USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 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 -33:sc= 0.124 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.159 K(o=-0.035,f=-1.2) USER MOD Set 2.1: A 146 LYS NZ :NH3+ 156:sc= -0.0608 (180deg=-0.532) USER MOD Set 2.2: A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.029 K(o=-0.029,f=-0.91) USER MOD Single : A 144 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.83) USER MOD Single : A 147 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00936) USER MOD Single : A 148 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 150 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.925 USER MOD Single : A 152 SER OG : rot -95:sc= 1.37 USER MOD Single : A 154 MET CE :methyl -155:sc= -0.647 (180deg=-1.8!) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.00638 (180deg=-0.00638) USER MOD Single : A 159 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.52) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 51:sc= -1.9 USER MOD Single : A 168 LYS NZ :NH3+ 180:sc=-0.00922 (180deg=-0.00922) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 THR OG1 : rot -31:sc= 1.12 USER MOD Single : A 185 MET CE :methyl -170:sc= -0.0528 (180deg=-0.247) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 137:sc= -5.79! (180deg=-9.69!) USER MOD Single : A 190 THR OG1 : rot 40:sc= 1.01 USER MOD Single : A 192 MET CE :methyl -146:sc= -0.244 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 62.960 -1.189 -4.979 1.00 0.00 N ATOM 92 CA THR A 133 61.929 -0.888 -5.968 1.00 0.00 C ATOM 93 C THR A 133 61.264 -2.142 -6.505 1.00 0.00 C ATOM 94 O THR A 133 60.057 -2.157 -6.684 1.00 0.00 O ATOM 95 CB THR A 133 62.546 -0.098 -7.120 1.00 0.00 C ATOM 96 OG1 THR A 133 63.625 -0.834 -7.678 1.00 0.00 O ATOM 97 CG2 THR A 133 63.053 1.238 -6.584 1.00 0.00 C ATOM 0 HA THR A 133 61.158 -0.297 -5.474 1.00 0.00 H new ATOM 0 HB THR A 133 61.799 0.076 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.070 -1.348 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 133 63.496 1.812 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.221 1.798 -6.156 1.00 0.00 H new ATOM 0 HG23 THR A 133 63.804 1.060 -5.815 1.00 0.00 H new ATOM 105 N GLN A 134 62.030 -3.213 -6.686 1.00 0.00 N ATOM 106 CA GLN A 134 61.488 -4.436 -7.284 1.00 0.00 C ATOM 107 C GLN A 134 60.238 -4.917 -6.538 1.00 0.00 C ATOM 108 O GLN A 134 59.223 -5.232 -7.162 1.00 0.00 O ATOM 109 CB GLN A 134 62.549 -5.536 -7.283 1.00 0.00 C ATOM 110 CG GLN A 134 63.680 -5.157 -8.241 1.00 0.00 C ATOM 111 CD GLN A 134 64.703 -6.284 -8.314 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.474 -7.289 -8.986 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.825 -6.178 -7.657 1.00 0.00 N ATOM 0 H GLN A 134 63.017 -3.263 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 134 61.203 -4.208 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.943 -5.675 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.105 -6.484 -7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.275 -4.958 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.162 -4.239 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 134 66.013 -5.344 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.514 -6.929 -7.700 1.00 0.00 H new ATOM 122 N LEU A 135 60.282 -4.881 -5.207 1.00 0.00 N ATOM 123 CA LEU A 135 59.156 -5.364 -4.408 1.00 0.00 C ATOM 124 C LEU A 135 57.889 -4.546 -4.654 1.00 0.00 C ATOM 125 O LEU A 135 56.853 -5.102 -5.021 1.00 0.00 O ATOM 126 CB LEU A 135 59.505 -5.277 -2.929 1.00 0.00 C ATOM 127 CG LEU A 135 60.629 -6.253 -2.600 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.126 -5.970 -1.185 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.092 -7.683 -2.678 1.00 0.00 C ATOM 0 H LEU A 135 61.071 -4.529 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 135 58.966 -6.396 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.809 -4.261 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.626 -5.505 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 135 61.448 -6.136 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 135 61.931 -6.662 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.497 -4.947 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.306 -6.099 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.892 -8.385 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.280 -7.806 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.721 -7.878 -3.684 1.00 0.00 H new ATOM 141 N PHE A 136 57.975 -3.227 -4.459 1.00 0.00 N ATOM 142 CA PHE A 136 56.844 -2.352 -4.769 1.00 0.00 C ATOM 143 C PHE A 136 56.665 -2.025 -6.252 1.00 0.00 C ATOM 144 O PHE A 136 55.532 -1.840 -6.699 1.00 0.00 O ATOM 145 CB PHE A 136 56.752 -1.115 -3.859 1.00 0.00 C ATOM 146 CG PHE A 136 58.033 -0.578 -3.276 1.00 0.00 C ATOM 147 CD1 PHE A 136 59.022 0.058 -4.061 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.199 -0.679 -1.880 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.182 0.583 -3.432 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.351 -0.158 -1.257 1.00 0.00 C ATOM 151 CZ PHE A 136 60.344 0.474 -2.032 1.00 0.00 C ATOM 0 H PHE A 136 58.800 -2.750 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 136 55.975 -2.964 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.281 -0.314 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.082 -1.355 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.896 0.144 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.438 -1.159 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.943 1.067 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.473 -0.243 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.227 0.874 -1.557 1.00 0.00 H new ATOM 161 N ALA A 137 57.739 -2.043 -7.036 1.00 0.00 N ATOM 162 CA ALA A 137 57.613 -1.809 -8.486 1.00 0.00 C ATOM 163 C ALA A 137 56.682 -2.851 -9.120 1.00 0.00 C ATOM 164 O ALA A 137 56.075 -2.600 -10.162 1.00 0.00 O ATOM 165 CB ALA A 137 58.980 -1.864 -9.169 1.00 0.00 C ATOM 0 H ALA A 137 58.690 -2.213 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 137 57.189 -0.815 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.860 -1.688 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.629 -1.097 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.427 -2.846 -9.011 1.00 0.00 H new ATOM 171 N ASP A 138 56.578 -4.021 -8.481 1.00 0.00 N ATOM 172 CA ASP A 138 55.546 -5.009 -8.825 1.00 0.00 C ATOM 173 C ASP A 138 54.148 -4.365 -8.772 1.00 0.00 C ATOM 174 O ASP A 138 53.911 -3.465 -7.965 1.00 0.00 O ATOM 175 CB ASP A 138 55.614 -6.167 -7.812 1.00 0.00 C ATOM 176 CG ASP A 138 55.175 -7.498 -8.432 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.013 -7.560 -9.638 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.008 -8.443 -7.681 1.00 0.00 O ATOM 0 H ASP A 138 57.196 -4.309 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 138 55.722 -5.378 -9.835 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.633 -6.261 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 138 54.978 -5.938 -6.957 1.00 0.00 H new ATOM 183 N PRO A 139 53.231 -4.795 -9.613 1.00 0.00 N ATOM 184 CA PRO A 139 51.778 -4.493 -9.412 1.00 0.00 C ATOM 185 C PRO A 139 51.235 -5.137 -8.140 1.00 0.00 C ATOM 186 O PRO A 139 51.855 -6.045 -7.584 1.00 0.00 O ATOM 187 CB PRO A 139 51.079 -5.062 -10.659 1.00 0.00 C ATOM 188 CG PRO A 139 52.092 -5.925 -11.328 1.00 0.00 C ATOM 189 CD PRO A 139 53.450 -5.337 -10.965 1.00 0.00 C ATOM 0 HA PRO A 139 51.606 -3.423 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.195 -5.637 -10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.747 -4.262 -11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.010 -6.957 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.946 -5.932 -12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.233 -6.096 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.753 -4.560 -11.666 1.00 0.00 H new ATOM 197 N ASN A 140 50.036 -4.699 -7.736 1.00 0.00 N ATOM 198 CA ASN A 140 49.488 -4.909 -6.375 1.00 0.00 C ATOM 199 C ASN A 140 50.485 -5.477 -5.353 1.00 0.00 C ATOM 200 O ASN A 140 50.487 -6.681 -5.082 1.00 0.00 O ATOM 201 CB ASN A 140 48.279 -5.855 -6.461 1.00 0.00 C ATOM 202 CG ASN A 140 47.269 -5.349 -7.490 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.153 -4.144 -7.711 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.544 -6.209 -8.151 1.00 0.00 N ATOM 0 H ASN A 140 49.405 -4.181 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 140 49.215 -3.918 -6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.613 -6.856 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.802 -5.933 -5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.879 -5.883 -8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.642 -7.207 -7.966 1.00 0.00 H new ATOM 211 N LEU A 141 51.350 -4.622 -4.810 1.00 0.00 N ATOM 212 CA LEU A 141 51.985 -4.934 -3.530 1.00 0.00 C ATOM 213 C LEU A 141 51.438 -4.034 -2.410 1.00 0.00 C ATOM 214 O LEU A 141 51.532 -4.381 -1.232 1.00 0.00 O ATOM 215 CB LEU A 141 53.502 -4.740 -3.647 1.00 0.00 C ATOM 216 CG LEU A 141 54.202 -5.284 -2.394 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.118 -6.819 -2.366 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.668 -4.842 -2.393 1.00 0.00 C ATOM 0 H LEU A 141 51.623 -3.730 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 141 51.762 -5.971 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.875 -5.254 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.733 -3.682 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 141 53.705 -4.889 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.618 -7.195 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.072 -7.126 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.604 -7.226 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.164 -5.229 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.165 -5.229 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.720 -3.753 -2.393 1.00 0.00 H new ATOM 230 N ILE A 142 50.744 -2.948 -2.780 1.00 0.00 N ATOM 231 CA ILE A 142 50.185 -2.041 -1.782 1.00 0.00 C ATOM 232 C ILE A 142 49.081 -2.729 -0.969 1.00 0.00 C ATOM 233 O ILE A 142 48.914 -2.431 0.212 1.00 0.00 O ATOM 234 CB ILE A 142 49.686 -0.733 -2.453 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.894 0.202 -2.693 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.665 -0.007 -1.551 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.453 1.446 -3.482 1.00 0.00 C ATOM 0 H ILE A 142 50.561 -2.684 -3.748 1.00 0.00 H new ATOM 0 HA ILE A 142 50.973 -1.769 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 142 49.203 -0.988 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.326 0.502 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.671 -0.329 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.330 0.906 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.809 -0.658 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.134 0.244 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.312 2.097 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.042 1.140 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.692 1.984 -2.917 1.00 0.00 H new ATOM 249 N GLU A 143 48.356 -3.676 -1.570 1.00 0.00 N ATOM 250 CA GLU A 143 47.205 -4.276 -0.884 1.00 0.00 C ATOM 251 C GLU A 143 47.646 -5.040 0.364 1.00 0.00 C ATOM 252 O GLU A 143 47.150 -4.799 1.466 1.00 0.00 O ATOM 253 CB GLU A 143 46.495 -5.245 -1.831 1.00 0.00 C ATOM 254 CG GLU A 143 45.802 -4.455 -2.940 1.00 0.00 C ATOM 255 CD GLU A 143 45.035 -5.400 -3.862 1.00 0.00 C ATOM 256 OE1 GLU A 143 44.417 -6.322 -3.353 1.00 0.00 O ATOM 257 OE2 GLU A 143 45.077 -5.188 -5.062 1.00 0.00 O ATOM 0 H GLU A 143 48.537 -4.038 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 143 46.531 -3.473 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.214 -5.943 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.764 -5.838 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.118 -3.726 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.541 -3.896 -3.514 1.00 0.00 H new ATOM 264 N ASN A 144 48.663 -5.885 0.208 1.00 0.00 N ATOM 265 CA ASN A 144 49.279 -6.563 1.352 1.00 0.00 C ATOM 266 C ASN A 144 49.722 -5.548 2.407 1.00 0.00 C ATOM 267 O ASN A 144 49.593 -5.784 3.610 1.00 0.00 O ATOM 268 CB ASN A 144 50.493 -7.364 0.872 1.00 0.00 C ATOM 269 CG ASN A 144 50.077 -8.367 -0.205 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.947 -8.854 -0.201 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.919 -8.673 -1.155 1.00 0.00 N ATOM 0 H ASN A 144 49.078 -6.117 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 144 48.545 -7.232 1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.250 -6.687 0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.945 -7.890 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.640 -9.317 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.855 -8.268 -1.157 1.00 0.00 H new ATOM 278 N LEU A 145 50.240 -4.422 1.933 1.00 0.00 N ATOM 279 CA LEU A 145 50.652 -3.335 2.817 1.00 0.00 C ATOM 280 C LEU A 145 49.471 -2.710 3.556 1.00 0.00 C ATOM 281 O LEU A 145 49.664 -2.051 4.576 1.00 0.00 O ATOM 282 CB LEU A 145 51.432 -2.273 2.041 1.00 0.00 C ATOM 283 CG LEU A 145 52.650 -2.924 1.370 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.410 -1.869 0.568 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.581 -3.530 2.431 1.00 0.00 C ATOM 0 H LEU A 145 50.386 -4.236 0.941 1.00 0.00 H new ATOM 0 HA LEU A 145 51.308 -3.767 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.791 -1.813 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.755 -1.479 2.714 1.00 0.00 H new ATOM 0 HG LEU A 145 52.308 -3.718 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.275 -2.329 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.754 -1.450 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.743 -1.075 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.440 -3.988 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.923 -2.745 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.041 -4.287 2.999 1.00 0.00 H new ATOM 297 N LYS A 146 48.273 -2.795 2.979 1.00 0.00 N ATOM 298 CA LYS A 146 47.080 -2.280 3.653 1.00 0.00 C ATOM 299 C LYS A 146 46.830 -3.009 4.982 1.00 0.00 C ATOM 300 O LYS A 146 46.604 -2.371 6.012 1.00 0.00 O ATOM 301 CB LYS A 146 45.844 -2.444 2.763 1.00 0.00 C ATOM 302 CG LYS A 146 45.989 -1.576 1.512 1.00 0.00 C ATOM 303 CD LYS A 146 44.782 -1.792 0.595 1.00 0.00 C ATOM 304 CE LYS A 146 43.560 -1.081 1.179 1.00 0.00 C ATOM 305 NZ LYS A 146 43.742 0.393 1.071 1.00 0.00 N ATOM 0 H LYS A 146 48.103 -3.208 2.062 1.00 0.00 H new ATOM 0 HA LYS A 146 47.255 -1.223 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.724 -3.490 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.948 -2.158 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.062 -0.525 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.909 -1.830 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.997 -1.408 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.579 -2.858 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 146 42.660 -1.387 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 146 43.425 -1.366 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 42.812 0.859 1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 44.302 0.734 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 44.240 0.617 0.186 1.00 0.00 H new ATOM 319 N LYS A 147 46.836 -4.346 4.946 1.00 0.00 N ATOM 320 CA LYS A 147 46.269 -5.115 6.063 1.00 0.00 C ATOM 321 C LYS A 147 47.227 -5.340 7.254 1.00 0.00 C ATOM 322 O LYS A 147 46.816 -5.146 8.400 1.00 0.00 O ATOM 323 CB LYS A 147 45.795 -6.475 5.546 1.00 0.00 C ATOM 324 CG LYS A 147 44.683 -6.269 4.515 1.00 0.00 C ATOM 325 CD LYS A 147 44.255 -7.624 3.947 1.00 0.00 C ATOM 326 CE LYS A 147 43.364 -8.345 4.961 1.00 0.00 C ATOM 327 NZ LYS A 147 41.970 -7.828 4.851 1.00 0.00 N ATOM 0 H LYS A 147 47.214 -4.906 4.182 1.00 0.00 H new ATOM 0 HA LYS A 147 45.447 -4.512 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.628 -7.015 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.430 -7.084 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.831 -5.772 4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 147 45.033 -5.620 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.717 -7.484 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 147 45.133 -8.230 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 147 43.381 -9.419 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 147 43.743 -8.188 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 41.497 -7.907 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 41.992 -6.831 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 41.448 -8.386 4.145 1.00 0.00 H new ATOM 341 N ASN A 148 48.490 -5.734 7.007 1.00 0.00 N ATOM 342 CA ASN A 148 49.332 -6.190 8.138 1.00 0.00 C ATOM 343 C ASN A 148 50.396 -5.178 8.613 1.00 0.00 C ATOM 344 O ASN A 148 50.889 -5.307 9.736 1.00 0.00 O ATOM 345 CB ASN A 148 50.046 -7.482 7.710 1.00 0.00 C ATOM 346 CG ASN A 148 50.804 -8.100 8.885 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.202 -8.729 9.755 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.101 -7.954 8.957 1.00 0.00 N ATOM 0 H ASN A 148 48.935 -5.749 6.089 1.00 0.00 H new ATOM 0 HA ASN A 148 48.658 -6.331 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.317 -8.196 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.740 -7.267 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.618 -8.362 9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.596 -7.432 8.234 1.00 0.00 H new ATOM 355 N PRO A 149 50.765 -4.198 7.821 1.00 0.00 N ATOM 356 CA PRO A 149 51.781 -3.199 8.255 1.00 0.00 C ATOM 357 C PRO A 149 51.195 -1.821 8.546 1.00 0.00 C ATOM 358 O PRO A 149 50.237 -1.390 7.904 1.00 0.00 O ATOM 359 CB PRO A 149 52.743 -3.142 7.076 1.00 0.00 C ATOM 360 CG PRO A 149 51.930 -3.497 5.875 1.00 0.00 C ATOM 361 CD PRO A 149 50.631 -4.155 6.362 1.00 0.00 C ATOM 0 HA PRO A 149 52.248 -3.489 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.179 -2.148 6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.569 -3.840 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.709 -2.606 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.483 -4.178 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.757 -3.578 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.512 -5.155 5.945 1.00 0.00 H new ATOM 369 N LYS A 150 51.833 -1.107 9.477 1.00 0.00 N ATOM 370 CA LYS A 150 51.468 0.285 9.770 1.00 0.00 C ATOM 371 C LYS A 150 51.582 1.165 8.512 1.00 0.00 C ATOM 372 O LYS A 150 50.985 2.238 8.445 1.00 0.00 O ATOM 373 CB LYS A 150 52.375 0.863 10.866 1.00 0.00 C ATOM 374 CG LYS A 150 52.420 -0.081 12.071 1.00 0.00 C ATOM 375 CD LYS A 150 53.117 0.619 13.241 1.00 0.00 C ATOM 376 CE LYS A 150 53.327 -0.380 14.380 1.00 0.00 C ATOM 377 NZ LYS A 150 52.010 -0.728 14.986 1.00 0.00 N ATOM 0 H LYS A 150 52.603 -1.467 10.041 1.00 0.00 H new ATOM 0 HA LYS A 150 50.433 0.285 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.381 1.012 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 150 52.006 1.841 11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.409 -0.372 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.953 -0.995 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.076 1.025 12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.515 1.460 13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.815 -1.279 14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 150 53.986 0.048 15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 52.162 -1.284 15.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.494 0.144 15.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 51.453 -1.288 14.309 1.00 0.00 H new ATOM 391 N THR A 151 52.328 0.689 7.507 1.00 0.00 N ATOM 392 CA THR A 151 52.519 1.434 6.256 1.00 0.00 C ATOM 393 C THR A 151 51.165 1.768 5.593 1.00 0.00 C ATOM 394 O THR A 151 51.039 2.748 4.842 1.00 0.00 O ATOM 395 CB THR A 151 53.374 0.589 5.297 1.00 0.00 C ATOM 396 OG1 THR A 151 52.685 -0.610 4.984 1.00 0.00 O ATOM 397 CG2 THR A 151 54.715 0.249 5.959 1.00 0.00 C ATOM 0 H THR A 151 52.810 -0.210 7.536 1.00 0.00 H new ATOM 0 HA THR A 151 53.023 2.374 6.481 1.00 0.00 H new ATOM 0 HB THR A 151 53.557 1.156 4.384 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.287 -1.217 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.317 -0.350 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.246 1.170 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.536 -0.315 6.874 1.00 0.00 H new ATOM 405 N SER A 152 50.126 1.019 5.962 1.00 0.00 N ATOM 406 CA SER A 152 48.798 1.217 5.383 1.00 0.00 C ATOM 407 C SER A 152 48.231 2.607 5.683 1.00 0.00 C ATOM 408 O SER A 152 47.299 3.056 5.006 1.00 0.00 O ATOM 409 CB SER A 152 47.853 0.162 5.945 1.00 0.00 C ATOM 410 OG SER A 152 48.092 0.012 7.336 1.00 0.00 O ATOM 0 H SER A 152 50.178 0.273 6.656 1.00 0.00 H new ATOM 0 HA SER A 152 48.891 1.127 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.818 0.455 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.005 -0.788 5.434 1.00 0.00 H new ATOM 0 HG SER A 152 48.710 -0.734 7.483 1.00 0.00 H new ATOM 416 N GLU A 153 48.824 3.320 6.645 1.00 0.00 N ATOM 417 CA GLU A 153 48.392 4.682 6.944 1.00 0.00 C ATOM 418 C GLU A 153 48.476 5.550 5.689 1.00 0.00 C ATOM 419 O GLU A 153 47.463 6.088 5.228 1.00 0.00 O ATOM 420 CB GLU A 153 49.273 5.276 8.047 1.00 0.00 C ATOM 421 CG GLU A 153 48.833 4.723 9.405 1.00 0.00 C ATOM 422 CD GLU A 153 49.940 4.915 10.442 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.603 5.939 10.400 1.00 0.00 O ATOM 424 OE2 GLU A 153 50.107 4.030 11.266 1.00 0.00 O ATOM 0 H GLU A 153 49.594 2.980 7.221 1.00 0.00 H new ATOM 0 HA GLU A 153 47.357 4.656 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.319 5.030 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.196 6.363 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.926 5.229 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.592 3.664 9.313 1.00 0.00 H new ATOM 431 N MET A 154 49.638 5.522 5.030 1.00 0.00 N ATOM 432 CA MET A 154 49.869 6.416 3.903 1.00 0.00 C ATOM 433 C MET A 154 48.933 6.087 2.754 1.00 0.00 C ATOM 434 O MET A 154 48.631 6.956 1.934 1.00 0.00 O ATOM 435 CB MET A 154 51.301 6.322 3.389 1.00 0.00 C ATOM 436 CG MET A 154 52.272 6.766 4.476 1.00 0.00 C ATOM 437 SD MET A 154 53.936 6.915 3.774 1.00 0.00 S ATOM 438 CE MET A 154 54.111 5.205 3.206 1.00 0.00 C ATOM 0 H MET A 154 50.416 4.902 5.255 1.00 0.00 H new ATOM 0 HA MET A 154 49.683 7.427 4.266 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.522 5.298 3.088 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.421 6.947 2.504 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.955 7.721 4.894 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.274 6.045 5.294 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.168 4.946 3.151 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.610 4.536 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.660 5.101 2.219 1.00 0.00 H new ATOM 448 N MET A 155 48.532 4.815 2.632 1.00 0.00 N ATOM 449 CA MET A 155 47.690 4.407 1.511 1.00 0.00 C ATOM 450 C MET A 155 46.293 5.020 1.611 1.00 0.00 C ATOM 451 O MET A 155 45.737 5.477 0.610 1.00 0.00 O ATOM 452 CB MET A 155 47.565 2.876 1.475 1.00 0.00 C ATOM 453 CG MET A 155 48.959 2.227 1.432 1.00 0.00 C ATOM 454 SD MET A 155 49.802 2.657 -0.116 1.00 0.00 S ATOM 455 CE MET A 155 51.489 2.322 0.445 1.00 0.00 C ATOM 0 H MET A 155 48.773 4.068 3.283 1.00 0.00 H new ATOM 0 HA MET A 155 48.163 4.764 0.596 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.021 2.528 2.353 1.00 0.00 H new ATOM 0 HB3 MET A 155 46.988 2.572 0.602 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.551 2.563 2.283 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.867 1.144 1.516 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.189 2.524 -0.366 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.724 2.963 1.295 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.572 1.277 0.744 1.00 0.00 H new ATOM 465 N LYS A 156 45.730 5.031 2.823 1.00 0.00 N ATOM 466 CA LYS A 156 44.308 5.325 2.992 1.00 0.00 C ATOM 467 C LYS A 156 44.026 6.830 3.062 1.00 0.00 C ATOM 468 O LYS A 156 42.883 7.254 2.878 1.00 0.00 O ATOM 469 CB LYS A 156 43.815 4.667 4.279 1.00 0.00 C ATOM 470 CG LYS A 156 43.877 3.146 4.135 1.00 0.00 C ATOM 471 CD LYS A 156 43.318 2.490 5.400 1.00 0.00 C ATOM 472 CE LYS A 156 43.508 0.973 5.322 1.00 0.00 C ATOM 473 NZ LYS A 156 42.354 0.364 4.602 1.00 0.00 N ATOM 0 H LYS A 156 46.232 4.842 3.691 1.00 0.00 H new ATOM 0 HA LYS A 156 43.783 4.931 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.428 4.988 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.793 4.981 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.303 2.829 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.906 2.827 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.825 2.885 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 156 42.260 2.729 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 156 44.438 0.738 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 156 43.587 0.554 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 42.483 -0.667 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.474 0.577 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 42.299 0.756 3.640 1.00 0.00 H new ATOM 487 N ASP A 157 45.062 7.632 3.328 1.00 0.00 N ATOM 488 CA ASP A 157 44.882 9.086 3.391 1.00 0.00 C ATOM 489 C ASP A 157 45.744 9.819 2.348 1.00 0.00 C ATOM 490 O ASP A 157 45.235 10.216 1.299 1.00 0.00 O ATOM 491 CB ASP A 157 45.188 9.591 4.812 1.00 0.00 C ATOM 492 CG ASP A 157 43.893 9.813 5.591 1.00 0.00 C ATOM 493 OD1 ASP A 157 42.983 10.402 5.033 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.833 9.390 6.734 1.00 0.00 O ATOM 0 H ASP A 157 46.014 7.309 3.500 1.00 0.00 H new ATOM 0 HA ASP A 157 43.842 9.307 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.814 8.868 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.752 10.522 4.760 1.00 0.00 H new ATOM 499 N PRO A 158 47.021 9.997 2.598 1.00 0.00 N ATOM 500 CA PRO A 158 47.826 11.056 1.907 1.00 0.00 C ATOM 501 C PRO A 158 47.971 10.846 0.398 1.00 0.00 C ATOM 502 O PRO A 158 47.983 9.719 -0.096 1.00 0.00 O ATOM 503 CB PRO A 158 49.195 10.995 2.594 1.00 0.00 C ATOM 504 CG PRO A 158 49.279 9.625 3.161 1.00 0.00 C ATOM 505 CD PRO A 158 47.856 9.255 3.561 1.00 0.00 C ATOM 0 HA PRO A 158 47.332 12.024 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 158 50.001 11.179 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.279 11.751 3.375 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.675 8.922 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.947 9.598 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.687 8.180 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.639 9.548 4.588 1.00 0.00 H new ATOM 513 N GLN A 159 48.229 11.952 -0.303 1.00 0.00 N ATOM 514 CA GLN A 159 48.522 11.922 -1.742 1.00 0.00 C ATOM 515 C GLN A 159 49.768 11.078 -2.051 1.00 0.00 C ATOM 516 O GLN A 159 49.967 10.648 -3.192 1.00 0.00 O ATOM 517 CB GLN A 159 48.728 13.344 -2.266 1.00 0.00 C ATOM 518 CG GLN A 159 47.370 14.013 -2.494 1.00 0.00 C ATOM 519 CD GLN A 159 46.662 13.372 -3.683 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.260 13.205 -4.747 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.417 13.002 -3.567 1.00 0.00 N ATOM 0 H GLN A 159 48.241 12.887 0.104 1.00 0.00 H new ATOM 0 HA GLN A 159 47.668 11.463 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.314 13.923 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.293 13.320 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.754 13.917 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.507 15.079 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.924 13.141 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.937 12.573 -4.358 1.00 0.00 H new ATOM 530 N LEU A 160 50.581 10.807 -1.023 1.00 0.00 N ATOM 531 CA LEU A 160 51.889 10.189 -1.231 1.00 0.00 C ATOM 532 C LEU A 160 51.755 8.866 -1.996 1.00 0.00 C ATOM 533 O LEU A 160 52.700 8.426 -2.648 1.00 0.00 O ATOM 534 CB LEU A 160 52.563 9.928 0.119 1.00 0.00 C ATOM 535 CG LEU A 160 54.044 9.606 -0.097 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.785 10.866 -0.551 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.651 9.103 1.214 1.00 0.00 C ATOM 0 H LEU A 160 50.356 11.005 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 160 52.498 10.874 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.461 10.802 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.071 9.099 0.628 1.00 0.00 H new ATOM 0 HG LEU A 160 54.138 8.836 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.839 10.633 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.354 11.225 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.691 11.638 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.706 8.873 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.554 9.873 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.126 8.204 1.536 1.00 0.00 H new ATOM 549 N VAL A 161 50.568 8.241 -1.928 1.00 0.00 N ATOM 550 CA VAL A 161 50.314 6.988 -2.646 1.00 0.00 C ATOM 551 C VAL A 161 50.561 7.166 -4.145 1.00 0.00 C ATOM 552 O VAL A 161 51.397 6.480 -4.731 1.00 0.00 O ATOM 553 CB VAL A 161 48.859 6.532 -2.441 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.701 5.090 -2.932 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.477 6.599 -0.956 1.00 0.00 C ATOM 0 H VAL A 161 49.775 8.583 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 161 50.995 6.236 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 161 48.205 7.195 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.670 4.767 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.952 5.037 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.368 4.438 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.445 6.273 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.136 5.948 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.579 7.624 -0.600 1.00 0.00 H new ATOM 565 N ALA A 162 49.876 8.144 -4.744 1.00 0.00 N ATOM 566 CA ALA A 162 49.958 8.354 -6.190 1.00 0.00 C ATOM 567 C ALA A 162 51.400 8.642 -6.590 1.00 0.00 C ATOM 568 O ALA A 162 51.982 7.949 -7.428 1.00 0.00 O ATOM 569 CB ALA A 162 49.078 9.540 -6.592 1.00 0.00 C ATOM 0 H ALA A 162 49.264 8.797 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 162 49.612 7.454 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.143 9.692 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 162 48.044 9.336 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.420 10.438 -6.078 1.00 0.00 H new ATOM 575 N LYS A 163 52.018 9.559 -5.841 1.00 0.00 N ATOM 576 CA LYS A 163 53.396 9.965 -6.118 1.00 0.00 C ATOM 577 C LYS A 163 54.319 8.744 -6.145 1.00 0.00 C ATOM 578 O LYS A 163 54.945 8.455 -7.164 1.00 0.00 O ATOM 579 CB LYS A 163 53.877 10.946 -5.045 1.00 0.00 C ATOM 580 CG LYS A 163 53.041 12.228 -5.107 1.00 0.00 C ATOM 581 CD LYS A 163 53.382 13.003 -6.383 1.00 0.00 C ATOM 582 CE LYS A 163 52.715 14.379 -6.340 1.00 0.00 C ATOM 583 NZ LYS A 163 53.027 15.121 -7.595 1.00 0.00 N ATOM 0 H LYS A 163 51.589 10.030 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 163 53.424 10.451 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.791 10.492 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.931 11.179 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.979 11.983 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.238 12.846 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.462 13.114 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 163 53.042 12.450 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 163 51.636 14.269 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 163 53.069 14.940 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 52.574 16.057 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 54.057 15.237 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 52.668 14.587 -8.412 1.00 0.00 H new ATOM 597 N LEU A 164 54.240 7.931 -5.091 1.00 0.00 N ATOM 598 CA LEU A 164 55.093 6.752 -4.962 1.00 0.00 C ATOM 599 C LEU A 164 54.871 5.766 -6.108 1.00 0.00 C ATOM 600 O LEU A 164 55.813 5.138 -6.574 1.00 0.00 O ATOM 601 CB LEU A 164 54.802 6.049 -3.635 1.00 0.00 C ATOM 602 CG LEU A 164 55.324 6.897 -2.473 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.814 6.318 -1.154 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.856 6.879 -2.475 1.00 0.00 C ATOM 0 H LEU A 164 53.593 8.069 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 164 56.129 7.088 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.730 5.888 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.275 5.067 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 164 54.971 7.922 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.185 6.920 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.724 6.327 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.169 5.293 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.228 7.483 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.208 5.854 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.223 7.288 -3.416 1.00 0.00 H new ATOM 616 N ILE A 165 53.625 5.650 -6.570 1.00 0.00 N ATOM 617 CA ILE A 165 53.278 4.633 -7.564 1.00 0.00 C ATOM 618 C ILE A 165 54.034 4.882 -8.872 1.00 0.00 C ATOM 619 O ILE A 165 54.551 3.942 -9.485 1.00 0.00 O ATOM 620 CB ILE A 165 51.751 4.604 -7.770 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.123 3.958 -6.530 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.378 3.774 -9.013 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.603 4.119 -6.554 1.00 0.00 C ATOM 0 H ILE A 165 52.847 6.240 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 165 53.583 3.651 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 165 51.385 5.620 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.382 2.900 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.529 4.417 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.295 3.769 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.842 4.213 -9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.733 2.751 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.174 3.654 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.350 5.179 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.200 3.638 -7.446 1.00 0.00 H new ATOM 635 N GLY A 166 54.192 6.151 -9.245 1.00 0.00 N ATOM 636 CA GLY A 166 55.006 6.484 -10.408 1.00 0.00 C ATOM 637 C GLY A 166 56.474 6.249 -10.075 1.00 0.00 C ATOM 638 O GLY A 166 57.197 5.556 -10.797 1.00 0.00 O ATOM 0 H GLY A 166 53.775 6.950 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.711 5.872 -11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.847 7.524 -10.692 1.00 0.00 H new ATOM 642 N TYR A 167 56.887 6.820 -8.946 1.00 0.00 N ATOM 643 CA TYR A 167 58.234 6.628 -8.415 1.00 0.00 C ATOM 644 C TYR A 167 58.526 5.154 -8.094 1.00 0.00 C ATOM 645 O TYR A 167 59.677 4.779 -7.891 1.00 0.00 O ATOM 646 CB TYR A 167 58.382 7.506 -7.164 1.00 0.00 C ATOM 647 CG TYR A 167 59.756 7.556 -6.551 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.809 8.216 -7.228 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.973 7.005 -5.267 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.086 8.312 -6.628 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.248 7.097 -4.663 1.00 0.00 C ATOM 652 CZ TYR A 167 62.308 7.751 -5.347 1.00 0.00 C ATOM 653 OH TYR A 167 63.559 7.839 -4.767 1.00 0.00 O ATOM 0 H TYR A 167 56.299 7.427 -8.375 1.00 0.00 H new ATOM 0 HA TYR A 167 58.962 6.921 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.083 8.522 -7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.682 7.149 -6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.637 8.647 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.164 6.513 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.891 8.812 -7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.416 6.671 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 167 63.866 8.769 -4.792 1.00 0.00 H new ATOM 663 N LYS A 168 57.475 4.341 -7.995 1.00 0.00 N ATOM 664 CA LYS A 168 57.634 2.901 -7.783 1.00 0.00 C ATOM 665 C LYS A 168 58.061 2.183 -9.068 1.00 0.00 C ATOM 666 O LYS A 168 59.005 1.391 -9.061 1.00 0.00 O ATOM 667 CB LYS A 168 56.309 2.313 -7.280 1.00 0.00 C ATOM 668 CG LYS A 168 56.269 2.359 -5.741 1.00 0.00 C ATOM 669 CD LYS A 168 54.858 2.019 -5.215 1.00 0.00 C ATOM 670 CE LYS A 168 54.385 0.648 -5.720 1.00 0.00 C ATOM 671 NZ LYS A 168 53.033 0.783 -6.333 1.00 0.00 N ATOM 0 H LYS A 168 56.506 4.653 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 168 58.419 2.752 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.471 2.876 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.203 1.285 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.993 1.653 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.561 3.351 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.864 2.024 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.154 2.788 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.090 0.255 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 168 54.353 -0.064 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 52.713 -0.145 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.363 1.140 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.078 1.449 -7.131 1.00 0.00 H new ATOM 685 N GLN A 169 57.360 2.470 -10.164 1.00 0.00 N ATOM 686 CA GLN A 169 57.482 1.651 -11.373 1.00 0.00 C ATOM 687 C GLN A 169 58.810 1.884 -12.106 1.00 0.00 C ATOM 688 O GLN A 169 59.512 0.930 -12.444 1.00 0.00 O ATOM 689 CB GLN A 169 56.323 1.960 -12.323 1.00 0.00 C ATOM 690 CG GLN A 169 55.005 1.514 -11.686 1.00 0.00 C ATOM 691 CD GLN A 169 53.848 1.781 -12.642 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.375 2.913 -12.745 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.361 0.801 -13.352 1.00 0.00 N ATOM 0 H GLN A 169 56.710 3.252 -10.242 1.00 0.00 H new ATOM 0 HA GLN A 169 57.454 0.607 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.291 3.028 -12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.471 1.447 -13.273 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.050 0.452 -11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.845 2.048 -10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.754 -0.136 -13.265 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.587 0.972 -13.994 1.00 0.00 H new ATOM 702 N ASN A 170 59.150 3.153 -12.340 1.00 0.00 N ATOM 703 CA ASN A 170 60.250 3.484 -13.265 1.00 0.00 C ATOM 704 C ASN A 170 61.598 3.768 -12.566 1.00 0.00 C ATOM 705 O ASN A 170 62.643 3.344 -13.064 1.00 0.00 O ATOM 706 CB ASN A 170 59.858 4.706 -14.096 1.00 0.00 C ATOM 707 CG ASN A 170 60.720 4.781 -15.352 1.00 0.00 C ATOM 708 OD1 ASN A 170 61.737 5.473 -15.367 1.00 0.00 O ATOM 709 ND2 ASN A 170 60.371 4.106 -16.413 1.00 0.00 N ATOM 0 H ASN A 170 58.693 3.959 -11.914 1.00 0.00 H new ATOM 0 HA ASN A 170 60.401 2.602 -13.888 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.805 4.647 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.982 5.613 -13.505 1.00 0.00 H new ATOM 0 HD21 ASN A 170 60.942 4.152 -17.257 1.00 0.00 H new ATOM 0 HD22 ASN A 170 59.527 3.533 -16.398 1.00 0.00 H new ATOM 716 N PRO A 171 61.610 4.451 -11.439 1.00 0.00 N ATOM 717 CA PRO A 171 62.864 5.046 -10.894 1.00 0.00 C ATOM 718 C PRO A 171 63.498 4.249 -9.755 1.00 0.00 C ATOM 719 O PRO A 171 63.137 4.409 -8.589 1.00 0.00 O ATOM 720 CB PRO A 171 62.444 6.432 -10.429 1.00 0.00 C ATOM 721 CG PRO A 171 61.007 6.311 -10.071 1.00 0.00 C ATOM 722 CD PRO A 171 60.453 5.051 -10.754 1.00 0.00 C ATOM 0 HA PRO A 171 63.644 5.056 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.036 6.755 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.592 7.172 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.888 6.242 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.457 7.194 -10.397 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.025 4.363 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.661 5.300 -11.461 1.00 0.00 H new ATOM 730 N GLN A 172 64.492 3.422 -10.095 1.00 0.00 N ATOM 731 CA GLN A 172 65.295 2.698 -9.085 1.00 0.00 C ATOM 732 C GLN A 172 65.774 3.610 -7.926 1.00 0.00 C ATOM 733 O GLN A 172 66.177 3.117 -6.869 1.00 0.00 O ATOM 734 CB GLN A 172 66.515 2.056 -9.754 1.00 0.00 C ATOM 735 CG GLN A 172 66.054 1.063 -10.825 1.00 0.00 C ATOM 736 CD GLN A 172 65.403 -0.153 -10.174 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.913 -0.676 -9.183 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.299 -0.637 -10.675 1.00 0.00 N ATOM 0 H GLN A 172 64.765 3.233 -11.059 1.00 0.00 H new ATOM 0 HA GLN A 172 64.645 1.936 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.142 2.826 -10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.124 1.545 -9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.346 1.546 -11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.905 0.749 -11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.878 -0.202 -11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.857 -1.450 -10.245 1.00 0.00 H new ATOM 747 N ALA A 173 65.656 4.932 -8.100 1.00 0.00 N ATOM 748 CA ALA A 173 66.166 5.895 -7.126 1.00 0.00 C ATOM 749 C ALA A 173 65.517 5.724 -5.738 1.00 0.00 C ATOM 750 O ALA A 173 65.988 6.316 -4.767 1.00 0.00 O ATOM 751 CB ALA A 173 65.873 7.308 -7.629 1.00 0.00 C ATOM 0 H ALA A 173 65.209 5.357 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 173 67.237 5.723 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.249 8.036 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.363 7.461 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.797 7.437 -7.746 1.00 0.00 H new ATOM 757 N ILE A 174 64.472 4.882 -5.627 1.00 0.00 N ATOM 758 CA ILE A 174 63.711 4.779 -4.375 1.00 0.00 C ATOM 759 C ILE A 174 64.625 4.388 -3.211 1.00 0.00 C ATOM 760 O ILE A 174 64.384 4.780 -2.070 1.00 0.00 O ATOM 761 CB ILE A 174 62.590 3.735 -4.500 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.765 4.008 -5.786 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.692 3.809 -3.252 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.487 3.158 -5.839 1.00 0.00 C ATOM 0 H ILE A 174 64.142 4.274 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 174 63.274 5.758 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 174 63.017 2.735 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.500 5.064 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.378 3.797 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.894 3.071 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.287 3.603 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.258 4.806 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.940 3.380 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.752 2.101 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.861 3.389 -4.977 1.00 0.00 H new ATOM 776 N GLY A 175 65.689 3.637 -3.515 1.00 0.00 N ATOM 777 CA GLY A 175 66.574 3.111 -2.475 1.00 0.00 C ATOM 778 C GLY A 175 67.130 4.231 -1.587 1.00 0.00 C ATOM 779 O GLY A 175 67.437 4.009 -0.415 1.00 0.00 O ATOM 0 H GLY A 175 65.955 3.382 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.028 2.395 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.399 2.570 -2.938 1.00 0.00 H new ATOM 783 N GLN A 176 67.254 5.432 -2.157 1.00 0.00 N ATOM 784 CA GLN A 176 67.780 6.576 -1.420 1.00 0.00 C ATOM 785 C GLN A 176 66.672 7.307 -0.667 1.00 0.00 C ATOM 786 O GLN A 176 66.903 7.860 0.411 1.00 0.00 O ATOM 787 CB GLN A 176 68.458 7.547 -2.390 1.00 0.00 C ATOM 788 CG GLN A 176 69.640 6.850 -3.067 1.00 0.00 C ATOM 789 CD GLN A 176 70.382 7.836 -3.962 1.00 0.00 C ATOM 790 OE1 GLN A 176 71.150 8.664 -3.473 1.00 0.00 O ATOM 791 NE2 GLN A 176 70.197 7.798 -5.254 1.00 0.00 N ATOM 0 H GLN A 176 66.997 5.634 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 176 68.504 6.206 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.744 7.886 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.802 8.432 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.317 6.449 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.285 6.005 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 176 69.560 7.111 -5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 176 70.689 8.455 -5.859 1.00 0.00 H new ATOM 800 N ASP A 177 65.468 7.299 -1.239 1.00 0.00 N ATOM 801 CA ASP A 177 64.369 8.073 -0.682 1.00 0.00 C ATOM 802 C ASP A 177 63.811 7.417 0.576 1.00 0.00 C ATOM 803 O ASP A 177 63.132 8.077 1.359 1.00 0.00 O ATOM 804 CB ASP A 177 63.250 8.282 -1.716 1.00 0.00 C ATOM 805 CG ASP A 177 63.479 9.570 -2.522 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.352 10.343 -2.158 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.750 9.780 -3.476 1.00 0.00 O ATOM 0 H ASP A 177 65.234 6.770 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 177 64.769 9.050 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.210 7.428 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.286 8.332 -1.209 1.00 0.00 H new ATOM 812 N LEU A 178 64.067 6.114 0.772 1.00 0.00 N ATOM 813 CA LEU A 178 63.651 5.449 2.015 1.00 0.00 C ATOM 814 C LEU A 178 64.196 6.223 3.227 1.00 0.00 C ATOM 815 O LEU A 178 63.463 6.558 4.157 1.00 0.00 O ATOM 816 CB LEU A 178 64.187 4.006 2.082 1.00 0.00 C ATOM 817 CG LEU A 178 63.905 3.203 0.801 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.688 1.892 0.875 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.415 2.865 0.692 1.00 0.00 C ATOM 0 H LEU A 178 64.548 5.513 0.103 1.00 0.00 H new ATOM 0 HA LEU A 178 62.561 5.428 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.262 4.031 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.735 3.495 2.932 1.00 0.00 H new ATOM 0 HG LEU A 178 64.201 3.797 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.502 1.306 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.753 2.108 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.367 1.326 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.237 2.297 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.113 2.271 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.834 3.787 0.665 1.00 0.00 H new ATOM 831 N PHE A 179 65.504 6.493 3.185 1.00 0.00 N ATOM 832 CA PHE A 179 66.180 7.281 4.219 1.00 0.00 C ATOM 833 C PHE A 179 65.430 8.585 4.524 1.00 0.00 C ATOM 834 O PHE A 179 65.427 9.055 5.663 1.00 0.00 O ATOM 835 CB PHE A 179 67.599 7.606 3.757 1.00 0.00 C ATOM 836 CG PHE A 179 68.478 6.388 3.605 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.134 5.841 4.734 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.645 5.790 2.331 1.00 0.00 C ATOM 839 CE1 PHE A 179 69.959 4.698 4.592 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.469 4.647 2.188 1.00 0.00 C ATOM 841 CZ PHE A 179 70.126 4.102 3.318 1.00 0.00 C ATOM 0 H PHE A 179 66.121 6.174 2.438 1.00 0.00 H new ATOM 0 HA PHE A 179 66.204 6.688 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.550 8.130 2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.058 8.288 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.005 6.296 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.144 6.206 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.460 4.282 5.454 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.596 4.191 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 179 70.755 3.231 3.208 1.00 0.00 H new ATOM 851 N THR A 180 64.801 9.158 3.499 1.00 0.00 N ATOM 852 CA THR A 180 64.044 10.404 3.667 1.00 0.00 C ATOM 853 C THR A 180 62.579 10.114 4.029 1.00 0.00 C ATOM 854 O THR A 180 61.928 10.911 4.707 1.00 0.00 O ATOM 855 CB THR A 180 64.098 11.236 2.378 1.00 0.00 C ATOM 856 OG1 THR A 180 63.325 10.601 1.370 1.00 0.00 O ATOM 857 CG2 THR A 180 65.549 11.369 1.902 1.00 0.00 C ATOM 0 H THR A 180 64.798 8.785 2.549 1.00 0.00 H new ATOM 0 HA THR A 180 64.500 10.966 4.482 1.00 0.00 H new ATOM 0 HB THR A 180 63.694 12.229 2.577 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.350 9.630 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.579 11.961 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.141 11.863 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.960 10.379 1.707 1.00 0.00 H new ATOM 865 N ASP A 181 62.076 8.968 3.567 1.00 0.00 N ATOM 866 CA ASP A 181 60.688 8.585 3.813 1.00 0.00 C ATOM 867 C ASP A 181 60.615 7.437 4.826 1.00 0.00 C ATOM 868 O ASP A 181 60.953 6.299 4.496 1.00 0.00 O ATOM 869 CB ASP A 181 60.016 8.165 2.501 1.00 0.00 C ATOM 870 CG ASP A 181 58.513 8.473 2.537 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.010 8.810 3.599 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.886 8.372 1.496 1.00 0.00 O ATOM 0 H ASP A 181 62.609 8.291 3.021 1.00 0.00 H new ATOM 0 HA ASP A 181 60.162 9.447 4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.480 8.689 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.170 7.099 2.333 1.00 0.00 H new ATOM 877 N PRO A 182 60.157 7.699 6.036 1.00 0.00 N ATOM 878 CA PRO A 182 60.281 6.710 7.151 1.00 0.00 C ATOM 879 C PRO A 182 59.444 5.454 6.913 1.00 0.00 C ATOM 880 O PRO A 182 59.948 4.336 7.030 1.00 0.00 O ATOM 881 CB PRO A 182 59.787 7.472 8.384 1.00 0.00 C ATOM 882 CG PRO A 182 58.886 8.533 7.856 1.00 0.00 C ATOM 883 CD PRO A 182 59.418 8.902 6.474 1.00 0.00 C ATOM 0 HA PRO A 182 61.304 6.348 7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.256 6.810 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.620 7.904 8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.859 8.174 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.881 9.401 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.607 9.143 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.069 9.775 6.518 1.00 0.00 H new ATOM 891 N ARG A 183 58.167 5.643 6.575 1.00 0.00 N ATOM 892 CA ARG A 183 57.245 4.512 6.441 1.00 0.00 C ATOM 893 C ARG A 183 57.657 3.585 5.301 1.00 0.00 C ATOM 894 O ARG A 183 57.533 2.368 5.426 1.00 0.00 O ATOM 895 CB ARG A 183 55.814 4.996 6.203 1.00 0.00 C ATOM 896 CG ARG A 183 55.376 5.901 7.357 1.00 0.00 C ATOM 897 CD ARG A 183 53.901 6.258 7.182 1.00 0.00 C ATOM 898 NE ARG A 183 53.299 6.631 8.462 1.00 0.00 N ATOM 899 CZ ARG A 183 53.549 7.804 9.062 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.388 8.670 8.547 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.941 8.087 10.180 1.00 0.00 N ATOM 0 H ARG A 183 57.751 6.556 6.391 1.00 0.00 H new ATOM 0 HA ARG A 183 57.287 3.957 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.756 5.539 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.140 4.143 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.530 5.395 8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.982 6.807 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.804 7.082 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.365 5.409 6.757 1.00 0.00 H new ATOM 0 HE ARG A 183 52.665 5.974 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.867 8.458 7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.562 9.556 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.285 7.420 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.121 8.975 10.648 1.00 0.00 H new ATOM 915 N LEU A 184 58.199 4.152 4.214 1.00 0.00 N ATOM 916 CA LEU A 184 58.631 3.341 3.063 1.00 0.00 C ATOM 917 C LEU A 184 59.533 2.189 3.522 1.00 0.00 C ATOM 918 O LEU A 184 59.464 1.078 2.993 1.00 0.00 O ATOM 919 CB LEU A 184 59.392 4.208 2.046 1.00 0.00 C ATOM 920 CG LEU A 184 58.422 4.808 1.017 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.177 5.799 0.123 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.836 3.694 0.141 1.00 0.00 C ATOM 0 H LEU A 184 58.348 5.155 4.106 1.00 0.00 H new ATOM 0 HA LEU A 184 57.739 2.931 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.921 5.007 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.144 3.606 1.537 1.00 0.00 H new ATOM 0 HG LEU A 184 57.616 5.319 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.490 6.226 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.596 6.597 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.983 5.280 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.149 4.126 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.643 3.180 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.299 2.982 0.768 1.00 0.00 H new ATOM 934 N MET A 185 60.335 2.452 4.551 1.00 0.00 N ATOM 935 CA MET A 185 61.210 1.425 5.100 1.00 0.00 C ATOM 936 C MET A 185 60.396 0.314 5.771 1.00 0.00 C ATOM 937 O MET A 185 60.630 -0.862 5.518 1.00 0.00 O ATOM 938 CB MET A 185 62.188 2.042 6.095 1.00 0.00 C ATOM 939 CG MET A 185 63.212 2.880 5.332 1.00 0.00 C ATOM 940 SD MET A 185 64.544 3.379 6.450 1.00 0.00 S ATOM 941 CE MET A 185 65.874 3.382 5.222 1.00 0.00 C ATOM 0 H MET A 185 60.396 3.358 5.016 1.00 0.00 H new ATOM 0 HA MET A 185 61.775 0.983 4.279 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.653 2.664 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.691 1.259 6.663 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.619 2.306 4.499 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.731 3.761 4.907 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.834 3.492 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.860 2.443 4.668 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.729 4.213 4.531 1.00 0.00 H new ATOM 951 N THR A 186 59.354 0.690 6.517 1.00 0.00 N ATOM 952 CA THR A 186 58.523 -0.298 7.221 1.00 0.00 C ATOM 953 C THR A 186 57.883 -1.269 6.221 1.00 0.00 C ATOM 954 O THR A 186 57.765 -2.468 6.483 1.00 0.00 O ATOM 955 CB THR A 186 57.431 0.424 8.025 1.00 0.00 C ATOM 956 OG1 THR A 186 58.034 1.412 8.851 1.00 0.00 O ATOM 957 CG2 THR A 186 56.668 -0.575 8.902 1.00 0.00 C ATOM 0 H THR A 186 59.066 1.659 6.650 1.00 0.00 H new ATOM 0 HA THR A 186 59.154 -0.869 7.902 1.00 0.00 H new ATOM 0 HB THR A 186 56.731 0.893 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.341 1.877 9.365 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.897 -0.050 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.203 -1.332 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.360 -1.055 9.594 1.00 0.00 H new ATOM 965 N ILE A 187 57.503 -0.734 5.058 1.00 0.00 N ATOM 966 CA ILE A 187 57.021 -1.563 3.944 1.00 0.00 C ATOM 967 C ILE A 187 58.068 -2.626 3.589 1.00 0.00 C ATOM 968 O ILE A 187 57.755 -3.808 3.435 1.00 0.00 O ATOM 969 CB ILE A 187 56.759 -0.674 2.712 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.692 0.379 3.044 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.282 -1.539 1.542 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.548 1.364 1.878 1.00 0.00 C ATOM 0 H ILE A 187 57.519 0.267 4.861 1.00 0.00 H new ATOM 0 HA ILE A 187 56.096 -2.055 4.244 1.00 0.00 H new ATOM 0 HB ILE A 187 57.685 -0.170 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.737 -0.108 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 187 55.968 0.915 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.098 -0.907 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.047 -2.276 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.361 -2.051 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.789 2.108 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.501 1.862 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.251 0.823 0.979 1.00 0.00 H new ATOM 984 N MET A 188 59.316 -2.182 3.502 1.00 0.00 N ATOM 985 CA MET A 188 60.423 -3.063 3.143 1.00 0.00 C ATOM 986 C MET A 188 60.542 -4.217 4.139 1.00 0.00 C ATOM 987 O MET A 188 60.753 -5.365 3.754 1.00 0.00 O ATOM 988 CB MET A 188 61.728 -2.269 3.135 1.00 0.00 C ATOM 989 CG MET A 188 61.597 -1.043 2.209 1.00 0.00 C ATOM 990 SD MET A 188 62.690 -1.206 0.776 1.00 0.00 S ATOM 991 CE MET A 188 61.514 -2.033 -0.325 1.00 0.00 C ATOM 0 H MET A 188 59.588 -1.214 3.675 1.00 0.00 H new ATOM 0 HA MET A 188 60.230 -3.473 2.152 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.972 -1.946 4.147 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.547 -2.904 2.797 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.564 -0.941 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.845 -0.136 2.761 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.583 -1.599 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.748 -3.096 -0.375 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.502 -1.902 0.059 1.00 0.00 H new ATOM 1001 N ALA A 189 60.394 -3.892 5.420 1.00 0.00 N ATOM 1002 CA ALA A 189 60.462 -4.891 6.497 1.00 0.00 C ATOM 1003 C ALA A 189 59.470 -6.045 6.287 1.00 0.00 C ATOM 1004 O ALA A 189 59.871 -7.206 6.235 1.00 0.00 O ATOM 1005 CB ALA A 189 60.170 -4.217 7.839 1.00 0.00 C ATOM 0 H ALA A 189 60.225 -2.940 5.745 1.00 0.00 H new ATOM 0 HA ALA A 189 61.468 -5.311 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.221 -4.958 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.908 -3.436 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.173 -3.776 7.816 1.00 0.00 H new ATOM 1011 N THR A 190 58.181 -5.721 6.125 1.00 0.00 N ATOM 1012 CA THR A 190 57.150 -6.761 5.930 1.00 0.00 C ATOM 1013 C THR A 190 57.511 -7.681 4.754 1.00 0.00 C ATOM 1014 O THR A 190 57.465 -8.907 4.873 1.00 0.00 O ATOM 1015 CB THR A 190 55.779 -6.116 5.646 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.961 -4.864 4.986 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.991 -5.921 6.949 1.00 0.00 C ATOM 0 H THR A 190 57.826 -4.765 6.124 1.00 0.00 H new ATOM 0 HA THR A 190 57.101 -7.348 6.847 1.00 0.00 H new ATOM 0 HB THR A 190 55.207 -6.781 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.682 -4.944 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.027 -5.464 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.833 -6.888 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.553 -5.272 7.620 1.00 0.00 H new ATOM 1025 N LEU A 191 57.866 -7.069 3.631 1.00 0.00 N ATOM 1026 CA LEU A 191 58.229 -7.820 2.422 1.00 0.00 C ATOM 1027 C LEU A 191 59.396 -8.779 2.686 1.00 0.00 C ATOM 1028 O LEU A 191 59.295 -9.982 2.443 1.00 0.00 O ATOM 1029 CB LEU A 191 58.632 -6.838 1.324 1.00 0.00 C ATOM 1030 CG LEU A 191 57.398 -6.077 0.828 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.820 -4.680 0.357 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.767 -6.841 -0.340 1.00 0.00 C ATOM 0 H LEU A 191 57.912 -6.055 3.526 1.00 0.00 H new ATOM 0 HA LEU A 191 57.364 -8.408 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.374 -6.136 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.096 -7.374 0.497 1.00 0.00 H new ATOM 0 HG LEU A 191 56.673 -5.985 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.945 -4.135 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.274 -4.138 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.542 -4.772 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.889 -6.302 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.491 -6.929 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.472 -7.836 -0.007 1.00 0.00 H new ATOM 1044 N MET A 192 60.494 -8.226 3.186 1.00 0.00 N ATOM 1045 CA MET A 192 61.718 -8.995 3.412 1.00 0.00 C ATOM 1046 C MET A 192 61.594 -9.950 4.600 1.00 0.00 C ATOM 1047 O MET A 192 62.287 -10.967 4.658 1.00 0.00 O ATOM 1048 CB MET A 192 62.871 -8.036 3.662 1.00 0.00 C ATOM 1049 CG MET A 192 63.290 -7.389 2.338 1.00 0.00 C ATOM 1050 SD MET A 192 64.441 -8.479 1.464 1.00 0.00 S ATOM 1051 CE MET A 192 65.841 -8.281 2.592 1.00 0.00 C ATOM 0 H MET A 192 60.565 -7.242 3.445 1.00 0.00 H new ATOM 0 HA MET A 192 61.898 -9.597 2.521 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.572 -7.269 4.376 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.714 -8.570 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.412 -7.201 1.720 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.760 -6.424 2.526 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.772 -8.324 2.027 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.767 -7.318 3.098 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.828 -9.081 3.332 1.00 0.00 H new ATOM 1061 N GLY A 193 60.711 -9.621 5.539 1.00 0.00 N ATOM 1062 CA GLY A 193 60.687 -10.293 6.833 1.00 0.00 C ATOM 1063 C GLY A 193 59.864 -11.582 6.777 1.00 0.00 C ATOM 1064 O GLY A 193 59.818 -12.338 7.747 1.00 0.00 O ATOM 0 H GLY A 193 60.004 -8.894 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.706 -10.523 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.268 -9.624 7.584 1.00 0.00 H new