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 180:sc= 0 USER MOD Single : A 98 SER OG : rot -98:sc= -0.333 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -155:sc= -0.123 (180deg=-0.311) USER MOD Single : A 107 ASN : amide:sc= -0.0563 K(o=-0.056,f=-1.1) 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 -128:sc= -3.05 (180deg=-7.82!) USER MOD Single : A 122 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.9!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -117:sc= -3.02 (180deg=-6.45!) USER MOD Single : A 138 LYS NZ :NH3+ -131:sc= -0.0871 (180deg=-0.786) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.31! C(o=-2.3!,f=-7.1!) USER MOD Single : A 144 ASN : amide:sc= 0 K(o=0,f=0.53) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 171:sc= 0 (180deg=-0.00138) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 6.134 5.730 0.790 1.00 1.27 N ATOM 28 CA LYS A 92 5.631 4.409 0.315 1.00 1.47 C ATOM 29 C LYS A 92 4.177 4.208 0.753 1.00 1.40 C ATOM 30 O LYS A 92 3.282 4.108 -0.061 1.00 1.56 O ATOM 31 CB LYS A 92 6.542 3.377 0.983 1.00 1.61 C ATOM 32 CG LYS A 92 6.558 2.095 0.148 1.00 1.94 C ATOM 33 CD LYS A 92 7.810 2.072 -0.731 1.00 2.31 C ATOM 34 CE LYS A 92 8.905 1.258 -0.039 1.00 2.59 C ATOM 35 NZ LYS A 92 10.130 1.488 -0.855 1.00 3.20 N ATOM 0 HA LYS A 92 5.648 4.325 -0.772 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.552 3.775 1.077 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.188 3.163 1.991 1.00 1.61 H new ATOM 0 HG2 LYS A 92 6.544 1.223 0.802 1.00 1.94 H new ATOM 0 HG3 LYS A 92 5.664 2.042 -0.473 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.577 1.636 -1.703 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.158 3.089 -0.913 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.049 1.586 0.991 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.647 0.200 -0.004 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.926 0.961 -0.442 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 9.965 1.160 -1.828 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 10.355 2.503 -0.865 1.00 3.20 H new ATOM 49 N SER A 93 3.937 4.152 2.034 1.00 1.38 N ATOM 50 CA SER A 93 2.542 3.961 2.525 1.00 1.40 C ATOM 51 C SER A 93 2.189 5.042 3.550 1.00 1.20 C ATOM 52 O SER A 93 3.052 5.710 4.084 1.00 1.08 O ATOM 53 CB SER A 93 2.538 2.580 3.179 1.00 1.60 C ATOM 54 OG SER A 93 1.202 2.100 3.253 1.00 2.20 O ATOM 0 H SER A 93 4.646 4.230 2.763 1.00 1.38 H new ATOM 0 HA SER A 93 1.808 4.034 1.722 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.153 1.890 2.602 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.972 2.636 4.177 1.00 1.60 H new ATOM 0 HG SER A 93 1.196 1.213 3.670 1.00 2.20 H new ATOM 60 N GLU A 94 0.927 5.219 3.829 1.00 1.26 N ATOM 61 CA GLU A 94 0.521 6.256 4.820 1.00 1.17 C ATOM 62 C GLU A 94 1.427 6.192 6.051 1.00 1.12 C ATOM 63 O GLU A 94 1.609 7.168 6.752 1.00 1.09 O ATOM 64 CB GLU A 94 -0.919 5.903 5.196 1.00 1.33 C ATOM 65 CG GLU A 94 -1.781 5.862 3.934 1.00 1.28 C ATOM 66 CD GLU A 94 -3.247 6.076 4.311 1.00 1.44 C ATOM 67 OE1 GLU A 94 -3.530 6.139 5.496 1.00 2.09 O ATOM 68 OE2 GLU A 94 -4.062 6.175 3.409 1.00 1.94 O ATOM 0 H GLU A 94 0.159 4.691 3.414 1.00 1.26 H new ATOM 0 HA GLU A 94 0.601 7.266 4.418 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.948 4.937 5.700 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.314 6.640 5.895 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.458 6.633 3.235 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.660 4.903 3.429 1.00 1.28 H new ATOM 75 N GLU A 95 1.997 5.049 6.320 1.00 1.19 N ATOM 76 CA GLU A 95 2.891 4.922 7.506 1.00 1.23 C ATOM 77 C GLU A 95 3.952 6.026 7.490 1.00 1.03 C ATOM 78 O GLU A 95 4.054 6.815 8.408 1.00 1.01 O ATOM 79 CB GLU A 95 3.541 3.544 7.366 1.00 1.45 C ATOM 80 CG GLU A 95 2.593 2.478 7.921 1.00 1.90 C ATOM 81 CD GLU A 95 2.915 1.125 7.284 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.322 1.115 6.134 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.747 0.121 7.958 1.00 2.49 O ATOM 0 H GLU A 95 1.882 4.198 5.770 1.00 1.19 H new ATOM 0 HA GLU A 95 2.348 5.021 8.446 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.764 3.339 6.319 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.489 3.520 7.904 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.694 2.415 9.004 1.00 1.90 H new ATOM 0 HG3 GLU A 95 1.559 2.753 7.713 1.00 1.90 H new ATOM 90 N GLU A 96 4.742 6.090 6.452 1.00 1.02 N ATOM 91 CA GLU A 96 5.793 7.147 6.381 1.00 0.94 C ATOM 92 C GLU A 96 5.238 8.402 5.702 1.00 0.79 C ATOM 93 O GLU A 96 5.484 9.511 6.131 1.00 0.82 O ATOM 94 CB GLU A 96 6.915 6.536 5.542 1.00 1.15 C ATOM 95 CG GLU A 96 7.920 5.838 6.461 1.00 1.62 C ATOM 96 CD GLU A 96 7.418 4.432 6.791 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.009 3.740 5.874 1.00 2.18 O ATOM 98 OE2 GLU A 96 7.452 4.070 7.956 1.00 2.78 O ATOM 0 H GLU A 96 4.706 5.458 5.652 1.00 1.02 H new ATOM 0 HA GLU A 96 6.141 7.449 7.369 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.502 5.823 4.829 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.415 7.313 4.963 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.895 5.783 5.977 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.051 6.413 7.377 1.00 1.62 H new ATOM 105 N LEU A 97 4.493 8.236 4.643 1.00 0.77 N ATOM 106 CA LEU A 97 3.925 9.421 3.936 1.00 0.71 C ATOM 107 C LEU A 97 3.399 10.441 4.950 1.00 0.67 C ATOM 108 O LEU A 97 3.710 11.614 4.883 1.00 0.75 O ATOM 109 CB LEU A 97 2.779 8.866 3.088 1.00 0.80 C ATOM 110 CG LEU A 97 3.345 7.955 1.997 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.237 7.595 1.007 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.472 8.682 1.259 1.00 1.22 C ATOM 0 H LEU A 97 4.253 7.332 4.236 1.00 0.77 H new ATOM 0 HA LEU A 97 4.670 9.934 3.328 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.084 8.309 3.717 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.217 9.684 2.638 1.00 0.80 H new ATOM 0 HG LEU A 97 3.736 7.045 2.451 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.640 6.946 0.230 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.434 7.077 1.532 1.00 1.40 H new ATOM 0 HD13 LEU A 97 1.845 8.505 0.553 1.00 1.40 H new ATOM 0 HD21 LEU A 97 4.876 8.033 0.482 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.081 9.593 0.805 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.263 8.938 1.964 1.00 1.22 H new ATOM 124 N SER A 98 2.605 10.005 5.891 1.00 0.69 N ATOM 125 CA SER A 98 2.065 10.955 6.906 1.00 0.76 C ATOM 126 C SER A 98 3.181 11.876 7.404 1.00 0.72 C ATOM 127 O SER A 98 2.988 13.062 7.582 1.00 0.77 O ATOM 128 CB SER A 98 1.554 10.072 8.042 1.00 0.92 C ATOM 129 OG SER A 98 2.636 9.742 8.903 1.00 1.57 O ATOM 0 H SER A 98 2.308 9.035 6.001 1.00 0.69 H new ATOM 0 HA SER A 98 1.279 11.592 6.502 1.00 0.76 H new ATOM 0 HB2 SER A 98 0.775 10.592 8.600 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.105 9.164 7.639 1.00 0.92 H new ATOM 0 HG SER A 98 2.980 8.855 8.670 1.00 1.57 H new ATOM 135 N ASP A 99 4.348 11.337 7.627 1.00 0.80 N ATOM 136 CA ASP A 99 5.478 12.179 8.108 1.00 0.86 C ATOM 137 C ASP A 99 6.199 12.812 6.916 1.00 0.81 C ATOM 138 O ASP A 99 6.936 13.768 7.057 1.00 0.91 O ATOM 139 CB ASP A 99 6.406 11.215 8.847 1.00 1.02 C ATOM 140 CG ASP A 99 5.876 10.979 10.262 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.100 11.830 11.107 1.00 1.83 O ATOM 142 OD2 ASP A 99 5.254 9.951 10.478 1.00 1.79 O ATOM 0 H ASP A 99 4.567 10.349 7.497 1.00 0.80 H new ATOM 0 HA ASP A 99 5.146 12.993 8.752 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.469 10.269 8.308 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.415 11.625 8.889 1.00 1.02 H new ATOM 147 N LEU A 100 5.987 12.285 5.741 1.00 0.75 N ATOM 148 CA LEU A 100 6.656 12.854 4.537 1.00 0.76 C ATOM 149 C LEU A 100 5.876 14.070 4.030 1.00 0.68 C ATOM 150 O LEU A 100 6.385 14.874 3.274 1.00 0.79 O ATOM 151 CB LEU A 100 6.634 11.727 3.503 1.00 0.86 C ATOM 152 CG LEU A 100 8.026 11.571 2.888 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.900 10.713 3.806 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.905 10.890 1.523 1.00 1.41 C ATOM 0 H LEU A 100 5.380 11.485 5.563 1.00 0.75 H new ATOM 0 HA LEU A 100 7.671 13.192 4.745 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.326 10.793 3.974 1.00 0.86 H new ATOM 0 HB3 LEU A 100 5.904 11.948 2.725 1.00 0.86 H new ATOM 0 HG LEU A 100 8.481 12.554 2.769 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.891 10.603 3.366 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.987 11.194 4.780 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.445 9.730 3.926 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.896 10.778 1.083 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.449 9.907 1.646 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.283 11.499 0.866 1.00 1.41 H new ATOM 166 N PHE A 101 4.645 14.214 4.444 1.00 0.60 N ATOM 167 CA PHE A 101 3.837 15.383 3.990 1.00 0.59 C ATOM 168 C PHE A 101 4.188 16.615 4.827 1.00 0.60 C ATOM 169 O PHE A 101 4.553 17.649 4.302 1.00 0.72 O ATOM 170 CB PHE A 101 2.380 14.978 4.215 1.00 0.61 C ATOM 171 CG PHE A 101 1.473 15.945 3.490 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.361 15.888 2.095 1.00 0.86 C ATOM 173 CD2 PHE A 101 0.745 16.900 4.211 1.00 0.68 C ATOM 174 CE1 PHE A 101 0.523 16.785 1.422 1.00 0.90 C ATOM 175 CE2 PHE A 101 -0.094 17.797 3.537 1.00 0.73 C ATOM 176 CZ PHE A 101 -0.205 17.739 2.142 1.00 0.69 C ATOM 0 H PHE A 101 4.165 13.573 5.076 1.00 0.60 H new ATOM 0 HA PHE A 101 4.027 15.637 2.947 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.213 13.964 3.852 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.152 14.977 5.281 1.00 0.61 H new ATOM 0 HD1 PHE A 101 1.921 15.152 1.538 1.00 0.86 H new ATOM 0 HD2 PHE A 101 0.830 16.945 5.287 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.438 16.741 0.346 1.00 0.90 H new ATOM 0 HE2 PHE A 101 -0.655 18.533 4.093 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.852 18.430 1.622 1.00 0.69 H new ATOM 186 N ARG A 102 4.086 16.513 6.124 1.00 0.67 N ATOM 187 CA ARG A 102 4.421 17.679 6.990 1.00 0.76 C ATOM 188 C ARG A 102 5.872 18.098 6.752 1.00 0.68 C ATOM 189 O ARG A 102 6.237 19.244 6.929 1.00 0.78 O ATOM 190 CB ARG A 102 4.232 17.181 8.424 1.00 0.99 C ATOM 191 CG ARG A 102 5.001 15.873 8.618 1.00 1.30 C ATOM 192 CD ARG A 102 6.072 16.065 9.695 1.00 1.45 C ATOM 193 NE ARG A 102 5.312 16.316 10.952 1.00 2.12 N ATOM 194 CZ ARG A 102 5.898 16.886 11.971 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.155 17.232 11.896 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.225 17.110 13.066 1.00 3.37 N ATOM 0 H ARG A 102 3.786 15.674 6.621 1.00 0.67 H new ATOM 0 HA ARG A 102 3.796 18.547 6.781 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.587 17.932 9.130 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.173 17.026 8.629 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.317 15.076 8.909 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.464 15.569 7.680 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.704 15.182 9.785 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.727 16.903 9.456 1.00 1.45 H new ATOM 0 HE ARG A 102 4.332 16.042 11.017 1.00 2.12 H new ATOM 0 HH11 ARG A 102 7.682 17.057 11.040 1.00 3.07 H new ATOM 0 HH12 ARG A 102 7.610 17.677 12.693 1.00 3.07 H new ATOM 0 HH21 ARG A 102 4.243 16.840 13.125 1.00 3.37 H new ATOM 0 HH22 ARG A 102 5.681 17.555 13.863 1.00 3.37 H new ATOM 210 N MET A 103 6.702 17.176 6.345 1.00 0.71 N ATOM 211 CA MET A 103 8.130 17.517 6.087 1.00 0.75 C ATOM 212 C MET A 103 8.286 18.055 4.663 1.00 0.68 C ATOM 213 O MET A 103 9.012 18.997 4.420 1.00 0.83 O ATOM 214 CB MET A 103 8.889 16.200 6.254 1.00 0.93 C ATOM 215 CG MET A 103 10.377 16.429 5.983 1.00 1.27 C ATOM 216 SD MET A 103 11.074 14.967 5.176 1.00 1.82 S ATOM 217 CE MET A 103 12.116 15.842 3.984 1.00 2.43 C ATOM 0 H MET A 103 6.452 16.201 6.180 1.00 0.71 H new ATOM 0 HA MET A 103 8.505 18.286 6.762 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.748 15.812 7.263 1.00 0.93 H new ATOM 0 HB3 MET A 103 8.495 15.451 5.567 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.512 17.306 5.350 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.902 16.627 6.918 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.650 15.119 3.368 1.00 2.43 H new ATOM 0 HE2 MET A 103 11.492 16.470 3.348 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.834 16.465 4.517 1.00 2.43 H new ATOM 227 N PHE A 104 7.601 17.466 3.720 1.00 0.68 N ATOM 228 CA PHE A 104 7.703 17.948 2.313 1.00 0.79 C ATOM 229 C PHE A 104 7.423 19.451 2.258 1.00 0.71 C ATOM 230 O PHE A 104 8.215 20.224 1.756 1.00 0.88 O ATOM 231 CB PHE A 104 6.625 17.177 1.551 1.00 0.94 C ATOM 232 CG PHE A 104 7.265 16.074 0.742 1.00 1.31 C ATOM 233 CD1 PHE A 104 8.175 15.199 1.346 1.00 2.03 C ATOM 234 CD2 PHE A 104 6.946 15.927 -0.614 1.00 1.26 C ATOM 235 CE1 PHE A 104 8.766 14.176 0.595 1.00 2.65 C ATOM 236 CE2 PHE A 104 7.537 14.903 -1.365 1.00 1.86 C ATOM 237 CZ PHE A 104 8.447 14.028 -0.760 1.00 2.56 C ATOM 0 H PHE A 104 6.976 16.673 3.863 1.00 0.68 H new ATOM 0 HA PHE A 104 8.694 17.788 1.889 1.00 0.79 H new ATOM 0 HB2 PHE A 104 5.902 16.756 2.250 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.077 17.852 0.894 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.421 15.313 2.391 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.245 16.603 -1.080 1.00 1.26 H new ATOM 0 HE1 PHE A 104 9.468 13.501 1.061 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.291 14.789 -2.410 1.00 1.86 H new ATOM 0 HZ PHE A 104 8.903 13.238 -1.339 1.00 2.56 H new ATOM 247 N ASP A 105 6.299 19.869 2.774 1.00 0.61 N ATOM 248 CA ASP A 105 5.964 21.321 2.756 1.00 0.60 C ATOM 249 C ASP A 105 6.978 22.107 3.591 1.00 0.56 C ATOM 250 O ASP A 105 6.782 22.339 4.768 1.00 0.63 O ATOM 251 CB ASP A 105 4.570 21.411 3.378 1.00 0.68 C ATOM 252 CG ASP A 105 4.082 22.860 3.332 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.404 23.542 2.374 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.395 23.262 4.256 1.00 1.45 O ATOM 0 H ASP A 105 5.598 19.267 3.207 1.00 0.61 H new ATOM 0 HA ASP A 105 5.989 21.740 1.750 1.00 0.60 H new ATOM 0 HB2 ASP A 105 3.877 20.766 2.838 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.597 21.058 4.409 1.00 0.68 H new ATOM 259 N LYS A 106 8.061 22.518 2.992 1.00 0.59 N ATOM 260 CA LYS A 106 9.087 23.288 3.751 1.00 0.66 C ATOM 261 C LYS A 106 8.627 24.737 3.940 1.00 0.55 C ATOM 262 O LYS A 106 9.217 25.492 4.687 1.00 0.63 O ATOM 263 CB LYS A 106 10.345 23.232 2.884 1.00 0.87 C ATOM 264 CG LYS A 106 10.085 23.955 1.561 1.00 1.21 C ATOM 265 CD LYS A 106 10.886 25.258 1.527 1.00 1.61 C ATOM 266 CE LYS A 106 12.363 24.956 1.791 1.00 1.77 C ATOM 267 NZ LYS A 106 13.091 25.571 0.646 1.00 2.14 N ATOM 0 H LYS A 106 8.280 22.354 2.009 1.00 0.59 H new ATOM 0 HA LYS A 106 9.260 22.878 4.746 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.181 23.697 3.407 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.624 22.195 2.696 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.370 23.318 0.724 1.00 1.21 H new ATOM 0 HG3 LYS A 106 9.021 24.166 1.453 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.771 25.743 0.558 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.506 25.951 2.278 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.689 25.380 2.740 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.543 23.882 1.843 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 13.998 25.081 0.508 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 12.516 25.486 -0.217 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.268 26.576 0.847 1.00 2.14 H new ATOM 281 N ASN A 107 7.578 25.129 3.271 1.00 0.48 N ATOM 282 CA ASN A 107 7.083 26.528 3.416 1.00 0.50 C ATOM 283 C ASN A 107 6.290 26.675 4.718 1.00 0.58 C ATOM 284 O ASN A 107 6.025 27.770 5.175 1.00 0.70 O ATOM 285 CB ASN A 107 6.176 26.757 2.207 1.00 0.54 C ATOM 286 CG ASN A 107 5.571 28.160 2.282 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.210 29.086 2.741 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.357 28.358 1.845 1.00 0.78 N ATOM 0 H ASN A 107 7.042 24.542 2.631 1.00 0.48 H new ATOM 0 HA ASN A 107 7.897 27.252 3.456 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.746 26.644 1.285 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.384 26.008 2.186 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.945 29.290 1.889 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.821 27.581 1.460 1.00 0.78 H new ATOM 295 N ALA A 108 5.909 25.579 5.318 1.00 0.65 N ATOM 296 CA ALA A 108 5.132 25.652 6.591 1.00 0.84 C ATOM 297 C ALA A 108 3.734 26.218 6.324 1.00 0.78 C ATOM 298 O ALA A 108 3.523 27.414 6.347 1.00 0.96 O ATOM 299 CB ALA A 108 5.930 26.592 7.495 1.00 1.03 C ATOM 0 H ALA A 108 6.102 24.635 4.982 1.00 0.65 H new ATOM 0 HA ALA A 108 4.996 24.672 7.048 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.420 26.696 8.453 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.927 26.182 7.657 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.013 27.570 7.020 1.00 1.03 H new ATOM 305 N ASP A 109 2.779 25.366 6.070 1.00 0.73 N ATOM 306 CA ASP A 109 1.396 25.855 5.800 1.00 0.74 C ATOM 307 C ASP A 109 0.426 24.673 5.705 1.00 0.78 C ATOM 308 O ASP A 109 -0.711 24.755 6.125 1.00 0.96 O ATOM 309 CB ASP A 109 1.487 26.584 4.458 1.00 0.72 C ATOM 310 CG ASP A 109 2.303 25.745 3.473 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.727 24.863 2.857 1.00 1.95 O ATOM 312 OD2 ASP A 109 3.490 25.999 3.351 1.00 1.66 O ATOM 0 H ASP A 109 2.896 24.353 6.038 1.00 0.73 H new ATOM 0 HA ASP A 109 1.027 26.506 6.592 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.488 26.761 4.060 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.953 27.560 4.594 1.00 0.72 H new ATOM 317 N GLY A 110 0.869 23.574 5.158 1.00 0.76 N ATOM 318 CA GLY A 110 -0.026 22.388 5.038 1.00 0.85 C ATOM 319 C GLY A 110 -0.312 22.108 3.562 1.00 0.70 C ATOM 320 O GLY A 110 -1.251 21.414 3.222 1.00 0.73 O ATOM 0 H GLY A 110 1.811 23.446 4.789 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.442 21.518 5.499 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.959 22.568 5.572 1.00 0.85 H new ATOM 324 N TYR A 111 0.488 22.641 2.680 1.00 0.68 N ATOM 325 CA TYR A 111 0.257 22.403 1.227 1.00 0.60 C ATOM 326 C TYR A 111 1.584 22.466 0.463 1.00 0.58 C ATOM 327 O TYR A 111 2.590 22.903 0.985 1.00 0.83 O ATOM 328 CB TYR A 111 -0.674 23.533 0.786 1.00 0.68 C ATOM 329 CG TYR A 111 -2.043 23.318 1.387 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.339 23.834 2.655 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.016 22.603 0.678 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.608 23.635 3.213 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.285 22.404 1.236 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.580 22.921 2.503 1.00 0.80 C ATOM 335 OH TYR A 111 -5.831 22.726 3.053 1.00 0.90 O ATOM 0 H TYR A 111 1.291 23.230 2.902 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.174 21.421 1.031 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.272 24.495 1.104 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.742 23.560 -0.302 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.589 24.385 3.202 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.788 22.205 -0.300 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -3.836 24.032 4.191 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.035 21.852 0.689 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.386 22.212 2.430 1.00 0.90 H new ATOM 345 N ILE A 112 1.593 22.030 -0.767 1.00 0.50 N ATOM 346 CA ILE A 112 2.857 22.063 -1.559 1.00 0.50 C ATOM 347 C ILE A 112 2.599 22.662 -2.945 1.00 0.49 C ATOM 348 O ILE A 112 1.762 22.191 -3.690 1.00 0.66 O ATOM 349 CB ILE A 112 3.284 20.601 -1.680 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.616 20.051 -0.290 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.521 20.502 -2.575 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.286 18.683 -0.427 1.00 0.66 C ATOM 0 H ILE A 112 0.782 21.653 -1.258 1.00 0.50 H new ATOM 0 HA ILE A 112 3.625 22.676 -1.087 1.00 0.50 H new ATOM 0 HB ILE A 112 2.472 20.021 -2.118 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.277 20.740 0.237 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.707 19.964 0.305 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.825 19.459 -2.661 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.287 20.894 -3.565 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.334 21.082 -2.138 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.522 18.293 0.563 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.610 17.996 -0.936 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.204 18.784 -1.005 1.00 0.66 H new ATOM 364 N ASP A 113 3.313 23.696 -3.299 1.00 0.47 N ATOM 365 CA ASP A 113 3.108 24.319 -4.637 1.00 0.50 C ATOM 366 C ASP A 113 4.073 23.707 -5.655 1.00 0.50 C ATOM 367 O ASP A 113 4.790 22.771 -5.360 1.00 0.57 O ATOM 368 CB ASP A 113 3.415 25.804 -4.434 1.00 0.60 C ATOM 369 CG ASP A 113 2.107 26.579 -4.264 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.435 26.357 -3.271 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.800 27.381 -5.130 1.00 1.85 O ATOM 0 H ASP A 113 4.029 24.136 -2.720 1.00 0.47 H new ATOM 0 HA ASP A 113 2.099 24.160 -5.018 1.00 0.50 H new ATOM 0 HB2 ASP A 113 4.046 25.939 -3.556 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.971 26.191 -5.288 1.00 0.60 H new ATOM 376 N LEU A 114 4.099 24.228 -6.851 1.00 0.52 N ATOM 377 CA LEU A 114 5.021 23.675 -7.884 1.00 0.57 C ATOM 378 C LEU A 114 6.462 24.092 -7.580 1.00 0.63 C ATOM 379 O LEU A 114 7.405 23.424 -7.956 1.00 0.80 O ATOM 380 CB LEU A 114 4.549 24.285 -9.204 1.00 0.62 C ATOM 381 CG LEU A 114 3.511 23.366 -9.849 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.530 24.201 -10.673 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.217 22.360 -10.761 1.00 0.81 C ATOM 0 H LEU A 114 3.523 25.012 -7.158 1.00 0.52 H new ATOM 0 HA LEU A 114 5.006 22.585 -7.913 1.00 0.57 H new ATOM 0 HB2 LEU A 114 4.118 25.271 -9.028 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.396 24.423 -9.876 1.00 0.62 H new ATOM 0 HG LEU A 114 2.967 22.831 -9.071 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.790 23.545 -11.132 1.00 0.91 H new ATOM 0 HD12 LEU A 114 2.026 24.917 -10.023 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.073 24.737 -11.451 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.477 21.705 -11.221 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.762 22.894 -11.539 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.915 21.764 -10.173 1.00 0.81 H new ATOM 395 N ASP A 115 6.640 25.192 -6.901 1.00 0.61 N ATOM 396 CA ASP A 115 8.021 25.651 -6.572 1.00 0.71 C ATOM 397 C ASP A 115 8.583 24.844 -5.399 1.00 0.65 C ATOM 398 O ASP A 115 9.734 24.457 -5.395 1.00 0.89 O ATOM 399 CB ASP A 115 7.869 27.123 -6.185 1.00 0.80 C ATOM 400 CG ASP A 115 7.200 27.885 -7.329 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.848 27.252 -8.311 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.051 29.090 -7.205 1.00 1.76 O ATOM 0 H ASP A 115 5.890 25.793 -6.560 1.00 0.61 H new ATOM 0 HA ASP A 115 8.709 25.518 -7.407 1.00 0.71 H new ATOM 0 HB2 ASP A 115 7.272 27.211 -5.277 1.00 0.80 H new ATOM 0 HB3 ASP A 115 8.846 27.556 -5.968 1.00 0.80 H new ATOM 407 N GLU A 116 7.780 24.588 -4.402 1.00 0.51 N ATOM 408 CA GLU A 116 8.272 23.806 -3.232 1.00 0.48 C ATOM 409 C GLU A 116 8.494 22.345 -3.630 1.00 0.49 C ATOM 410 O GLU A 116 9.213 21.616 -2.977 1.00 0.63 O ATOM 411 CB GLU A 116 7.165 23.919 -2.183 1.00 0.48 C ATOM 412 CG GLU A 116 6.862 25.395 -1.919 1.00 0.57 C ATOM 413 CD GLU A 116 5.545 25.517 -1.150 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.697 24.657 -1.326 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.407 26.467 -0.397 1.00 1.36 O ATOM 0 H GLU A 116 6.806 24.886 -4.347 1.00 0.51 H new ATOM 0 HA GLU A 116 9.224 24.179 -2.856 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.267 23.409 -2.530 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.473 23.429 -1.259 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.672 25.847 -1.347 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.796 25.938 -2.862 1.00 0.57 H new ATOM 422 N LEU A 117 7.883 21.913 -4.700 1.00 0.48 N ATOM 423 CA LEU A 117 8.064 20.500 -5.140 1.00 0.52 C ATOM 424 C LEU A 117 9.457 20.314 -5.745 1.00 0.58 C ATOM 425 O LEU A 117 10.134 19.340 -5.482 1.00 0.69 O ATOM 426 CB LEU A 117 6.989 20.272 -6.204 1.00 0.55 C ATOM 427 CG LEU A 117 5.657 19.938 -5.532 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.552 19.917 -6.589 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.748 18.563 -4.864 1.00 0.53 C ATOM 0 H LEU A 117 7.268 22.476 -5.287 1.00 0.48 H new ATOM 0 HA LEU A 117 7.974 19.796 -4.313 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.881 21.163 -6.822 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.287 19.459 -6.866 1.00 0.55 H new ATOM 0 HG LEU A 117 5.431 20.691 -4.777 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.600 19.679 -6.115 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.486 20.895 -7.066 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.782 19.162 -7.341 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.797 18.327 -4.386 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.973 17.807 -5.616 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.539 18.575 -4.114 1.00 0.53 H new ATOM 441 N LYS A 118 9.889 21.241 -6.557 1.00 0.59 N ATOM 442 CA LYS A 118 11.236 21.114 -7.181 1.00 0.69 C ATOM 443 C LYS A 118 12.298 21.789 -6.306 1.00 0.64 C ATOM 444 O LYS A 118 13.453 21.410 -6.317 1.00 0.73 O ATOM 445 CB LYS A 118 11.118 21.820 -8.534 1.00 0.83 C ATOM 446 CG LYS A 118 10.627 23.254 -8.331 1.00 0.99 C ATOM 447 CD LYS A 118 11.693 24.232 -8.828 1.00 1.35 C ATOM 448 CE LYS A 118 11.025 25.350 -9.631 1.00 1.51 C ATOM 449 NZ LYS A 118 12.085 25.847 -10.553 1.00 1.99 N ATOM 0 H LYS A 118 9.368 22.079 -6.814 1.00 0.59 H new ATOM 0 HA LYS A 118 11.540 20.073 -7.293 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.085 21.825 -9.037 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.426 21.277 -9.178 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.694 23.410 -8.872 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.418 23.432 -7.276 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.238 24.652 -7.983 1.00 1.35 H new ATOM 0 HD3 LYS A 118 12.421 23.709 -9.448 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.163 24.978 -10.184 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.665 26.145 -8.978 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.703 26.617 -11.138 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.890 26.201 -9.998 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.403 25.070 -11.167 1.00 1.99 H new ATOM 463 N ILE A 119 11.922 22.781 -5.543 1.00 0.68 N ATOM 464 CA ILE A 119 12.921 23.462 -4.670 1.00 0.74 C ATOM 465 C ILE A 119 13.440 22.480 -3.619 1.00 0.75 C ATOM 466 O ILE A 119 14.627 22.376 -3.385 1.00 0.85 O ATOM 467 CB ILE A 119 12.160 24.613 -4.011 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.009 25.758 -5.016 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.937 25.110 -2.789 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.094 26.834 -4.433 1.00 1.06 C ATOM 0 H ILE A 119 10.972 23.147 -5.487 1.00 0.68 H new ATOM 0 HA ILE A 119 13.786 23.823 -5.226 1.00 0.74 H new ATOM 0 HB ILE A 119 11.176 24.266 -3.697 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.986 26.183 -5.248 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.595 25.382 -5.952 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.393 25.930 -2.321 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.051 24.295 -2.074 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.921 25.459 -3.101 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.988 27.648 -5.150 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.114 26.404 -4.224 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.527 27.218 -3.509 1.00 1.06 H new ATOM 482 N MET A 120 12.560 21.750 -2.993 1.00 0.85 N ATOM 483 CA MET A 120 13.007 20.767 -1.968 1.00 1.01 C ATOM 484 C MET A 120 14.024 19.806 -2.588 1.00 0.95 C ATOM 485 O MET A 120 14.798 19.173 -1.898 1.00 1.11 O ATOM 486 CB MET A 120 11.736 20.021 -1.560 1.00 1.17 C ATOM 487 CG MET A 120 12.095 18.883 -0.602 1.00 1.52 C ATOM 488 SD MET A 120 10.648 18.458 0.398 1.00 1.88 S ATOM 489 CE MET A 120 9.860 17.356 -0.802 1.00 1.43 C ATOM 0 H MET A 120 11.552 21.791 -3.146 1.00 0.85 H new ATOM 0 HA MET A 120 13.490 21.239 -1.112 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.037 20.707 -1.081 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.236 19.623 -2.443 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.430 18.012 -1.165 1.00 1.52 H new ATOM 0 HG3 MET A 120 12.921 19.183 0.043 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.825 17.662 -0.952 1.00 1.43 H new ATOM 0 HE2 MET A 120 10.395 17.408 -1.750 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.885 16.333 -0.427 1.00 1.43 H new ATOM 499 N LEU A 121 14.028 19.698 -3.889 1.00 0.87 N ATOM 500 CA LEU A 121 14.995 18.783 -4.563 1.00 0.95 C ATOM 501 C LEU A 121 16.299 19.525 -4.875 1.00 0.87 C ATOM 502 O LEU A 121 17.324 18.918 -5.115 1.00 0.97 O ATOM 503 CB LEU A 121 14.299 18.353 -5.855 1.00 1.09 C ATOM 504 CG LEU A 121 13.497 17.074 -5.604 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.444 15.949 -5.182 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.476 17.322 -4.492 1.00 1.80 C ATOM 0 H LEU A 121 13.403 20.204 -4.516 1.00 0.87 H new ATOM 0 HA LEU A 121 15.259 17.929 -3.939 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.638 19.146 -6.205 1.00 1.09 H new ATOM 0 HB3 LEU A 121 15.037 18.184 -6.639 1.00 1.09 H new ATOM 0 HG LEU A 121 12.978 16.788 -6.519 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.871 15.039 -5.004 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.172 15.770 -5.973 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.964 16.235 -4.268 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.905 16.411 -4.313 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.996 17.610 -3.578 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.799 18.122 -4.791 1.00 1.80 H new ATOM 518 N GLN A 122 16.269 20.832 -4.875 1.00 0.82 N ATOM 519 CA GLN A 122 17.510 21.608 -5.175 1.00 0.95 C ATOM 520 C GLN A 122 18.712 20.976 -4.469 1.00 1.04 C ATOM 521 O GLN A 122 19.830 21.047 -4.941 1.00 1.19 O ATOM 522 CB GLN A 122 17.249 23.015 -4.634 1.00 1.14 C ATOM 523 CG GLN A 122 16.590 23.868 -5.720 1.00 1.42 C ATOM 524 CD GLN A 122 16.552 25.331 -5.271 1.00 1.85 C ATOM 525 OE1 GLN A 122 15.524 25.821 -4.846 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.635 26.055 -5.348 1.00 2.28 N ATOM 0 H GLN A 122 15.441 21.395 -4.681 1.00 0.82 H new ATOM 0 HA GLN A 122 17.737 21.621 -6.241 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.605 22.964 -3.756 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.186 23.473 -4.316 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.145 23.778 -6.654 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.579 23.510 -5.914 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.498 25.645 -5.704 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.618 27.031 -5.052 1.00 2.28 H new ATOM 535 N ALA A 123 18.492 20.353 -3.343 1.00 1.09 N ATOM 536 CA ALA A 123 19.625 19.713 -2.613 1.00 1.33 C ATOM 537 C ALA A 123 20.158 18.524 -3.416 1.00 1.38 C ATOM 538 O ALA A 123 21.326 18.196 -3.358 1.00 1.62 O ATOM 539 CB ALA A 123 19.029 19.240 -1.287 1.00 1.45 C ATOM 0 H ALA A 123 17.579 20.259 -2.897 1.00 1.09 H new ATOM 0 HA ALA A 123 20.459 20.398 -2.460 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.804 18.757 -0.692 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.632 20.096 -0.741 1.00 1.45 H new ATOM 0 HB3 ALA A 123 18.225 18.530 -1.482 1.00 1.45 H new ATOM 545 N THR A 124 19.308 17.880 -4.167 1.00 1.29 N ATOM 546 CA THR A 124 19.760 16.714 -4.979 1.00 1.47 C ATOM 547 C THR A 124 20.434 17.203 -6.266 1.00 1.44 C ATOM 548 O THR A 124 20.923 16.422 -7.058 1.00 1.72 O ATOM 549 CB THR A 124 18.476 15.934 -5.287 1.00 1.56 C ATOM 550 OG1 THR A 124 18.167 15.088 -4.188 1.00 2.16 O ATOM 551 CG2 THR A 124 18.663 15.083 -6.546 1.00 1.92 C ATOM 0 H THR A 124 18.318 18.111 -4.254 1.00 1.29 H new ATOM 0 HA THR A 124 20.492 16.095 -4.461 1.00 1.47 H new ATOM 0 HB THR A 124 17.662 16.639 -5.454 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.346 14.589 -4.380 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.744 14.534 -6.754 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.898 15.730 -7.391 1.00 1.92 H new ATOM 0 HG23 THR A 124 19.480 14.378 -6.391 1.00 1.92 H new ATOM 559 N GLY A 125 20.465 18.490 -6.479 1.00 1.26 N ATOM 560 CA GLY A 125 21.108 19.026 -7.712 1.00 1.32 C ATOM 561 C GLY A 125 20.140 18.896 -8.889 1.00 1.26 C ATOM 562 O GLY A 125 20.546 18.772 -10.028 1.00 1.63 O ATOM 0 H GLY A 125 20.073 19.193 -5.853 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.383 20.071 -7.567 1.00 1.32 H new ATOM 0 HA3 GLY A 125 22.028 18.480 -7.922 1.00 1.32 H new ATOM 566 N GLU A 126 18.863 18.920 -8.623 1.00 1.02 N ATOM 567 CA GLU A 126 17.870 18.793 -9.728 1.00 1.08 C ATOM 568 C GLU A 126 18.029 19.944 -10.723 1.00 0.89 C ATOM 569 O GLU A 126 17.442 20.997 -10.569 1.00 0.87 O ATOM 570 CB GLU A 126 16.503 18.863 -9.046 1.00 1.34 C ATOM 571 CG GLU A 126 16.331 20.229 -8.379 1.00 1.45 C ATOM 572 CD GLU A 126 15.288 21.045 -9.146 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.437 20.438 -9.777 1.00 2.09 O ATOM 574 OE2 GLU A 126 15.357 22.261 -9.089 1.00 2.16 O ATOM 0 H GLU A 126 18.464 19.022 -7.690 1.00 1.02 H new ATOM 0 HA GLU A 126 18.000 17.868 -10.290 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.712 18.702 -9.778 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.415 18.071 -8.303 1.00 1.34 H new ATOM 0 HG2 GLU A 126 16.019 20.102 -7.342 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.283 20.760 -8.362 1.00 1.45 H new ATOM 581 N THR A 127 18.811 19.751 -11.750 1.00 1.09 N ATOM 582 CA THR A 127 18.993 20.834 -12.756 1.00 1.21 C ATOM 583 C THR A 127 18.343 20.423 -14.078 1.00 1.29 C ATOM 584 O THR A 127 18.950 19.770 -14.904 1.00 1.60 O ATOM 585 CB THR A 127 20.507 20.976 -12.924 1.00 1.57 C ATOM 586 OG1 THR A 127 20.780 21.752 -14.082 1.00 1.91 O ATOM 587 CG2 THR A 127 21.140 19.592 -13.075 1.00 2.18 C ATOM 0 H THR A 127 19.330 18.893 -11.935 1.00 1.09 H new ATOM 0 HA THR A 127 18.533 21.772 -12.446 1.00 1.21 H new ATOM 0 HB THR A 127 20.926 21.469 -12.046 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.749 21.846 -14.192 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.218 19.696 -13.195 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.929 18.997 -12.187 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.724 19.095 -13.952 1.00 2.18 H new ATOM 595 N ILE A 128 17.112 20.797 -14.281 1.00 1.08 N ATOM 596 CA ILE A 128 16.422 20.427 -15.547 1.00 1.20 C ATOM 597 C ILE A 128 15.621 21.617 -16.080 1.00 1.18 C ATOM 598 O ILE A 128 15.448 22.612 -15.404 1.00 1.15 O ATOM 599 CB ILE A 128 15.495 19.274 -15.162 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.650 19.681 -13.951 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.331 18.043 -14.807 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.926 18.452 -13.396 1.00 2.03 C ATOM 0 H ILE A 128 16.553 21.343 -13.625 1.00 1.08 H new ATOM 0 HA ILE A 128 17.119 20.143 -16.336 1.00 1.20 H new ATOM 0 HB ILE A 128 14.840 19.040 -16.001 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.286 20.120 -13.182 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.926 20.443 -14.239 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.670 17.221 -14.532 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.934 17.752 -15.667 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.986 18.278 -13.968 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.325 18.742 -12.534 1.00 2.03 H new ATOM 0 HD12 ILE A 128 13.278 18.033 -14.166 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.659 17.704 -13.092 1.00 2.03 H new ATOM 614 N THR A 129 15.127 21.524 -17.284 1.00 1.34 N ATOM 615 CA THR A 129 14.333 22.651 -17.851 1.00 1.42 C ATOM 616 C THR A 129 13.036 22.828 -17.055 1.00 1.16 C ATOM 617 O THR A 129 12.428 21.871 -16.620 1.00 0.97 O ATOM 618 CB THR A 129 14.027 22.239 -19.292 1.00 1.64 C ATOM 619 OG1 THR A 129 13.459 23.340 -19.987 1.00 2.23 O ATOM 620 CG2 THR A 129 13.042 21.070 -19.291 1.00 2.28 C ATOM 0 H THR A 129 15.238 20.718 -17.899 1.00 1.34 H new ATOM 0 HA THR A 129 14.869 23.599 -17.807 1.00 1.42 H new ATOM 0 HB THR A 129 14.949 21.934 -19.787 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.264 23.078 -20.911 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.824 20.777 -20.318 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.479 20.226 -18.758 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.119 21.372 -18.797 1.00 2.28 H new ATOM 628 N GLU A 130 12.609 24.045 -16.859 1.00 1.31 N ATOM 629 CA GLU A 130 11.353 24.279 -16.088 1.00 1.28 C ATOM 630 C GLU A 130 10.225 23.389 -16.620 1.00 1.16 C ATOM 631 O GLU A 130 9.371 22.945 -15.880 1.00 1.21 O ATOM 632 CB GLU A 130 11.023 25.755 -16.310 1.00 1.69 C ATOM 633 CG GLU A 130 9.600 26.041 -15.826 1.00 2.05 C ATOM 634 CD GLU A 130 9.493 27.503 -15.389 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.628 28.367 -16.240 1.00 3.03 O ATOM 636 OE2 GLU A 130 9.278 27.735 -14.210 1.00 2.70 O ATOM 0 H GLU A 130 13.074 24.887 -17.198 1.00 1.31 H new ATOM 0 HA GLU A 130 11.469 24.040 -15.031 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.734 26.382 -15.772 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.115 26.004 -17.367 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.885 25.836 -16.623 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.348 25.383 -14.995 1.00 2.05 H new ATOM 643 N ASP A 131 10.214 23.128 -17.899 1.00 1.18 N ATOM 644 CA ASP A 131 9.138 22.269 -18.474 1.00 1.19 C ATOM 645 C ASP A 131 9.236 20.845 -17.918 1.00 1.07 C ATOM 646 O ASP A 131 8.351 20.034 -18.103 1.00 1.14 O ATOM 647 CB ASP A 131 9.392 22.271 -19.982 1.00 1.44 C ATOM 648 CG ASP A 131 8.281 21.493 -20.689 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.253 22.088 -20.968 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.477 20.315 -20.940 1.00 2.07 O ATOM 0 H ASP A 131 10.902 23.471 -18.570 1.00 1.18 H new ATOM 0 HA ASP A 131 8.143 22.638 -18.225 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.427 23.295 -20.354 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.360 21.820 -20.199 1.00 1.44 H new ATOM 655 N ASP A 132 10.309 20.534 -17.242 1.00 1.00 N ATOM 656 CA ASP A 132 10.463 19.161 -16.680 1.00 1.03 C ATOM 657 C ASP A 132 10.001 19.123 -15.220 1.00 0.88 C ATOM 658 O ASP A 132 9.860 18.069 -14.632 1.00 1.03 O ATOM 659 CB ASP A 132 11.960 18.861 -16.779 1.00 1.13 C ATOM 660 CG ASP A 132 12.273 18.280 -18.158 1.00 1.39 C ATOM 661 OD1 ASP A 132 11.350 18.135 -18.942 1.00 1.99 O ATOM 662 OD2 ASP A 132 13.432 17.989 -18.408 1.00 1.79 O ATOM 0 H ASP A 132 11.084 21.170 -17.055 1.00 1.00 H new ATOM 0 HA ASP A 132 9.861 18.427 -17.217 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.536 19.772 -16.617 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.253 18.156 -16.001 1.00 1.13 H new ATOM 667 N ILE A 133 9.765 20.263 -14.630 1.00 0.75 N ATOM 668 CA ILE A 133 9.314 20.286 -13.208 1.00 0.77 C ATOM 669 C ILE A 133 7.831 19.916 -13.113 1.00 0.70 C ATOM 670 O ILE A 133 7.379 19.373 -12.125 1.00 0.82 O ATOM 671 CB ILE A 133 9.539 21.725 -12.744 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.980 22.140 -13.047 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.290 21.819 -11.237 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.936 21.382 -12.123 1.00 1.00 C ATOM 0 H ILE A 133 9.864 21.178 -15.069 1.00 0.75 H new ATOM 0 HA ILE A 133 9.858 19.569 -12.593 1.00 0.77 H new ATOM 0 HB ILE A 133 8.851 22.387 -13.270 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.219 21.927 -14.089 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.097 23.215 -12.906 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.450 22.845 -10.905 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.264 21.523 -11.019 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.978 21.156 -10.712 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.962 21.678 -12.339 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.702 21.617 -11.085 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.826 20.310 -12.286 1.00 1.00 H new ATOM 686 N GLU A 134 7.069 20.207 -14.132 1.00 0.61 N ATOM 687 CA GLU A 134 5.616 19.871 -14.097 1.00 0.64 C ATOM 688 C GLU A 134 5.410 18.379 -14.376 1.00 0.64 C ATOM 689 O GLU A 134 4.320 17.858 -14.249 1.00 0.76 O ATOM 690 CB GLU A 134 4.988 20.718 -15.205 1.00 0.73 C ATOM 691 CG GLU A 134 4.705 22.125 -14.673 1.00 0.89 C ATOM 692 CD GLU A 134 3.206 22.282 -14.412 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.689 21.550 -13.584 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.601 23.131 -15.045 1.00 1.87 O ATOM 0 H GLU A 134 7.389 20.662 -14.987 1.00 0.61 H new ATOM 0 HA GLU A 134 5.168 20.075 -13.125 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.659 20.770 -16.062 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.064 20.256 -15.551 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.265 22.297 -13.753 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.039 22.871 -15.394 1.00 0.89 H new ATOM 701 N GLU A 135 6.449 17.689 -14.761 1.00 0.59 N ATOM 702 CA GLU A 135 6.315 16.232 -15.054 1.00 0.67 C ATOM 703 C GLU A 135 6.001 15.451 -13.775 1.00 0.74 C ATOM 704 O GLU A 135 5.504 14.343 -13.821 1.00 0.91 O ATOM 705 CB GLU A 135 7.676 15.815 -15.610 1.00 0.72 C ATOM 706 CG GLU A 135 7.601 15.730 -17.135 1.00 1.16 C ATOM 707 CD GLU A 135 8.918 15.176 -17.681 1.00 1.56 C ATOM 708 OE1 GLU A 135 9.803 14.914 -16.883 1.00 2.29 O ATOM 709 OE2 GLU A 135 9.018 15.023 -18.886 1.00 2.03 O ATOM 0 H GLU A 135 7.386 18.071 -14.886 1.00 0.59 H new ATOM 0 HA GLU A 135 5.504 16.030 -15.753 1.00 0.67 H new ATOM 0 HB2 GLU A 135 8.438 16.535 -15.313 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.970 14.851 -15.196 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.772 15.088 -17.434 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.407 16.717 -17.556 1.00 1.16 H new ATOM 716 N LEU A 136 6.290 16.013 -12.634 1.00 0.73 N ATOM 717 CA LEU A 136 6.009 15.291 -11.359 1.00 0.87 C ATOM 718 C LEU A 136 4.620 15.661 -10.830 1.00 0.81 C ATOM 719 O LEU A 136 3.788 14.806 -10.597 1.00 1.00 O ATOM 720 CB LEU A 136 7.096 15.760 -10.390 1.00 0.99 C ATOM 721 CG LEU A 136 8.442 15.168 -10.809 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.553 16.183 -10.538 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.709 13.892 -10.005 1.00 1.75 C ATOM 0 H LEU A 136 6.707 16.938 -12.528 1.00 0.73 H new ATOM 0 HA LEU A 136 6.017 14.209 -11.489 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.151 16.849 -10.387 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.851 15.450 -9.374 1.00 0.99 H new ATOM 0 HG LEU A 136 8.420 14.931 -11.873 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.512 15.761 -10.837 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.363 17.092 -11.109 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.577 16.421 -9.475 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.668 13.469 -10.302 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.732 14.130 -8.942 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.917 13.168 -10.198 1.00 1.75 H new ATOM 735 N MET A 137 4.365 16.926 -10.638 1.00 0.67 N ATOM 736 CA MET A 137 3.031 17.350 -10.122 1.00 0.71 C ATOM 737 C MET A 137 1.916 16.552 -10.803 1.00 0.68 C ATOM 738 O MET A 137 0.911 16.232 -10.198 1.00 0.70 O ATOM 739 CB MET A 137 2.922 18.833 -10.480 1.00 0.82 C ATOM 740 CG MET A 137 1.482 19.303 -10.269 1.00 0.99 C ATOM 741 SD MET A 137 1.455 21.104 -10.091 1.00 0.94 S ATOM 742 CE MET A 137 0.999 21.151 -8.340 1.00 0.53 C ATOM 0 H MET A 137 5.022 17.685 -10.816 1.00 0.67 H new ATOM 0 HA MET A 137 2.932 17.178 -9.050 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.602 19.419 -9.861 1.00 0.82 H new ATOM 0 HB3 MET A 137 3.219 18.991 -11.517 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.862 19.001 -11.113 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.061 18.833 -9.380 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.029 21.636 -8.229 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.942 20.134 -7.951 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.750 21.711 -7.783 1.00 0.53 H new ATOM 752 N LYS A 138 2.082 16.230 -12.056 1.00 0.76 N ATOM 753 CA LYS A 138 1.027 15.456 -12.772 1.00 0.82 C ATOM 754 C LYS A 138 0.520 14.305 -11.896 1.00 0.72 C ATOM 755 O LYS A 138 -0.638 13.942 -11.943 1.00 0.84 O ATOM 756 CB LYS A 138 1.714 14.920 -14.031 1.00 0.99 C ATOM 757 CG LYS A 138 2.615 13.738 -13.665 1.00 1.57 C ATOM 758 CD LYS A 138 3.320 13.226 -14.923 1.00 2.09 C ATOM 759 CE LYS A 138 2.488 12.110 -15.559 1.00 2.74 C ATOM 760 NZ LYS A 138 1.720 12.776 -16.648 1.00 3.43 N ATOM 0 H LYS A 138 2.901 16.469 -12.615 1.00 0.76 H new ATOM 0 HA LYS A 138 0.158 16.069 -13.013 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.966 14.607 -14.760 1.00 0.99 H new ATOM 0 HB3 LYS A 138 2.304 15.708 -14.498 1.00 0.99 H new ATOM 0 HG2 LYS A 138 3.351 14.044 -12.922 1.00 1.57 H new ATOM 0 HG3 LYS A 138 2.023 12.940 -13.217 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.456 14.042 -15.633 1.00 2.09 H new ATOM 0 HD3 LYS A 138 4.313 12.854 -14.670 1.00 2.09 H new ATOM 0 HE2 LYS A 138 3.125 11.318 -15.953 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.821 11.650 -14.830 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 0.717 12.509 -16.579 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.811 13.808 -16.556 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.095 12.476 -17.571 1.00 3.43 H new ATOM 774 N ASP A 139 1.377 13.728 -11.097 1.00 0.75 N ATOM 775 CA ASP A 139 0.938 12.601 -10.223 1.00 0.78 C ATOM 776 C ASP A 139 0.523 13.127 -8.845 1.00 0.70 C ATOM 777 O ASP A 139 -0.234 12.498 -8.133 1.00 0.81 O ATOM 778 CB ASP A 139 2.162 11.693 -10.102 1.00 0.97 C ATOM 779 CG ASP A 139 1.707 10.243 -9.937 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.522 10.034 -9.732 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.550 9.365 -10.017 1.00 1.66 O ATOM 0 H ASP A 139 2.360 13.987 -11.011 1.00 0.75 H new ATOM 0 HA ASP A 139 0.077 12.074 -10.633 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.789 11.790 -10.988 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.769 11.994 -9.248 1.00 0.97 H new ATOM 786 N GLY A 140 1.013 14.274 -8.465 1.00 0.64 N ATOM 787 CA GLY A 140 0.644 14.836 -7.134 1.00 0.62 C ATOM 788 C GLY A 140 -0.329 15.999 -7.324 1.00 0.57 C ATOM 789 O GLY A 140 -0.545 16.793 -6.431 1.00 0.65 O ATOM 0 H GLY A 140 1.652 14.846 -9.017 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.188 14.064 -6.515 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.537 15.177 -6.611 1.00 0.62 H new ATOM 793 N ASP A 141 -0.917 16.107 -8.484 1.00 0.56 N ATOM 794 CA ASP A 141 -1.876 17.221 -8.732 1.00 0.56 C ATOM 795 C ASP A 141 -2.370 17.177 -10.181 1.00 0.58 C ATOM 796 O ASP A 141 -2.098 18.062 -10.967 1.00 0.64 O ATOM 797 CB ASP A 141 -1.073 18.498 -8.477 1.00 0.60 C ATOM 798 CG ASP A 141 -1.889 19.451 -7.603 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.182 19.085 -6.477 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.207 20.530 -8.074 1.00 1.23 O ATOM 0 H ASP A 141 -0.775 15.473 -9.270 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.757 17.160 -8.093 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.131 18.255 -7.986 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -0.825 18.979 -9.423 1.00 0.60 H new ATOM 805 N LYS A 142 -3.092 16.151 -10.540 1.00 0.62 N ATOM 806 CA LYS A 142 -3.599 16.050 -11.939 1.00 0.70 C ATOM 807 C LYS A 142 -4.561 17.203 -12.238 1.00 0.79 C ATOM 808 O LYS A 142 -4.509 17.809 -13.290 1.00 0.92 O ATOM 809 CB LYS A 142 -4.332 14.709 -11.999 1.00 0.79 C ATOM 810 CG LYS A 142 -3.855 13.920 -13.220 1.00 0.88 C ATOM 811 CD LYS A 142 -4.886 14.043 -14.345 1.00 1.37 C ATOM 812 CE LYS A 142 -4.539 15.244 -15.228 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.847 15.727 -15.753 1.00 2.44 N ATOM 0 H LYS A 142 -3.353 15.379 -9.926 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.797 16.109 -12.674 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.145 14.139 -11.089 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.408 14.873 -12.057 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.889 14.298 -13.555 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.713 12.872 -12.956 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.899 13.131 -14.942 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.885 14.163 -13.925 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.032 16.021 -14.656 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.870 14.957 -16.039 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.691 16.551 -16.368 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -6.303 14.968 -16.299 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.461 15.999 -14.959 1.00 2.44 H new ATOM 827 N ASN A 143 -5.440 17.511 -11.323 1.00 0.80 N ATOM 828 CA ASN A 143 -6.403 18.624 -11.563 1.00 0.95 C ATOM 829 C ASN A 143 -5.663 19.970 -11.550 1.00 0.92 C ATOM 830 O ASN A 143 -6.145 20.960 -12.064 1.00 1.08 O ATOM 831 CB ASN A 143 -7.428 18.513 -10.416 1.00 1.07 C ATOM 832 CG ASN A 143 -7.164 19.567 -9.332 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.872 20.550 -9.244 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.171 19.403 -8.501 1.00 1.70 N ATOM 0 H ASN A 143 -5.533 17.042 -10.422 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.895 18.562 -12.534 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.436 18.639 -10.812 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.380 17.516 -9.977 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -5.990 20.100 -7.779 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -5.576 18.578 -8.574 1.00 1.70 H new ATOM 841 N ASN A 144 -4.497 20.009 -10.965 1.00 0.86 N ATOM 842 CA ASN A 144 -3.726 21.285 -10.917 1.00 0.93 C ATOM 843 C ASN A 144 -4.612 22.420 -10.396 1.00 1.03 C ATOM 844 O ASN A 144 -4.838 23.404 -11.073 1.00 1.71 O ATOM 845 CB ASN A 144 -3.307 21.552 -12.363 1.00 1.08 C ATOM 846 CG ASN A 144 -1.788 21.417 -12.488 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.259 20.324 -12.456 1.00 2.18 O ATOM 848 ND2 ASN A 144 -1.059 22.491 -12.630 1.00 1.97 N ATOM 0 H ASN A 144 -4.044 19.212 -10.518 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.866 21.222 -10.250 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.802 20.848 -13.032 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.620 22.552 -12.665 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -0.046 22.412 -12.714 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.503 23.409 -12.657 1.00 1.97 H new ATOM 855 N ASP A 145 -5.113 22.293 -9.198 1.00 0.88 N ATOM 856 CA ASP A 145 -5.981 23.366 -8.635 1.00 0.92 C ATOM 857 C ASP A 145 -5.128 24.561 -8.198 1.00 0.91 C ATOM 858 O ASP A 145 -5.635 25.555 -7.717 1.00 1.07 O ATOM 859 CB ASP A 145 -6.670 22.727 -7.428 1.00 0.93 C ATOM 860 CG ASP A 145 -5.615 22.263 -6.423 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.443 22.313 -6.759 1.00 1.89 O ATOM 862 OD2 ASP A 145 -5.997 21.864 -5.336 1.00 2.06 O ATOM 0 H ASP A 145 -4.959 21.493 -8.585 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.701 23.740 -9.363 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.343 23.444 -6.959 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.278 21.881 -7.749 1.00 0.93 H new ATOM 867 N GLY A 146 -3.836 24.473 -8.365 1.00 0.84 N ATOM 868 CA GLY A 146 -2.953 25.605 -7.961 1.00 0.92 C ATOM 869 C GLY A 146 -2.157 25.219 -6.713 1.00 0.66 C ATOM 870 O GLY A 146 -1.291 25.946 -6.269 1.00 0.74 O ATOM 0 H GLY A 146 -3.354 23.667 -8.763 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.273 25.856 -8.775 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.553 26.493 -7.761 1.00 0.92 H new ATOM 874 N ARG A 147 -2.442 24.080 -6.143 1.00 0.56 N ATOM 875 CA ARG A 147 -1.698 23.650 -4.922 1.00 0.54 C ATOM 876 C ARG A 147 -1.891 22.149 -4.689 1.00 0.46 C ATOM 877 O ARG A 147 -2.858 21.561 -5.132 1.00 0.45 O ATOM 878 CB ARG A 147 -2.307 24.457 -3.769 1.00 0.77 C ATOM 879 CG ARG A 147 -3.825 24.553 -3.942 1.00 1.39 C ATOM 880 CD ARG A 147 -4.464 25.004 -2.626 1.00 1.79 C ATOM 881 NE ARG A 147 -5.619 24.085 -2.423 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.332 24.159 -1.331 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.040 25.040 -0.412 1.00 3.10 N ATOM 884 NH2 ARG A 147 -7.340 23.348 -1.157 1.00 3.37 N ATOM 0 H ARG A 147 -3.156 23.429 -6.468 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.626 23.824 -5.013 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.071 23.982 -2.817 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -1.872 25.456 -3.744 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.067 25.259 -4.736 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.229 23.586 -4.242 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.756 24.936 -1.800 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.791 26.042 -2.681 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.853 23.397 -3.138 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.252 25.674 -0.545 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.600 25.094 0.439 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -7.569 22.659 -1.873 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -7.898 23.404 -0.305 1.00 3.37 H new ATOM 898 N ILE A 148 -0.979 21.523 -3.997 1.00 0.49 N ATOM 899 CA ILE A 148 -1.112 20.060 -3.738 1.00 0.44 C ATOM 900 C ILE A 148 -1.577 19.820 -2.300 1.00 0.46 C ATOM 901 O ILE A 148 -1.180 20.514 -1.385 1.00 0.63 O ATOM 902 CB ILE A 148 0.290 19.492 -3.955 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.714 19.728 -5.406 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.285 17.990 -3.667 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.037 19.009 -5.674 1.00 0.63 C ATOM 0 H ILE A 148 -0.148 21.960 -3.600 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.846 19.587 -4.390 1.00 0.44 H new ATOM 0 HB ILE A 148 0.990 19.988 -3.283 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.056 19.361 -6.085 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.823 20.796 -5.595 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.286 17.586 -3.822 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.019 17.819 -2.634 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.415 17.493 -4.339 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.339 19.177 -6.708 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.804 19.397 -5.004 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.912 17.940 -5.502 1.00 0.63 H new ATOM 917 N ASP A 149 -2.420 18.845 -2.094 1.00 0.48 N ATOM 918 CA ASP A 149 -2.915 18.566 -0.715 1.00 0.53 C ATOM 919 C ASP A 149 -2.547 17.140 -0.294 1.00 0.53 C ATOM 920 O ASP A 149 -2.126 16.332 -1.098 1.00 0.63 O ATOM 921 CB ASP A 149 -4.432 18.727 -0.805 1.00 0.58 C ATOM 922 CG ASP A 149 -4.962 17.914 -1.988 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.220 17.091 -2.497 1.00 1.65 O ATOM 924 OD2 ASP A 149 -6.102 18.131 -2.366 1.00 1.84 O ATOM 0 H ASP A 149 -2.787 18.230 -2.820 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.475 19.234 0.026 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.900 18.390 0.120 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.690 19.779 -0.928 1.00 0.58 H new ATOM 929 N TYR A 150 -2.702 16.826 0.964 1.00 0.58 N ATOM 930 CA TYR A 150 -2.361 15.454 1.443 1.00 0.60 C ATOM 931 C TYR A 150 -3.265 14.415 0.772 1.00 0.59 C ATOM 932 O TYR A 150 -2.892 13.271 0.603 1.00 0.63 O ATOM 933 CB TYR A 150 -2.614 15.490 2.951 1.00 0.73 C ATOM 934 CG TYR A 150 -2.396 14.114 3.534 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.109 13.564 3.569 1.00 1.22 C ATOM 936 CD2 TYR A 150 -3.481 13.388 4.039 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.907 12.288 4.109 1.00 1.56 C ATOM 938 CE2 TYR A 150 -3.280 12.112 4.579 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.993 11.562 4.614 1.00 1.48 C ATOM 940 OH TYR A 150 -1.794 10.305 5.146 1.00 1.96 O ATOM 0 H TYR A 150 -3.051 17.461 1.682 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.334 15.178 1.206 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.944 16.207 3.425 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.632 15.824 3.151 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.272 14.124 3.179 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -4.474 13.812 4.012 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.086 11.864 4.136 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -4.117 11.552 4.968 1.00 1.43 H new ATOM 0 HH TYR A 150 -2.650 9.940 5.452 1.00 1.96 H new ATOM 950 N ASP A 151 -4.451 14.802 0.391 1.00 0.64 N ATOM 951 CA ASP A 151 -5.377 13.834 -0.265 1.00 0.70 C ATOM 952 C ASP A 151 -4.764 13.304 -1.564 1.00 0.63 C ATOM 953 O ASP A 151 -4.874 12.136 -1.881 1.00 0.77 O ATOM 954 CB ASP A 151 -6.644 14.637 -0.562 1.00 0.79 C ATOM 955 CG ASP A 151 -7.852 13.929 0.054 1.00 1.24 C ATOM 956 OD1 ASP A 151 -8.104 14.144 1.228 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.504 13.185 -0.659 1.00 1.90 O ATOM 0 H ASP A 151 -4.820 15.746 0.505 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.578 12.968 0.366 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.553 15.644 -0.155 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.779 14.739 -1.639 1.00 0.79 H new ATOM 962 N GLU A 152 -4.124 14.153 -2.320 1.00 0.54 N ATOM 963 CA GLU A 152 -3.509 13.696 -3.600 1.00 0.56 C ATOM 964 C GLU A 152 -2.097 13.157 -3.352 1.00 0.52 C ATOM 965 O GLU A 152 -1.628 12.276 -4.045 1.00 0.65 O ATOM 966 CB GLU A 152 -3.460 14.945 -4.479 1.00 0.60 C ATOM 967 CG GLU A 152 -4.875 15.501 -4.653 1.00 0.77 C ATOM 968 CD GLU A 152 -4.816 16.820 -5.424 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.755 17.422 -5.448 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.832 17.205 -5.979 1.00 1.40 O ATOM 0 H GLU A 152 -4.000 15.143 -2.108 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.075 12.889 -4.065 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.815 15.697 -4.025 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.031 14.702 -5.451 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.496 14.783 -5.188 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.337 15.658 -3.679 1.00 0.77 H new ATOM 977 N PHE A 153 -1.417 13.678 -2.368 1.00 0.46 N ATOM 978 CA PHE A 153 -0.037 13.195 -2.077 1.00 0.46 C ATOM 979 C PHE A 153 0.018 11.667 -2.160 1.00 0.50 C ATOM 980 O PHE A 153 1.042 11.088 -2.467 1.00 0.64 O ATOM 981 CB PHE A 153 0.253 13.664 -0.652 1.00 0.49 C ATOM 982 CG PHE A 153 1.745 13.712 -0.433 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.477 14.829 -0.850 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.396 12.639 0.187 1.00 0.52 C ATOM 985 CE1 PHE A 153 3.861 14.874 -0.649 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.781 12.683 0.388 1.00 0.61 C ATOM 987 CZ PHE A 153 4.513 13.801 -0.030 1.00 0.68 C ATOM 0 H PHE A 153 -1.757 14.417 -1.753 1.00 0.46 H new ATOM 0 HA PHE A 153 0.693 13.578 -2.790 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.182 14.650 -0.486 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.209 12.987 0.066 1.00 0.49 H new ATOM 0 HD1 PHE A 153 1.974 15.657 -1.327 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.830 11.778 0.510 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.426 15.736 -0.971 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.284 11.855 0.865 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.581 13.836 0.125 1.00 0.68 H new ATOM 997 N LEU A 154 -1.076 11.011 -1.886 1.00 0.53 N ATOM 998 CA LEU A 154 -1.090 9.521 -1.944 1.00 0.62 C ATOM 999 C LEU A 154 -1.126 9.044 -3.399 1.00 0.65 C ATOM 1000 O LEU A 154 -0.452 8.104 -3.770 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.370 9.113 -1.214 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.104 9.051 0.291 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.099 7.937 0.588 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.534 10.391 0.764 1.00 1.20 C ATOM 0 H LEU A 154 -1.962 11.443 -1.624 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.201 9.082 -1.491 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.165 9.829 -1.424 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.712 8.143 -1.573 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.037 8.847 0.816 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.910 7.894 1.661 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.504 6.982 0.252 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.165 8.140 0.063 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.344 10.347 1.836 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.601 10.595 0.238 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.250 11.185 0.554 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.908 9.682 -4.227 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.985 9.259 -5.655 1.00 0.81 C ATOM 1018 C GLU A 155 -0.633 9.461 -6.343 1.00 0.76 C ATOM 1019 O GLU A 155 -0.408 8.992 -7.441 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.045 10.165 -6.283 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.673 9.456 -7.485 1.00 1.41 C ATOM 1022 CD GLU A 155 -5.084 9.997 -7.720 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -5.340 11.122 -7.325 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -5.885 9.276 -8.293 1.00 2.77 O ATOM 0 H GLU A 155 -2.496 10.477 -3.977 1.00 0.69 H new ATOM 0 HA GLU A 155 -2.238 8.204 -5.757 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.813 10.408 -5.548 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.595 11.107 -6.597 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.060 9.612 -8.373 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.710 8.381 -7.308 1.00 1.41 H new ATOM 1031 N PHE A 156 0.270 10.157 -5.708 1.00 0.66 N ATOM 1032 CA PHE A 156 1.605 10.389 -6.330 1.00 0.77 C ATOM 1033 C PHE A 156 2.603 9.327 -5.863 1.00 0.71 C ATOM 1034 O PHE A 156 3.256 8.681 -6.659 1.00 0.88 O ATOM 1035 CB PHE A 156 2.033 11.774 -5.843 1.00 0.84 C ATOM 1036 CG PHE A 156 3.507 11.969 -6.112 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.088 11.414 -7.259 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.291 12.703 -5.215 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.454 11.594 -7.508 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.657 12.883 -5.464 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.238 12.328 -6.610 1.00 1.53 C ATOM 0 H PHE A 156 0.142 10.575 -4.786 1.00 0.66 H new ATOM 0 HA PHE A 156 1.567 10.330 -7.418 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.454 12.545 -6.352 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.830 11.875 -4.777 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.483 10.847 -7.951 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.842 13.131 -4.331 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.903 11.167 -8.393 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.262 13.450 -4.772 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.292 12.466 -6.802 1.00 1.53 H new ATOM 1051 N MET A 157 2.733 9.146 -4.577 1.00 0.61 N ATOM 1052 CA MET A 157 3.695 8.130 -4.062 1.00 0.69 C ATOM 1053 C MET A 157 3.175 6.715 -4.330 1.00 0.83 C ATOM 1054 O MET A 157 3.865 5.739 -4.113 1.00 1.17 O ATOM 1055 CB MET A 157 3.783 8.394 -2.558 1.00 0.84 C ATOM 1056 CG MET A 157 4.059 9.879 -2.310 1.00 0.92 C ATOM 1057 SD MET A 157 5.458 10.415 -3.326 1.00 1.56 S ATOM 1058 CE MET A 157 6.748 10.166 -2.083 1.00 0.90 C ATOM 0 H MET A 157 2.216 9.657 -3.862 1.00 0.61 H new ATOM 0 HA MET A 157 4.668 8.204 -4.548 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.852 8.101 -2.073 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.576 7.789 -2.119 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.175 10.469 -2.551 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.277 10.048 -1.255 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.727 10.285 -2.546 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.632 10.900 -1.286 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.663 9.162 -1.667 1.00 0.90 H new ATOM 1068 N LYS A 158 1.964 6.595 -4.801 1.00 0.86 N ATOM 1069 CA LYS A 158 1.406 5.241 -5.081 1.00 1.07 C ATOM 1070 C LYS A 158 2.417 4.403 -5.869 1.00 1.36 C ATOM 1071 O LYS A 158 2.392 3.189 -5.833 1.00 1.73 O ATOM 1072 CB LYS A 158 0.150 5.493 -5.917 1.00 1.28 C ATOM 1073 CG LYS A 158 0.553 5.964 -7.315 1.00 1.66 C ATOM 1074 CD LYS A 158 0.402 4.808 -8.306 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.831 5.042 -9.182 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.733 3.893 -8.891 1.00 3.52 N ATOM 0 H LYS A 158 1.338 7.374 -5.004 1.00 0.86 H new ATOM 0 HA LYS A 158 1.183 4.691 -4.167 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.443 4.581 -5.986 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.476 6.244 -5.435 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.071 6.804 -7.621 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.584 6.319 -7.308 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.293 4.730 -8.928 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.305 3.865 -7.768 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.311 5.991 -8.943 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.564 5.077 -10.238 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.602 3.982 -9.455 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.252 3.004 -9.135 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.976 3.890 -7.880 1.00 3.52 H new