293 N ASP A 106 -3.524 7.469 -1.829 1.00 0.00 N ATOM 294 CA ASP A 106 -2.893 8.777 -1.471 1.00 0.00 C ATOM 295 C ASP A 106 -2.545 8.823 0.085 1.00 0.00 C ATOM 296 O ASP A 106 -2.922 7.927 0.856 1.00 0.00 O ATOM 297 CB ASP A 106 -3.758 9.966 -1.948 1.00 0.00 C ATOM 298 CG ASP A 106 -3.739 10.342 -3.427 1.00 0.00 C ATOM 299 OD1 ASP A 106 -4.556 9.807 -4.206 1.00 0.00 O ATOM 300 OD2 ASP A 106 -2.903 11.189 -3.814 1.00 0.00 O ATOM 0 H ASP A 106 -4.473 7.366 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.946 8.872 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.791 9.753 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.453 10.845 -1.380 1.00 0.00 H new ATOM 305 N PHE A 107 -1.808 9.861 0.562 1.00 0.00 N ATOM 306 CA PHE A 107 -1.352 9.970 1.987 1.00 0.00 C ATOM 307 C PHE A 107 -2.443 10.107 3.090 1.00 0.00 C ATOM 308 O PHE A 107 -2.468 9.268 4.003 1.00 0.00 O ATOM 309 CB PHE A 107 -0.242 11.068 2.084 1.00 0.00 C ATOM 310 CG PHE A 107 0.293 11.394 3.499 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.749 10.381 4.356 1.00 0.00 C ATOM 312 CD2 PHE A 107 0.177 12.700 3.991 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.044 10.673 5.681 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.510 12.991 5.310 1.00 0.00 C ATOM 315 CZ PHE A 107 0.938 11.976 6.157 1.00 0.00 C ATOM 0 H PHE A 107 -1.511 10.644 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 107 -0.948 8.988 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 107 0.600 10.756 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.634 11.987 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.871 9.374 3.985 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.174 13.488 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.358 9.883 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.436 14.005 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.188 12.198 7.184 1.00 0.00 H new ATOM 325 N ASP A 108 -3.286 11.156 3.071 1.00 0.00 N ATOM 326 CA ASP A 108 -4.369 11.298 4.110 1.00 0.00 C ATOM 327 C ASP A 108 -5.379 10.082 4.109 1.00 0.00 C ATOM 328 O ASP A 108 -5.896 9.737 5.176 1.00 0.00 O ATOM 329 CB ASP A 108 -5.048 12.693 4.073 1.00 0.00 C ATOM 330 CG ASP A 108 -4.169 13.807 4.668 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.173 13.996 5.908 1.00 0.00 O ATOM 332 OD2 ASP A 108 -3.432 14.467 3.908 1.00 0.00 O ATOM 0 H ASP A 108 -3.257 11.905 2.379 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.881 11.250 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.293 12.944 3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.988 12.648 4.622 1.00 0.00 H new ATOM 337 N GLU A 109 -5.580 9.384 2.966 1.00 0.00 N ATOM 338 CA GLU A 109 -6.385 8.131 2.878 1.00 0.00 C ATOM 339 C GLU A 109 -5.720 6.987 3.737 1.00 0.00 C ATOM 340 O GLU A 109 -6.428 6.253 4.425 1.00 0.00 O ATOM 341 CB GLU A 109 -6.563 7.664 1.403 1.00 0.00 C ATOM 342 CG GLU A 109 -7.071 8.687 0.354 1.00 0.00 C ATOM 343 CD GLU A 109 -8.279 9.547 0.730 1.00 0.00 C ATOM 344 OE1 GLU A 109 -9.322 8.991 1.134 1.00 0.00 O ATOM 345 OE2 GLU A 109 -8.186 10.784 0.601 1.00 0.00 O ATOM 0 H GLU A 109 -5.187 9.672 2.070 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.375 8.347 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.601 7.287 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.254 6.821 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.246 9.356 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.318 8.140 -0.556 1.00 0.00 H new ATOM 352 N PHE A 110 -4.367 6.851 3.679 1.00 0.00 N ATOM 353 CA PHE A 110 -3.553 5.902 4.498 1.00 0.00 C ATOM 354 C PHE A 110 -3.703 6.253 6.012 1.00 0.00 C ATOM 355 O PHE A 110 -4.075 5.376 6.810 1.00 0.00 O ATOM 356 CB PHE A 110 -2.079 6.009 3.951 1.00 0.00 C ATOM 357 CG PHE A 110 -1.019 4.922 4.249 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.729 4.494 5.550 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.300 4.364 3.182 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.266 3.542 5.778 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.685 3.408 3.410 1.00 0.00 C ATOM 362 CZ PHE A 110 0.978 3.007 4.707 1.00 0.00 C ATOM 0 H PHE A 110 -3.795 7.411 3.046 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.882 4.866 4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.150 6.091 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.674 6.953 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.280 4.904 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.513 4.680 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.484 3.220 6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.222 2.977 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.757 2.281 4.885 1.00 0.00 H new ATOM 372 N LYS A 111 -3.451 7.536 6.379 1.00 0.00 N ATOM 373 CA LYS A 111 -3.649 8.043 7.779 1.00 0.00 C ATOM 374 C LYS A 111 -5.065 7.725 8.390 1.00 0.00 C ATOM 375 O LYS A 111 -5.163 7.294 9.541 1.00 0.00 O ATOM 376 CB LYS A 111 -3.345 9.556 7.674 1.00 0.00 C ATOM 377 CG LYS A 111 -3.347 10.405 8.968 1.00 0.00 C ATOM 378 CD LYS A 111 -3.314 11.922 8.682 1.00 0.00 C ATOM 379 CE LYS A 111 -2.088 12.397 7.876 1.00 0.00 C ATOM 380 NZ LYS A 111 -2.198 13.861 7.706 1.00 0.00 N ATOM 0 H LYS A 111 -3.110 8.245 5.730 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.990 7.537 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.365 9.665 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.073 9.993 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.236 10.168 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.484 10.135 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.218 12.196 8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.338 12.458 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.166 12.141 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.053 11.901 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.438 14.196 7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.121 14.093 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.113 14.325 8.633 1.00 0.00 H new ATOM 394 N PHE A 112 -6.128 7.936 7.591 1.00 0.00 N ATOM 395 CA PHE A 112 -7.538 7.640 7.938 1.00 0.00 C ATOM 396 C PHE A 112 -7.812 6.107 8.095 1.00 0.00 C ATOM 397 O PHE A 112 -8.336 5.689 9.130 1.00 0.00 O ATOM 398 CB PHE A 112 -8.389 8.308 6.805 1.00 0.00 C ATOM 399 CG PHE A 112 -9.875 7.927 6.701 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.758 8.266 7.729 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.345 7.189 5.606 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.096 7.893 7.658 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.685 6.820 5.534 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.561 7.172 6.559 1.00 0.00 C ATOM 0 H PHE A 112 -6.030 8.330 6.655 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.804 8.043 8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.329 9.389 6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.917 8.075 5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.400 8.821 8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.665 6.906 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.775 8.162 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.046 6.261 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.601 6.886 6.502 1.00 0.00 H new ATOM 414 N ILE A 113 -7.467 5.296 7.074 1.00 0.00 N ATOM 415 CA ILE A 113 -7.693 3.822 7.065 1.00 0.00 C ATOM 416 C ILE A 113 -6.871 2.975 8.062 1.00 0.00 C ATOM 417 O ILE A 113 -7.297 1.855 8.352 1.00 0.00 O ATOM 418 CB ILE A 113 -7.595 3.376 5.562 1.00 0.00 C ATOM 419 CG1 ILE A 113 -8.706 2.364 5.190 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.217 2.900 5.092 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.120 2.364 3.712 1.00 0.00 C ATOM 0 H ILE A 113 -7.021 5.640 6.224 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.683 3.615 7.471 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.757 4.299 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.367 1.363 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.586 2.575 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.269 2.618 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.492 3.704 5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.908 2.038 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.903 1.622 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.495 3.351 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.257 2.119 3.092 1.00 0.00 H new ATOM 433 N MET A 114 -5.718 3.473 8.558 1.00 0.00 N ATOM 434 CA MET A 114 -4.948 2.784 9.652 1.00 0.00 C ATOM 435 C MET A 114 -5.888 2.429 10.873 1.00 0.00 C ATOM 436 O MET A 114 -5.881 1.305 11.377 1.00 0.00 O ATOM 437 CB MET A 114 -3.792 3.711 10.155 1.00 0.00 C ATOM 438 CG MET A 114 -2.939 3.175 11.324 1.00 0.00 C ATOM 439 SD MET A 114 -1.189 3.092 10.878 1.00 0.00 S ATOM 440 CE MET A 114 -1.120 1.576 9.907 1.00 0.00 C ATOM 0 H MET A 114 -5.291 4.340 8.232 1.00 0.00 H new ATOM 0 HA MET A 114 -4.537 1.861 9.242 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.129 3.916 9.315 1.00 0.00 H new ATOM 0 HB3 MET A 114 -4.226 4.664 10.458 1.00 0.00 H new ATOM 0 HG2 MET A 114 -3.064 3.820 12.194 1.00 0.00 H new ATOM 0 HG3 MET A 114 -3.291 2.184 11.609 1.00 0.00 H new ATOM 0 HE1 MET A 114 -0.097 1.406 9.570 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.444 0.736 10.521 1.00 0.00 H new ATOM 0 HE3 MET A 114 -1.777 1.668 9.042 1.00 0.00 H new ATOM 575 N THR A 123 1.208 8.139 15.105 1.00 0.00 N ATOM 576 CA THR A 123 1.603 9.556 15.096 1.00 0.00 C ATOM 577 C THR A 123 1.668 9.876 13.564 1.00 0.00 C ATOM 578 O THR A 123 2.091 9.044 12.743 1.00 0.00 O ATOM 579 CB THR A 123 2.966 9.851 15.763 1.00 0.00 C ATOM 580 OG1 THR A 123 4.023 9.103 15.180 1.00 0.00 O ATOM 581 CG2 THR A 123 2.972 9.624 17.277 1.00 0.00 C ATOM 0 HA THR A 123 0.904 10.162 15.673 1.00 0.00 H new ATOM 0 HB THR A 123 3.130 10.913 15.583 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.865 9.321 15.630 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.961 9.851 17.675 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.234 10.275 17.745 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.725 8.584 17.490 1.00 0.00 H new ATOM 589 N ASP A 124 1.285 11.101 13.158 1.00 0.00 N ATOM 590 CA ASP A 124 1.328 11.516 11.715 1.00 0.00 C ATOM 591 C ASP A 124 2.734 11.343 11.018 1.00 0.00 C ATOM 592 O ASP A 124 2.808 10.982 9.835 1.00 0.00 O ATOM 593 CB ASP A 124 0.736 12.955 11.570 1.00 0.00 C ATOM 594 CG ASP A 124 -0.751 13.042 11.193 1.00 0.00 C ATOM 595 OD1 ASP A 124 -1.545 12.161 11.580 1.00 0.00 O ATOM 596 OD2 ASP A 124 -1.124 13.991 10.463 1.00 0.00 O ATOM 0 H ASP A 124 0.943 11.825 13.790 1.00 0.00 H new ATOM 0 HA ASP A 124 0.699 10.820 11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 124 0.882 13.482 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.313 13.488 10.814 1.00 0.00 H new ATOM 601 N ALA A 125 3.825 11.546 11.786 1.00 0.00 N ATOM 602 CA ALA A 125 5.217 11.334 11.329 1.00 0.00 C ATOM 603 C ALA A 125 5.508 9.845 10.960 1.00 0.00 C ATOM 604 O ALA A 125 6.090 9.612 9.893 1.00 0.00 O ATOM 605 CB ALA A 125 6.139 11.844 12.447 1.00 0.00 C ATOM 0 H ALA A 125 3.765 11.866 12.753 1.00 0.00 H new ATOM 0 HA ALA A 125 5.394 11.886 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.179 11.707 12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 125 5.948 12.903 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.945 11.285 13.362 1.00 0.00 H new ATOM 611 N GLU A 126 5.101 8.850 11.798 1.00 0.00 N ATOM 612 CA GLU A 126 5.285 7.403 11.470 1.00 0.00 C ATOM 613 C GLU A 126 4.462 6.971 10.206 1.00 0.00 C ATOM 614 O GLU A 126 4.999 6.203 9.400 1.00 0.00 O ATOM 615 CB GLU A 126 4.994 6.463 12.673 1.00 0.00 C ATOM 616 CG GLU A 126 5.866 6.684 13.940 1.00 0.00 C ATOM 617 CD GLU A 126 6.400 5.431 14.617 1.00 0.00 C ATOM 618 OE1 GLU A 126 5.655 4.809 15.404 1.00 0.00 O ATOM 619 OE2 GLU A 126 7.576 5.081 14.384 1.00 0.00 O ATOM 0 H GLU A 126 4.648 9.019 12.696 1.00 0.00 H new ATOM 0 HA GLU A 126 6.343 7.292 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.947 6.578 12.953 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.124 5.433 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.713 7.313 13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.277 7.242 14.668 1.00 0.00 H new ATOM 626 N VAL A 127 3.199 7.454 10.020 1.00 0.00 N ATOM 627 CA VAL A 127 2.387 7.148 8.803 1.00 0.00 C ATOM 628 C VAL A 127 3.020 7.823 7.529 1.00 0.00 C ATOM 629 O VAL A 127 3.050 7.176 6.472 1.00 0.00 O ATOM 630 CB VAL A 127 0.851 7.409 9.059 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.173 8.794 8.945 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.012 6.463 8.202 1.00 0.00 C ATOM 0 H VAL A 127 2.723 8.054 10.694 1.00 0.00 H new ATOM 0 HA VAL A 127 2.424 6.082 8.580 1.00 0.00 H new ATOM 0 HB VAL A 127 0.886 7.251 10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.889 8.699 9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.634 9.484 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.295 9.177 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.067 6.659 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.203 6.631 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.217 5.429 8.459 1.00 0.00 H new ATOM 642 N GLU A 128 3.581 9.063 7.630 1.00 0.00 N ATOM 643 CA GLU A 128 4.288 9.733 6.496 1.00 0.00 C ATOM 644 C GLU A 128 5.602 8.974 6.100 1.00 0.00 C ATOM 645 O GLU A 128 5.833 8.728 4.911 1.00 0.00 O ATOM 646 CB GLU A 128 4.462 11.234 6.892 1.00 0.00 C ATOM 647 CG GLU A 128 4.698 12.262 5.756 1.00 0.00 C ATOM 648 CD GLU A 128 6.077 12.286 5.128 1.00 0.00 C ATOM 649 OE1 GLU A 128 7.062 12.616 5.823 1.00 0.00 O ATOM 650 OE2 GLU A 128 6.203 11.949 3.936 1.00 0.00 O ATOM 0 H GLU A 128 3.557 9.619 8.485 1.00 0.00 H new ATOM 0 HA GLU A 128 3.709 9.698 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.571 11.540 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.301 11.302 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.970 12.070 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.487 13.256 6.149 1.00 0.00 H new ATOM 657 N GLU A 129 6.443 8.554 7.072 1.00 0.00 N ATOM 658 CA GLU A 129 7.669 7.760 6.789 1.00 0.00 C ATOM 659 C GLU A 129 7.362 6.321 6.230 1.00 0.00 C ATOM 660 O GLU A 129 8.023 5.892 5.274 1.00 0.00 O ATOM 661 CB GLU A 129 8.592 7.806 8.037 1.00 0.00 C ATOM 662 CG GLU A 129 10.102 7.614 7.717 1.00 0.00 C ATOM 663 CD GLU A 129 10.762 8.675 6.830 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.429 9.877 6.941 1.00 0.00 O ATOM 665 OE2 GLU A 129 11.593 8.299 5.984 1.00 0.00 O ATOM 0 H GLU A 129 6.298 8.750 8.062 1.00 0.00 H new ATOM 0 HA GLU A 129 8.218 8.214 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.457 8.763 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.278 7.031 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.646 7.574 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.226 6.644 7.236 1.00 0.00 H new ATOM 672 N ALA A 130 6.342 5.612 6.779 1.00 0.00 N ATOM 673 CA ALA A 130 5.903 4.277 6.281 1.00 0.00 C ATOM 674 C ALA A 130 5.368 4.355 4.818 1.00 0.00 C ATOM 675 O ALA A 130 5.816 3.547 3.984 1.00 0.00 O ATOM 676 CB ALA A 130 4.886 3.654 7.253 1.00 0.00 C ATOM 0 H ALA A 130 5.801 5.946 7.577 1.00 0.00 H new ATOM 0 HA ALA A 130 6.770 3.617 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.574 2.680 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.346 3.534 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.017 4.306 7.337 1.00 0.00 H new ATOM 682 N MET A 131 4.461 5.319 4.475 1.00 0.00 N ATOM 683 CA MET A 131 4.020 5.465 3.058 1.00 0.00 C ATOM 684 C MET A 131 5.191 5.959 2.164 1.00 0.00 C ATOM 685 O MET A 131 5.226 5.486 1.035 1.00 0.00 O ATOM 686 CB MET A 131 2.768 6.350 2.878 1.00 0.00 C ATOM 687 CG MET A 131 2.133 6.205 1.490 1.00 0.00 C ATOM 688 SD MET A 131 0.787 7.376 1.308 1.00 0.00 S ATOM 689 CE MET A 131 0.321 6.922 -0.360 1.00 0.00 C ATOM 0 H MET A 131 4.039 5.978 5.129 1.00 0.00 H new ATOM 0 HA MET A 131 3.721 4.468 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 131 2.032 6.089 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.039 7.393 3.041 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.883 6.377 0.718 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.763 5.189 1.354 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.308 7.703 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.217 6.804 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 131 -0.231 5.982 -0.341 1.00 0.00 H new ATOM 699 N LYS A 132 6.129 6.846 2.585 1.00 0.00 N ATOM 700 CA LYS A 132 7.295 7.207 1.720 1.00 0.00 C ATOM 701 C LYS A 132 8.218 5.967 1.434 1.00 0.00 C ATOM 702 O LYS A 132 8.725 5.850 0.318 1.00 0.00 O ATOM 703 CB LYS A 132 7.986 8.476 2.264 1.00 0.00 C ATOM 704 CG LYS A 132 9.315 8.385 3.055 1.00 0.00 C ATOM 705 CD LYS A 132 10.089 9.721 3.175 1.00 0.00 C ATOM 706 CE LYS A 132 9.324 10.962 3.679 1.00 0.00 C ATOM 707 NZ LYS A 132 8.808 10.761 5.053 1.00 0.00 N ATOM 0 H LYS A 132 6.109 7.316 3.490 1.00 0.00 H new ATOM 0 HA LYS A 132 6.955 7.484 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.166 9.131 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 132 7.265 8.981 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.101 8.013 4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 132 9.959 7.649 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.935 9.557 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 132 10.499 9.958 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.984 11.830 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.494 11.178 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.450 11.664 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.037 10.063 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 9.575 10.415 5.665 1.00 0.00 H new ATOM 721 N GLU A 133 8.419 5.043 2.409 1.00 0.00 N ATOM 722 CA GLU A 133 9.145 3.759 2.175 1.00 0.00 C ATOM 723 C GLU A 133 8.365 2.886 1.110 1.00 0.00 C ATOM 724 O GLU A 133 9.003 2.339 0.203 1.00 0.00 O ATOM 725 CB GLU A 133 9.346 3.044 3.538 1.00 0.00 C ATOM 726 CG GLU A 133 10.175 1.733 3.480 1.00 0.00 C ATOM 727 CD GLU A 133 10.293 1.007 4.813 1.00 0.00 C ATOM 728 OE1 GLU A 133 9.289 0.420 5.269 1.00 0.00 O ATOM 729 OE2 GLU A 133 11.400 0.993 5.390 1.00 0.00 O ATOM 0 H GLU A 133 8.089 5.160 3.367 1.00 0.00 H new ATOM 0 HA GLU A 133 10.134 3.937 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.836 3.735 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.367 2.817 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.720 1.061 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.176 1.966 3.116 1.00 0.00 H new ATOM 736 N ALA A 134 7.010 2.772 1.222 1.00 0.00 N ATOM 737 CA ALA A 134 6.173 2.033 0.230 1.00 0.00 C ATOM 738 C ALA A 134 5.968 2.739 -1.172 1.00 0.00 C ATOM 739 O ALA A 134 5.770 2.050 -2.176 1.00 0.00 O ATOM 740 CB ALA A 134 4.827 1.656 0.870 1.00 0.00 C ATOM 0 H ALA A 134 6.475 3.182 1.988 1.00 0.00 H new ATOM 0 HA ALA A 134 6.744 1.139 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 134 4.218 1.117 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 134 5.002 1.022 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.305 2.561 1.180 1.00 0.00 H new ATOM 746 N ASP A 135 6.038 4.088 -1.257 1.00 0.00 N ATOM 747 CA ASP A 135 5.968 4.849 -2.531 1.00 0.00 C ATOM 748 C ASP A 135 7.393 4.772 -3.162 1.00 0.00 C ATOM 749 O ASP A 135 8.353 5.371 -2.660 1.00 0.00 O ATOM 750 CB ASP A 135 5.559 6.333 -2.286 1.00 0.00 C ATOM 751 CG ASP A 135 5.812 7.317 -3.459 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.897 6.966 -4.635 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.846 8.558 -3.138 1.00 0.00 O ATOM 0 H ASP A 135 6.146 4.686 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 135 5.212 4.426 -3.192 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.498 6.359 -2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.098 6.697 -1.411 1.00 0.00 H new ATOM 758 N GLU A 136 7.516 4.060 -4.282 1.00 0.00 N ATOM 759 CA GLU A 136 8.825 3.957 -4.992 1.00 0.00 C ATOM 760 C GLU A 136 9.288 5.259 -5.755 1.00 0.00 C ATOM 761 O GLU A 136 10.481 5.387 -6.048 1.00 0.00 O ATOM 762 CB GLU A 136 8.833 2.662 -5.843 1.00 0.00 C ATOM 763 CG GLU A 136 8.667 1.374 -4.983 1.00 0.00 C ATOM 764 CD GLU A 136 9.424 0.122 -5.410 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.669 0.173 -5.519 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.782 -0.936 -5.568 1.00 0.00 O ATOM 0 H GLU A 136 6.751 3.549 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 136 9.608 3.878 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.028 2.710 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.769 2.604 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.967 1.613 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.606 1.128 -4.953 1.00 0.00 H new ATOM 773 N ASP A 137 8.375 6.204 -6.099 1.00 0.00 N ATOM 774 CA ASP A 137 8.731 7.434 -6.880 1.00 0.00 C ATOM 775 C ASP A 137 9.132 8.718 -6.074 1.00 0.00 C ATOM 776 O ASP A 137 9.805 9.594 -6.636 1.00 0.00 O ATOM 777 CB ASP A 137 7.549 7.660 -7.872 1.00 0.00 C ATOM 778 CG ASP A 137 7.538 8.961 -8.686 1.00 0.00 C ATOM 779 OD1 ASP A 137 7.179 10.012 -8.110 1.00 0.00 O ATOM 780 OD2 ASP A 137 7.881 8.936 -9.887 1.00 0.00 O ATOM 0 H ASP A 137 7.387 6.145 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 137 9.677 7.250 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.536 6.826 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.620 7.613 -7.303 1.00 0.00 H new ATOM 785 N GLY A 138 8.827 8.819 -4.770 1.00 0.00 N ATOM 786 CA GLY A 138 9.076 10.038 -3.965 1.00 0.00 C ATOM 787 C GLY A 138 8.000 11.166 -4.083 1.00 0.00 C ATOM 788 O GLY A 138 8.183 12.214 -3.460 1.00 0.00 O ATOM 0 H GLY A 138 8.400 8.060 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.157 9.748 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.041 10.452 -4.257 1.00 0.00 H new ATOM 792 N ASN A 139 6.872 10.938 -4.801 1.00 0.00 N ATOM 793 CA ASN A 139 5.751 11.911 -4.926 1.00 0.00 C ATOM 794 C ASN A 139 4.664 11.822 -3.799 1.00 0.00 C ATOM 795 O ASN A 139 4.091 12.864 -3.469 1.00 0.00 O ATOM 796 CB ASN A 139 5.089 11.820 -6.337 1.00 0.00 C ATOM 797 CG ASN A 139 4.384 10.497 -6.777 1.00 0.00 C ATOM 798 OD1 ASN A 139 4.442 9.480 -6.086 1.00 0.00 O ATOM 799 ND2 ASN A 139 3.718 10.420 -7.928 1.00 0.00 N ATOM 0 H ASN A 139 6.711 10.071 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 139 6.215 12.889 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.351 12.620 -6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.862 12.038 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 139 3.281 9.542 -8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.645 11.239 -8.531 1.00 0.00 H new ATOM 806 N GLY A 140 4.368 10.630 -3.230 1.00 0.00 N ATOM 807 CA GLY A 140 3.320 10.465 -2.183 1.00 0.00 C ATOM 808 C GLY A 140 2.005 9.744 -2.608 1.00 0.00 C ATOM 809 O GLY A 140 0.983 9.902 -1.935 1.00 0.00 O ATOM 0 H GLY A 140 4.841 9.761 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.756 9.912 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.058 11.454 -1.807 1.00 0.00 H new ATOM 813 N VAL A 141 2.039 8.970 -3.707 1.00 0.00 N ATOM 814 CA VAL A 141 0.896 8.187 -4.244 1.00 0.00 C ATOM 815 C VAL A 141 1.486 6.845 -4.715 1.00 0.00 C ATOM 816 O VAL A 141 2.643 6.708 -5.141 1.00 0.00 O ATOM 817 CB VAL A 141 0.050 8.808 -5.429 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.442 8.546 -5.224 1.00 0.00 C ATOM 819 CG2 VAL A 141 0.237 10.309 -5.670 1.00 0.00 C ATOM 0 H VAL A 141 2.885 8.864 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 141 0.172 8.131 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 141 0.439 8.301 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.005 8.981 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.621 7.471 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -1.765 8.998 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -0.390 10.625 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.047 10.860 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 141 1.282 10.512 -5.904 1.00 0.00 H new ATOM 829 N ILE A 142 0.591 5.859 -4.670 1.00 0.00 N ATOM 830 CA ILE A 142 0.929 4.481 -5.032 1.00 0.00 C ATOM 831 C ILE A 142 -0.173 3.829 -5.882 1.00 0.00 C ATOM 832 O ILE A 142 -1.331 3.844 -5.490 1.00 0.00 O ATOM 833 CB ILE A 142 1.086 3.548 -3.779 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.563 4.166 -2.433 1.00 0.00 C ATOM 835 CG2 ILE A 142 2.050 2.417 -4.157 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.727 3.143 -1.315 1.00 0.00 C ATOM 0 H ILE A 142 -0.380 5.989 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 142 1.869 4.567 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 142 0.064 3.238 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.515 4.673 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.847 4.925 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 142 2.180 1.750 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.641 1.856 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 142 3.015 2.840 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.062 3.646 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.772 2.653 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.465 2.397 -1.610 1.00 0.00 H new ATOM 848 N ASP A 143 0.220 3.208 -6.988 1.00 0.00 N ATOM 849 CA ASP A 143 -0.664 2.372 -7.819 1.00 0.00 C ATOM 850 C ASP A 143 -0.409 0.897 -7.348 1.00 0.00 C ATOM 851 O ASP A 143 0.582 0.575 -6.666 1.00 0.00 O ATOM 852 CB ASP A 143 -0.422 2.657 -9.320 1.00 0.00 C ATOM 853 CG ASP A 143 0.949 2.399 -9.957 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.815 1.734 -9.343 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.147 2.855 -11.103 1.00 0.00 O ATOM 0 H ASP A 143 1.174 3.267 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.725 2.589 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.151 2.070 -9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.661 3.707 -9.489 1.00 0.00 H new ATOM 860 N ILE A 144 -1.308 -0.038 -7.694 1.00 0.00 N ATOM 861 CA ILE A 144 -1.144 -1.466 -7.278 1.00 0.00 C ATOM 862 C ILE A 144 0.235 -2.074 -7.760 1.00 0.00 C ATOM 863 O ILE A 144 0.845 -2.697 -6.889 1.00 0.00 O ATOM 864 CB ILE A 144 -2.306 -2.427 -7.779 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.767 -1.916 -7.617 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.220 -3.899 -7.259 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.690 -2.253 -8.791 1.00 0.00 C ATOM 0 H ILE A 144 -2.143 0.149 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.181 -1.424 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.089 -2.415 -8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.188 -2.341 -6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.748 -0.834 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.056 -4.475 -7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.282 -4.347 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.261 -3.903 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.687 -1.860 -8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.297 -1.805 -9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.744 -3.335 -8.912 1.00 0.00 H new ATOM 879 N PRO A 145 0.775 -1.937 -9.024 1.00 0.00 N ATOM 880 CA PRO A 145 2.092 -2.491 -9.435 1.00 0.00 C ATOM 881 C PRO A 145 3.305 -2.223 -8.502 1.00 0.00 C ATOM 882 O PRO A 145 4.105 -3.144 -8.340 1.00 0.00 O ATOM 883 CB PRO A 145 2.290 -1.981 -10.873 1.00 0.00 C ATOM 884 CG PRO A 145 0.864 -1.790 -11.389 1.00 0.00 C ATOM 885 CD PRO A 145 0.139 -1.245 -10.162 1.00 0.00 C ATOM 0 HA PRO A 145 2.063 -3.578 -9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.852 -1.047 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.843 -2.698 -11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.825 -1.093 -12.226 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.428 -2.728 -11.735 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.250 -0.164 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.930 -1.453 -10.207 1.00 0.00 H new ATOM 893 N GLU A 146 3.445 -1.029 -7.871 1.00 0.00 N ATOM 894 CA GLU A 146 4.571 -0.761 -6.926 1.00 0.00 C ATOM 895 C GLU A 146 4.450 -1.622 -5.626 1.00 0.00 C ATOM 896 O GLU A 146 5.413 -2.322 -5.311 1.00 0.00 O ATOM 897 CB GLU A 146 4.703 0.763 -6.640 1.00 0.00 C ATOM 898 CG GLU A 146 5.029 1.695 -7.840 1.00 0.00 C ATOM 899 CD GLU A 146 6.312 1.502 -8.643 1.00 0.00 C ATOM 900 OE1 GLU A 146 6.572 0.386 -9.141 1.00 0.00 O ATOM 901 OE2 GLU A 146 7.030 2.503 -8.849 1.00 0.00 O ATOM 0 H GLU A 146 2.805 -0.244 -7.994 1.00 0.00 H new ATOM 0 HA GLU A 146 5.501 -1.072 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.768 1.103 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.481 0.898 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.197 1.621 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.037 2.717 -7.461 1.00 0.00 H new ATOM 908 N PHE A 147 3.299 -1.625 -4.903 1.00 0.00 N ATOM 909 CA PHE A 147 3.079 -2.477 -3.700 1.00 0.00 C ATOM 910 C PHE A 147 3.244 -4.007 -4.007 1.00 0.00 C ATOM 911 O PHE A 147 3.925 -4.721 -3.253 1.00 0.00 O ATOM 912 CB PHE A 147 1.690 -2.092 -3.097 1.00 0.00 C ATOM 913 CG PHE A 147 1.001 -3.125 -2.181 1.00 0.00 C ATOM 914 CD1 PHE A 147 0.150 -4.073 -2.764 1.00 0.00 C ATOM 915 CD2 PHE A 147 1.199 -3.137 -0.799 1.00 0.00 C ATOM 916 CE1 PHE A 147 -0.477 -5.035 -1.973 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.564 -4.111 -0.019 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.273 -5.047 -0.607 1.00 0.00 C ATOM 0 H PHE A 147 2.498 -1.038 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 147 3.850 -2.287 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.813 -1.169 -2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.014 -1.871 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -0.021 -4.059 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 147 1.838 -2.400 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -1.123 -5.771 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 147 0.727 -4.133 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.767 -5.787 0.005 1.00 0.00 H new ATOM 928 N MET A 148 2.602 -4.506 -5.094 1.00 0.00 N ATOM 929 CA MET A 148 2.712 -5.933 -5.459 1.00 0.00 C ATOM 930 C MET A 148 4.147 -6.362 -5.849 1.00 0.00 C ATOM 931 O MET A 148 4.532 -7.465 -5.445 1.00 0.00 O ATOM 932 CB MET A 148 1.649 -6.384 -6.467 1.00 0.00 C ATOM 933 CG MET A 148 1.442 -5.834 -7.880 1.00 0.00 C ATOM 934 SD MET A 148 0.866 -7.163 -8.986 1.00 0.00 S ATOM 935 CE MET A 148 -0.432 -8.037 -8.052 1.00 0.00 C ATOM 0 H MET A 148 2.016 -3.952 -5.718 1.00 0.00 H new ATOM 0 HA MET A 148 2.492 -6.479 -4.542 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.801 -7.456 -6.591 1.00 0.00 H new ATOM 0 HB3 MET A 148 0.693 -6.254 -5.960 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.713 -5.024 -7.861 1.00 0.00 H new ATOM 0 HG3 MET A 148 2.375 -5.415 -8.257 1.00 0.00 H new ATOM 0 HE1 MET A 148 -0.983 -8.695 -8.724 1.00 0.00 H new ATOM 0 HE2 MET A 148 0.026 -8.629 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 148 -1.116 -7.311 -7.613 1.00 0.00 H new ATOM 945 N ASP A 149 4.937 -5.557 -6.588 1.00 0.00 N ATOM 946 CA ASP A 149 6.366 -5.884 -6.833 1.00 0.00 C ATOM 947 C ASP A 149 7.175 -5.747 -5.477 1.00 0.00 C ATOM 948 O ASP A 149 8.058 -6.562 -5.229 1.00 0.00 O ATOM 949 CB ASP A 149 6.885 -5.034 -8.024 1.00 0.00 C ATOM 950 CG ASP A 149 7.680 -5.811 -9.085 1.00 0.00 C ATOM 951 OD1 ASP A 149 8.334 -6.830 -8.773 1.00 0.00 O ATOM 952 OD2 ASP A 149 7.581 -5.476 -10.282 1.00 0.00 O ATOM 0 H ASP A 149 4.622 -4.689 -7.021 1.00 0.00 H new ATOM 0 HA ASP A 149 6.508 -6.920 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.033 -4.558 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.516 -4.236 -7.632 1.00 0.00 H new ATOM 957 N LEU A 150 6.824 -4.796 -4.562 1.00 0.00 N ATOM 958 CA LEU A 150 7.435 -4.651 -3.202 1.00 0.00 C ATOM 959 C LEU A 150 7.363 -6.002 -2.393 1.00 0.00 C ATOM 960 O LEU A 150 8.381 -6.420 -1.835 1.00 0.00 O ATOM 961 CB LEU A 150 6.714 -3.488 -2.439 1.00 0.00 C ATOM 962 CG LEU A 150 7.532 -2.667 -1.397 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.631 -1.187 -1.825 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.916 -2.742 0.019 1.00 0.00 C ATOM 0 H LEU A 150 6.101 -4.101 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 150 8.492 -4.406 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 150 6.329 -2.791 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 150 5.852 -3.913 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 150 8.527 -3.111 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 150 8.206 -0.632 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 150 8.127 -1.121 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.630 -0.762 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 150 7.520 -2.155 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.901 -2.344 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 150 6.891 -3.780 0.350 1.00 0.00 H new ATOM 976 N ILE A 151 6.187 -6.687 -2.378 1.00 0.00 N ATOM 977 CA ILE A 151 6.006 -8.002 -1.685 1.00 0.00 C ATOM 978 C ILE A 151 6.554 -9.202 -2.555 1.00 0.00 C ATOM 979 O ILE A 151 7.463 -9.911 -2.118 1.00 0.00 O ATOM 980 CB ILE A 151 4.504 -8.206 -1.236 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.011 -7.100 -0.255 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.238 -9.610 -0.611 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.502 -7.062 0.015 1.00 0.00 C ATOM 0 H ILE A 151 5.342 -6.351 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 151 6.607 -7.989 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 151 3.931 -8.130 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.527 -7.231 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.313 -6.131 -0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.189 -9.688 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.472 -10.384 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.866 -9.741 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 151 2.277 -6.254 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 151 1.969 -6.894 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.186 -8.011 0.447 1.00 0.00 H new ATOM 995 N LYS A 152 5.965 -9.428 -3.749 1.00 0.00 N ATOM 996 CA LYS A 152 6.295 -10.535 -4.695 1.00 0.00 C ATOM 997 C LYS A 152 7.563 -10.390 -5.632 1.00 0.00 C ATOM 998 O LYS A 152 7.733 -11.273 -6.474 1.00 0.00 O ATOM 999 CB LYS A 152 5.000 -10.910 -5.490 1.00 0.00 C ATOM 1000 CG LYS A 152 3.750 -11.368 -4.671 1.00 0.00 C ATOM 1001 CD LYS A 152 2.878 -12.422 -5.405 1.00 0.00 C ATOM 1002 CE LYS A 152 1.394 -12.542 -4.988 1.00 0.00 C ATOM 1003 NZ LYS A 152 1.111 -13.230 -3.694 1.00 0.00 N ATOM 0 H LYS A 152 5.219 -8.828 -4.100 1.00 0.00 H new ATOM 0 HA LYS A 152 6.635 -11.349 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 152 4.711 -10.045 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.254 -11.708 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.082 -11.783 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.136 -10.497 -4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.910 -12.200 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.345 -13.397 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 152 0.973 -11.538 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 152 0.861 -13.072 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 0.344 -13.920 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.967 -13.723 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 0.824 -12.528 -2.983 1.00 0.00 H new