USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -170:sc= -1.05 USER MOD Single : A 98 SER OG : rot 180:sc= -0.552 USER MOD Single : A 103 MET CE :methyl 153:sc= -0.0154 (180deg=-0.496) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.31 K(o=-0.31,f=-3.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 162:sc= -10.3! (180deg=-12.1!) USER MOD Single : A 122 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2!) USER MOD Single : A 124 THR OG1 : rot -45:sc= 0.388 USER MOD Single : A 127 THR OG1 : rot 56:sc= 0.156 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 137 MET CE :methyl -160:sc= -4.31! (180deg=-4.9!) USER MOD Single : A 138 LYS NZ :NH3+ -144:sc= -0.0268 (180deg=-0.413) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 144 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.2!) USER MOD Single : A 150 TYR OH : rot 69:sc= -2.88! USER MOD Single : A 157 MET CE :methyl -158:sc= -0.0425 (180deg=-0.328) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.920 4.099 1.438 1.00 1.27 N ATOM 28 CA LYS A 92 7.678 2.670 1.787 1.00 1.47 C ATOM 29 C LYS A 92 6.217 2.476 2.190 1.00 1.40 C ATOM 30 O LYS A 92 5.463 1.788 1.530 1.00 1.56 O ATOM 31 CB LYS A 92 8.602 2.395 2.973 1.00 1.61 C ATOM 32 CG LYS A 92 9.241 1.015 2.814 1.00 1.94 C ATOM 33 CD LYS A 92 8.146 -0.053 2.771 1.00 2.31 C ATOM 34 CE LYS A 92 8.718 -1.349 2.194 1.00 2.59 C ATOM 35 NZ LYS A 92 7.652 -2.367 2.408 1.00 3.20 N ATOM 0 HA LYS A 92 7.874 1.996 0.953 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.375 3.161 3.030 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.038 2.441 3.905 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.834 0.980 1.900 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.922 0.820 3.643 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.756 -0.230 3.774 1.00 2.31 H new ATOM 0 HD3 LYS A 92 7.311 0.292 2.161 1.00 2.31 H new ATOM 0 HE2 LYS A 92 8.953 -1.240 1.135 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.642 -1.632 2.698 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 7.970 -3.285 2.038 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 7.454 -2.454 3.425 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 6.787 -2.074 1.911 1.00 3.20 H new ATOM 49 N SER A 93 5.813 3.084 3.269 1.00 1.38 N ATOM 50 CA SER A 93 4.401 2.950 3.723 1.00 1.40 C ATOM 51 C SER A 93 3.890 4.305 4.212 1.00 1.20 C ATOM 52 O SER A 93 4.629 5.266 4.286 1.00 1.08 O ATOM 53 CB SER A 93 4.449 1.946 4.872 1.00 1.60 C ATOM 54 OG SER A 93 5.076 2.550 5.996 1.00 2.20 O ATOM 0 H SER A 93 6.403 3.671 3.859 1.00 1.38 H new ATOM 0 HA SER A 93 3.733 2.620 2.928 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.440 1.625 5.132 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.999 1.055 4.569 1.00 1.60 H new ATOM 0 HG SER A 93 5.252 1.869 6.678 1.00 2.20 H new ATOM 60 N GLU A 94 2.634 4.395 4.550 1.00 1.26 N ATOM 61 CA GLU A 94 2.094 5.696 5.034 1.00 1.17 C ATOM 62 C GLU A 94 2.815 6.122 6.315 1.00 1.12 C ATOM 63 O GLU A 94 2.697 7.247 6.759 1.00 1.09 O ATOM 64 CB GLU A 94 0.612 5.439 5.302 1.00 1.33 C ATOM 65 CG GLU A 94 -0.202 5.871 4.080 1.00 1.28 C ATOM 66 CD GLU A 94 -1.530 6.477 4.538 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.716 6.609 5.736 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.337 6.799 3.682 1.00 2.09 O ATOM 0 H GLU A 94 1.961 3.629 4.513 1.00 1.26 H new ATOM 0 HA GLU A 94 2.237 6.499 4.311 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.446 4.382 5.510 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.288 5.992 6.184 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.360 6.599 3.495 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.386 5.015 3.431 1.00 1.28 H new ATOM 75 N GLU A 95 3.568 5.236 6.909 1.00 1.19 N ATOM 76 CA GLU A 95 4.302 5.598 8.156 1.00 1.23 C ATOM 77 C GLU A 95 5.237 6.778 7.882 1.00 1.03 C ATOM 78 O GLU A 95 5.013 7.882 8.338 1.00 1.01 O ATOM 79 CB GLU A 95 5.106 4.350 8.523 1.00 1.45 C ATOM 80 CG GLU A 95 4.174 3.301 9.134 1.00 1.90 C ATOM 81 CD GLU A 95 4.712 2.876 10.501 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.724 3.706 11.395 1.00 2.49 O ATOM 83 OE2 GLU A 95 5.102 1.727 10.631 1.00 2.66 O ATOM 0 H GLU A 95 3.707 4.279 6.586 1.00 1.19 H new ATOM 0 HA GLU A 95 3.632 5.897 8.962 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.594 3.945 7.636 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.894 4.608 9.231 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.168 3.709 9.238 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.101 2.436 8.475 1.00 1.90 H new ATOM 90 N GLU A 96 6.282 6.555 7.132 1.00 1.02 N ATOM 91 CA GLU A 96 7.227 7.665 6.820 1.00 0.94 C ATOM 92 C GLU A 96 6.581 8.628 5.822 1.00 0.79 C ATOM 93 O GLU A 96 6.788 9.824 5.869 1.00 0.82 O ATOM 94 CB GLU A 96 8.447 6.983 6.198 1.00 1.15 C ATOM 95 CG GLU A 96 9.695 7.329 7.012 1.00 1.62 C ATOM 96 CD GLU A 96 10.329 8.607 6.458 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.619 9.592 6.339 1.00 2.78 O ATOM 98 OE2 GLU A 96 11.512 8.578 6.163 1.00 2.18 O ATOM 0 H GLU A 96 6.522 5.652 6.722 1.00 1.02 H new ATOM 0 HA GLU A 96 7.495 8.247 7.702 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.302 5.903 6.177 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.572 7.308 5.165 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.431 7.466 8.061 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.410 6.507 6.968 1.00 1.62 H new ATOM 105 N LEU A 97 5.794 8.109 4.920 1.00 0.77 N ATOM 106 CA LEU A 97 5.123 8.982 3.916 1.00 0.71 C ATOM 107 C LEU A 97 4.584 10.248 4.589 1.00 0.67 C ATOM 108 O LEU A 97 4.724 11.342 4.080 1.00 0.75 O ATOM 109 CB LEU A 97 3.973 8.130 3.373 1.00 0.80 C ATOM 110 CG LEU A 97 4.257 7.726 1.924 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.998 8.919 1.002 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.717 7.278 1.789 1.00 1.22 C ATOM 0 H LEU A 97 5.586 7.114 4.835 1.00 0.77 H new ATOM 0 HA LEU A 97 5.801 9.310 3.128 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.847 7.240 3.989 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.039 8.689 3.427 1.00 0.80 H new ATOM 0 HG LEU A 97 3.602 6.902 1.643 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.200 8.632 -0.030 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.958 9.231 1.095 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.651 9.745 1.283 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.916 6.991 0.756 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.377 8.098 2.071 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.898 6.425 2.444 1.00 1.22 H new ATOM 124 N SER A 98 3.965 10.106 5.729 1.00 0.69 N ATOM 125 CA SER A 98 3.411 11.298 6.436 1.00 0.76 C ATOM 126 C SER A 98 4.541 12.237 6.872 1.00 0.72 C ATOM 127 O SER A 98 4.671 13.340 6.379 1.00 0.77 O ATOM 128 CB SER A 98 2.684 10.728 7.655 1.00 0.92 C ATOM 129 OG SER A 98 3.069 11.454 8.816 1.00 1.57 O ATOM 0 H SER A 98 3.818 9.215 6.203 1.00 0.69 H new ATOM 0 HA SER A 98 2.748 11.883 5.799 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.605 10.794 7.513 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.926 9.672 7.776 1.00 0.92 H new ATOM 0 HG SER A 98 2.603 11.091 9.598 1.00 1.57 H new ATOM 135 N ASP A 99 5.354 11.810 7.797 1.00 0.80 N ATOM 136 CA ASP A 99 6.470 12.680 8.272 1.00 0.86 C ATOM 137 C ASP A 99 7.303 13.188 7.089 1.00 0.81 C ATOM 138 O ASP A 99 8.041 14.145 7.206 1.00 0.91 O ATOM 139 CB ASP A 99 7.314 11.781 9.177 1.00 1.02 C ATOM 140 CG ASP A 99 7.410 12.406 10.570 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.410 12.928 11.034 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.482 12.352 11.149 1.00 1.83 O ATOM 0 H ASP A 99 5.295 10.896 8.246 1.00 0.80 H new ATOM 0 HA ASP A 99 6.105 13.563 8.796 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.867 10.789 9.242 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.311 11.654 8.754 1.00 1.02 H new ATOM 147 N LEU A 100 7.194 12.554 5.953 1.00 0.75 N ATOM 148 CA LEU A 100 7.986 13.003 4.770 1.00 0.76 C ATOM 149 C LEU A 100 7.433 14.322 4.219 1.00 0.68 C ATOM 150 O LEU A 100 8.175 15.190 3.804 1.00 0.79 O ATOM 151 CB LEU A 100 7.823 11.885 3.739 1.00 0.86 C ATOM 152 CG LEU A 100 9.036 11.868 2.808 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.261 11.368 3.574 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.758 10.935 1.627 1.00 1.41 C ATOM 0 H LEU A 100 6.592 11.746 5.792 1.00 0.75 H new ATOM 0 HA LEU A 100 9.031 13.182 5.022 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.724 10.923 4.242 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.911 12.038 3.162 1.00 0.86 H new ATOM 0 HG LEU A 100 9.225 12.876 2.440 1.00 0.79 H new ATOM 0 HD11 LEU A 100 11.125 11.356 2.910 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.459 12.031 4.416 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.073 10.360 3.943 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.622 10.922 0.962 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.569 9.927 1.996 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.885 11.291 1.080 1.00 1.41 H new ATOM 166 N PHE A 101 6.137 14.476 4.204 1.00 0.60 N ATOM 167 CA PHE A 101 5.541 15.737 3.671 1.00 0.59 C ATOM 168 C PHE A 101 6.037 16.947 4.469 1.00 0.60 C ATOM 169 O PHE A 101 5.950 18.073 4.022 1.00 0.72 O ATOM 170 CB PHE A 101 4.032 15.562 3.841 1.00 0.61 C ATOM 171 CG PHE A 101 3.313 16.729 3.205 1.00 0.58 C ATOM 172 CD1 PHE A 101 3.331 17.984 3.824 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.628 16.554 1.997 1.00 0.86 C ATOM 174 CE1 PHE A 101 2.664 19.065 3.235 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.961 17.634 1.407 1.00 0.90 C ATOM 176 CZ PHE A 101 1.979 18.890 2.026 1.00 0.69 C ATOM 0 H PHE A 101 5.465 13.785 4.537 1.00 0.60 H new ATOM 0 HA PHE A 101 5.819 15.915 2.632 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.710 14.628 3.380 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.780 15.499 4.900 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.859 18.119 4.756 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.614 15.585 1.520 1.00 0.86 H new ATOM 0 HE1 PHE A 101 2.678 20.033 3.713 1.00 0.73 H new ATOM 0 HE2 PHE A 101 1.433 17.499 0.475 1.00 0.90 H new ATOM 0 HZ PHE A 101 1.465 19.724 1.571 1.00 0.69 H new ATOM 186 N ARG A 102 6.556 16.726 5.645 1.00 0.67 N ATOM 187 CA ARG A 102 7.054 17.870 6.464 1.00 0.76 C ATOM 188 C ARG A 102 8.270 18.514 5.793 1.00 0.68 C ATOM 189 O ARG A 102 8.356 19.720 5.668 1.00 0.78 O ATOM 190 CB ARG A 102 7.448 17.255 7.806 1.00 0.99 C ATOM 191 CG ARG A 102 6.506 17.765 8.898 1.00 1.30 C ATOM 192 CD ARG A 102 6.113 16.605 9.815 1.00 1.45 C ATOM 193 NE ARG A 102 5.901 17.224 11.153 1.00 2.12 N ATOM 194 CZ ARG A 102 4.818 17.914 11.392 1.00 2.71 C ATOM 195 NH1 ARG A 102 3.917 18.067 10.458 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.636 18.451 12.567 1.00 3.37 N ATOM 0 H ARG A 102 6.657 15.806 6.074 1.00 0.67 H new ATOM 0 HA ARG A 102 6.303 18.652 6.578 1.00 0.76 H new ATOM 0 HB2 ARG A 102 7.399 16.168 7.748 1.00 0.99 H new ATOM 0 HB3 ARG A 102 8.478 17.516 8.049 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.993 18.550 9.476 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.616 18.205 8.449 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.208 16.112 9.461 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.896 15.848 9.850 1.00 1.45 H new ATOM 0 HE ARG A 102 6.603 17.109 11.884 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.058 17.647 9.539 1.00 3.07 H new ATOM 0 HH12 ARG A 102 3.072 18.606 10.648 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.339 18.332 13.297 1.00 3.37 H new ATOM 0 HH22 ARG A 102 3.791 18.990 12.756 1.00 3.37 H new ATOM 210 N MET A 103 9.212 17.720 5.363 1.00 0.71 N ATOM 211 CA MET A 103 10.424 18.285 4.703 1.00 0.75 C ATOM 212 C MET A 103 10.167 18.494 3.208 1.00 0.68 C ATOM 213 O MET A 103 10.864 19.237 2.547 1.00 0.83 O ATOM 214 CB MET A 103 11.515 17.237 4.918 1.00 0.93 C ATOM 215 CG MET A 103 11.132 15.944 4.195 1.00 1.27 C ATOM 216 SD MET A 103 12.609 14.925 3.959 1.00 1.82 S ATOM 217 CE MET A 103 12.966 15.430 2.258 1.00 2.43 C ATOM 0 H MET A 103 9.195 16.703 5.440 1.00 0.71 H new ATOM 0 HA MET A 103 10.703 19.255 5.114 1.00 0.75 H new ATOM 0 HB2 MET A 103 12.469 17.607 4.542 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.645 17.046 5.983 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.389 15.397 4.775 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.678 16.174 3.231 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.034 15.328 2.065 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.410 14.797 1.566 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.670 16.469 2.117 1.00 2.43 H new ATOM 227 N PHE A 104 9.172 17.842 2.671 1.00 0.68 N ATOM 228 CA PHE A 104 8.873 18.002 1.219 1.00 0.79 C ATOM 229 C PHE A 104 8.380 19.423 0.932 1.00 0.71 C ATOM 230 O PHE A 104 8.551 19.942 -0.153 1.00 0.88 O ATOM 231 CB PHE A 104 7.768 16.987 0.929 1.00 0.94 C ATOM 232 CG PHE A 104 8.350 15.796 0.206 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.694 15.448 0.394 1.00 1.26 C ATOM 234 CD2 PHE A 104 7.545 15.037 -0.652 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.231 14.342 -0.276 1.00 1.86 C ATOM 236 CE2 PHE A 104 8.082 13.932 -1.322 1.00 2.65 C ATOM 237 CZ PHE A 104 9.425 13.585 -1.134 1.00 2.56 C ATOM 0 H PHE A 104 8.554 17.206 3.174 1.00 0.68 H new ATOM 0 HA PHE A 104 9.753 17.839 0.597 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.301 16.667 1.860 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.988 17.447 0.323 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.316 16.033 1.056 1.00 1.26 H new ATOM 0 HD2 PHE A 104 6.509 15.305 -0.797 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.267 14.073 -0.131 1.00 1.86 H new ATOM 0 HE2 PHE A 104 7.460 13.347 -1.984 1.00 2.65 H new ATOM 0 HZ PHE A 104 9.840 12.732 -1.651 1.00 2.56 H new ATOM 247 N ASP A 105 7.766 20.054 1.894 1.00 0.61 N ATOM 248 CA ASP A 105 7.258 21.438 1.672 1.00 0.60 C ATOM 249 C ASP A 105 8.197 22.461 2.317 1.00 0.56 C ATOM 250 O ASP A 105 8.305 22.543 3.525 1.00 0.63 O ATOM 251 CB ASP A 105 5.889 21.467 2.351 1.00 0.68 C ATOM 252 CG ASP A 105 5.132 22.725 1.923 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.180 23.051 0.748 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.517 23.342 2.777 1.00 1.45 O ATOM 0 H ASP A 105 7.594 19.672 2.824 1.00 0.61 H new ATOM 0 HA ASP A 105 7.197 21.690 0.613 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.319 20.578 2.082 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.009 21.453 3.434 1.00 0.68 H new ATOM 259 N LYS A 106 8.871 23.246 1.523 1.00 0.59 N ATOM 260 CA LYS A 106 9.796 24.265 2.095 1.00 0.66 C ATOM 261 C LYS A 106 8.991 25.421 2.693 1.00 0.55 C ATOM 262 O LYS A 106 9.446 26.114 3.581 1.00 0.63 O ATOM 263 CB LYS A 106 10.637 24.752 0.915 1.00 0.87 C ATOM 264 CG LYS A 106 11.957 25.326 1.434 1.00 1.21 C ATOM 265 CD LYS A 106 12.442 26.430 0.493 1.00 1.61 C ATOM 266 CE LYS A 106 13.543 27.240 1.181 1.00 1.77 C ATOM 267 NZ LYS A 106 14.187 28.022 0.089 1.00 2.14 N ATOM 0 H LYS A 106 8.822 23.226 0.504 1.00 0.59 H new ATOM 0 HA LYS A 106 10.418 23.858 2.892 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.831 23.928 0.228 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.092 25.512 0.355 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.821 25.725 2.439 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.706 24.537 1.502 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.820 25.994 -0.432 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.612 27.082 0.222 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.130 27.897 1.946 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.262 26.587 1.676 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.954 28.603 0.484 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.577 27.370 -0.621 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.480 28.639 -0.359 1.00 2.14 H new ATOM 281 N ASN A 107 7.796 25.633 2.212 1.00 0.48 N ATOM 282 CA ASN A 107 6.960 26.743 2.752 1.00 0.50 C ATOM 283 C ASN A 107 6.489 26.408 4.170 1.00 0.58 C ATOM 284 O ASN A 107 6.165 27.281 4.949 1.00 0.70 O ATOM 285 CB ASN A 107 5.766 26.841 1.801 1.00 0.54 C ATOM 286 CG ASN A 107 5.272 28.288 1.745 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.956 29.193 2.179 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.104 28.547 1.223 1.00 0.78 N ATOM 0 H ASN A 107 7.363 25.086 1.468 1.00 0.48 H new ATOM 0 HA ASN A 107 7.511 27.682 2.812 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.053 26.505 0.805 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.964 26.185 2.139 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.767 29.509 1.180 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.529 27.788 0.858 1.00 0.78 H new ATOM 295 N ALA A 108 6.449 25.148 4.509 1.00 0.65 N ATOM 296 CA ALA A 108 5.999 24.758 5.876 1.00 0.84 C ATOM 297 C ALA A 108 4.612 25.340 6.161 1.00 0.78 C ATOM 298 O ALA A 108 4.390 25.973 7.175 1.00 0.96 O ATOM 299 CB ALA A 108 7.038 25.358 6.823 1.00 1.03 C ATOM 0 H ALA A 108 6.708 24.372 3.899 1.00 0.65 H new ATOM 0 HA ALA A 108 5.920 23.677 5.992 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.776 25.114 7.852 1.00 1.03 H new ATOM 0 HB2 ALA A 108 8.021 24.948 6.592 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.059 26.441 6.701 1.00 1.03 H new ATOM 305 N ASP A 109 3.677 25.132 5.274 1.00 0.73 N ATOM 306 CA ASP A 109 2.306 25.675 5.494 1.00 0.74 C ATOM 307 C ASP A 109 1.284 24.535 5.529 1.00 0.78 C ATOM 308 O ASP A 109 0.116 24.743 5.794 1.00 0.96 O ATOM 309 CB ASP A 109 2.048 26.590 4.297 1.00 0.72 C ATOM 310 CG ASP A 109 2.022 25.759 3.013 1.00 1.15 C ATOM 311 OD1 ASP A 109 3.070 25.264 2.630 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.956 25.632 2.434 1.00 1.95 O ATOM 0 H ASP A 109 3.803 24.610 4.407 1.00 0.73 H new ATOM 0 HA ASP A 109 2.219 26.207 6.441 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.100 27.113 4.423 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.826 27.351 4.234 1.00 0.72 H new ATOM 317 N GLY A 110 1.714 23.332 5.264 1.00 0.76 N ATOM 318 CA GLY A 110 0.767 22.181 5.282 1.00 0.85 C ATOM 319 C GLY A 110 0.438 21.765 3.848 1.00 0.70 C ATOM 320 O GLY A 110 0.181 20.611 3.570 1.00 0.73 O ATOM 0 H GLY A 110 2.680 23.096 5.036 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.207 21.343 5.822 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.146 22.456 5.810 1.00 0.85 H new ATOM 324 N TYR A 111 0.445 22.696 2.933 1.00 0.68 N ATOM 325 CA TYR A 111 0.134 22.351 1.516 1.00 0.60 C ATOM 326 C TYR A 111 1.341 22.654 0.624 1.00 0.58 C ATOM 327 O TYR A 111 2.062 23.607 0.842 1.00 0.83 O ATOM 328 CB TYR A 111 -1.049 23.243 1.141 1.00 0.68 C ATOM 329 CG TYR A 111 -2.198 22.980 2.083 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.129 23.421 3.410 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.333 22.295 1.631 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.194 23.179 4.285 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.399 22.053 2.506 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.329 22.495 3.833 1.00 0.80 C ATOM 335 OH TYR A 111 -5.380 22.258 4.696 1.00 0.90 O ATOM 0 H TYR A 111 0.652 23.680 3.105 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.099 21.294 1.388 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.757 24.292 1.191 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.355 23.046 0.114 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.253 23.948 3.759 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.386 21.954 0.608 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.140 23.520 5.308 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.275 21.526 2.158 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.089 21.773 4.223 1.00 0.90 H new ATOM 345 N ILE A 112 1.567 21.849 -0.378 1.00 0.50 N ATOM 346 CA ILE A 112 2.728 22.093 -1.282 1.00 0.50 C ATOM 347 C ILE A 112 2.255 22.730 -2.591 1.00 0.49 C ATOM 348 O ILE A 112 1.238 22.358 -3.142 1.00 0.66 O ATOM 349 CB ILE A 112 3.325 20.710 -1.540 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.091 20.248 -0.298 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.283 20.780 -2.731 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.714 18.876 -0.562 1.00 0.66 C ATOM 0 H ILE A 112 0.999 21.034 -0.610 1.00 0.50 H new ATOM 0 HA ILE A 112 3.457 22.775 -0.845 1.00 0.50 H new ATOM 0 HB ILE A 112 2.524 20.004 -1.760 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.868 20.970 -0.048 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.418 20.195 0.558 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.708 19.793 -2.914 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.740 21.111 -3.616 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.084 21.486 -2.512 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.259 18.548 0.323 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.927 18.157 -0.791 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.400 18.944 -1.406 1.00 0.66 H new ATOM 364 N ASP A 113 2.985 23.688 -3.092 1.00 0.47 N ATOM 365 CA ASP A 113 2.575 24.349 -4.363 1.00 0.50 C ATOM 366 C ASP A 113 3.516 23.940 -5.499 1.00 0.50 C ATOM 367 O ASP A 113 4.359 23.078 -5.342 1.00 0.57 O ATOM 368 CB ASP A 113 2.688 25.848 -4.086 1.00 0.60 C ATOM 369 CG ASP A 113 1.477 26.570 -4.682 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.561 25.891 -5.116 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.487 27.790 -4.694 1.00 1.85 O ATOM 0 H ASP A 113 3.847 24.041 -2.677 1.00 0.47 H new ATOM 0 HA ASP A 113 1.567 24.067 -4.668 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.739 26.027 -3.012 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.608 26.240 -4.519 1.00 0.60 H new ATOM 376 N LEU A 114 3.377 24.551 -6.642 1.00 0.52 N ATOM 377 CA LEU A 114 4.259 24.200 -7.791 1.00 0.57 C ATOM 378 C LEU A 114 5.626 24.874 -7.640 1.00 0.63 C ATOM 379 O LEU A 114 6.558 24.578 -8.362 1.00 0.80 O ATOM 380 CB LEU A 114 3.530 24.742 -9.020 1.00 0.62 C ATOM 381 CG LEU A 114 2.581 23.675 -9.564 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.251 24.325 -9.952 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.207 23.021 -10.796 1.00 0.81 C ATOM 0 H LEU A 114 2.689 25.280 -6.831 1.00 0.52 H new ATOM 0 HA LEU A 114 4.442 23.128 -7.859 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.971 25.640 -8.757 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.251 25.027 -9.786 1.00 0.62 H new ATOM 0 HG LEU A 114 2.405 22.919 -8.799 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.574 23.564 -10.340 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.806 24.794 -9.075 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.425 25.081 -10.718 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.532 22.259 -11.186 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.381 23.778 -11.561 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.155 22.559 -10.521 1.00 0.81 H new ATOM 395 N ASP A 115 5.753 25.781 -6.711 1.00 0.61 N ATOM 396 CA ASP A 115 7.060 26.475 -6.520 1.00 0.71 C ATOM 397 C ASP A 115 7.880 25.788 -5.424 1.00 0.65 C ATOM 398 O ASP A 115 9.073 25.987 -5.314 1.00 0.89 O ATOM 399 CB ASP A 115 6.692 27.899 -6.100 1.00 0.80 C ATOM 400 CG ASP A 115 7.672 28.888 -6.734 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.095 28.639 -7.852 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.983 29.877 -6.092 1.00 1.76 O ATOM 0 H ASP A 115 5.010 26.072 -6.076 1.00 0.61 H new ATOM 0 HA ASP A 115 7.669 26.457 -7.424 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.673 28.130 -6.412 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.721 27.988 -5.014 1.00 0.80 H new ATOM 407 N GLU A 116 7.253 24.985 -4.609 1.00 0.51 N ATOM 408 CA GLU A 116 8.004 24.296 -3.520 1.00 0.48 C ATOM 409 C GLU A 116 8.411 22.885 -3.958 1.00 0.49 C ATOM 410 O GLU A 116 9.350 22.312 -3.442 1.00 0.63 O ATOM 411 CB GLU A 116 7.028 24.236 -2.344 1.00 0.48 C ATOM 412 CG GLU A 116 6.918 25.624 -1.704 1.00 0.57 C ATOM 413 CD GLU A 116 5.457 26.081 -1.705 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.626 25.354 -2.222 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.194 27.155 -1.187 1.00 1.36 O ATOM 0 H GLU A 116 6.255 24.776 -4.649 1.00 0.51 H new ATOM 0 HA GLU A 116 8.924 24.819 -3.260 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.048 23.902 -2.687 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.372 23.510 -1.608 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.299 25.595 -0.683 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.532 26.338 -2.253 1.00 0.57 H new ATOM 422 N LEU A 117 7.713 22.320 -4.905 1.00 0.48 N ATOM 423 CA LEU A 117 8.063 20.946 -5.372 1.00 0.52 C ATOM 424 C LEU A 117 9.440 20.947 -6.042 1.00 0.58 C ATOM 425 O LEU A 117 10.206 20.013 -5.911 1.00 0.69 O ATOM 426 CB LEU A 117 6.978 20.586 -6.388 1.00 0.55 C ATOM 427 CG LEU A 117 5.675 20.270 -5.653 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.495 20.439 -6.611 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.716 18.827 -5.146 1.00 0.53 C ATOM 0 H LEU A 117 6.916 22.749 -5.376 1.00 0.48 H new ATOM 0 HA LEU A 117 8.110 20.232 -4.550 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.825 21.413 -7.081 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.291 19.727 -6.981 1.00 0.55 H new ATOM 0 HG LEU A 117 5.558 20.951 -4.810 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.566 20.214 -6.087 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.466 21.466 -6.975 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.610 19.758 -7.454 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.788 18.599 -4.622 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.832 18.148 -5.991 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.558 18.705 -4.464 1.00 0.53 H new ATOM 441 N LYS A 118 9.755 21.986 -6.764 1.00 0.59 N ATOM 442 CA LYS A 118 11.078 22.047 -7.451 1.00 0.69 C ATOM 443 C LYS A 118 12.140 22.637 -6.520 1.00 0.64 C ATOM 444 O LYS A 118 13.324 22.528 -6.767 1.00 0.73 O ATOM 445 CB LYS A 118 10.851 22.971 -8.647 1.00 0.83 C ATOM 446 CG LYS A 118 10.577 24.390 -8.145 1.00 0.99 C ATOM 447 CD LYS A 118 10.323 25.317 -9.335 1.00 1.35 C ATOM 448 CE LYS A 118 11.559 26.185 -9.582 1.00 1.51 C ATOM 449 NZ LYS A 118 11.021 27.502 -10.024 1.00 1.99 N ATOM 0 H LYS A 118 9.154 22.797 -6.909 1.00 0.59 H new ATOM 0 HA LYS A 118 11.433 21.060 -7.748 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.726 22.965 -9.297 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.010 22.615 -9.242 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.713 24.391 -7.480 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.426 24.751 -7.565 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.095 24.730 -10.224 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.456 25.948 -9.139 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.158 26.287 -8.677 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.204 25.746 -10.343 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.809 28.153 -10.213 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.461 27.375 -10.891 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.416 27.898 -9.277 1.00 1.99 H new ATOM 463 N ILE A 119 11.730 23.270 -5.457 1.00 0.68 N ATOM 464 CA ILE A 119 12.724 23.872 -4.524 1.00 0.74 C ATOM 465 C ILE A 119 13.067 22.891 -3.399 1.00 0.75 C ATOM 466 O ILE A 119 14.161 22.899 -2.870 1.00 0.85 O ATOM 467 CB ILE A 119 12.035 25.118 -3.968 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.817 26.122 -5.104 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.915 25.753 -2.890 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.289 27.438 -4.530 1.00 1.06 C ATOM 0 H ILE A 119 10.753 23.397 -5.194 1.00 0.68 H new ATOM 0 HA ILE A 119 13.664 24.113 -5.021 1.00 0.74 H new ATOM 0 HB ILE A 119 11.075 24.840 -3.533 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.753 26.295 -5.635 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.109 25.719 -5.828 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.422 26.641 -2.495 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.075 25.038 -2.083 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.875 26.033 -3.323 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.134 28.152 -5.339 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.343 27.258 -4.019 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.013 27.843 -3.823 1.00 1.06 H new ATOM 482 N MET A 120 12.147 22.042 -3.030 1.00 0.85 N ATOM 483 CA MET A 120 12.435 21.064 -1.942 1.00 1.01 C ATOM 484 C MET A 120 13.284 19.909 -2.487 1.00 0.95 C ATOM 485 O MET A 120 13.911 19.180 -1.744 1.00 1.11 O ATOM 486 CB MET A 120 11.061 20.571 -1.472 1.00 1.17 C ATOM 487 CG MET A 120 10.557 19.451 -2.387 1.00 1.52 C ATOM 488 SD MET A 120 11.044 17.848 -1.700 1.00 1.88 S ATOM 489 CE MET A 120 9.582 16.919 -2.222 1.00 1.43 C ATOM 0 H MET A 120 11.212 21.983 -3.433 1.00 0.85 H new ATOM 0 HA MET A 120 13.000 21.506 -1.121 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.128 20.209 -0.446 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.351 21.398 -1.473 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.472 19.504 -2.482 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.971 19.571 -3.388 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.799 15.851 -2.190 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.752 17.141 -1.552 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.314 17.204 -3.239 1.00 1.43 H new ATOM 499 N LEU A 121 13.307 19.742 -3.782 1.00 0.87 N ATOM 500 CA LEU A 121 14.114 18.640 -4.381 1.00 0.95 C ATOM 501 C LEU A 121 15.537 19.126 -4.673 1.00 0.87 C ATOM 502 O LEU A 121 16.409 18.354 -5.016 1.00 0.97 O ATOM 503 CB LEU A 121 13.392 18.286 -5.682 1.00 1.09 C ATOM 504 CG LEU A 121 13.051 16.795 -5.689 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.343 15.976 -5.677 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.221 16.457 -4.449 1.00 1.80 C ATOM 0 H LEU A 121 12.801 20.322 -4.452 1.00 0.87 H new ATOM 0 HA LEU A 121 14.202 17.781 -3.715 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.482 18.878 -5.778 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.022 18.530 -6.537 1.00 1.09 H new ATOM 0 HG LEU A 121 12.479 16.557 -6.586 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.100 14.913 -5.682 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.935 16.217 -6.560 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.916 16.213 -4.780 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.977 15.395 -4.453 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.793 16.695 -3.552 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.300 17.040 -4.457 1.00 1.80 H new ATOM 518 N GLN A 122 15.774 20.403 -4.540 1.00 0.82 N ATOM 519 CA GLN A 122 17.138 20.944 -4.811 1.00 0.95 C ATOM 520 C GLN A 122 18.206 20.052 -4.170 1.00 1.04 C ATOM 521 O GLN A 122 19.344 20.030 -4.595 1.00 1.19 O ATOM 522 CB GLN A 122 17.145 22.333 -4.170 1.00 1.14 C ATOM 523 CG GLN A 122 16.639 23.366 -5.179 1.00 1.42 C ATOM 524 CD GLN A 122 16.335 24.680 -4.457 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.752 24.880 -3.333 1.00 2.44 O ATOM 526 NE2 GLN A 122 15.620 25.592 -5.059 1.00 2.28 N ATOM 0 H GLN A 122 15.082 21.096 -4.255 1.00 0.82 H new ATOM 0 HA GLN A 122 17.360 20.983 -5.877 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.514 22.338 -3.282 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.153 22.590 -3.846 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.388 23.530 -5.954 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.742 22.996 -5.675 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.270 25.425 -6.002 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.412 26.471 -4.586 1.00 2.28 H new ATOM 535 N ALA A 123 17.851 19.320 -3.150 1.00 1.09 N ATOM 536 CA ALA A 123 18.849 18.434 -2.483 1.00 1.33 C ATOM 537 C ALA A 123 19.713 17.718 -3.525 1.00 1.38 C ATOM 538 O ALA A 123 20.920 17.647 -3.401 1.00 1.62 O ATOM 539 CB ALA A 123 18.016 17.424 -1.695 1.00 1.45 C ATOM 0 H ALA A 123 16.913 19.296 -2.749 1.00 1.09 H new ATOM 0 HA ALA A 123 19.530 18.994 -1.842 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.679 16.734 -1.174 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.397 17.951 -0.969 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.377 16.866 -2.380 1.00 1.45 H new ATOM 545 N THR A 124 19.107 17.181 -4.548 1.00 1.29 N ATOM 546 CA THR A 124 19.896 16.464 -5.592 1.00 1.47 C ATOM 547 C THR A 124 20.267 17.417 -6.732 1.00 1.44 C ATOM 548 O THR A 124 20.555 16.998 -7.835 1.00 1.72 O ATOM 549 CB THR A 124 18.968 15.360 -6.098 1.00 1.56 C ATOM 550 OG1 THR A 124 19.703 14.469 -6.925 1.00 2.16 O ATOM 551 CG2 THR A 124 17.825 15.981 -6.902 1.00 1.92 C ATOM 0 H THR A 124 18.100 17.207 -4.707 1.00 1.29 H new ATOM 0 HA THR A 124 20.831 16.066 -5.199 1.00 1.47 H new ATOM 0 HB THR A 124 18.556 14.813 -5.250 1.00 1.56 H new ATOM 0 HG1 THR A 124 20.264 14.983 -7.542 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.164 15.193 -7.262 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.262 16.664 -6.266 1.00 1.92 H new ATOM 0 HG23 THR A 124 18.233 16.529 -7.751 1.00 1.92 H new ATOM 559 N GLY A 125 20.259 18.697 -6.475 1.00 1.26 N ATOM 560 CA GLY A 125 20.609 19.676 -7.544 1.00 1.32 C ATOM 561 C GLY A 125 19.349 20.054 -8.327 1.00 1.26 C ATOM 562 O GLY A 125 19.262 21.121 -8.901 1.00 1.63 O ATOM 0 H GLY A 125 20.025 19.107 -5.571 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.056 20.567 -7.103 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.352 19.246 -8.216 1.00 1.32 H new ATOM 566 N GLU A 126 18.372 19.188 -8.348 1.00 1.02 N ATOM 567 CA GLU A 126 17.111 19.488 -9.087 1.00 1.08 C ATOM 568 C GLU A 126 17.413 20.201 -10.408 1.00 0.89 C ATOM 569 O GLU A 126 17.210 21.392 -10.541 1.00 0.87 O ATOM 570 CB GLU A 126 16.316 20.402 -8.155 1.00 1.34 C ATOM 571 CG GLU A 126 14.988 20.772 -8.818 1.00 1.45 C ATOM 572 CD GLU A 126 14.255 19.497 -9.239 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.649 18.912 -10.235 1.00 2.09 O ATOM 574 OE2 GLU A 126 13.311 19.127 -8.560 1.00 2.16 O ATOM 0 H GLU A 126 18.393 18.281 -7.883 1.00 1.02 H new ATOM 0 HA GLU A 126 16.562 18.581 -9.342 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.133 19.901 -7.205 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.889 21.303 -7.935 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.372 21.347 -8.127 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.167 21.405 -9.687 1.00 1.45 H new ATOM 581 N THR A 127 17.882 19.481 -11.389 1.00 1.09 N ATOM 582 CA THR A 127 18.179 20.119 -12.703 1.00 1.21 C ATOM 583 C THR A 127 17.185 19.614 -13.748 1.00 1.29 C ATOM 584 O THR A 127 17.383 18.585 -14.363 1.00 1.60 O ATOM 585 CB THR A 127 19.600 19.671 -13.051 1.00 1.57 C ATOM 586 OG1 THR A 127 19.754 18.298 -12.725 1.00 1.91 O ATOM 587 CG2 THR A 127 20.609 20.502 -12.258 1.00 2.18 C ATOM 0 H THR A 127 18.072 18.480 -11.338 1.00 1.09 H new ATOM 0 HA THR A 127 18.097 21.206 -12.672 1.00 1.21 H new ATOM 0 HB THR A 127 19.775 19.814 -14.117 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.062 17.774 -13.181 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.620 20.181 -12.507 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.490 21.556 -12.510 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.437 20.362 -11.191 1.00 2.18 H new ATOM 595 N ILE A 128 16.111 20.325 -13.944 1.00 1.08 N ATOM 596 CA ILE A 128 15.097 19.882 -14.940 1.00 1.20 C ATOM 597 C ILE A 128 14.608 21.072 -15.768 1.00 1.18 C ATOM 598 O ILE A 128 14.914 22.211 -15.476 1.00 1.15 O ATOM 599 CB ILE A 128 13.960 19.304 -14.100 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.610 20.287 -12.980 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.402 17.972 -13.491 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.546 19.671 -12.069 1.00 2.03 C ATOM 0 H ILE A 128 15.891 21.194 -13.457 1.00 1.08 H new ATOM 0 HA ILE A 128 15.497 19.155 -15.647 1.00 1.20 H new ATOM 0 HB ILE A 128 13.086 19.141 -14.730 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.502 20.528 -12.402 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.243 21.221 -13.404 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.591 17.559 -12.891 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.656 17.274 -14.289 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.275 18.133 -12.859 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.299 20.373 -11.272 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.651 19.452 -12.651 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.930 18.748 -11.634 1.00 2.03 H new ATOM 614 N THR A 129 13.847 20.818 -16.797 1.00 1.34 N ATOM 615 CA THR A 129 13.335 21.936 -17.641 1.00 1.42 C ATOM 616 C THR A 129 12.195 22.662 -16.922 1.00 1.16 C ATOM 617 O THR A 129 11.440 22.070 -16.176 1.00 0.97 O ATOM 618 CB THR A 129 12.825 21.266 -18.918 1.00 1.64 C ATOM 619 OG1 THR A 129 13.704 20.210 -19.279 1.00 2.23 O ATOM 620 CG2 THR A 129 12.769 22.294 -20.049 1.00 2.28 C ATOM 0 H THR A 129 13.557 19.885 -17.090 1.00 1.34 H new ATOM 0 HA THR A 129 14.102 22.681 -17.851 1.00 1.42 H new ATOM 0 HB THR A 129 11.826 20.866 -18.745 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.378 19.778 -20.096 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.405 21.815 -20.958 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.095 23.104 -19.771 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.767 22.696 -20.225 1.00 2.28 H new ATOM 628 N GLU A 130 12.067 23.943 -17.138 1.00 1.31 N ATOM 629 CA GLU A 130 10.979 24.711 -16.466 1.00 1.28 C ATOM 630 C GLU A 130 9.628 24.015 -16.662 1.00 1.16 C ATOM 631 O GLU A 130 8.696 24.230 -15.913 1.00 1.21 O ATOM 632 CB GLU A 130 10.978 26.077 -17.155 1.00 1.69 C ATOM 633 CG GLU A 130 10.419 25.931 -18.572 1.00 2.05 C ATOM 634 CD GLU A 130 11.043 26.990 -19.483 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.976 27.643 -19.047 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.577 27.129 -20.602 1.00 3.03 O ATOM 0 H GLU A 130 12.669 24.492 -17.751 1.00 1.31 H new ATOM 0 HA GLU A 130 11.139 24.791 -15.391 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.375 26.784 -16.585 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.990 26.479 -17.191 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.633 24.934 -18.957 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.335 26.042 -18.559 1.00 2.05 H new ATOM 643 N ASP A 131 9.511 23.188 -17.665 1.00 1.18 N ATOM 644 CA ASP A 131 8.215 22.487 -17.905 1.00 1.19 C ATOM 645 C ASP A 131 8.169 21.166 -17.133 1.00 1.07 C ATOM 646 O ASP A 131 7.137 20.766 -16.631 1.00 1.14 O ATOM 647 CB ASP A 131 8.177 22.227 -19.412 1.00 1.44 C ATOM 648 CG ASP A 131 7.167 23.170 -20.068 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.430 24.361 -20.097 1.00 2.07 O ATOM 650 OD2 ASP A 131 6.147 22.685 -20.530 1.00 1.91 O ATOM 0 H ASP A 131 10.254 22.967 -18.328 1.00 1.18 H new ATOM 0 HA ASP A 131 7.362 23.078 -17.570 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.166 22.380 -19.843 1.00 1.44 H new ATOM 0 HB3 ASP A 131 7.902 21.190 -19.606 1.00 1.44 H new ATOM 655 N ASP A 132 9.276 20.484 -17.034 1.00 1.00 N ATOM 656 CA ASP A 132 9.290 19.189 -16.295 1.00 1.03 C ATOM 657 C ASP A 132 8.786 19.386 -14.863 1.00 0.88 C ATOM 658 O ASP A 132 8.440 18.441 -14.181 1.00 1.03 O ATOM 659 CB ASP A 132 10.755 18.750 -16.293 1.00 1.13 C ATOM 660 CG ASP A 132 10.841 17.256 -16.611 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.221 16.839 -17.576 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.524 16.555 -15.883 1.00 1.99 O ATOM 0 H ASP A 132 10.172 20.766 -17.432 1.00 1.00 H new ATOM 0 HA ASP A 132 8.641 18.445 -16.757 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.318 19.322 -17.030 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.205 18.952 -15.321 1.00 1.13 H new ATOM 667 N ILE A 133 8.744 20.606 -14.399 1.00 0.75 N ATOM 668 CA ILE A 133 8.265 20.860 -13.009 1.00 0.77 C ATOM 669 C ILE A 133 6.791 20.467 -12.867 1.00 0.70 C ATOM 670 O ILE A 133 6.367 19.975 -11.840 1.00 0.82 O ATOM 671 CB ILE A 133 8.439 22.365 -12.802 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.911 22.739 -12.992 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.998 22.739 -11.386 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.738 22.159 -11.843 1.00 1.00 C ATOM 0 H ILE A 133 9.020 21.437 -14.922 1.00 0.75 H new ATOM 0 HA ILE A 133 8.817 20.276 -12.272 1.00 0.77 H new ATOM 0 HB ILE A 133 7.830 22.904 -13.527 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.274 22.355 -13.945 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.021 23.823 -13.022 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.122 23.812 -11.238 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.950 22.472 -11.249 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.607 22.200 -10.661 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.786 22.425 -11.979 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.380 22.564 -10.896 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.638 21.074 -11.834 1.00 1.00 H new ATOM 686 N GLU A 134 6.005 20.683 -13.886 1.00 0.61 N ATOM 687 CA GLU A 134 4.559 20.323 -13.801 1.00 0.64 C ATOM 688 C GLU A 134 4.355 18.848 -14.155 1.00 0.64 C ATOM 689 O GLU A 134 3.385 18.233 -13.759 1.00 0.76 O ATOM 690 CB GLU A 134 3.865 21.220 -14.826 1.00 0.73 C ATOM 691 CG GLU A 134 3.804 22.653 -14.294 1.00 0.89 C ATOM 692 CD GLU A 134 4.268 23.622 -15.383 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.030 23.335 -16.544 1.00 1.87 O ATOM 694 OE2 GLU A 134 4.853 24.635 -15.036 1.00 1.86 O ATOM 0 H GLU A 134 6.300 21.092 -14.773 1.00 0.61 H new ATOM 0 HA GLU A 134 4.159 20.465 -12.797 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.406 21.195 -15.772 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.859 20.852 -15.025 1.00 0.73 H new ATOM 0 HG2 GLU A 134 2.787 22.895 -13.986 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.436 22.752 -13.411 1.00 0.89 H new ATOM 701 N GLU A 135 5.261 18.276 -14.899 1.00 0.59 N ATOM 702 CA GLU A 135 5.116 16.841 -15.279 1.00 0.67 C ATOM 703 C GLU A 135 4.919 15.978 -14.029 1.00 0.74 C ATOM 704 O GLU A 135 4.331 14.916 -14.083 1.00 0.91 O ATOM 705 CB GLU A 135 6.426 16.480 -15.978 1.00 0.72 C ATOM 706 CG GLU A 135 6.258 15.154 -16.722 1.00 1.16 C ATOM 707 CD GLU A 135 7.528 14.849 -17.516 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.617 15.294 -18.649 1.00 2.29 O ATOM 709 OE2 GLU A 135 8.391 14.174 -16.979 1.00 2.03 O ATOM 0 H GLU A 135 6.095 18.739 -15.260 1.00 0.59 H new ATOM 0 HA GLU A 135 4.252 16.671 -15.921 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.707 17.268 -16.676 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.231 16.400 -15.247 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.058 14.350 -16.013 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.401 15.208 -17.393 1.00 1.16 H new ATOM 716 N LEU A 136 5.407 16.426 -12.905 1.00 0.73 N ATOM 717 CA LEU A 136 5.248 15.630 -11.654 1.00 0.87 C ATOM 718 C LEU A 136 3.927 15.985 -10.963 1.00 0.81 C ATOM 719 O LEU A 136 3.223 15.127 -10.470 1.00 1.00 O ATOM 720 CB LEU A 136 6.435 16.031 -10.776 1.00 0.99 C ATOM 721 CG LEU A 136 7.739 15.607 -11.453 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.801 16.686 -11.234 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.222 14.287 -10.847 1.00 1.75 C ATOM 0 H LEU A 136 5.909 17.308 -12.798 1.00 0.73 H new ATOM 0 HA LEU A 136 5.227 14.558 -11.848 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.432 17.109 -10.612 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.352 15.560 -9.797 1.00 0.99 H new ATOM 0 HG LEU A 136 7.568 15.476 -12.522 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.731 16.385 -11.716 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.458 17.627 -11.664 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.972 16.816 -10.165 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.151 13.984 -11.329 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.393 14.418 -9.779 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.466 13.517 -11.001 1.00 1.75 H new ATOM 735 N MET A 137 3.588 17.245 -10.923 1.00 0.67 N ATOM 736 CA MET A 137 2.316 17.658 -10.262 1.00 0.71 C ATOM 737 C MET A 137 1.178 16.705 -10.639 1.00 0.68 C ATOM 738 O MET A 137 0.497 16.172 -9.786 1.00 0.70 O ATOM 739 CB MET A 137 2.031 19.063 -10.792 1.00 0.82 C ATOM 740 CG MET A 137 0.670 19.535 -10.278 1.00 0.99 C ATOM 741 SD MET A 137 0.771 21.282 -9.815 1.00 0.94 S ATOM 742 CE MET A 137 0.660 21.051 -8.023 1.00 0.53 C ATOM 0 H MET A 137 4.137 18.007 -11.320 1.00 0.67 H new ATOM 0 HA MET A 137 2.397 17.637 -9.175 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.812 19.751 -10.469 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.039 19.061 -11.882 1.00 0.82 H new ATOM 0 HG2 MET A 137 -0.089 19.395 -11.047 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.367 18.937 -9.418 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.349 21.985 -7.554 1.00 0.53 H new ATOM 0 HE2 MET A 137 -0.070 20.273 -7.801 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.634 20.756 -7.633 1.00 0.53 H new ATOM 752 N LYS A 138 0.963 16.490 -11.910 1.00 0.76 N ATOM 753 CA LYS A 138 -0.136 15.575 -12.340 1.00 0.82 C ATOM 754 C LYS A 138 -0.192 14.343 -11.434 1.00 0.72 C ATOM 755 O LYS A 138 -1.238 13.757 -11.233 1.00 0.84 O ATOM 756 CB LYS A 138 0.216 15.169 -13.770 1.00 0.99 C ATOM 757 CG LYS A 138 1.645 14.622 -13.812 1.00 1.57 C ATOM 758 CD LYS A 138 1.618 13.105 -13.621 1.00 2.09 C ATOM 759 CE LYS A 138 2.490 12.439 -14.688 1.00 2.74 C ATOM 760 NZ LYS A 138 1.733 12.600 -15.960 1.00 3.43 N ATOM 0 H LYS A 138 1.501 16.908 -12.669 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.112 16.056 -12.281 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.484 14.413 -14.127 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.125 16.028 -14.435 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.113 14.871 -14.765 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.246 15.087 -13.031 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.981 12.847 -12.626 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.594 12.737 -13.692 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.470 12.913 -14.749 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.659 11.387 -14.460 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.866 11.755 -16.552 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.722 12.720 -15.749 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.082 13.437 -16.468 1.00 3.43 H new ATOM 774 N ASP A 139 0.922 13.944 -10.886 1.00 0.75 N ATOM 775 CA ASP A 139 0.924 12.749 -9.994 1.00 0.78 C ATOM 776 C ASP A 139 0.532 13.152 -8.570 1.00 0.70 C ATOM 777 O ASP A 139 -0.203 12.455 -7.898 1.00 0.81 O ATOM 778 CB ASP A 139 2.360 12.226 -10.031 1.00 0.97 C ATOM 779 CG ASP A 139 2.484 11.151 -11.112 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.560 10.364 -11.246 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.499 11.132 -11.789 1.00 1.69 O ATOM 0 H ASP A 139 1.829 14.392 -11.016 1.00 0.75 H new ATOM 0 HA ASP A 139 0.209 11.992 -10.317 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.051 13.044 -10.236 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.633 11.813 -9.060 1.00 0.97 H new ATOM 786 N GLY A 140 1.015 14.271 -8.105 1.00 0.64 N ATOM 787 CA GLY A 140 0.667 14.716 -6.725 1.00 0.62 C ATOM 788 C GLY A 140 -0.563 15.625 -6.773 1.00 0.57 C ATOM 789 O GLY A 140 -1.056 16.073 -5.756 1.00 0.65 O ATOM 0 H GLY A 140 1.635 14.896 -8.620 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.468 13.851 -6.093 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.508 15.249 -6.281 1.00 0.62 H new ATOM 793 N ASP A 141 -1.064 15.903 -7.946 1.00 0.56 N ATOM 794 CA ASP A 141 -2.262 16.783 -8.056 1.00 0.56 C ATOM 795 C ASP A 141 -2.992 16.517 -9.375 1.00 0.58 C ATOM 796 O ASP A 141 -2.729 17.148 -10.379 1.00 0.64 O ATOM 797 CB ASP A 141 -1.710 18.209 -8.028 1.00 0.60 C ATOM 798 CG ASP A 141 -2.789 19.163 -7.514 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.575 19.627 -8.324 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.812 19.413 -6.321 1.00 1.14 O ATOM 0 H ASP A 141 -0.695 15.559 -8.833 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.979 16.608 -7.254 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.831 18.257 -7.386 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.392 18.507 -9.027 1.00 0.60 H new ATOM 805 N LYS A 142 -3.904 15.584 -9.380 1.00 0.62 N ATOM 806 CA LYS A 142 -4.648 15.276 -10.635 1.00 0.70 C ATOM 807 C LYS A 142 -5.725 16.335 -10.888 1.00 0.79 C ATOM 808 O LYS A 142 -6.376 16.338 -11.914 1.00 0.92 O ATOM 809 CB LYS A 142 -5.286 13.909 -10.390 1.00 0.79 C ATOM 810 CG LYS A 142 -4.585 12.858 -11.252 1.00 0.88 C ATOM 811 CD LYS A 142 -5.498 12.459 -12.413 1.00 1.37 C ATOM 812 CE LYS A 142 -4.649 12.159 -13.649 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.024 10.774 -14.047 1.00 2.44 N ATOM 0 H LYS A 142 -4.166 15.022 -8.570 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.998 15.272 -11.510 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.207 13.642 -9.336 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.348 13.943 -10.631 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.645 13.254 -11.635 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.341 11.983 -10.650 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -6.087 11.583 -12.142 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -6.202 13.262 -12.629 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.854 12.869 -14.450 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.585 12.231 -13.424 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.482 10.496 -14.890 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.812 10.119 -13.267 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.041 10.738 -14.262 1.00 2.44 H new ATOM 827 N ASN A 143 -5.918 17.235 -9.962 1.00 0.80 N ATOM 828 CA ASN A 143 -6.953 18.292 -10.155 1.00 0.95 C ATOM 829 C ASN A 143 -6.313 19.553 -10.742 1.00 0.92 C ATOM 830 O ASN A 143 -6.969 20.357 -11.373 1.00 1.08 O ATOM 831 CB ASN A 143 -7.503 18.575 -8.755 1.00 1.07 C ATOM 832 CG ASN A 143 -7.740 17.255 -8.019 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.583 16.472 -8.408 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.026 16.973 -6.962 1.00 1.70 N ATOM 0 H ASN A 143 -5.405 17.284 -9.082 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.738 17.979 -10.844 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.801 19.194 -8.196 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.435 19.136 -8.826 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.177 16.096 -6.464 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.318 17.630 -6.635 1.00 1.70 H new ATOM 841 N ASN A 144 -5.037 19.731 -10.537 1.00 0.86 N ATOM 842 CA ASN A 144 -4.357 20.940 -11.082 1.00 0.93 C ATOM 843 C ASN A 144 -5.062 22.207 -10.592 1.00 1.03 C ATOM 844 O ASN A 144 -5.223 23.163 -11.325 1.00 1.71 O ATOM 845 CB ASN A 144 -4.475 20.813 -12.601 1.00 1.08 C ATOM 846 CG ASN A 144 -3.435 21.712 -13.270 1.00 1.49 C ATOM 847 OD1 ASN A 144 -2.326 21.841 -12.789 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.747 22.344 -14.368 1.00 1.97 N ATOM 0 H ASN A 144 -4.436 19.092 -10.016 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.318 21.009 -10.760 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.323 19.777 -12.903 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.477 21.096 -12.924 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.060 22.946 -14.823 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.677 22.236 -14.772 1.00 1.97 H new ATOM 855 N ASP A 145 -5.483 22.222 -9.357 1.00 0.88 N ATOM 856 CA ASP A 145 -6.176 23.428 -8.820 1.00 0.92 C ATOM 857 C ASP A 145 -5.151 24.505 -8.459 1.00 0.91 C ATOM 858 O ASP A 145 -5.484 25.661 -8.288 1.00 1.07 O ATOM 859 CB ASP A 145 -6.909 22.942 -7.569 1.00 0.93 C ATOM 860 CG ASP A 145 -5.902 22.340 -6.588 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.739 22.248 -6.945 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.311 21.982 -5.496 1.00 2.06 O ATOM 0 H ASP A 145 -5.377 21.452 -8.697 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.860 23.869 -9.545 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.438 23.771 -7.100 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.658 22.198 -7.840 1.00 0.93 H new ATOM 867 N GLY A 146 -3.905 24.135 -8.345 1.00 0.84 N ATOM 868 CA GLY A 146 -2.859 25.139 -7.999 1.00 0.92 C ATOM 869 C GLY A 146 -2.338 24.874 -6.586 1.00 0.66 C ATOM 870 O GLY A 146 -1.665 25.698 -5.999 1.00 0.74 O ATOM 0 H GLY A 146 -3.566 23.182 -8.476 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.039 25.086 -8.715 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.272 26.146 -8.062 1.00 0.92 H new ATOM 874 N ARG A 147 -2.644 23.733 -6.032 1.00 0.56 N ATOM 875 CA ARG A 147 -2.163 23.425 -4.655 1.00 0.54 C ATOM 876 C ARG A 147 -2.146 21.912 -4.422 1.00 0.46 C ATOM 877 O ARG A 147 -3.041 21.199 -4.831 1.00 0.45 O ATOM 878 CB ARG A 147 -3.174 24.099 -3.726 1.00 0.77 C ATOM 879 CG ARG A 147 -4.588 23.650 -4.097 1.00 1.39 C ATOM 880 CD ARG A 147 -5.404 23.427 -2.822 1.00 1.79 C ATOM 881 NE ARG A 147 -5.698 24.794 -2.309 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.118 24.958 -1.083 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.267 23.926 -0.296 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.387 26.155 -0.640 1.00 3.37 N ATOM 0 H ARG A 147 -3.204 23.003 -6.471 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.147 23.781 -4.484 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.959 23.840 -2.689 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.092 25.183 -3.808 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -5.068 24.403 -4.722 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.548 22.731 -4.681 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -6.322 22.878 -3.032 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.844 22.843 -2.092 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.571 25.604 -2.916 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.055 22.989 -0.638 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.595 24.057 0.661 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -6.269 26.963 -1.251 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -6.715 26.283 0.317 1.00 3.37 H new ATOM 898 N ILE A 148 -1.132 21.417 -3.765 1.00 0.49 N ATOM 899 CA ILE A 148 -1.058 19.951 -3.503 1.00 0.44 C ATOM 900 C ILE A 148 -1.382 19.659 -2.036 1.00 0.46 C ATOM 901 O ILE A 148 -0.561 19.847 -1.161 1.00 0.63 O ATOM 902 CB ILE A 148 0.388 19.562 -3.812 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.603 19.552 -5.329 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.668 18.168 -3.246 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.914 18.833 -5.658 1.00 0.63 C ATOM 0 H ILE A 148 -0.353 21.964 -3.399 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.771 19.391 -4.108 1.00 0.44 H new ATOM 0 HB ILE A 148 1.066 20.284 -3.357 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.231 19.052 -5.821 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.631 20.573 -5.709 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.698 17.887 -3.464 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.515 18.176 -2.167 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.009 17.447 -3.703 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.065 18.827 -6.738 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.744 19.352 -5.179 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.868 17.807 -5.293 1.00 0.63 H new ATOM 917 N ASP A 149 -2.570 19.196 -1.759 1.00 0.48 N ATOM 918 CA ASP A 149 -2.935 18.890 -0.346 1.00 0.53 C ATOM 919 C ASP A 149 -2.080 17.730 0.174 1.00 0.53 C ATOM 920 O ASP A 149 -1.076 17.377 -0.412 1.00 0.63 O ATOM 921 CB ASP A 149 -4.410 18.491 -0.394 1.00 0.58 C ATOM 922 CG ASP A 149 -5.214 19.593 -1.086 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.291 19.568 -2.303 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.740 20.443 -0.387 1.00 1.84 O ATOM 0 H ASP A 149 -3.302 19.017 -2.447 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.766 19.736 0.320 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.526 17.550 -0.931 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.787 18.330 0.616 1.00 0.58 H new ATOM 929 N TYR A 150 -2.471 17.133 1.266 1.00 0.58 N ATOM 930 CA TYR A 150 -1.679 15.994 1.815 1.00 0.60 C ATOM 931 C TYR A 150 -2.110 14.691 1.142 1.00 0.59 C ATOM 932 O TYR A 150 -1.334 14.038 0.473 1.00 0.63 O ATOM 933 CB TYR A 150 -2.011 15.961 3.305 1.00 0.73 C ATOM 934 CG TYR A 150 -0.831 15.424 4.077 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.418 14.099 3.893 1.00 1.15 C ATOM 936 CD2 TYR A 150 -0.151 16.250 4.980 1.00 1.22 C ATOM 937 CE1 TYR A 150 0.675 13.601 4.612 1.00 1.43 C ATOM 938 CE2 TYR A 150 0.941 15.751 5.700 1.00 1.56 C ATOM 939 CZ TYR A 150 1.354 14.427 5.515 1.00 1.48 C ATOM 940 OH TYR A 150 2.429 13.936 6.225 1.00 1.96 O ATOM 0 H TYR A 150 -3.302 17.383 1.801 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.609 16.109 1.641 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.261 16.963 3.654 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.887 15.335 3.479 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.942 13.461 3.197 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -0.469 17.272 5.121 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.994 12.579 4.470 1.00 1.43 H new ATOM 0 HE2 TYR A 150 1.464 16.388 6.398 1.00 1.56 H new ATOM 0 HH TYR A 150 3.179 13.776 5.614 1.00 1.96 H new ATOM 950 N ASP A 151 -3.346 14.310 1.311 1.00 0.64 N ATOM 951 CA ASP A 151 -3.831 13.052 0.676 1.00 0.70 C ATOM 952 C ASP A 151 -3.402 13.015 -0.793 1.00 0.63 C ATOM 953 O ASP A 151 -3.043 11.981 -1.319 1.00 0.77 O ATOM 954 CB ASP A 151 -5.354 13.113 0.792 1.00 0.79 C ATOM 955 CG ASP A 151 -5.822 12.164 1.898 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.808 10.966 1.669 1.00 1.90 O ATOM 957 OD2 ASP A 151 -6.187 12.653 2.954 1.00 1.83 O ATOM 0 H ASP A 151 -4.041 14.815 1.861 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.425 12.159 1.151 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.672 14.132 1.014 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.813 12.836 -0.157 1.00 0.79 H new ATOM 962 N GLU A 152 -3.434 14.140 -1.456 1.00 0.54 N ATOM 963 CA GLU A 152 -3.025 14.173 -2.888 1.00 0.56 C ATOM 964 C GLU A 152 -1.564 13.738 -3.024 1.00 0.52 C ATOM 965 O GLU A 152 -1.108 13.383 -4.093 1.00 0.65 O ATOM 966 CB GLU A 152 -3.192 15.633 -3.313 1.00 0.60 C ATOM 967 CG GLU A 152 -4.601 15.845 -3.873 1.00 0.77 C ATOM 968 CD GLU A 152 -4.952 17.333 -3.825 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.036 18.135 -3.742 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.130 17.646 -3.873 1.00 1.40 O ATOM 0 H GLU A 152 -3.726 15.037 -1.067 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.618 13.499 -3.506 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.025 16.292 -2.461 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.447 15.891 -4.066 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.654 15.481 -4.899 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.324 15.271 -3.293 1.00 0.77 H new ATOM 977 N PHE A 153 -0.828 13.762 -1.947 1.00 0.46 N ATOM 978 CA PHE A 153 0.603 13.348 -2.012 1.00 0.46 C ATOM 979 C PHE A 153 0.708 11.821 -2.068 1.00 0.50 C ATOM 980 O PHE A 153 1.475 11.270 -2.832 1.00 0.64 O ATOM 981 CB PHE A 153 1.231 13.883 -0.725 1.00 0.49 C ATOM 982 CG PHE A 153 2.666 13.420 -0.639 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.561 13.720 -1.674 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.102 12.691 0.473 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.891 13.290 -1.596 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.433 12.261 0.551 1.00 0.61 C ATOM 987 CZ PHE A 153 5.327 12.561 -0.484 1.00 0.68 C ATOM 0 H PHE A 153 -1.155 14.050 -1.025 1.00 0.46 H new ATOM 0 HA PHE A 153 1.105 13.734 -2.899 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.187 14.972 -0.711 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.671 13.530 0.141 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.225 14.283 -2.532 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.412 12.460 1.271 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.581 13.521 -2.394 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.769 11.698 1.409 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.353 12.230 -0.424 1.00 0.68 H new ATOM 997 N LEU A 154 -0.058 11.134 -1.265 1.00 0.53 N ATOM 998 CA LEU A 154 -0.001 9.644 -1.274 1.00 0.62 C ATOM 999 C LEU A 154 -0.161 9.118 -2.704 1.00 0.65 C ATOM 1000 O LEU A 154 0.366 8.081 -3.056 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.177 9.197 -0.404 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.650 8.561 0.883 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.157 7.308 0.540 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.250 9.561 1.614 1.00 1.20 C ATOM 0 H LEU A 154 -0.720 11.539 -0.604 1.00 0.53 H new ATOM 0 HA LEU A 154 0.950 9.265 -0.900 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.812 10.051 -0.166 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.794 8.482 -0.948 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.489 8.289 1.523 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.533 6.855 1.457 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.482 6.595 0.018 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.996 7.580 -0.100 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.626 9.109 2.532 1.00 1.20 H new ATOM 0 HD22 LEU A 154 1.089 9.832 0.973 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.323 10.455 1.859 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.885 9.823 -3.529 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.079 9.362 -4.934 1.00 0.81 C ATOM 1018 C GLU A 155 0.182 9.632 -5.760 1.00 0.76 C ATOM 1019 O GLU A 155 0.519 8.884 -6.657 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.255 10.185 -5.461 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.539 9.358 -5.371 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.644 8.443 -6.592 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.622 8.187 -7.206 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.746 8.012 -6.891 1.00 2.77 O ATOM 0 H GLU A 155 -1.351 10.699 -3.292 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.272 8.291 -4.995 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.359 11.102 -4.881 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.072 10.480 -6.494 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.538 8.764 -4.457 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.406 10.017 -5.322 1.00 1.41 H new ATOM 1031 N PHE A 156 0.883 10.694 -5.466 1.00 0.66 N ATOM 1032 CA PHE A 156 2.121 11.005 -6.237 1.00 0.77 C ATOM 1033 C PHE A 156 3.068 9.803 -6.215 1.00 0.71 C ATOM 1034 O PHE A 156 3.593 9.396 -7.232 1.00 0.88 O ATOM 1035 CB PHE A 156 2.751 12.199 -5.517 1.00 0.84 C ATOM 1036 CG PHE A 156 4.053 12.566 -6.191 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.047 13.096 -7.487 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.266 12.377 -5.518 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.254 13.437 -8.110 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.473 12.718 -6.141 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.467 13.248 -7.436 1.00 1.53 C ATOM 0 H PHE A 156 0.653 11.358 -4.727 1.00 0.66 H new ATOM 0 HA PHE A 156 1.912 11.228 -7.283 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.068 13.049 -5.534 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.928 11.953 -4.470 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.111 13.242 -8.006 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.271 11.968 -4.518 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.249 13.846 -9.110 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.409 12.572 -5.622 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.398 13.511 -7.916 1.00 1.53 H new ATOM 1051 N MET A 157 3.287 9.228 -5.064 1.00 0.61 N ATOM 1052 CA MET A 157 4.197 8.050 -4.982 1.00 0.69 C ATOM 1053 C MET A 157 3.551 6.840 -5.662 1.00 0.83 C ATOM 1054 O MET A 157 4.219 5.903 -6.050 1.00 1.17 O ATOM 1055 CB MET A 157 4.380 7.792 -3.486 1.00 0.84 C ATOM 1056 CG MET A 157 4.912 9.057 -2.810 1.00 0.92 C ATOM 1057 SD MET A 157 6.374 9.647 -3.699 1.00 1.56 S ATOM 1058 CE MET A 157 7.428 9.909 -2.251 1.00 0.90 C ATOM 0 H MET A 157 2.876 9.522 -4.178 1.00 0.61 H new ATOM 0 HA MET A 157 5.149 8.226 -5.482 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.430 7.500 -3.038 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.073 6.965 -3.331 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.142 9.829 -2.802 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.165 8.848 -1.771 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.217 10.619 -2.499 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.828 10.305 -1.431 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.874 8.961 -1.950 1.00 0.90 H new ATOM 1068 N LYS A 158 2.254 6.856 -5.809 1.00 0.86 N ATOM 1069 CA LYS A 158 1.562 5.709 -6.465 1.00 1.07 C ATOM 1070 C LYS A 158 2.135 5.479 -7.867 1.00 1.36 C ATOM 1071 O LYS A 158 2.763 4.474 -8.134 1.00 1.73 O ATOM 1072 CB LYS A 158 0.093 6.128 -6.546 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.796 4.971 -6.086 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.782 5.474 -5.029 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.236 5.169 -3.632 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.793 3.832 -3.286 1.00 3.52 N ATOM 0 H LYS A 158 1.643 7.614 -5.503 1.00 0.86 H new ATOM 0 HA LYS A 158 1.690 4.777 -5.914 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.081 7.004 -5.921 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.160 6.410 -7.568 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -1.338 4.555 -6.935 1.00 1.66 H new ATOM 0 HG3 LYS A 158 -0.183 4.169 -5.675 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.938 6.547 -5.143 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -2.752 4.995 -5.164 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.146 5.156 -3.628 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.548 5.925 -2.912 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.463 3.553 -2.340 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.832 3.877 -3.291 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.473 3.131 -3.985 1.00 3.52 H new