USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 THR OG1 : rot -89:sc= -0.0641 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.115 K(o=-0.18,f=-1.2) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 140 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.9) USER MOD Single : A 144 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.77) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.091 X(o=-0.091,f=-0.091) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot -150:sc= -0.753 USER MOD Single : A 152 SER OG : rot -97:sc= 1.27 USER MOD Single : A 154 MET CE :methyl -160:sc= -1.1 (180deg=-2.36!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.0467 (180deg=-0.0467) USER MOD Single : A 156 LYS NZ :NH3+ 142:sc= -0.0122 (180deg=-0.492) USER MOD Single : A 159 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.33) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 60:sc= -1.7 USER MOD Single : A 168 LYS NZ :NH3+ -112:sc= -0.897 (180deg=-1.39) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.0344 K(o=-0.034,f=-0.65) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 THR OG1 : rot -46:sc= 1.21 USER MOD Single : A 185 MET CE :methyl -153:sc= -2.09 (180deg=-2.85!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl -104:sc= -5.71! (180deg=-10.1!) USER MOD Single : A 190 THR OG1 : rot 42:sc= 1.02 USER MOD Single : A 192 MET CE :methyl 136:sc= -5.88! (180deg=-12.2!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.158 -1.095 -4.836 1.00 0.00 N ATOM 92 CA THR A 133 62.120 -0.732 -5.806 1.00 0.00 C ATOM 93 C THR A 133 61.388 -1.956 -6.333 1.00 0.00 C ATOM 94 O THR A 133 60.172 -1.937 -6.455 1.00 0.00 O ATOM 95 CB THR A 133 62.751 0.027 -6.984 1.00 0.00 C ATOM 96 OG1 THR A 133 63.534 -0.871 -7.757 1.00 0.00 O ATOM 97 CG2 THR A 133 63.642 1.168 -6.473 1.00 0.00 C ATOM 0 HA THR A 133 61.397 -0.098 -5.293 1.00 0.00 H new ATOM 0 HB THR A 133 61.955 0.450 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.448 -0.894 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.081 1.695 -7.321 1.00 0.00 H new ATOM 0 HG22 THR A 133 63.042 1.863 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.437 0.758 -5.850 1.00 0.00 H new ATOM 105 N GLN A 134 62.126 -3.032 -6.590 1.00 0.00 N ATOM 106 CA GLN A 134 61.543 -4.221 -7.219 1.00 0.00 C ATOM 107 C GLN A 134 60.315 -4.723 -6.450 1.00 0.00 C ATOM 108 O GLN A 134 59.285 -5.026 -7.055 1.00 0.00 O ATOM 109 CB GLN A 134 62.588 -5.332 -7.301 1.00 0.00 C ATOM 110 CG GLN A 134 63.683 -4.931 -8.293 1.00 0.00 C ATOM 111 CD GLN A 134 64.776 -5.995 -8.325 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.072 -6.617 -7.304 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.399 -6.244 -9.445 1.00 0.00 N ATOM 0 H GLN A 134 63.120 -3.109 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 134 61.221 -3.942 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 134 63.022 -5.511 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.119 -6.264 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.256 -4.807 -9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.109 -3.969 -8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.154 -5.729 -10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.131 -6.954 -9.475 1.00 0.00 H new ATOM 122 N LEU A 135 60.401 -4.735 -5.121 1.00 0.00 N ATOM 123 CA LEU A 135 59.318 -5.280 -4.302 1.00 0.00 C ATOM 124 C LEU A 135 58.006 -4.524 -4.516 1.00 0.00 C ATOM 125 O LEU A 135 56.989 -5.128 -4.865 1.00 0.00 O ATOM 126 CB LEU A 135 59.701 -5.189 -2.829 1.00 0.00 C ATOM 127 CG LEU A 135 60.764 -6.233 -2.505 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.311 -5.966 -1.106 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.134 -7.626 -2.552 1.00 0.00 C ATOM 0 H LEU A 135 61.198 -4.379 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 135 59.169 -6.318 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 135 60.077 -4.191 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.821 -5.347 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 135 61.574 -6.178 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.072 -6.708 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.752 -4.970 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.500 -6.029 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.891 -8.376 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.329 -7.686 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.733 -7.811 -3.549 1.00 0.00 H new ATOM 141 N PHE A 136 58.032 -3.206 -4.312 1.00 0.00 N ATOM 142 CA PHE A 136 56.866 -2.375 -4.624 1.00 0.00 C ATOM 143 C PHE A 136 56.694 -2.047 -6.106 1.00 0.00 C ATOM 144 O PHE A 136 55.562 -1.899 -6.568 1.00 0.00 O ATOM 145 CB PHE A 136 56.727 -1.149 -3.710 1.00 0.00 C ATOM 146 CG PHE A 136 57.990 -0.573 -3.134 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.943 0.098 -3.930 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.177 -0.680 -1.741 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.094 0.658 -3.315 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.322 -0.126 -1.132 1.00 0.00 C ATOM 151 CZ PHE A 136 60.282 0.545 -1.919 1.00 0.00 C ATOM 0 H PHE A 136 58.833 -2.697 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 136 56.015 -3.015 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.224 -0.363 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.071 -1.418 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.798 0.185 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.440 -1.189 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.829 1.172 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.464 -0.215 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.159 0.972 -1.455 1.00 0.00 H new ATOM 161 N ALA A 137 57.781 -2.018 -6.870 1.00 0.00 N ATOM 162 CA ALA A 137 57.673 -1.765 -8.317 1.00 0.00 C ATOM 163 C ALA A 137 56.748 -2.800 -8.975 1.00 0.00 C ATOM 164 O ALA A 137 56.164 -2.543 -10.028 1.00 0.00 O ATOM 165 CB ALA A 137 59.052 -1.814 -8.977 1.00 0.00 C ATOM 0 H ALA A 137 58.731 -2.162 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 137 57.250 -0.770 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.951 -1.625 -10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.695 -1.054 -8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.494 -2.798 -8.823 1.00 0.00 H new ATOM 171 N ASP A 138 56.624 -3.969 -8.339 1.00 0.00 N ATOM 172 CA ASP A 138 55.580 -4.942 -8.681 1.00 0.00 C ATOM 173 C ASP A 138 54.191 -4.281 -8.661 1.00 0.00 C ATOM 174 O ASP A 138 53.935 -3.406 -7.830 1.00 0.00 O ATOM 175 CB ASP A 138 55.621 -6.087 -7.652 1.00 0.00 C ATOM 176 CG ASP A 138 54.762 -7.283 -8.080 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.017 -7.158 -9.034 1.00 0.00 O ATOM 178 OD2 ASP A 138 54.869 -8.312 -7.437 1.00 0.00 O ATOM 0 H ASP A 138 57.237 -4.266 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 138 55.761 -5.326 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.652 -6.413 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.272 -5.719 -6.687 1.00 0.00 H new ATOM 183 N PRO A 139 53.301 -4.668 -9.552 1.00 0.00 N ATOM 184 CA PRO A 139 51.845 -4.358 -9.390 1.00 0.00 C ATOM 185 C PRO A 139 51.257 -5.048 -8.164 1.00 0.00 C ATOM 186 O PRO A 139 51.853 -5.984 -7.629 1.00 0.00 O ATOM 187 CB PRO A 139 51.188 -4.871 -10.682 1.00 0.00 C ATOM 188 CG PRO A 139 52.209 -5.734 -11.338 1.00 0.00 C ATOM 189 CD PRO A 139 53.564 -5.186 -10.906 1.00 0.00 C ATOM 0 HA PRO A 139 51.674 -3.293 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.281 -5.435 -10.463 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.900 -4.043 -11.330 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.094 -6.774 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 139 52.105 -5.706 -12.423 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.329 -5.963 -10.899 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.913 -4.401 -11.577 1.00 0.00 H new ATOM 197 N ASN A 140 50.050 -4.618 -7.779 1.00 0.00 N ATOM 198 CA ASN A 140 49.474 -4.858 -6.435 1.00 0.00 C ATOM 199 C ASN A 140 50.446 -5.458 -5.407 1.00 0.00 C ATOM 200 O ASN A 140 50.434 -6.668 -5.165 1.00 0.00 O ATOM 201 CB ASN A 140 48.261 -5.793 -6.568 1.00 0.00 C ATOM 202 CG ASN A 140 47.279 -5.262 -7.611 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.177 -4.052 -7.813 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.566 -6.104 -8.306 1.00 0.00 N ATOM 0 H ASN A 140 49.432 -4.087 -8.393 1.00 0.00 H new ATOM 0 HA ASN A 140 49.201 -3.874 -6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.595 -6.791 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.760 -5.886 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.922 -5.760 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.652 -7.106 -8.137 1.00 0.00 H new ATOM 211 N LEU A 141 51.306 -4.623 -4.824 1.00 0.00 N ATOM 212 CA LEU A 141 51.899 -4.966 -3.531 1.00 0.00 C ATOM 213 C LEU A 141 51.331 -4.075 -2.412 1.00 0.00 C ATOM 214 O LEU A 141 51.384 -4.446 -1.240 1.00 0.00 O ATOM 215 CB LEU A 141 53.425 -4.797 -3.600 1.00 0.00 C ATOM 216 CG LEU A 141 54.074 -5.292 -2.299 1.00 0.00 C ATOM 217 CD1 LEU A 141 53.969 -6.818 -2.206 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.543 -4.881 -2.269 1.00 0.00 C ATOM 0 H LEU A 141 51.602 -3.728 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 141 51.653 -6.004 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.822 -5.355 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.675 -3.749 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 141 53.553 -4.846 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.432 -7.159 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 141 52.919 -7.112 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.481 -7.270 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.001 -5.234 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.061 -5.321 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.618 -3.795 -2.320 1.00 0.00 H new ATOM 230 N ILE A 142 50.664 -2.974 -2.782 1.00 0.00 N ATOM 231 CA ILE A 142 50.111 -2.068 -1.779 1.00 0.00 C ATOM 232 C ILE A 142 48.986 -2.741 -0.987 1.00 0.00 C ATOM 233 O ILE A 142 48.806 -2.441 0.191 1.00 0.00 O ATOM 234 CB ILE A 142 49.653 -0.739 -2.435 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.887 0.163 -2.656 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.650 0.005 -1.529 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.490 1.418 -3.449 1.00 0.00 C ATOM 0 H ILE A 142 50.499 -2.697 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 142 50.896 -1.823 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 142 49.167 -0.968 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.313 0.451 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.658 -0.388 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.344 0.934 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.775 -0.623 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.122 0.231 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.368 2.047 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.085 1.124 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.735 1.975 -2.894 1.00 0.00 H new ATOM 249 N GLU A 143 48.259 -3.679 -1.600 1.00 0.00 N ATOM 250 CA GLU A 143 47.092 -4.266 -0.929 1.00 0.00 C ATOM 251 C GLU A 143 47.510 -5.052 0.314 1.00 0.00 C ATOM 252 O GLU A 143 47.022 -4.801 1.416 1.00 0.00 O ATOM 253 CB GLU A 143 46.375 -5.213 -1.892 1.00 0.00 C ATOM 254 CG GLU A 143 45.725 -4.403 -3.012 1.00 0.00 C ATOM 255 CD GLU A 143 44.950 -5.327 -3.944 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.585 -6.021 -4.721 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.732 -5.328 -3.867 1.00 0.00 O ATOM 0 H GLU A 143 48.449 -4.042 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 143 46.430 -3.455 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.083 -5.929 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.618 -5.788 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.055 -3.655 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.489 -3.865 -3.573 1.00 0.00 H new ATOM 264 N ASN A 144 48.510 -5.915 0.156 1.00 0.00 N ATOM 265 CA ASN A 144 49.112 -6.608 1.299 1.00 0.00 C ATOM 266 C ASN A 144 49.611 -5.596 2.333 1.00 0.00 C ATOM 267 O ASN A 144 49.476 -5.793 3.540 1.00 0.00 O ATOM 268 CB ASN A 144 50.287 -7.460 0.809 1.00 0.00 C ATOM 269 CG ASN A 144 49.825 -8.437 -0.272 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.675 -8.876 -0.265 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.645 -8.764 -1.234 1.00 0.00 N ATOM 0 H ASN A 144 48.921 -6.153 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 144 48.360 -7.244 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.072 -6.815 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.718 -8.011 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.333 -9.384 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.598 -8.399 -1.238 1.00 0.00 H new ATOM 278 N LEU A 145 50.188 -4.516 1.824 1.00 0.00 N ATOM 279 CA LEU A 145 50.656 -3.417 2.661 1.00 0.00 C ATOM 280 C LEU A 145 49.506 -2.724 3.397 1.00 0.00 C ATOM 281 O LEU A 145 49.736 -2.036 4.388 1.00 0.00 O ATOM 282 CB LEU A 145 51.460 -2.423 1.818 1.00 0.00 C ATOM 283 CG LEU A 145 52.656 -3.159 1.200 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.334 -2.265 0.159 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.660 -3.524 2.300 1.00 0.00 C ATOM 0 H LEU A 145 50.345 -4.376 0.826 1.00 0.00 H new ATOM 0 HA LEU A 145 51.309 -3.832 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.833 -1.997 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.805 -1.594 2.437 1.00 0.00 H new ATOM 0 HG LEU A 145 52.305 -4.070 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.183 -2.793 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.620 -2.015 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.683 -1.350 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.509 -4.047 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 145 54.009 -2.615 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.177 -4.170 3.033 1.00 0.00 H new ATOM 297 N LYS A 146 48.292 -2.789 2.845 1.00 0.00 N ATOM 298 CA LYS A 146 47.124 -2.240 3.541 1.00 0.00 C ATOM 299 C LYS A 146 46.892 -2.955 4.880 1.00 0.00 C ATOM 300 O LYS A 146 46.702 -2.310 5.912 1.00 0.00 O ATOM 301 CB LYS A 146 45.857 -2.380 2.690 1.00 0.00 C ATOM 302 CG LYS A 146 45.994 -1.555 1.409 1.00 0.00 C ATOM 303 CD LYS A 146 44.642 -1.499 0.692 1.00 0.00 C ATOM 304 CE LYS A 146 43.696 -0.572 1.459 1.00 0.00 C ATOM 305 NZ LYS A 146 42.531 -0.228 0.596 1.00 0.00 N ATOM 0 H LYS A 146 48.093 -3.207 1.936 1.00 0.00 H new ATOM 0 HA LYS A 146 47.329 -1.185 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.690 -3.428 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.989 -2.045 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.334 -0.547 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.746 -1.999 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.774 -1.138 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.213 -2.499 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.354 -1.058 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.221 0.335 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.888 0.402 1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.866 0.252 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.026 -1.098 0.332 1.00 0.00 H new ATOM 319 N LYS A 147 46.871 -4.291 4.845 1.00 0.00 N ATOM 320 CA LYS A 147 46.322 -5.051 5.977 1.00 0.00 C ATOM 321 C LYS A 147 47.313 -5.289 7.136 1.00 0.00 C ATOM 322 O LYS A 147 46.942 -5.092 8.294 1.00 0.00 O ATOM 323 CB LYS A 147 45.814 -6.402 5.475 1.00 0.00 C ATOM 324 CG LYS A 147 44.665 -6.181 4.488 1.00 0.00 C ATOM 325 CD LYS A 147 44.013 -7.524 4.148 1.00 0.00 C ATOM 326 CE LYS A 147 44.958 -8.346 3.270 1.00 0.00 C ATOM 327 NZ LYS A 147 44.171 -9.347 2.495 1.00 0.00 N ATOM 0 H LYS A 147 47.216 -4.857 4.070 1.00 0.00 H new ATOM 0 HA LYS A 147 45.519 -4.438 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.623 -6.950 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.475 -7.010 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.926 -5.506 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 147 45.038 -5.707 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.783 -8.070 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.069 -7.360 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 147 45.503 -7.691 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 147 45.700 -8.851 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 44.813 -9.906 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 43.671 -9.979 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 43.480 -8.855 1.894 1.00 0.00 H new ATOM 341 N ASN A 148 48.559 -5.699 6.845 1.00 0.00 N ATOM 342 CA ASN A 148 49.425 -6.192 7.938 1.00 0.00 C ATOM 343 C ASN A 148 50.481 -5.187 8.446 1.00 0.00 C ATOM 344 O ASN A 148 50.992 -5.366 9.555 1.00 0.00 O ATOM 345 CB ASN A 148 50.149 -7.453 7.445 1.00 0.00 C ATOM 346 CG ASN A 148 50.880 -8.141 8.597 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.269 -8.875 9.374 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.163 -7.946 8.750 1.00 0.00 N ATOM 0 H ASN A 148 48.977 -5.703 5.914 1.00 0.00 H new ATOM 0 HA ASN A 148 48.765 -6.381 8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.430 -8.141 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.860 -7.188 6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.661 -8.402 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.667 -7.337 8.105 1.00 0.00 H new ATOM 355 N PRO A 149 50.824 -4.161 7.704 1.00 0.00 N ATOM 356 CA PRO A 149 51.830 -3.171 8.176 1.00 0.00 C ATOM 357 C PRO A 149 51.225 -1.817 8.536 1.00 0.00 C ATOM 358 O PRO A 149 50.259 -1.370 7.916 1.00 0.00 O ATOM 359 CB PRO A 149 52.774 -3.046 6.985 1.00 0.00 C ATOM 360 CG PRO A 149 51.931 -3.312 5.780 1.00 0.00 C ATOM 361 CD PRO A 149 50.649 -4.019 6.253 1.00 0.00 C ATOM 0 HA PRO A 149 52.314 -3.496 9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.221 -2.053 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.594 -3.761 7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.688 -2.380 5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.470 -3.935 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.761 -3.433 6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.529 -4.989 5.770 1.00 0.00 H new ATOM 369 N LYS A 150 51.855 -1.137 9.498 1.00 0.00 N ATOM 370 CA LYS A 150 51.460 0.233 9.859 1.00 0.00 C ATOM 371 C LYS A 150 51.563 1.173 8.647 1.00 0.00 C ATOM 372 O LYS A 150 50.930 2.228 8.616 1.00 0.00 O ATOM 373 CB LYS A 150 52.356 0.776 10.982 1.00 0.00 C ATOM 374 CG LYS A 150 52.459 -0.240 12.125 1.00 0.00 C ATOM 375 CD LYS A 150 53.140 0.414 13.329 1.00 0.00 C ATOM 376 CE LYS A 150 53.360 -0.633 14.422 1.00 0.00 C ATOM 377 NZ LYS A 150 54.368 -0.129 15.397 1.00 0.00 N ATOM 0 H LYS A 150 52.636 -1.507 10.039 1.00 0.00 H new ATOM 0 HA LYS A 150 50.425 0.195 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.350 0.993 10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.950 1.715 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.466 -0.593 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 150 53.028 -1.112 11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.094 0.848 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.525 1.229 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 150 52.420 -0.845 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 150 53.702 -1.569 13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 54.518 -0.841 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 55.266 0.052 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 54.024 0.753 15.827 1.00 0.00 H new ATOM 391 N THR A 151 52.327 0.759 7.631 1.00 0.00 N ATOM 392 CA THR A 151 52.539 1.573 6.432 1.00 0.00 C ATOM 393 C THR A 151 51.207 1.904 5.730 1.00 0.00 C ATOM 394 O THR A 151 51.089 2.905 5.007 1.00 0.00 O ATOM 395 CB THR A 151 53.453 0.801 5.471 1.00 0.00 C ATOM 396 OG1 THR A 151 52.810 -0.403 5.079 1.00 0.00 O ATOM 397 CG2 THR A 151 54.779 0.467 6.162 1.00 0.00 C ATOM 0 H THR A 151 52.810 -0.139 7.616 1.00 0.00 H new ATOM 0 HA THR A 151 53.000 2.516 6.726 1.00 0.00 H new ATOM 0 HB THR A 151 53.653 1.417 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.485 -1.088 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.421 -0.081 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.275 1.390 6.464 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.586 -0.146 7.043 1.00 0.00 H new ATOM 405 N SER A 152 50.173 1.114 6.018 1.00 0.00 N ATOM 406 CA SER A 152 48.875 1.292 5.371 1.00 0.00 C ATOM 407 C SER A 152 48.247 2.653 5.678 1.00 0.00 C ATOM 408 O SER A 152 47.332 3.088 4.970 1.00 0.00 O ATOM 409 CB SER A 152 47.933 0.190 5.840 1.00 0.00 C ATOM 410 OG SER A 152 48.133 -0.042 7.227 1.00 0.00 O ATOM 0 H SER A 152 50.209 0.349 6.691 1.00 0.00 H new ATOM 0 HA SER A 152 49.034 1.242 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.898 0.477 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.117 -0.725 5.277 1.00 0.00 H new ATOM 0 HG SER A 152 48.739 -0.802 7.347 1.00 0.00 H new ATOM 416 N GLU A 153 48.769 3.360 6.685 1.00 0.00 N ATOM 417 CA GLU A 153 48.271 4.697 6.994 1.00 0.00 C ATOM 418 C GLU A 153 48.387 5.602 5.767 1.00 0.00 C ATOM 419 O GLU A 153 47.383 6.146 5.294 1.00 0.00 O ATOM 420 CB GLU A 153 49.066 5.289 8.158 1.00 0.00 C ATOM 421 CG GLU A 153 48.633 4.618 9.464 1.00 0.00 C ATOM 422 CD GLU A 153 49.235 5.349 10.663 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.380 5.762 10.573 1.00 0.00 O ATOM 424 OE2 GLU A 153 48.539 5.485 11.655 1.00 0.00 O ATOM 0 H GLU A 153 49.523 3.033 7.289 1.00 0.00 H new ATOM 0 HA GLU A 153 47.221 4.626 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.134 5.140 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 153 48.900 6.365 8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.546 4.619 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.952 3.576 9.468 1.00 0.00 H new ATOM 431 N MET A 154 49.564 5.592 5.134 1.00 0.00 N ATOM 432 CA MET A 154 49.805 6.495 4.013 1.00 0.00 C ATOM 433 C MET A 154 48.906 6.142 2.841 1.00 0.00 C ATOM 434 O MET A 154 48.594 7.004 2.018 1.00 0.00 O ATOM 435 CB MET A 154 51.247 6.431 3.528 1.00 0.00 C ATOM 436 CG MET A 154 52.198 6.851 4.645 1.00 0.00 C ATOM 437 SD MET A 154 53.885 6.961 3.989 1.00 0.00 S ATOM 438 CE MET A 154 54.029 5.252 3.408 1.00 0.00 C ATOM 0 H MET A 154 50.346 4.983 5.374 1.00 0.00 H new ATOM 0 HA MET A 154 49.591 7.500 4.376 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.484 5.419 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.377 7.084 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.892 7.813 5.056 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.160 6.129 5.461 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.082 4.994 3.293 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.568 4.581 4.133 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.524 5.151 2.447 1.00 0.00 H new ATOM 448 N MET A 155 48.548 4.859 2.705 1.00 0.00 N ATOM 449 CA MET A 155 47.755 4.424 1.556 1.00 0.00 C ATOM 450 C MET A 155 46.345 5.017 1.598 1.00 0.00 C ATOM 451 O MET A 155 45.808 5.427 0.568 1.00 0.00 O ATOM 452 CB MET A 155 47.654 2.893 1.538 1.00 0.00 C ATOM 453 CG MET A 155 49.060 2.274 1.502 1.00 0.00 C ATOM 454 SD MET A 155 49.859 2.643 -0.082 1.00 0.00 S ATOM 455 CE MET A 155 51.555 2.266 0.426 1.00 0.00 C ATOM 0 H MET A 155 48.791 4.119 3.364 1.00 0.00 H new ATOM 0 HA MET A 155 48.256 4.776 0.654 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.117 2.545 2.421 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.082 2.568 0.669 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.661 2.667 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.995 1.195 1.643 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.231 2.428 -0.414 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.840 2.917 1.253 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.616 1.226 0.745 1.00 0.00 H new ATOM 465 N LYS A 156 45.750 5.057 2.794 1.00 0.00 N ATOM 466 CA LYS A 156 44.321 5.336 2.912 1.00 0.00 C ATOM 467 C LYS A 156 44.021 6.837 2.996 1.00 0.00 C ATOM 468 O LYS A 156 42.882 7.254 2.774 1.00 0.00 O ATOM 469 CB LYS A 156 43.785 4.653 4.169 1.00 0.00 C ATOM 470 CG LYS A 156 43.767 3.138 3.959 1.00 0.00 C ATOM 471 CD LYS A 156 43.334 2.443 5.254 1.00 0.00 C ATOM 472 CE LYS A 156 41.841 2.686 5.505 1.00 0.00 C ATOM 473 NZ LYS A 156 41.675 3.771 6.514 1.00 0.00 N ATOM 0 H LYS A 156 46.230 4.902 3.681 1.00 0.00 H new ATOM 0 HA LYS A 156 43.835 4.952 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.409 4.904 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.780 5.012 4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.082 2.881 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.756 2.790 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.530 1.373 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 156 43.919 2.821 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 156 41.345 2.962 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 156 41.367 1.770 5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 40.861 4.364 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.513 3.351 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 42.535 4.355 6.540 1.00 0.00 H new ATOM 487 N ASP A 157 45.037 7.644 3.317 1.00 0.00 N ATOM 488 CA ASP A 157 44.842 9.096 3.386 1.00 0.00 C ATOM 489 C ASP A 157 45.702 9.843 2.353 1.00 0.00 C ATOM 490 O ASP A 157 45.192 10.247 1.307 1.00 0.00 O ATOM 491 CB ASP A 157 45.134 9.594 4.811 1.00 0.00 C ATOM 492 CG ASP A 157 43.835 9.738 5.603 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.033 8.819 5.562 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.662 10.766 6.238 1.00 0.00 O ATOM 0 H ASP A 157 45.983 7.326 3.529 1.00 0.00 H new ATOM 0 HA ASP A 157 43.801 9.309 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.800 8.896 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.650 10.553 4.769 1.00 0.00 H new ATOM 499 N PRO A 158 46.979 10.028 2.606 1.00 0.00 N ATOM 500 CA PRO A 158 47.782 11.081 1.903 1.00 0.00 C ATOM 501 C PRO A 158 47.931 10.851 0.397 1.00 0.00 C ATOM 502 O PRO A 158 47.952 9.717 -0.082 1.00 0.00 O ATOM 503 CB PRO A 158 49.150 11.036 2.594 1.00 0.00 C ATOM 504 CG PRO A 158 49.235 9.680 3.195 1.00 0.00 C ATOM 505 CD PRO A 158 47.809 9.315 3.593 1.00 0.00 C ATOM 0 HA PRO A 158 47.284 12.048 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.958 11.203 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.233 11.811 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.639 8.961 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.896 9.676 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.645 8.238 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.583 9.633 4.611 1.00 0.00 H new ATOM 513 N GLN A 159 48.188 11.950 -0.318 1.00 0.00 N ATOM 514 CA GLN A 159 48.475 11.904 -1.757 1.00 0.00 C ATOM 515 C GLN A 159 49.723 11.060 -2.061 1.00 0.00 C ATOM 516 O GLN A 159 49.919 10.618 -3.198 1.00 0.00 O ATOM 517 CB GLN A 159 48.674 13.321 -2.298 1.00 0.00 C ATOM 518 CG GLN A 159 47.311 13.976 -2.541 1.00 0.00 C ATOM 519 CD GLN A 159 46.614 13.314 -3.726 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.179 13.236 -4.816 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.411 12.831 -3.576 1.00 0.00 N ATOM 0 H GLN A 159 48.203 12.890 0.079 1.00 0.00 H new ATOM 0 HA GLN A 159 47.621 11.437 -2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.252 13.914 -1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.244 13.290 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.692 13.886 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.440 15.041 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.944 12.897 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.938 12.388 -4.363 1.00 0.00 H new ATOM 530 N LEU A 160 50.539 10.804 -1.032 1.00 0.00 N ATOM 531 CA LEU A 160 51.852 10.195 -1.236 1.00 0.00 C ATOM 532 C LEU A 160 51.727 8.867 -1.996 1.00 0.00 C ATOM 533 O LEU A 160 52.669 8.439 -2.656 1.00 0.00 O ATOM 534 CB LEU A 160 52.524 9.943 0.119 1.00 0.00 C ATOM 535 CG LEU A 160 54.007 9.614 -0.086 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.771 10.866 -0.547 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.599 9.105 1.233 1.00 0.00 C ATOM 0 H LEU A 160 50.313 11.008 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 160 52.458 10.881 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.422 10.823 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.028 9.120 0.633 1.00 0.00 H new ATOM 0 HG LEU A 160 54.100 8.845 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.823 10.619 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.352 11.222 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.681 11.646 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.654 8.870 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.498 9.875 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.066 8.208 1.549 1.00 0.00 H new ATOM 549 N VAL A 161 50.548 8.230 -1.914 1.00 0.00 N ATOM 550 CA VAL A 161 50.305 6.967 -2.619 1.00 0.00 C ATOM 551 C VAL A 161 50.542 7.131 -4.119 1.00 0.00 C ATOM 552 O VAL A 161 51.387 6.454 -4.701 1.00 0.00 O ATOM 553 CB VAL A 161 48.856 6.499 -2.401 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.715 5.045 -2.863 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.476 6.592 -0.919 1.00 0.00 C ATOM 0 H VAL A 161 49.755 8.568 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 161 50.997 6.227 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 161 48.192 7.143 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.689 4.712 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.965 4.974 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.391 4.413 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.448 6.257 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.143 5.960 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.567 7.625 -0.584 1.00 0.00 H new ATOM 565 N ALA A 162 49.839 8.091 -4.727 1.00 0.00 N ATOM 566 CA ALA A 162 49.909 8.284 -6.177 1.00 0.00 C ATOM 567 C ALA A 162 51.344 8.589 -6.588 1.00 0.00 C ATOM 568 O ALA A 162 51.934 7.893 -7.419 1.00 0.00 O ATOM 569 CB ALA A 162 49.009 9.453 -6.587 1.00 0.00 C ATOM 0 H ALA A 162 49.220 8.741 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 162 49.574 7.373 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.064 9.593 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 162 47.980 9.237 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.342 10.362 -6.086 1.00 0.00 H new ATOM 575 N LYS A 163 51.950 9.525 -5.853 1.00 0.00 N ATOM 576 CA LYS A 163 53.320 9.953 -6.142 1.00 0.00 C ATOM 577 C LYS A 163 54.262 8.746 -6.161 1.00 0.00 C ATOM 578 O LYS A 163 54.882 8.450 -7.185 1.00 0.00 O ATOM 579 CB LYS A 163 53.791 10.951 -5.081 1.00 0.00 C ATOM 580 CG LYS A 163 52.892 12.192 -5.102 1.00 0.00 C ATOM 581 CD LYS A 163 53.144 12.989 -6.384 1.00 0.00 C ATOM 582 CE LYS A 163 52.367 14.305 -6.328 1.00 0.00 C ATOM 583 NZ LYS A 163 52.787 15.180 -7.459 1.00 0.00 N ATOM 0 H LYS A 163 51.517 9.998 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 163 53.334 10.431 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.764 10.487 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.826 11.237 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.845 11.895 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.094 12.814 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.210 13.188 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.834 12.408 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.296 14.110 -6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.550 14.807 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.258 16.075 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.806 15.376 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.590 14.700 -8.361 1.00 0.00 H new ATOM 597 N LEU A 164 54.200 7.943 -5.098 1.00 0.00 N ATOM 598 CA LEU A 164 55.069 6.777 -4.964 1.00 0.00 C ATOM 599 C LEU A 164 54.850 5.779 -6.099 1.00 0.00 C ATOM 600 O LEU A 164 55.802 5.206 -6.610 1.00 0.00 O ATOM 601 CB LEU A 164 54.793 6.084 -3.627 1.00 0.00 C ATOM 602 CG LEU A 164 55.287 6.963 -2.475 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.788 6.388 -1.148 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.818 6.991 -2.469 1.00 0.00 C ATOM 0 H LEU A 164 53.557 8.080 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 164 56.102 7.123 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.725 5.894 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.294 5.116 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 164 54.905 7.976 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.139 7.012 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.698 6.366 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.171 5.375 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.167 7.617 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.200 5.978 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.178 7.397 -3.414 1.00 0.00 H new ATOM 616 N ILE A 165 53.596 5.619 -6.526 1.00 0.00 N ATOM 617 CA ILE A 165 53.252 4.571 -7.490 1.00 0.00 C ATOM 618 C ILE A 165 54.005 4.787 -8.806 1.00 0.00 C ATOM 619 O ILE A 165 54.532 3.834 -9.390 1.00 0.00 O ATOM 620 CB ILE A 165 51.723 4.528 -7.696 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.097 3.900 -6.444 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.357 3.674 -8.922 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.576 4.054 -6.475 1.00 0.00 C ATOM 0 H ILE A 165 52.810 6.194 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 165 53.561 3.602 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 165 51.351 5.539 -7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.361 2.844 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.499 4.377 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.274 3.660 -9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.818 4.100 -9.813 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.719 2.656 -8.778 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.146 3.604 -5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.318 5.113 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.178 3.556 -7.359 1.00 0.00 H new ATOM 635 N GLY A 166 54.151 6.047 -9.215 1.00 0.00 N ATOM 636 CA GLY A 166 54.957 6.351 -10.392 1.00 0.00 C ATOM 637 C GLY A 166 56.428 6.127 -10.065 1.00 0.00 C ATOM 638 O GLY A 166 57.150 5.426 -10.781 1.00 0.00 O ATOM 0 H GLY A 166 53.731 6.857 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.657 5.717 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.794 7.383 -10.702 1.00 0.00 H new ATOM 642 N TYR A 167 56.845 6.718 -8.946 1.00 0.00 N ATOM 643 CA TYR A 167 58.199 6.543 -8.422 1.00 0.00 C ATOM 644 C TYR A 167 58.508 5.078 -8.085 1.00 0.00 C ATOM 645 O TYR A 167 59.666 4.717 -7.893 1.00 0.00 O ATOM 646 CB TYR A 167 58.346 7.443 -7.186 1.00 0.00 C ATOM 647 CG TYR A 167 59.722 7.512 -6.575 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.770 8.164 -7.267 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.943 6.989 -5.280 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.046 8.281 -6.671 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.220 7.103 -4.681 1.00 0.00 C ATOM 652 CZ TYR A 167 62.275 7.749 -5.378 1.00 0.00 C ATOM 653 OH TYR A 167 63.523 7.861 -4.801 1.00 0.00 O ATOM 0 H TYR A 167 56.257 7.329 -8.379 1.00 0.00 H new ATOM 0 HA TYR A 167 58.921 6.829 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.041 8.453 -7.459 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.649 7.095 -6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.595 8.572 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.138 6.503 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.846 8.776 -7.201 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.392 6.699 -3.694 1.00 0.00 H new ATOM 0 HH TYR A 167 63.760 8.808 -4.715 1.00 0.00 H new ATOM 663 N LYS A 168 57.467 4.257 -7.956 1.00 0.00 N ATOM 664 CA LYS A 168 57.646 2.824 -7.718 1.00 0.00 C ATOM 665 C LYS A 168 58.040 2.079 -8.996 1.00 0.00 C ATOM 666 O LYS A 168 58.973 1.274 -8.992 1.00 0.00 O ATOM 667 CB LYS A 168 56.346 2.238 -7.160 1.00 0.00 C ATOM 668 CG LYS A 168 56.299 2.450 -5.636 1.00 0.00 C ATOM 669 CD LYS A 168 54.905 2.110 -5.071 1.00 0.00 C ATOM 670 CE LYS A 168 54.401 0.762 -5.606 1.00 0.00 C ATOM 671 NZ LYS A 168 53.623 0.061 -4.543 1.00 0.00 N ATOM 0 H LYS A 168 56.494 4.557 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 168 58.456 2.699 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.487 2.717 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.285 1.175 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 168 57.052 1.825 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.547 3.485 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.949 2.078 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.200 2.897 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 168 53.776 0.919 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 168 55.244 0.146 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 54.144 -0.784 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 53.486 0.701 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 52.697 -0.223 -4.921 1.00 0.00 H new ATOM 685 N GLN A 169 57.326 2.357 -10.087 1.00 0.00 N ATOM 686 CA GLN A 169 57.426 1.523 -11.288 1.00 0.00 C ATOM 687 C GLN A 169 58.746 1.739 -12.044 1.00 0.00 C ATOM 688 O GLN A 169 59.438 0.777 -12.379 1.00 0.00 O ATOM 689 CB GLN A 169 56.256 1.829 -12.225 1.00 0.00 C ATOM 690 CG GLN A 169 54.946 1.391 -11.566 1.00 0.00 C ATOM 691 CD GLN A 169 53.772 1.686 -12.494 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.310 2.824 -12.570 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.258 0.721 -13.208 1.00 0.00 N ATOM 0 H GLN A 169 56.680 3.142 -10.166 1.00 0.00 H new ATOM 0 HA GLN A 169 57.396 0.483 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.224 2.895 -12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.390 1.309 -13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 169 54.982 0.326 -11.339 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.813 1.915 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.642 -0.222 -13.144 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.472 0.910 -13.830 1.00 0.00 H new ATOM 702 N ASN A 170 59.090 3.003 -12.300 1.00 0.00 N ATOM 703 CA ASN A 170 60.182 3.315 -13.243 1.00 0.00 C ATOM 704 C ASN A 170 61.535 3.623 -12.565 1.00 0.00 C ATOM 705 O ASN A 170 62.576 3.190 -13.063 1.00 0.00 O ATOM 706 CB ASN A 170 59.778 4.510 -14.107 1.00 0.00 C ATOM 707 CG ASN A 170 60.630 4.552 -15.370 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.845 3.522 -16.010 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.133 5.688 -15.770 1.00 0.00 N ATOM 0 H ASN A 170 58.642 3.818 -11.880 1.00 0.00 H new ATOM 0 HA ASN A 170 60.331 2.416 -13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.723 4.437 -14.372 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.902 5.435 -13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.705 5.724 -16.614 1.00 0.00 H new ATOM 0 HD22 ASN A 170 60.954 6.540 -15.239 1.00 0.00 H new ATOM 716 N PRO A 171 61.556 4.335 -11.457 1.00 0.00 N ATOM 717 CA PRO A 171 62.810 4.960 -10.947 1.00 0.00 C ATOM 718 C PRO A 171 63.471 4.198 -9.800 1.00 0.00 C ATOM 719 O PRO A 171 63.122 4.378 -8.633 1.00 0.00 O ATOM 720 CB PRO A 171 62.377 6.351 -10.509 1.00 0.00 C ATOM 721 CG PRO A 171 60.952 6.216 -10.118 1.00 0.00 C ATOM 722 CD PRO A 171 60.400 4.939 -10.770 1.00 0.00 C ATOM 0 HA PRO A 171 63.579 4.964 -11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 171 62.981 6.706 -9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.496 7.072 -11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.858 6.161 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.383 7.087 -10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.986 4.261 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.598 5.168 -11.472 1.00 0.00 H new ATOM 730 N GLN A 172 64.470 3.376 -10.137 1.00 0.00 N ATOM 731 CA GLN A 172 65.281 2.665 -9.123 1.00 0.00 C ATOM 732 C GLN A 172 65.761 3.588 -7.974 1.00 0.00 C ATOM 733 O GLN A 172 66.170 3.104 -6.914 1.00 0.00 O ATOM 734 CB GLN A 172 66.499 2.023 -9.793 1.00 0.00 C ATOM 735 CG GLN A 172 66.037 1.001 -10.836 1.00 0.00 C ATOM 736 CD GLN A 172 65.419 -0.211 -10.145 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.977 -0.725 -9.176 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.294 -0.701 -10.589 1.00 0.00 N ATOM 0 H GLN A 172 64.742 3.182 -11.101 1.00 0.00 H new ATOM 0 HA GLN A 172 64.636 1.905 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.111 2.790 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.123 1.536 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.309 1.458 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.882 0.688 -11.449 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.833 -0.273 -11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.875 -1.512 -10.133 1.00 0.00 H new ATOM 747 N ALA A 173 65.638 4.908 -8.158 1.00 0.00 N ATOM 748 CA ALA A 173 66.146 5.879 -7.191 1.00 0.00 C ATOM 749 C ALA A 173 65.503 5.716 -5.799 1.00 0.00 C ATOM 750 O ALA A 173 65.970 6.323 -4.836 1.00 0.00 O ATOM 751 CB ALA A 173 65.848 7.287 -7.703 1.00 0.00 C ATOM 0 H ALA A 173 65.188 5.326 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 173 67.218 5.710 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.223 8.021 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.337 7.435 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.771 7.411 -7.820 1.00 0.00 H new ATOM 757 N ILE A 174 64.468 4.865 -5.677 1.00 0.00 N ATOM 758 CA ILE A 174 63.710 4.767 -4.421 1.00 0.00 C ATOM 759 C ILE A 174 64.629 4.387 -3.256 1.00 0.00 C ATOM 760 O ILE A 174 64.376 4.765 -2.112 1.00 0.00 O ATOM 761 CB ILE A 174 62.593 3.719 -4.537 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.751 4.006 -5.802 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.713 3.782 -3.277 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.520 3.099 -5.872 1.00 0.00 C ATOM 0 H ILE A 174 64.143 4.246 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 174 63.270 5.746 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 174 63.021 2.720 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.436 5.050 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.365 3.858 -6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.917 3.041 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.322 3.574 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.275 4.776 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.951 3.327 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.837 2.056 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.894 3.267 -4.995 1.00 0.00 H new ATOM 776 N GLY A 175 65.707 3.655 -3.559 1.00 0.00 N ATOM 777 CA GLY A 175 66.606 3.152 -2.519 1.00 0.00 C ATOM 778 C GLY A 175 67.142 4.286 -1.639 1.00 0.00 C ATOM 779 O GLY A 175 67.456 4.076 -0.466 1.00 0.00 O ATOM 0 H GLY A 175 65.975 3.400 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.077 2.429 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.440 2.625 -2.982 1.00 0.00 H new ATOM 783 N GLN A 176 67.242 5.487 -2.215 1.00 0.00 N ATOM 784 CA GLN A 176 67.763 6.641 -1.490 1.00 0.00 C ATOM 785 C GLN A 176 66.654 7.361 -0.723 1.00 0.00 C ATOM 786 O GLN A 176 66.898 7.934 0.340 1.00 0.00 O ATOM 787 CB GLN A 176 68.414 7.617 -2.473 1.00 0.00 C ATOM 788 CG GLN A 176 69.597 6.934 -3.161 1.00 0.00 C ATOM 789 CD GLN A 176 70.274 7.908 -4.120 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.760 8.170 -5.206 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.406 8.463 -3.779 1.00 0.00 N ATOM 0 H GLN A 176 66.969 5.682 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 176 68.502 6.284 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.685 7.942 -3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.752 8.510 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.313 6.588 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.254 6.054 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 176 71.830 8.244 -2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 176 71.866 9.115 -4.414 1.00 0.00 H new ATOM 800 N ASP A 177 65.439 7.323 -1.271 1.00 0.00 N ATOM 801 CA ASP A 177 64.337 8.081 -0.693 1.00 0.00 C ATOM 802 C ASP A 177 63.818 7.419 0.580 1.00 0.00 C ATOM 803 O ASP A 177 63.155 8.078 1.381 1.00 0.00 O ATOM 804 CB ASP A 177 63.192 8.261 -1.703 1.00 0.00 C ATOM 805 CG ASP A 177 63.379 9.548 -2.521 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.246 10.340 -2.181 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.626 9.739 -3.460 1.00 0.00 O ATOM 0 H ASP A 177 65.198 6.783 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 177 64.724 9.067 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.154 7.402 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.239 8.296 -1.176 1.00 0.00 H new ATOM 812 N LEU A 178 64.100 6.123 0.772 1.00 0.00 N ATOM 813 CA LEU A 178 63.728 5.458 2.028 1.00 0.00 C ATOM 814 C LEU A 178 64.320 6.231 3.219 1.00 0.00 C ATOM 815 O LEU A 178 63.649 6.473 4.222 1.00 0.00 O ATOM 816 CB LEU A 178 64.253 4.009 2.077 1.00 0.00 C ATOM 817 CG LEU A 178 63.965 3.221 0.786 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.739 1.905 0.845 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.471 2.898 0.675 1.00 0.00 C ATOM 0 H LEU A 178 64.572 5.527 0.093 1.00 0.00 H new ATOM 0 HA LEU A 178 62.639 5.441 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.328 4.024 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.797 3.492 2.921 1.00 0.00 H new ATOM 0 HG LEU A 178 64.265 3.820 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.549 1.330 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.806 2.114 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.415 1.331 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.286 2.341 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.164 2.298 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.899 3.825 0.658 1.00 0.00 H new ATOM 831 N PHE A 179 65.594 6.603 3.076 1.00 0.00 N ATOM 832 CA PHE A 179 66.293 7.413 4.080 1.00 0.00 C ATOM 833 C PHE A 179 65.507 8.684 4.432 1.00 0.00 C ATOM 834 O PHE A 179 65.516 9.128 5.581 1.00 0.00 O ATOM 835 CB PHE A 179 67.673 7.795 3.551 1.00 0.00 C ATOM 836 CG PHE A 179 68.670 6.660 3.589 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.421 6.418 4.764 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.853 5.841 2.449 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.355 5.353 4.800 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.787 4.777 2.485 1.00 0.00 C ATOM 841 CZ PHE A 179 70.538 4.533 3.661 1.00 0.00 C ATOM 0 H PHE A 179 66.167 6.355 2.269 1.00 0.00 H new ATOM 0 HA PHE A 179 66.389 6.817 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.575 8.147 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.060 8.628 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.282 7.045 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.281 6.027 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.927 5.167 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.927 4.152 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.250 3.721 3.688 1.00 0.00 H new ATOM 851 N THR A 180 64.835 9.257 3.436 1.00 0.00 N ATOM 852 CA THR A 180 64.041 10.474 3.650 1.00 0.00 C ATOM 853 C THR A 180 62.596 10.133 4.043 1.00 0.00 C ATOM 854 O THR A 180 61.918 10.928 4.694 1.00 0.00 O ATOM 855 CB THR A 180 64.037 11.340 2.382 1.00 0.00 C ATOM 856 OG1 THR A 180 63.267 10.701 1.375 1.00 0.00 O ATOM 857 CG2 THR A 180 65.471 11.543 1.882 1.00 0.00 C ATOM 0 H THR A 180 64.821 8.905 2.479 1.00 0.00 H new ATOM 0 HA THR A 180 64.501 11.030 4.467 1.00 0.00 H new ATOM 0 HB THR A 180 63.600 12.312 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.510 9.753 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.459 12.158 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.058 12.040 2.654 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.917 10.575 1.654 1.00 0.00 H new ATOM 865 N ASP A 181 62.137 8.945 3.638 1.00 0.00 N ATOM 866 CA ASP A 181 60.763 8.524 3.904 1.00 0.00 C ATOM 867 C ASP A 181 60.730 7.424 4.973 1.00 0.00 C ATOM 868 O ASP A 181 61.168 6.302 4.712 1.00 0.00 O ATOM 869 CB ASP A 181 60.116 8.007 2.617 1.00 0.00 C ATOM 870 CG ASP A 181 58.601 8.241 2.636 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.078 8.606 3.679 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.985 8.056 1.600 1.00 0.00 O ATOM 0 H ASP A 181 62.696 8.262 3.127 1.00 0.00 H new ATOM 0 HA ASP A 181 60.206 9.386 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.555 8.511 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.323 6.943 2.503 1.00 0.00 H new ATOM 877 N PRO A 182 60.193 7.700 6.146 1.00 0.00 N ATOM 878 CA PRO A 182 60.242 6.720 7.276 1.00 0.00 C ATOM 879 C PRO A 182 59.443 5.450 6.983 1.00 0.00 C ATOM 880 O PRO A 182 59.977 4.343 7.064 1.00 0.00 O ATOM 881 CB PRO A 182 59.642 7.482 8.464 1.00 0.00 C ATOM 882 CG PRO A 182 58.804 8.556 7.863 1.00 0.00 C ATOM 883 CD PRO A 182 59.464 8.925 6.538 1.00 0.00 C ATOM 0 HA PRO A 182 61.259 6.375 7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.044 6.822 9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.424 7.902 9.097 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.783 8.209 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.749 9.421 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.724 9.206 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.140 9.772 6.652 1.00 0.00 H new ATOM 891 N ARG A 183 58.164 5.616 6.638 1.00 0.00 N ATOM 892 CA ARG A 183 57.266 4.467 6.494 1.00 0.00 C ATOM 893 C ARG A 183 57.688 3.553 5.346 1.00 0.00 C ATOM 894 O ARG A 183 57.594 2.334 5.473 1.00 0.00 O ATOM 895 CB ARG A 183 55.821 4.924 6.274 1.00 0.00 C ATOM 896 CG ARG A 183 55.381 5.811 7.443 1.00 0.00 C ATOM 897 CD ARG A 183 53.899 6.159 7.290 1.00 0.00 C ATOM 898 NE ARG A 183 53.283 6.377 8.599 1.00 0.00 N ATOM 899 CZ ARG A 183 53.538 7.461 9.343 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.381 8.384 8.943 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.930 7.604 10.488 1.00 0.00 N ATOM 0 H ARG A 183 57.731 6.521 6.455 1.00 0.00 H new ATOM 0 HA ARG A 183 57.329 3.902 7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.741 5.474 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.163 4.059 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.549 5.295 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.979 6.722 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.792 7.055 6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.383 5.353 6.769 1.00 0.00 H new ATOM 0 HE ARG A 183 52.635 5.677 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.859 8.285 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.558 9.201 9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.270 6.895 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.115 8.425 11.065 1.00 0.00 H new ATOM 915 N LEU A 184 58.205 4.129 4.250 1.00 0.00 N ATOM 916 CA LEU A 184 58.610 3.321 3.082 1.00 0.00 C ATOM 917 C LEU A 184 59.529 2.173 3.513 1.00 0.00 C ATOM 918 O LEU A 184 59.446 1.062 2.982 1.00 0.00 O ATOM 919 CB LEU A 184 59.338 4.191 2.040 1.00 0.00 C ATOM 920 CG LEU A 184 58.323 4.822 1.074 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.030 5.858 0.190 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.707 3.734 0.178 1.00 0.00 C ATOM 0 H LEU A 184 58.352 5.133 4.145 1.00 0.00 H new ATOM 0 HA LEU A 184 57.706 2.910 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.908 4.973 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.052 3.584 1.483 1.00 0.00 H new ATOM 0 HG LEU A 184 57.536 5.305 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.309 6.305 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.465 6.636 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.819 5.370 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 184 56.988 4.188 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.495 3.247 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.201 2.995 0.799 1.00 0.00 H new ATOM 934 N MET A 185 60.351 2.430 4.529 1.00 0.00 N ATOM 935 CA MET A 185 61.242 1.403 5.055 1.00 0.00 C ATOM 936 C MET A 185 60.447 0.272 5.713 1.00 0.00 C ATOM 937 O MET A 185 60.657 -0.895 5.404 1.00 0.00 O ATOM 938 CB MET A 185 62.218 2.012 6.058 1.00 0.00 C ATOM 939 CG MET A 185 63.245 2.863 5.310 1.00 0.00 C ATOM 940 SD MET A 185 64.555 3.370 6.450 1.00 0.00 S ATOM 941 CE MET A 185 65.777 3.824 5.193 1.00 0.00 C ATOM 0 H MET A 185 60.417 3.333 4.999 1.00 0.00 H new ATOM 0 HA MET A 185 61.806 0.984 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.679 2.624 6.782 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.721 1.224 6.618 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.669 2.295 4.482 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.762 3.741 4.881 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.780 3.709 5.603 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.664 3.175 4.324 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.623 4.861 4.894 1.00 0.00 H new ATOM 951 N THR A 186 59.436 0.621 6.509 1.00 0.00 N ATOM 952 CA THR A 186 58.634 -0.389 7.212 1.00 0.00 C ATOM 953 C THR A 186 57.957 -1.326 6.201 1.00 0.00 C ATOM 954 O THR A 186 57.863 -2.536 6.417 1.00 0.00 O ATOM 955 CB THR A 186 57.576 0.312 8.084 1.00 0.00 C ATOM 956 OG1 THR A 186 58.227 1.205 8.977 1.00 0.00 O ATOM 957 CG2 THR A 186 56.769 -0.714 8.891 1.00 0.00 C ATOM 0 H THR A 186 59.152 1.585 6.684 1.00 0.00 H new ATOM 0 HA THR A 186 59.285 -0.985 7.851 1.00 0.00 H new ATOM 0 HB THR A 186 56.892 0.859 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.558 1.656 9.534 1.00 0.00 H new ATOM 0 HG21 THR A 186 56.028 -0.196 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.265 -1.398 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.441 -1.277 9.539 1.00 0.00 H new ATOM 965 N ILE A 187 57.514 -0.749 5.082 1.00 0.00 N ATOM 966 CA ILE A 187 56.961 -1.532 3.966 1.00 0.00 C ATOM 967 C ILE A 187 57.983 -2.582 3.507 1.00 0.00 C ATOM 968 O ILE A 187 57.655 -3.755 3.311 1.00 0.00 O ATOM 969 CB ILE A 187 56.623 -0.604 2.782 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.721 0.552 3.238 1.00 0.00 C ATOM 971 CG2 ILE A 187 55.875 -1.395 1.709 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.600 1.590 2.118 1.00 0.00 C ATOM 0 H ILE A 187 57.526 0.258 4.921 1.00 0.00 H new ATOM 0 HA ILE A 187 56.053 -2.029 4.306 1.00 0.00 H new ATOM 0 HB ILE A 187 57.557 -0.205 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.734 0.172 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.134 1.016 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 187 55.637 -0.738 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.501 -2.215 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 187 54.953 -1.796 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.959 2.408 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.589 1.979 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.166 1.123 1.234 1.00 0.00 H new ATOM 984 N MET A 188 59.232 -2.142 3.390 1.00 0.00 N ATOM 985 CA MET A 188 60.325 -3.020 2.974 1.00 0.00 C ATOM 986 C MET A 188 60.437 -4.224 3.911 1.00 0.00 C ATOM 987 O MET A 188 60.597 -5.359 3.469 1.00 0.00 O ATOM 988 CB MET A 188 61.643 -2.248 3.001 1.00 0.00 C ATOM 989 CG MET A 188 61.554 -1.006 2.096 1.00 0.00 C ATOM 990 SD MET A 188 62.722 -1.143 0.719 1.00 0.00 S ATOM 991 CE MET A 188 61.609 -1.983 -0.430 1.00 0.00 C ATOM 0 H MET A 188 59.515 -1.180 3.578 1.00 0.00 H new ATOM 0 HA MET A 188 60.117 -3.372 1.964 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.874 -1.946 4.022 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.456 -2.892 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.540 -0.900 1.712 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.770 -0.109 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.872 -3.039 -0.484 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.581 -1.882 -0.080 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.701 -1.535 -1.419 1.00 0.00 H new ATOM 1001 N ALA A 189 60.339 -3.952 5.208 1.00 0.00 N ATOM 1002 CA ALA A 189 60.476 -4.992 6.234 1.00 0.00 C ATOM 1003 C ALA A 189 59.444 -6.115 6.073 1.00 0.00 C ATOM 1004 O ALA A 189 59.809 -7.288 6.053 1.00 0.00 O ATOM 1005 CB ALA A 189 60.329 -4.365 7.624 1.00 0.00 C ATOM 0 H ALA A 189 60.165 -3.018 5.579 1.00 0.00 H new ATOM 0 HA ALA A 189 61.465 -5.435 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.431 -5.139 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 189 61.103 -3.611 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.348 -3.898 7.711 1.00 0.00 H new ATOM 1011 N THR A 190 58.160 -5.760 5.936 1.00 0.00 N ATOM 1012 CA THR A 190 57.102 -6.777 5.778 1.00 0.00 C ATOM 1013 C THR A 190 57.419 -7.714 4.606 1.00 0.00 C ATOM 1014 O THR A 190 57.274 -8.932 4.714 1.00 0.00 O ATOM 1015 CB THR A 190 55.745 -6.099 5.518 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.949 -4.865 4.842 1.00 0.00 O ATOM 1017 CG2 THR A 190 55.010 -5.849 6.837 1.00 0.00 C ATOM 0 H THR A 190 57.828 -4.795 5.931 1.00 0.00 H new ATOM 0 HA THR A 190 57.055 -7.356 6.700 1.00 0.00 H new ATOM 0 HB THR A 190 55.137 -6.758 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.629 -4.982 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.052 -5.369 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.840 -6.799 7.344 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.613 -5.201 7.473 1.00 0.00 H new ATOM 1025 N LEU A 191 57.847 -7.124 3.494 1.00 0.00 N ATOM 1026 CA LEU A 191 58.270 -7.906 2.327 1.00 0.00 C ATOM 1027 C LEU A 191 59.416 -8.862 2.686 1.00 0.00 C ATOM 1028 O LEU A 191 59.322 -10.072 2.475 1.00 0.00 O ATOM 1029 CB LEU A 191 58.761 -6.963 1.231 1.00 0.00 C ATOM 1030 CG LEU A 191 57.589 -6.180 0.630 1.00 0.00 C ATOM 1031 CD1 LEU A 191 58.088 -4.805 0.148 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.998 -6.969 -0.548 1.00 0.00 C ATOM 0 H LEU A 191 57.912 -6.113 3.372 1.00 0.00 H new ATOM 0 HA LEU A 191 57.413 -8.486 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.496 -6.271 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.263 -7.534 0.450 1.00 0.00 H new ATOM 0 HG LEU A 191 56.816 -6.035 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 191 57.256 -4.246 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.501 -4.252 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.860 -4.943 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 191 56.164 -6.413 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.765 -7.116 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.645 -7.938 -0.196 1.00 0.00 H new ATOM 1044 N MET A 192 60.488 -8.296 3.229 1.00 0.00 N ATOM 1045 CA MET A 192 61.707 -9.048 3.515 1.00 0.00 C ATOM 1046 C MET A 192 61.558 -9.992 4.706 1.00 0.00 C ATOM 1047 O MET A 192 62.254 -11.005 4.791 1.00 0.00 O ATOM 1048 CB MET A 192 62.849 -8.080 3.780 1.00 0.00 C ATOM 1049 CG MET A 192 63.080 -7.204 2.539 1.00 0.00 C ATOM 1050 SD MET A 192 63.773 -8.203 1.196 1.00 0.00 S ATOM 1051 CE MET A 192 62.204 -8.603 0.387 1.00 0.00 C ATOM 0 H MET A 192 60.538 -7.309 3.482 1.00 0.00 H new ATOM 0 HA MET A 192 61.916 -9.663 2.640 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.616 -7.454 4.641 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.757 -8.631 4.023 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.139 -6.754 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.758 -6.386 2.782 1.00 0.00 H new ATOM 0 HE1 MET A 192 62.311 -8.489 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 192 61.928 -9.632 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 192 61.427 -7.929 0.747 1.00 0.00 H new ATOM 1061 N GLY A 193 60.652 -9.660 5.615 1.00 0.00 N ATOM 1062 CA GLY A 193 60.581 -10.338 6.903 1.00 0.00 C ATOM 1063 C GLY A 193 59.786 -11.638 6.796 1.00 0.00 C ATOM 1064 O GLY A 193 59.720 -12.414 7.750 1.00 0.00 O ATOM 0 H GLY A 193 59.956 -8.926 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.588 -10.552 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.114 -9.682 7.638 1.00 0.00 H new