USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 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 -42:sc= 0.122 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.129 K(o=-0.0068,f=-1.3) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc=-0.00442 K(o=-0.0044,f=-0.92) USER MOD Single : A 144 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.78) USER MOD Single : A 146 LYS NZ :NH3+ 157:sc= -0.0417 (180deg=-0.478) USER MOD Single : A 147 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0014) USER MOD Single : A 148 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.91) USER MOD Single : A 150 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0771) USER MOD Single : A 151 THR OG1 : rot 110:sc= -1.06 USER MOD Single : A 152 SER OG : rot -93:sc= 1.31 USER MOD Single : A 154 MET CE :methyl -153:sc= -0.626 (180deg=-1.96!) USER MOD Single : A 155 MET CE :methyl 180:sc= -0.14 (180deg=-0.14) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.57) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 60:sc= -1.81 USER MOD Single : A 168 LYS NZ :NH3+ 177:sc=-0.00424 (180deg=-0.0201) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.01 X(o=-0.01,f=-0.48) USER MOD Single : A 176 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 180 THR OG1 : rot -29:sc= 1.12 USER MOD Single : A 185 MET CE :methyl -148:sc= -2.41 (180deg=-3.54!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 166:sc= -6.7! (180deg=-7.53!) USER MOD Single : A 190 THR OG1 : rot 40:sc= 0.931 USER MOD Single : A 192 MET CE :methyl -143:sc= -0.359 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 62.980 -1.144 -5.113 1.00 0.00 N ATOM 92 CA THR A 133 61.873 -0.858 -6.021 1.00 0.00 C ATOM 93 C THR A 133 61.199 -2.124 -6.516 1.00 0.00 C ATOM 94 O THR A 133 59.990 -2.148 -6.660 1.00 0.00 O ATOM 95 CB THR A 133 62.388 -0.044 -7.204 1.00 0.00 C ATOM 96 OG1 THR A 133 63.414 -0.766 -7.868 1.00 0.00 O ATOM 97 CG2 THR A 133 62.940 1.282 -6.684 1.00 0.00 C ATOM 0 HA THR A 133 61.125 -0.288 -5.470 1.00 0.00 H new ATOM 0 HB THR A 133 61.577 0.145 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.002 -1.184 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.312 1.874 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.148 1.831 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.754 1.088 -5.986 1.00 0.00 H new ATOM 105 N GLN A 134 61.965 -3.198 -6.683 1.00 0.00 N ATOM 106 CA GLN A 134 61.419 -4.436 -7.245 1.00 0.00 C ATOM 107 C GLN A 134 60.182 -4.905 -6.470 1.00 0.00 C ATOM 108 O GLN A 134 59.160 -5.236 -7.073 1.00 0.00 O ATOM 109 CB GLN A 134 62.483 -5.534 -7.231 1.00 0.00 C ATOM 110 CG GLN A 134 63.622 -5.154 -8.177 1.00 0.00 C ATOM 111 CD GLN A 134 64.679 -6.253 -8.189 1.00 0.00 C ATOM 112 OE1 GLN A 134 65.560 -6.278 -7.330 1.00 0.00 O ATOM 113 NE2 GLN A 134 64.643 -7.170 -9.117 1.00 0.00 N ATOM 0 H GLN A 134 62.955 -3.240 -6.441 1.00 0.00 H new ATOM 0 HA GLN A 134 61.119 -4.231 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.866 -5.670 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.044 -6.484 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.234 -5.001 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.069 -4.212 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 134 63.912 -7.148 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 134 65.346 -7.909 -9.131 1.00 0.00 H new ATOM 122 N LEU A 135 60.246 -4.846 -5.140 1.00 0.00 N ATOM 123 CA LEU A 135 59.138 -5.325 -4.314 1.00 0.00 C ATOM 124 C LEU A 135 57.855 -4.533 -4.571 1.00 0.00 C ATOM 125 O LEU A 135 56.825 -5.110 -4.921 1.00 0.00 O ATOM 126 CB LEU A 135 59.505 -5.179 -2.841 1.00 0.00 C ATOM 127 CG LEU A 135 60.679 -6.092 -2.501 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.188 -5.747 -1.100 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.211 -7.547 -2.535 1.00 0.00 C ATOM 0 H LEU A 135 61.041 -4.477 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 135 58.961 -6.369 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.765 -4.143 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.647 -5.430 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 135 61.482 -5.954 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.028 -6.395 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.513 -4.707 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.387 -5.893 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 135 61.047 -8.204 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.414 -7.690 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.839 -7.786 -3.531 1.00 0.00 H new ATOM 141 N PHE A 136 57.928 -3.212 -4.407 1.00 0.00 N ATOM 142 CA PHE A 136 56.790 -2.345 -4.730 1.00 0.00 C ATOM 143 C PHE A 136 56.608 -2.039 -6.217 1.00 0.00 C ATOM 144 O PHE A 136 55.473 -1.867 -6.665 1.00 0.00 O ATOM 145 CB PHE A 136 56.698 -1.105 -3.822 1.00 0.00 C ATOM 146 CG PHE A 136 57.987 -0.570 -3.247 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.969 0.064 -4.043 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.177 -0.684 -1.851 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.143 0.575 -3.428 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.344 -0.175 -1.245 1.00 0.00 C ATOM 151 CZ PHE A 136 60.327 0.455 -2.032 1.00 0.00 C ATOM 0 H PHE A 136 58.751 -2.722 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 136 55.916 -2.951 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.225 -0.305 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.032 -1.343 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.828 0.159 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.423 -1.164 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.899 1.058 -4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.484 -0.268 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.221 0.846 -1.569 1.00 0.00 H new ATOM 161 N ALA A 137 57.682 -2.061 -7.000 1.00 0.00 N ATOM 162 CA ALA A 137 57.553 -1.852 -8.453 1.00 0.00 C ATOM 163 C ALA A 137 56.631 -2.912 -9.068 1.00 0.00 C ATOM 164 O ALA A 137 56.021 -2.686 -10.113 1.00 0.00 O ATOM 165 CB ALA A 137 58.920 -1.905 -9.138 1.00 0.00 C ATOM 0 H ALA A 137 58.635 -2.217 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 137 57.120 -0.864 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.796 -1.748 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.563 -1.125 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.376 -2.880 -8.965 1.00 0.00 H new ATOM 171 N ASP A 138 56.539 -4.073 -8.408 1.00 0.00 N ATOM 172 CA ASP A 138 55.508 -5.068 -8.727 1.00 0.00 C ATOM 173 C ASP A 138 54.108 -4.430 -8.682 1.00 0.00 C ATOM 174 O ASP A 138 53.860 -3.545 -7.861 1.00 0.00 O ATOM 175 CB ASP A 138 55.584 -6.208 -7.693 1.00 0.00 C ATOM 176 CG ASP A 138 55.141 -7.549 -8.288 1.00 0.00 C ATOM 177 OD1 ASP A 138 54.618 -7.559 -9.388 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.337 -8.554 -7.624 1.00 0.00 O ATOM 0 H ASP A 138 57.165 -4.346 -7.651 1.00 0.00 H new ATOM 0 HA ASP A 138 55.681 -5.454 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.605 -6.295 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.954 -5.965 -6.837 1.00 0.00 H new ATOM 183 N PRO A 139 53.205 -4.845 -9.544 1.00 0.00 N ATOM 184 CA PRO A 139 51.750 -4.550 -9.353 1.00 0.00 C ATOM 185 C PRO A 139 51.199 -5.223 -8.101 1.00 0.00 C ATOM 186 O PRO A 139 51.817 -6.143 -7.563 1.00 0.00 O ATOM 187 CB PRO A 139 51.068 -5.095 -10.620 1.00 0.00 C ATOM 188 CG PRO A 139 52.092 -5.938 -11.297 1.00 0.00 C ATOM 189 CD PRO A 139 53.443 -5.352 -10.906 1.00 0.00 C ATOM 0 HA PRO A 139 51.570 -3.484 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.184 -5.680 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.739 -4.283 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.012 -6.978 -10.981 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.958 -5.922 -12.379 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.230 -6.106 -10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.749 -4.556 -11.585 1.00 0.00 H new ATOM 197 N ASN A 140 49.996 -4.801 -7.695 1.00 0.00 N ATOM 198 CA ASN A 140 49.451 -5.036 -6.339 1.00 0.00 C ATOM 199 C ASN A 140 50.463 -5.572 -5.314 1.00 0.00 C ATOM 200 O ASN A 140 50.476 -6.770 -5.016 1.00 0.00 O ATOM 201 CB ASN A 140 48.275 -6.022 -6.436 1.00 0.00 C ATOM 202 CG ASN A 140 47.249 -5.540 -7.460 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.091 -4.336 -7.667 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.551 -6.415 -8.129 1.00 0.00 N ATOM 0 H ASN A 140 49.361 -4.280 -8.300 1.00 0.00 H new ATOM 0 HA ASN A 140 49.143 -4.057 -5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.643 -7.008 -6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.801 -6.127 -5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.873 -6.103 -8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.683 -7.412 -7.957 1.00 0.00 H new ATOM 211 N LEU A 141 51.329 -4.701 -4.798 1.00 0.00 N ATOM 212 CA LEU A 141 51.956 -4.974 -3.505 1.00 0.00 C ATOM 213 C LEU A 141 51.408 -4.032 -2.419 1.00 0.00 C ATOM 214 O LEU A 141 51.496 -4.343 -1.232 1.00 0.00 O ATOM 215 CB LEU A 141 53.478 -4.801 -3.615 1.00 0.00 C ATOM 216 CG LEU A 141 54.160 -5.302 -2.333 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.060 -6.833 -2.241 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.634 -4.881 -2.335 1.00 0.00 C ATOM 0 H LEU A 141 51.607 -3.825 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 141 51.724 -6.001 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.853 -5.354 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.722 -3.751 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 141 53.657 -4.863 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.547 -7.175 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.011 -7.129 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.551 -7.282 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.115 -5.238 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.134 -5.312 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.702 -3.794 -2.379 1.00 0.00 H new ATOM 230 N ILE A 142 50.722 -2.953 -2.826 1.00 0.00 N ATOM 231 CA ILE A 142 50.132 -2.035 -1.854 1.00 0.00 C ATOM 232 C ILE A 142 49.006 -2.717 -1.070 1.00 0.00 C ATOM 233 O ILE A 142 48.809 -2.415 0.104 1.00 0.00 O ATOM 234 CB ILE A 142 49.655 -0.727 -2.542 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.873 0.202 -2.756 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.616 0.006 -1.662 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.453 1.457 -3.538 1.00 0.00 C ATOM 0 H ILE A 142 50.567 -2.702 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 142 50.902 -1.756 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 142 49.193 -0.981 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.294 0.489 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.654 -0.330 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.295 0.920 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.754 -0.642 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.065 0.257 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.319 2.103 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.053 1.164 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.688 1.995 -2.978 1.00 0.00 H new ATOM 249 N GLU A 143 48.282 -3.651 -1.693 1.00 0.00 N ATOM 250 CA GLU A 143 47.098 -4.227 -1.042 1.00 0.00 C ATOM 251 C GLU A 143 47.486 -5.014 0.209 1.00 0.00 C ATOM 252 O GLU A 143 46.983 -4.752 1.302 1.00 0.00 O ATOM 253 CB GLU A 143 46.387 -5.167 -2.015 1.00 0.00 C ATOM 254 CG GLU A 143 45.690 -4.345 -3.099 1.00 0.00 C ATOM 255 CD GLU A 143 44.925 -5.264 -4.047 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.311 -6.204 -3.568 1.00 0.00 O ATOM 257 OE2 GLU A 143 44.965 -5.014 -5.241 1.00 0.00 O ATOM 0 H GLU A 143 48.485 -4.018 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 143 46.439 -3.409 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.105 -5.851 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.658 -5.777 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.005 -3.632 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.426 -3.767 -3.657 1.00 0.00 H new ATOM 264 N ASN A 144 48.479 -5.888 0.073 1.00 0.00 N ATOM 265 CA ASN A 144 49.059 -6.573 1.231 1.00 0.00 C ATOM 266 C ASN A 144 49.565 -5.551 2.252 1.00 0.00 C ATOM 267 O ASN A 144 49.432 -5.736 3.462 1.00 0.00 O ATOM 268 CB ASN A 144 50.223 -7.454 0.769 1.00 0.00 C ATOM 269 CG ASN A 144 49.754 -8.443 -0.298 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.596 -8.860 -0.295 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.578 -8.808 -1.243 1.00 0.00 N ATOM 0 H ASN A 144 48.899 -6.140 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 144 48.293 -7.190 1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.023 -6.830 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.637 -7.996 1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.262 -9.439 -1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.537 -8.462 -1.245 1.00 0.00 H new ATOM 278 N LEU A 145 50.144 -4.478 1.731 1.00 0.00 N ATOM 279 CA LEU A 145 50.624 -3.379 2.558 1.00 0.00 C ATOM 280 C LEU A 145 49.485 -2.659 3.284 1.00 0.00 C ATOM 281 O LEU A 145 49.734 -1.935 4.246 1.00 0.00 O ATOM 282 CB LEU A 145 51.453 -2.413 1.719 1.00 0.00 C ATOM 283 CG LEU A 145 52.690 -3.158 1.210 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.414 -2.304 0.168 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.632 -3.453 2.386 1.00 0.00 C ATOM 0 H LEU A 145 50.294 -4.345 0.731 1.00 0.00 H new ATOM 0 HA LEU A 145 51.263 -3.800 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.865 -2.037 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.748 -1.549 2.315 1.00 0.00 H new ATOM 0 HG LEU A 145 52.383 -4.097 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.294 -2.837 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.744 -2.104 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.721 -1.361 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.512 -3.983 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.939 -2.516 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.114 -4.070 3.121 1.00 0.00 H new ATOM 297 N LYS A 146 48.272 -2.708 2.734 1.00 0.00 N ATOM 298 CA LYS A 146 47.113 -2.152 3.434 1.00 0.00 C ATOM 299 C LYS A 146 46.869 -2.885 4.761 1.00 0.00 C ATOM 300 O LYS A 146 46.678 -2.254 5.802 1.00 0.00 O ATOM 301 CB LYS A 146 45.851 -2.257 2.572 1.00 0.00 C ATOM 302 CG LYS A 146 45.971 -1.326 1.364 1.00 0.00 C ATOM 303 CD LYS A 146 44.751 -1.506 0.456 1.00 0.00 C ATOM 304 CE LYS A 146 43.538 -0.820 1.087 1.00 0.00 C ATOM 305 NZ LYS A 146 43.708 0.659 1.012 1.00 0.00 N ATOM 0 H LYS A 146 48.067 -3.119 1.823 1.00 0.00 H new ATOM 0 HA LYS A 146 47.329 -1.103 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.712 -3.285 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.973 -1.992 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.041 -0.290 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.884 -1.546 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.951 -1.081 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.547 -2.567 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 146 42.627 -1.119 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.430 -1.132 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 42.777 1.119 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 44.299 0.981 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 44.167 0.911 0.114 1.00 0.00 H new ATOM 319 N LYS A 147 46.831 -4.220 4.707 1.00 0.00 N ATOM 320 CA LYS A 147 46.345 -4.997 5.855 1.00 0.00 C ATOM 321 C LYS A 147 47.408 -5.265 6.941 1.00 0.00 C ATOM 322 O LYS A 147 47.122 -5.089 8.126 1.00 0.00 O ATOM 323 CB LYS A 147 45.793 -6.335 5.362 1.00 0.00 C ATOM 324 CG LYS A 147 44.556 -6.089 4.496 1.00 0.00 C ATOM 325 CD LYS A 147 43.936 -7.431 4.100 1.00 0.00 C ATOM 326 CE LYS A 147 42.765 -7.190 3.145 1.00 0.00 C ATOM 327 NZ LYS A 147 41.572 -6.754 3.924 1.00 0.00 N ATOM 0 H LYS A 147 47.123 -4.776 3.903 1.00 0.00 H new ATOM 0 HA LYS A 147 45.573 -4.388 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.553 -6.864 4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.536 -6.969 6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.830 -5.488 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 147 44.829 -5.525 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 147 44.685 -8.063 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.592 -7.961 4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.031 -6.430 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 147 42.539 -8.102 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 40.771 -6.606 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 41.325 -7.486 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.786 -5.865 4.419 1.00 0.00 H new ATOM 341 N ASN A 148 48.626 -5.677 6.553 1.00 0.00 N ATOM 342 CA ASN A 148 49.560 -6.233 7.560 1.00 0.00 C ATOM 343 C ASN A 148 50.601 -5.230 8.114 1.00 0.00 C ATOM 344 O ASN A 148 51.121 -5.450 9.207 1.00 0.00 O ATOM 345 CB ASN A 148 50.297 -7.421 6.898 1.00 0.00 C ATOM 346 CG ASN A 148 51.456 -7.938 7.758 1.00 0.00 C ATOM 347 OD1 ASN A 148 52.527 -8.241 7.233 1.00 0.00 O ATOM 348 ND2 ASN A 148 51.307 -8.058 9.046 1.00 0.00 N ATOM 0 H ASN A 148 48.981 -5.642 5.597 1.00 0.00 H new ATOM 0 HA ASN A 148 48.963 -6.527 8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.590 -8.231 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.679 -7.112 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.077 -8.403 9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 148 50.420 -7.807 9.482 1.00 0.00 H new ATOM 355 N PRO A 149 50.875 -4.134 7.451 1.00 0.00 N ATOM 356 CA PRO A 149 51.855 -3.142 7.972 1.00 0.00 C ATOM 357 C PRO A 149 51.219 -1.823 8.404 1.00 0.00 C ATOM 358 O PRO A 149 50.240 -1.369 7.813 1.00 0.00 O ATOM 359 CB PRO A 149 52.795 -2.935 6.791 1.00 0.00 C ATOM 360 CG PRO A 149 51.965 -3.183 5.574 1.00 0.00 C ATOM 361 CD PRO A 149 50.680 -3.903 6.019 1.00 0.00 C ATOM 0 HA PRO A 149 52.347 -3.500 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.205 -1.925 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.640 -3.622 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.724 -2.243 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.514 -3.791 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.796 -3.293 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.541 -4.840 5.480 1.00 0.00 H new ATOM 369 N LYS A 150 51.840 -1.178 9.396 1.00 0.00 N ATOM 370 CA LYS A 150 51.452 0.186 9.789 1.00 0.00 C ATOM 371 C LYS A 150 51.553 1.152 8.595 1.00 0.00 C ATOM 372 O LYS A 150 50.907 2.199 8.580 1.00 0.00 O ATOM 373 CB LYS A 150 52.364 0.703 10.909 1.00 0.00 C ATOM 374 CG LYS A 150 52.418 -0.303 12.063 1.00 0.00 C ATOM 375 CD LYS A 150 53.267 0.269 13.201 1.00 0.00 C ATOM 376 CE LYS A 150 52.469 1.335 13.955 1.00 0.00 C ATOM 377 NZ LYS A 150 51.495 0.672 14.869 1.00 0.00 N ATOM 0 H LYS A 150 52.608 -1.572 9.940 1.00 0.00 H new ATOM 0 HA LYS A 150 50.420 0.144 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.368 0.873 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.996 1.663 11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.411 -0.518 12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.842 -1.246 11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 150 53.562 -0.528 13.883 1.00 0.00 H new ATOM 0 HD3 LYS A 150 54.184 0.702 12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.143 1.973 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 150 51.943 1.978 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 50.589 1.182 14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.349 -0.312 14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 51.867 0.683 15.840 1.00 0.00 H new ATOM 391 N THR A 151 52.331 0.766 7.581 1.00 0.00 N ATOM 392 CA THR A 151 52.554 1.607 6.403 1.00 0.00 C ATOM 393 C THR A 151 51.228 1.926 5.679 1.00 0.00 C ATOM 394 O THR A 151 51.116 2.920 4.945 1.00 0.00 O ATOM 395 CB THR A 151 53.510 0.875 5.448 1.00 0.00 C ATOM 396 OG1 THR A 151 52.885 -0.306 4.973 1.00 0.00 O ATOM 397 CG2 THR A 151 54.808 0.504 6.177 1.00 0.00 C ATOM 0 H THR A 151 52.820 -0.129 7.553 1.00 0.00 H new ATOM 0 HA THR A 151 52.990 2.553 6.724 1.00 0.00 H new ATOM 0 HB THR A 151 53.748 1.532 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 151 52.667 -0.201 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.476 -0.014 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.293 1.410 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.578 -0.148 7.020 1.00 0.00 H new ATOM 405 N SER A 152 50.192 1.137 5.963 1.00 0.00 N ATOM 406 CA SER A 152 48.889 1.327 5.324 1.00 0.00 C ATOM 407 C SER A 152 48.269 2.687 5.650 1.00 0.00 C ATOM 408 O SER A 152 47.337 3.123 4.967 1.00 0.00 O ATOM 409 CB SER A 152 47.945 0.222 5.783 1.00 0.00 C ATOM 410 OG SER A 152 48.144 -0.022 7.168 1.00 0.00 O ATOM 0 H SER A 152 50.228 0.364 6.628 1.00 0.00 H new ATOM 0 HA SER A 152 49.041 1.288 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.911 0.512 5.598 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.128 -0.688 5.212 1.00 0.00 H new ATOM 0 HG SER A 152 48.791 -0.749 7.282 1.00 0.00 H new ATOM 416 N GLU A 153 48.814 3.392 6.646 1.00 0.00 N ATOM 417 CA GLU A 153 48.344 4.740 6.953 1.00 0.00 C ATOM 418 C GLU A 153 48.436 5.627 5.712 1.00 0.00 C ATOM 419 O GLU A 153 47.423 6.161 5.245 1.00 0.00 O ATOM 420 CB GLU A 153 49.185 5.339 8.083 1.00 0.00 C ATOM 421 CG GLU A 153 48.675 4.822 9.431 1.00 0.00 C ATOM 422 CD GLU A 153 49.767 4.938 10.493 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.498 5.915 10.467 1.00 0.00 O ATOM 424 OE2 GLU A 153 49.855 4.045 11.320 1.00 0.00 O ATOM 0 H GLU A 153 49.569 3.056 7.243 1.00 0.00 H new ATOM 0 HA GLU A 153 47.303 4.686 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.233 5.070 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.129 6.427 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.798 5.392 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.362 3.782 9.334 1.00 0.00 H new ATOM 431 N MET A 154 49.603 5.610 5.061 1.00 0.00 N ATOM 432 CA MET A 154 49.828 6.502 3.927 1.00 0.00 C ATOM 433 C MET A 154 48.905 6.146 2.775 1.00 0.00 C ATOM 434 O MET A 154 48.577 7.005 1.956 1.00 0.00 O ATOM 435 CB MET A 154 51.261 6.427 3.414 1.00 0.00 C ATOM 436 CG MET A 154 52.238 6.829 4.516 1.00 0.00 C ATOM 437 SD MET A 154 53.920 6.871 3.841 1.00 0.00 S ATOM 438 CE MET A 154 54.003 5.145 3.300 1.00 0.00 C ATOM 0 H MET A 154 50.388 5.002 5.295 1.00 0.00 H new ATOM 0 HA MET A 154 49.627 7.511 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.481 5.415 3.075 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.382 7.085 2.553 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.970 7.807 4.916 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.183 6.120 5.342 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.041 4.813 3.301 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.423 4.522 3.981 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.595 5.059 2.293 1.00 0.00 H new ATOM 448 N MET A 155 48.547 4.861 2.652 1.00 0.00 N ATOM 449 CA MET A 155 47.733 4.419 1.519 1.00 0.00 C ATOM 450 C MET A 155 46.323 5.013 1.578 1.00 0.00 C ATOM 451 O MET A 155 45.774 5.424 0.555 1.00 0.00 O ATOM 452 CB MET A 155 47.630 2.887 1.516 1.00 0.00 C ATOM 453 CG MET A 155 49.033 2.267 1.459 1.00 0.00 C ATOM 454 SD MET A 155 49.799 2.616 -0.147 1.00 0.00 S ATOM 455 CE MET A 155 51.502 2.233 0.325 1.00 0.00 C ATOM 0 H MET A 155 48.803 4.125 3.310 1.00 0.00 H new ATOM 0 HA MET A 155 48.219 4.765 0.607 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.109 2.547 2.411 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.042 2.555 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.651 2.670 2.261 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.971 1.190 1.615 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.159 2.383 -0.531 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.810 2.890 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.564 1.195 0.653 1.00 0.00 H new ATOM 465 N LYS A 156 45.743 5.054 2.780 1.00 0.00 N ATOM 466 CA LYS A 156 44.312 5.323 2.916 1.00 0.00 C ATOM 467 C LYS A 156 44.001 6.822 2.986 1.00 0.00 C ATOM 468 O LYS A 156 42.855 7.226 2.773 1.00 0.00 O ATOM 469 CB LYS A 156 43.800 4.651 4.188 1.00 0.00 C ATOM 470 CG LYS A 156 43.760 3.135 3.985 1.00 0.00 C ATOM 471 CD LYS A 156 43.238 2.462 5.257 1.00 0.00 C ATOM 472 CE LYS A 156 41.735 2.718 5.391 1.00 0.00 C ATOM 473 NZ LYS A 156 41.176 1.849 6.463 1.00 0.00 N ATOM 0 H LYS A 156 46.235 4.906 3.661 1.00 0.00 H new ATOM 0 HA LYS A 156 43.816 4.924 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.448 4.899 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.805 5.022 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.117 2.888 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.757 2.763 3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.433 1.390 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 156 43.763 2.852 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 156 41.554 3.767 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 156 41.235 2.513 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 40.155 2.023 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.337 0.851 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.646 2.065 7.365 1.00 0.00 H new ATOM 487 N ASP A 157 45.014 7.641 3.282 1.00 0.00 N ATOM 488 CA ASP A 157 44.809 9.094 3.331 1.00 0.00 C ATOM 489 C ASP A 157 45.677 9.834 2.299 1.00 0.00 C ATOM 490 O ASP A 157 45.179 10.223 1.242 1.00 0.00 O ATOM 491 CB ASP A 157 45.079 9.614 4.753 1.00 0.00 C ATOM 492 CG ASP A 157 43.768 9.793 5.515 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.997 10.659 5.133 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.553 9.061 6.468 1.00 0.00 O ATOM 0 H ASP A 157 45.965 7.334 3.487 1.00 0.00 H new ATOM 0 HA ASP A 157 43.770 9.295 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.724 8.915 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.611 10.564 4.704 1.00 0.00 H new ATOM 499 N PRO A 158 46.947 10.026 2.567 1.00 0.00 N ATOM 500 CA PRO A 158 47.753 11.087 1.878 1.00 0.00 C ATOM 501 C PRO A 158 47.924 10.864 0.374 1.00 0.00 C ATOM 502 O PRO A 158 47.950 9.732 -0.108 1.00 0.00 O ATOM 503 CB PRO A 158 49.112 11.048 2.586 1.00 0.00 C ATOM 504 CG PRO A 158 49.200 9.686 3.174 1.00 0.00 C ATOM 505 CD PRO A 158 47.773 9.307 3.555 1.00 0.00 C ATOM 0 HA PRO A 158 47.247 12.050 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.927 11.229 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.178 11.816 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.615 8.977 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.853 9.678 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.616 8.230 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.536 9.612 4.574 1.00 0.00 H new ATOM 513 N GLN A 159 48.184 11.965 -0.334 1.00 0.00 N ATOM 514 CA GLN A 159 48.488 11.923 -1.770 1.00 0.00 C ATOM 515 C GLN A 159 49.732 11.069 -2.064 1.00 0.00 C ATOM 516 O GLN A 159 49.935 10.628 -3.200 1.00 0.00 O ATOM 517 CB GLN A 159 48.708 13.340 -2.301 1.00 0.00 C ATOM 518 CG GLN A 159 47.356 14.016 -2.550 1.00 0.00 C ATOM 519 CD GLN A 159 46.659 13.370 -3.744 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.275 13.170 -4.791 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.403 13.030 -3.647 1.00 0.00 N ATOM 0 H GLN A 159 48.191 12.904 0.065 1.00 0.00 H new ATOM 0 HA GLN A 159 47.635 11.466 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.289 13.921 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.284 13.306 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.729 13.930 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.501 15.080 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.895 13.197 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.929 12.597 -4.440 1.00 0.00 H new ATOM 530 N LEU A 160 50.535 10.799 -1.028 1.00 0.00 N ATOM 531 CA LEU A 160 51.842 10.177 -1.222 1.00 0.00 C ATOM 532 C LEU A 160 51.711 8.850 -1.983 1.00 0.00 C ATOM 533 O LEU A 160 52.658 8.406 -2.626 1.00 0.00 O ATOM 534 CB LEU A 160 52.502 9.921 0.136 1.00 0.00 C ATOM 535 CG LEU A 160 53.984 9.584 -0.064 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.739 10.834 -0.522 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.575 9.089 1.257 1.00 0.00 C ATOM 0 H LEU A 160 50.302 11.001 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 160 52.459 10.857 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.402 10.801 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 160 51.998 9.100 0.647 1.00 0.00 H new ATOM 0 HG LEU A 160 54.079 8.806 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.792 10.592 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.319 11.188 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.644 11.614 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.629 8.849 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.478 9.868 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.040 8.197 1.583 1.00 0.00 H new ATOM 549 N VAL A 161 50.523 8.229 -1.916 1.00 0.00 N ATOM 550 CA VAL A 161 50.269 6.973 -2.631 1.00 0.00 C ATOM 551 C VAL A 161 50.519 7.144 -4.129 1.00 0.00 C ATOM 552 O VAL A 161 51.361 6.461 -4.708 1.00 0.00 O ATOM 553 CB VAL A 161 48.814 6.521 -2.426 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.655 5.074 -2.907 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.427 6.600 -0.945 1.00 0.00 C ATOM 0 H VAL A 161 49.729 8.575 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 161 50.949 6.221 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 161 48.163 7.181 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.623 4.754 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.908 5.012 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.320 4.426 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.394 6.276 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.083 5.953 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.529 7.628 -0.597 1.00 0.00 H new ATOM 565 N ALA A 162 49.831 8.117 -4.735 1.00 0.00 N ATOM 566 CA ALA A 162 49.917 8.318 -6.183 1.00 0.00 C ATOM 567 C ALA A 162 51.358 8.615 -6.576 1.00 0.00 C ATOM 568 O ALA A 162 51.946 7.929 -7.417 1.00 0.00 O ATOM 569 CB ALA A 162 49.031 9.497 -6.594 1.00 0.00 C ATOM 0 H ALA A 162 49.215 8.770 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 162 49.579 7.413 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.098 9.644 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 162 47.997 9.288 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.367 10.400 -6.084 1.00 0.00 H new ATOM 575 N LYS A 163 51.970 9.530 -5.821 1.00 0.00 N ATOM 576 CA LYS A 163 53.347 9.945 -6.091 1.00 0.00 C ATOM 577 C LYS A 163 54.276 8.729 -6.121 1.00 0.00 C ATOM 578 O LYS A 163 54.904 8.446 -7.141 1.00 0.00 O ATOM 579 CB LYS A 163 53.820 10.923 -5.012 1.00 0.00 C ATOM 580 CG LYS A 163 52.939 12.177 -5.025 1.00 0.00 C ATOM 581 CD LYS A 163 53.217 12.988 -6.294 1.00 0.00 C ATOM 582 CE LYS A 163 52.477 14.324 -6.217 1.00 0.00 C ATOM 583 NZ LYS A 163 52.610 15.040 -7.517 1.00 0.00 N ATOM 0 H LYS A 163 51.537 9.995 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 163 53.375 10.436 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.776 10.447 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.860 11.197 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.887 11.895 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.140 12.784 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.288 13.159 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.893 12.431 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.425 14.157 -5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.886 14.933 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.107 15.949 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 53.616 15.212 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.200 14.460 -8.276 1.00 0.00 H new ATOM 597 N LEU A 164 54.197 7.911 -5.071 1.00 0.00 N ATOM 598 CA LEU A 164 55.052 6.733 -4.948 1.00 0.00 C ATOM 599 C LEU A 164 54.826 5.748 -6.094 1.00 0.00 C ATOM 600 O LEU A 164 55.766 5.119 -6.563 1.00 0.00 O ATOM 601 CB LEU A 164 54.770 6.029 -3.619 1.00 0.00 C ATOM 602 CG LEU A 164 55.296 6.881 -2.461 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.795 6.303 -1.136 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.827 6.869 -2.469 1.00 0.00 C ATOM 0 H LEU A 164 53.549 8.044 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 164 56.088 7.070 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.699 5.864 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.247 5.049 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 164 54.939 7.905 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.169 6.909 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.705 6.308 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.154 5.280 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.200 7.476 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.183 5.845 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.189 7.277 -3.413 1.00 0.00 H new ATOM 616 N ILE A 165 53.579 5.635 -6.555 1.00 0.00 N ATOM 617 CA ILE A 165 53.231 4.624 -7.554 1.00 0.00 C ATOM 618 C ILE A 165 53.989 4.877 -8.860 1.00 0.00 C ATOM 619 O ILE A 165 54.507 3.939 -9.474 1.00 0.00 O ATOM 620 CB ILE A 165 51.703 4.601 -7.766 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.067 3.955 -6.528 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.332 3.776 -9.010 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.549 4.124 -6.558 1.00 0.00 C ATOM 0 H ILE A 165 52.801 6.224 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 165 53.532 3.640 -7.194 1.00 0.00 H new ATOM 0 HB ILE A 165 51.342 5.619 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.320 2.895 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.472 4.410 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.249 3.776 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.800 4.215 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.683 2.752 -8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.114 3.660 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.301 5.185 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.147 3.647 -7.452 1.00 0.00 H new ATOM 635 N GLY A 166 54.146 6.147 -9.228 1.00 0.00 N ATOM 636 CA GLY A 166 54.958 6.485 -10.391 1.00 0.00 C ATOM 637 C GLY A 166 56.426 6.253 -10.060 1.00 0.00 C ATOM 638 O GLY A 166 57.150 5.563 -10.784 1.00 0.00 O ATOM 0 H GLY A 166 53.730 6.944 -8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.664 5.874 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.796 7.525 -10.673 1.00 0.00 H new ATOM 642 N TYR A 167 56.840 6.824 -8.931 1.00 0.00 N ATOM 643 CA TYR A 167 58.189 6.635 -8.401 1.00 0.00 C ATOM 644 C TYR A 167 58.485 5.161 -8.083 1.00 0.00 C ATOM 645 O TYR A 167 59.638 4.786 -7.883 1.00 0.00 O ATOM 646 CB TYR A 167 58.335 7.513 -7.149 1.00 0.00 C ATOM 647 CG TYR A 167 59.711 7.568 -6.539 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.760 8.233 -7.218 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.934 7.014 -5.257 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.037 8.332 -6.621 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.211 7.110 -4.658 1.00 0.00 C ATOM 652 CZ TYR A 167 62.266 7.768 -5.342 1.00 0.00 C ATOM 653 OH TYR A 167 63.518 7.863 -4.764 1.00 0.00 O ATOM 0 H TYR A 167 56.252 7.429 -8.359 1.00 0.00 H new ATOM 0 HA TYR A 167 58.917 6.931 -9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.031 8.528 -7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.638 7.152 -6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.584 8.665 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.129 6.518 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.838 8.838 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.383 6.683 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 167 63.757 8.807 -4.655 1.00 0.00 H new ATOM 663 N LYS A 168 57.435 4.346 -7.986 1.00 0.00 N ATOM 664 CA LYS A 168 57.596 2.905 -7.778 1.00 0.00 C ATOM 665 C LYS A 168 58.016 2.188 -9.066 1.00 0.00 C ATOM 666 O LYS A 168 58.965 1.403 -9.067 1.00 0.00 O ATOM 667 CB LYS A 168 56.272 2.316 -7.270 1.00 0.00 C ATOM 668 CG LYS A 168 56.238 2.359 -5.732 1.00 0.00 C ATOM 669 CD LYS A 168 54.830 2.017 -5.203 1.00 0.00 C ATOM 670 CE LYS A 168 54.352 0.651 -5.719 1.00 0.00 C ATOM 671 NZ LYS A 168 53.037 0.811 -6.402 1.00 0.00 N ATOM 0 H LYS A 168 56.465 4.657 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 168 58.385 2.755 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.433 2.880 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.164 1.288 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.964 1.653 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.530 3.350 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.841 2.012 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.126 2.790 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.085 0.235 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.261 -0.051 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.737 -0.104 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.328 1.142 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.127 1.506 -7.170 1.00 0.00 H new ATOM 685 N GLN A 169 57.306 2.472 -10.156 1.00 0.00 N ATOM 686 CA GLN A 169 57.418 1.652 -11.365 1.00 0.00 C ATOM 687 C GLN A 169 58.739 1.886 -12.110 1.00 0.00 C ATOM 688 O GLN A 169 59.440 0.933 -12.454 1.00 0.00 O ATOM 689 CB GLN A 169 56.249 1.954 -12.304 1.00 0.00 C ATOM 690 CG GLN A 169 54.942 1.488 -11.660 1.00 0.00 C ATOM 691 CD GLN A 169 53.780 1.703 -12.624 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.589 0.918 -13.552 1.00 0.00 O ATOM 693 NE2 GLN A 169 52.989 2.728 -12.458 1.00 0.00 N ATOM 0 H GLN A 169 56.654 3.253 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 169 57.395 0.609 -11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.203 3.023 -12.512 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.396 1.449 -13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.014 0.434 -11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.766 2.039 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.150 3.377 -11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.210 2.880 -13.099 1.00 0.00 H new ATOM 702 N ASN A 170 59.072 3.156 -12.349 1.00 0.00 N ATOM 703 CA ASN A 170 60.167 3.489 -13.279 1.00 0.00 C ATOM 704 C ASN A 170 61.517 3.774 -12.585 1.00 0.00 C ATOM 705 O ASN A 170 62.560 3.352 -13.088 1.00 0.00 O ATOM 706 CB ASN A 170 59.770 4.712 -14.108 1.00 0.00 C ATOM 707 CG ASN A 170 60.636 4.795 -15.360 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.827 3.794 -16.052 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.173 5.935 -15.697 1.00 0.00 N ATOM 0 H ASN A 170 58.613 3.961 -11.924 1.00 0.00 H new ATOM 0 HA ASN A 170 60.316 2.608 -13.904 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.718 4.647 -14.387 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.887 5.618 -13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 170 61.752 5.998 -16.534 1.00 0.00 H new ATOM 0 HD22 ASN A 170 61.014 6.763 -15.123 1.00 0.00 H new ATOM 716 N PRO A 171 61.532 4.454 -11.458 1.00 0.00 N ATOM 717 CA PRO A 171 62.788 5.048 -10.914 1.00 0.00 C ATOM 718 C PRO A 171 63.425 4.247 -9.779 1.00 0.00 C ATOM 719 O PRO A 171 63.067 4.405 -8.612 1.00 0.00 O ATOM 720 CB PRO A 171 62.370 6.434 -10.446 1.00 0.00 C ATOM 721 CG PRO A 171 60.933 6.317 -10.092 1.00 0.00 C ATOM 722 CD PRO A 171 60.377 5.054 -10.768 1.00 0.00 C ATOM 0 HA PRO A 171 63.566 5.061 -11.677 1.00 0.00 H new ATOM 0 HB2 PRO A 171 62.961 6.753 -9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.522 7.175 -11.231 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.811 6.255 -9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.386 7.199 -10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 171 59.954 4.367 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.581 5.300 -11.471 1.00 0.00 H new ATOM 730 N GLN A 172 64.418 3.422 -10.126 1.00 0.00 N ATOM 731 CA GLN A 172 65.230 2.702 -9.120 1.00 0.00 C ATOM 732 C GLN A 172 65.714 3.617 -7.967 1.00 0.00 C ATOM 733 O GLN A 172 66.127 3.129 -6.911 1.00 0.00 O ATOM 734 CB GLN A 172 66.446 2.063 -9.796 1.00 0.00 C ATOM 735 CG GLN A 172 65.982 1.060 -10.857 1.00 0.00 C ATOM 736 CD GLN A 172 65.356 -0.160 -10.188 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.860 -0.641 -9.173 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.280 -0.693 -10.701 1.00 0.00 N ATOM 0 H GLN A 172 64.684 3.232 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 172 64.585 1.939 -8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.064 2.834 -10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.064 1.560 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.258 1.531 -11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.827 0.753 -11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.864 -0.293 -11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.856 -1.509 -10.261 1.00 0.00 H new ATOM 747 N ALA A 173 65.591 4.940 -8.143 1.00 0.00 N ATOM 748 CA ALA A 173 66.107 5.904 -7.176 1.00 0.00 C ATOM 749 C ALA A 173 65.466 5.739 -5.783 1.00 0.00 C ATOM 750 O ALA A 173 65.939 6.338 -4.819 1.00 0.00 O ATOM 751 CB ALA A 173 65.811 7.316 -7.682 1.00 0.00 C ATOM 0 H ALA A 173 65.136 5.363 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 173 67.178 5.730 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.192 8.046 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.295 7.466 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.734 7.445 -7.793 1.00 0.00 H new ATOM 757 N ILE A 174 64.426 4.892 -5.662 1.00 0.00 N ATOM 758 CA ILE A 174 63.682 4.783 -4.400 1.00 0.00 C ATOM 759 C ILE A 174 64.616 4.393 -3.250 1.00 0.00 C ATOM 760 O ILE A 174 64.384 4.771 -2.102 1.00 0.00 O ATOM 761 CB ILE A 174 62.563 3.733 -4.512 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.714 4.018 -5.779 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.689 3.791 -3.247 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.436 3.164 -5.821 1.00 0.00 C ATOM 0 H ILE A 174 64.089 4.285 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 174 63.242 5.759 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 174 62.992 2.735 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.445 5.074 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.312 3.819 -6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.894 3.049 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.302 3.580 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.251 4.785 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.873 3.396 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.704 2.108 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.824 3.382 -4.946 1.00 0.00 H new ATOM 776 N GLY A 175 65.687 3.661 -3.574 1.00 0.00 N ATOM 777 CA GLY A 175 66.597 3.141 -2.552 1.00 0.00 C ATOM 778 C GLY A 175 67.149 4.264 -1.665 1.00 0.00 C ATOM 779 O GLY A 175 67.479 4.037 -0.499 1.00 0.00 O ATOM 0 H GLY A 175 65.943 3.417 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.073 2.412 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.423 2.616 -3.032 1.00 0.00 H new ATOM 783 N GLN A 176 67.245 5.471 -2.227 1.00 0.00 N ATOM 784 CA GLN A 176 67.772 6.617 -1.493 1.00 0.00 C ATOM 785 C GLN A 176 66.671 7.326 -0.708 1.00 0.00 C ATOM 786 O GLN A 176 66.919 7.873 0.368 1.00 0.00 O ATOM 787 CB GLN A 176 68.415 7.604 -2.469 1.00 0.00 C ATOM 788 CG GLN A 176 69.597 6.932 -3.173 1.00 0.00 C ATOM 789 CD GLN A 176 70.233 7.897 -4.169 1.00 0.00 C ATOM 790 OE1 GLN A 176 69.538 8.709 -4.781 1.00 0.00 O ATOM 791 NE2 GLN A 176 71.522 7.858 -4.366 1.00 0.00 N ATOM 0 H GLN A 176 66.965 5.677 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 176 68.518 6.252 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.681 7.935 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.754 8.492 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.337 6.617 -2.437 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.259 6.034 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 176 72.095 7.185 -3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 176 71.956 8.501 -5.028 1.00 0.00 H new ATOM 800 N ASP A 177 65.456 7.309 -1.257 1.00 0.00 N ATOM 801 CA ASP A 177 64.357 8.059 -0.662 1.00 0.00 C ATOM 802 C ASP A 177 63.847 7.379 0.606 1.00 0.00 C ATOM 803 O ASP A 177 63.179 8.020 1.415 1.00 0.00 O ATOM 804 CB ASP A 177 63.205 8.247 -1.662 1.00 0.00 C ATOM 805 CG ASP A 177 63.384 9.542 -2.470 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.251 10.332 -2.127 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.626 9.739 -3.404 1.00 0.00 O ATOM 0 H ASP A 177 65.213 6.791 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 177 64.744 9.042 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.164 7.394 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.256 8.276 -1.127 1.00 0.00 H new ATOM 812 N LEU A 178 64.133 6.081 0.778 1.00 0.00 N ATOM 813 CA LEU A 178 63.775 5.395 2.025 1.00 0.00 C ATOM 814 C LEU A 178 64.376 6.147 3.224 1.00 0.00 C ATOM 815 O LEU A 178 63.695 6.422 4.213 1.00 0.00 O ATOM 816 CB LEU A 178 64.307 3.951 2.039 1.00 0.00 C ATOM 817 CG LEU A 178 63.955 3.180 0.756 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.660 1.824 0.794 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.445 2.939 0.673 1.00 0.00 C ATOM 0 H LEU A 178 64.601 5.496 0.085 1.00 0.00 H new ATOM 0 HA LEU A 178 62.687 5.375 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.390 3.968 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.895 3.424 2.900 1.00 0.00 H new ATOM 0 HG LEU A 178 64.273 3.763 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.420 1.264 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.738 1.976 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.325 1.264 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.214 2.392 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.121 2.357 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.924 3.896 0.665 1.00 0.00 H new ATOM 831 N PHE A 179 65.666 6.469 3.106 1.00 0.00 N ATOM 832 CA PHE A 179 66.373 7.261 4.116 1.00 0.00 C ATOM 833 C PHE A 179 65.615 8.551 4.460 1.00 0.00 C ATOM 834 O PHE A 179 65.648 9.014 5.601 1.00 0.00 O ATOM 835 CB PHE A 179 67.768 7.612 3.600 1.00 0.00 C ATOM 836 CG PHE A 179 68.721 6.439 3.601 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.449 6.121 4.774 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.887 5.660 2.431 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.342 5.021 4.776 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.781 4.561 2.433 1.00 0.00 C ATOM 841 CZ PHE A 179 70.509 4.242 3.605 1.00 0.00 C ATOM 0 H PHE A 179 66.246 6.191 2.315 1.00 0.00 H new ATOM 0 HA PHE A 179 66.445 6.662 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.685 8.002 2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.185 8.410 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.323 6.717 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.332 5.903 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.895 4.776 5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.907 3.966 1.540 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.191 3.405 3.606 1.00 0.00 H new ATOM 851 N THR A 180 64.936 9.120 3.464 1.00 0.00 N ATOM 852 CA THR A 180 64.157 10.347 3.672 1.00 0.00 C ATOM 853 C THR A 180 62.711 10.027 4.084 1.00 0.00 C ATOM 854 O THR A 180 62.046 10.842 4.724 1.00 0.00 O ATOM 855 CB THR A 180 64.147 11.193 2.390 1.00 0.00 C ATOM 856 OG1 THR A 180 63.367 10.542 1.399 1.00 0.00 O ATOM 857 CG2 THR A 180 65.578 11.377 1.875 1.00 0.00 C ATOM 0 H THR A 180 64.907 8.757 2.511 1.00 0.00 H new ATOM 0 HA THR A 180 64.631 10.908 4.478 1.00 0.00 H new ATOM 0 HB THR A 180 63.717 12.170 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.398 9.573 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.563 11.978 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.176 11.882 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 180 66.015 10.402 1.658 1.00 0.00 H new ATOM 865 N ASP A 181 62.239 8.835 3.711 1.00 0.00 N ATOM 866 CA ASP A 181 60.860 8.435 3.989 1.00 0.00 C ATOM 867 C ASP A 181 60.813 7.363 5.084 1.00 0.00 C ATOM 868 O ASP A 181 61.244 6.230 4.855 1.00 0.00 O ATOM 869 CB ASP A 181 60.203 7.898 2.716 1.00 0.00 C ATOM 870 CG ASP A 181 58.684 8.105 2.761 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.174 8.467 3.812 1.00 0.00 O ATOM 872 OD2 ASP A 181 58.052 7.901 1.739 1.00 0.00 O ATOM 0 H ASP A 181 62.790 8.133 3.217 1.00 0.00 H new ATOM 0 HA ASP A 181 60.315 9.312 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.618 8.405 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.427 6.837 2.605 1.00 0.00 H new ATOM 877 N PRO A 182 60.286 7.677 6.253 1.00 0.00 N ATOM 878 CA PRO A 182 60.253 6.700 7.387 1.00 0.00 C ATOM 879 C PRO A 182 59.445 5.444 7.056 1.00 0.00 C ATOM 880 O PRO A 182 59.961 4.328 7.136 1.00 0.00 O ATOM 881 CB PRO A 182 59.603 7.474 8.544 1.00 0.00 C ATOM 882 CG PRO A 182 59.723 8.914 8.184 1.00 0.00 C ATOM 883 CD PRO A 182 59.713 8.976 6.661 1.00 0.00 C ATOM 0 HA PRO A 182 61.254 6.339 7.625 1.00 0.00 H new ATOM 0 HB2 PRO A 182 58.559 7.187 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.106 7.263 9.488 1.00 0.00 H new ATOM 0 HG2 PRO A 182 58.897 9.490 8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 182 60.643 9.340 8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.703 9.108 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.309 9.810 6.290 1.00 0.00 H new ATOM 891 N ARG A 183 58.179 5.633 6.680 1.00 0.00 N ATOM 892 CA ARG A 183 57.255 4.503 6.532 1.00 0.00 C ATOM 893 C ARG A 183 57.685 3.557 5.412 1.00 0.00 C ATOM 894 O ARG A 183 57.581 2.342 5.566 1.00 0.00 O ATOM 895 CB ARG A 183 55.830 4.991 6.263 1.00 0.00 C ATOM 896 CG ARG A 183 55.378 5.911 7.401 1.00 0.00 C ATOM 897 CD ARG A 183 53.909 6.288 7.196 1.00 0.00 C ATOM 898 NE ARG A 183 53.276 6.616 8.475 1.00 0.00 N ATOM 899 CZ ARG A 183 53.528 7.757 9.132 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.391 8.633 8.676 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.897 8.000 10.248 1.00 0.00 N ATOM 0 H ARG A 183 57.772 6.545 6.474 1.00 0.00 H new ATOM 0 HA ARG A 183 57.278 3.955 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.791 5.525 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.153 4.141 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.506 5.411 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.996 6.809 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.838 7.140 6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.379 5.461 6.723 1.00 0.00 H new ATOM 0 HE ARG A 183 52.618 5.951 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.887 8.453 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.566 9.494 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.222 7.326 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.079 8.864 10.759 1.00 0.00 H new ATOM 915 N LEU A 184 58.214 4.104 4.308 1.00 0.00 N ATOM 916 CA LEU A 184 58.612 3.272 3.155 1.00 0.00 C ATOM 917 C LEU A 184 59.501 2.108 3.605 1.00 0.00 C ATOM 918 O LEU A 184 59.393 0.992 3.091 1.00 0.00 O ATOM 919 CB LEU A 184 59.367 4.116 2.113 1.00 0.00 C ATOM 920 CG LEU A 184 58.379 4.750 1.123 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.112 5.779 0.253 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.779 3.663 0.217 1.00 0.00 C ATOM 0 H LEU A 184 58.376 5.104 4.186 1.00 0.00 H new ATOM 0 HA LEU A 184 57.703 2.873 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.941 4.896 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.080 3.490 1.576 1.00 0.00 H new ATOM 0 HG LEU A 184 57.582 5.240 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.410 6.228 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.537 6.556 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.911 5.285 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.079 4.119 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.577 3.170 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.255 2.929 0.828 1.00 0.00 H new ATOM 934 N MET A 185 60.338 2.364 4.605 1.00 0.00 N ATOM 935 CA MET A 185 61.214 1.325 5.131 1.00 0.00 C ATOM 936 C MET A 185 60.412 0.252 5.873 1.00 0.00 C ATOM 937 O MET A 185 60.642 -0.935 5.686 1.00 0.00 O ATOM 938 CB MET A 185 62.256 1.933 6.062 1.00 0.00 C ATOM 939 CG MET A 185 63.278 2.710 5.237 1.00 0.00 C ATOM 940 SD MET A 185 64.562 3.366 6.329 1.00 0.00 S ATOM 941 CE MET A 185 65.826 3.627 5.062 1.00 0.00 C ATOM 0 H MET A 185 60.428 3.271 5.063 1.00 0.00 H new ATOM 0 HA MET A 185 61.720 0.853 4.289 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.775 2.594 6.782 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.753 1.148 6.632 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.723 2.060 4.484 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.787 3.525 4.704 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.814 3.478 5.497 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.677 2.918 4.248 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.750 4.643 4.676 1.00 0.00 H new ATOM 951 N THR A 186 59.400 0.663 6.637 1.00 0.00 N ATOM 952 CA THR A 186 58.576 -0.300 7.382 1.00 0.00 C ATOM 953 C THR A 186 57.889 -1.269 6.407 1.00 0.00 C ATOM 954 O THR A 186 57.746 -2.462 6.687 1.00 0.00 O ATOM 955 CB THR A 186 57.527 0.455 8.218 1.00 0.00 C ATOM 956 OG1 THR A 186 58.189 1.383 9.066 1.00 0.00 O ATOM 957 CG2 THR A 186 56.712 -0.523 9.075 1.00 0.00 C ATOM 0 H THR A 186 59.131 1.639 6.758 1.00 0.00 H new ATOM 0 HA THR A 186 59.213 -0.877 8.052 1.00 0.00 H new ATOM 0 HB THR A 186 56.848 0.978 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.526 1.869 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.976 0.030 9.658 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.201 -1.235 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.380 -1.060 9.749 1.00 0.00 H new ATOM 965 N ILE A 187 57.496 -0.738 5.247 1.00 0.00 N ATOM 966 CA ILE A 187 56.991 -1.569 4.145 1.00 0.00 C ATOM 967 C ILE A 187 58.029 -2.638 3.781 1.00 0.00 C ATOM 968 O ILE A 187 57.700 -3.813 3.609 1.00 0.00 O ATOM 969 CB ILE A 187 56.707 -0.700 2.903 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.783 0.475 3.263 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.024 -1.546 1.823 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.685 1.444 2.079 1.00 0.00 C ATOM 0 H ILE A 187 57.517 0.261 5.044 1.00 0.00 H new ATOM 0 HA ILE A 187 56.066 -2.047 4.469 1.00 0.00 H new ATOM 0 HB ILE A 187 57.657 -0.313 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.792 0.103 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 187 56.168 0.996 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 187 55.825 -0.927 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 187 56.676 -2.373 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.084 -1.940 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 187 55.029 2.274 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.677 1.827 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.280 0.921 1.213 1.00 0.00 H new ATOM 984 N MET A 188 59.287 -2.211 3.707 1.00 0.00 N ATOM 985 CA MET A 188 60.383 -3.120 3.387 1.00 0.00 C ATOM 986 C MET A 188 60.475 -4.243 4.419 1.00 0.00 C ATOM 987 O MET A 188 60.763 -5.386 4.080 1.00 0.00 O ATOM 988 CB MET A 188 61.710 -2.359 3.338 1.00 0.00 C ATOM 989 CG MET A 188 61.870 -1.709 1.970 1.00 0.00 C ATOM 990 SD MET A 188 62.288 -2.987 0.769 1.00 0.00 S ATOM 991 CE MET A 188 61.313 -2.322 -0.588 1.00 0.00 C ATOM 0 H MET A 188 59.572 -1.244 3.864 1.00 0.00 H new ATOM 0 HA MET A 188 60.183 -3.557 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.735 -1.599 4.119 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.540 -3.040 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.948 -1.205 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 188 62.651 -0.950 2.001 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.606 -2.807 -1.519 1.00 0.00 H new ATOM 0 HE2 MET A 188 60.255 -2.506 -0.400 1.00 0.00 H new ATOM 0 HE3 MET A 188 61.486 -1.249 -0.668 1.00 0.00 H new ATOM 1001 N ALA A 189 60.227 -3.898 5.680 1.00 0.00 N ATOM 1002 CA ALA A 189 60.274 -4.876 6.773 1.00 0.00 C ATOM 1003 C ALA A 189 59.321 -6.056 6.537 1.00 0.00 C ATOM 1004 O ALA A 189 59.754 -7.209 6.517 1.00 0.00 O ATOM 1005 CB ALA A 189 59.918 -4.180 8.089 1.00 0.00 C ATOM 0 H ALA A 189 59.991 -2.950 5.974 1.00 0.00 H new ATOM 0 HA ALA A 189 61.286 -5.279 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 189 59.952 -4.903 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.634 -3.381 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 189 58.915 -3.759 8.018 1.00 0.00 H new ATOM 1011 N THR A 190 58.034 -5.767 6.315 1.00 0.00 N ATOM 1012 CA THR A 190 57.046 -6.830 6.043 1.00 0.00 C ATOM 1013 C THR A 190 57.492 -7.707 4.864 1.00 0.00 C ATOM 1014 O THR A 190 57.481 -8.937 4.948 1.00 0.00 O ATOM 1015 CB THR A 190 55.675 -6.212 5.709 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.863 -4.944 5.094 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.830 -6.050 6.976 1.00 0.00 C ATOM 0 H THR A 190 57.651 -4.822 6.317 1.00 0.00 H new ATOM 0 HA THR A 190 56.968 -7.446 6.939 1.00 0.00 H new ATOM 0 HB THR A 190 55.149 -6.879 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.621 -4.990 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 190 53.866 -5.612 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.673 -7.026 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.348 -5.397 7.678 1.00 0.00 H new ATOM 1025 N LEU A 191 57.880 -7.053 3.774 1.00 0.00 N ATOM 1026 CA LEU A 191 58.272 -7.756 2.547 1.00 0.00 C ATOM 1027 C LEU A 191 59.472 -8.680 2.788 1.00 0.00 C ATOM 1028 O LEU A 191 59.413 -9.879 2.512 1.00 0.00 O ATOM 1029 CB LEU A 191 58.640 -6.733 1.468 1.00 0.00 C ATOM 1030 CG LEU A 191 57.373 -6.042 0.946 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.715 -4.618 0.500 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.816 -6.826 -0.246 1.00 0.00 C ATOM 0 H LEU A 191 57.933 -6.036 3.710 1.00 0.00 H new ATOM 0 HA LEU A 191 57.427 -8.365 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.326 -5.992 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.158 -7.228 0.647 1.00 0.00 H new ATOM 0 HG LEU A 191 56.627 -6.007 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.815 -4.127 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.112 -4.057 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.462 -4.655 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.916 -6.335 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.563 -6.861 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.572 -7.841 0.068 1.00 0.00 H new ATOM 1044 N MET A 192 60.553 -8.105 3.303 1.00 0.00 N ATOM 1045 CA MET A 192 61.811 -8.830 3.477 1.00 0.00 C ATOM 1046 C MET A 192 61.747 -9.843 4.618 1.00 0.00 C ATOM 1047 O MET A 192 62.410 -10.881 4.570 1.00 0.00 O ATOM 1048 CB MET A 192 62.934 -7.838 3.753 1.00 0.00 C ATOM 1049 CG MET A 192 63.353 -7.170 2.441 1.00 0.00 C ATOM 1050 SD MET A 192 64.574 -8.203 1.591 1.00 0.00 S ATOM 1051 CE MET A 192 65.911 -8.028 2.800 1.00 0.00 C ATOM 0 H MET A 192 60.585 -7.133 3.610 1.00 0.00 H new ATOM 0 HA MET A 192 61.999 -9.381 2.555 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.602 -7.085 4.468 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.785 -8.350 4.202 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.482 -7.021 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.773 -6.184 2.642 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.868 -7.978 2.280 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.763 -7.115 3.376 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.908 -8.886 3.473 1.00 0.00 H new ATOM 1061 N GLY A 193 60.945 -9.543 5.634 1.00 0.00 N ATOM 1062 CA GLY A 193 61.016 -10.273 6.894 1.00 0.00 C ATOM 1063 C GLY A 193 60.243 -11.588 6.812 1.00 0.00 C ATOM 1064 O GLY A 193 60.371 -12.449 7.682 1.00 0.00 O ATOM 0 H GLY A 193 60.242 -8.804 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 193 62.058 -10.475 7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.610 -9.658 7.697 1.00 0.00 H new