USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 THR OG1 : rot -89:sc= -0.0322 USER MOD Set 1.2: A 172 GLN : amide:sc= -0.108 K(o=-0.14,f=-1.5) USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 140 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.81) USER MOD Single : A 144 ASN : amide:sc= -0.0917 K(o=-0.092,f=-0.83) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 150 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.919 USER MOD Single : A 152 SER OG : rot -97:sc= 1.32 USER MOD Single : A 154 MET CE :methyl -156:sc= -0.474 (180deg=-1.66) USER MOD Single : A 155 MET CE :methyl 180:sc=-0.00021 (180deg=-0.00021) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.55) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot 63:sc= -1.66 USER MOD Single : A 168 LYS NZ :NH3+ 170:sc= -0.303 (180deg=-0.487) 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=-0.0038) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 THR OG1 : rot -31:sc= 1.17 USER MOD Single : A 185 MET CE :methyl -154:sc= -2.68! (180deg=-3.47!) USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl 138:sc= -5.76! (180deg=-9.65!) USER MOD Single : A 190 THR OG1 : rot 46:sc= 1.04 USER MOD Single : A 192 MET CE :methyl -145:sc= -0.394 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 133 63.076 -1.138 -4.880 1.00 0.00 N ATOM 92 CA THR A 133 62.059 -0.773 -5.869 1.00 0.00 C ATOM 93 C THR A 133 61.338 -1.995 -6.413 1.00 0.00 C ATOM 94 O THR A 133 60.127 -1.972 -6.566 1.00 0.00 O ATOM 95 CB THR A 133 62.715 -0.011 -7.030 1.00 0.00 C ATOM 96 OG1 THR A 133 63.533 -0.902 -7.775 1.00 0.00 O ATOM 97 CG2 THR A 133 63.576 1.142 -6.493 1.00 0.00 C ATOM 0 HA THR A 133 61.324 -0.140 -5.371 1.00 0.00 H new ATOM 0 HB THR A 133 61.934 0.399 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 133 64.437 -0.911 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 133 64.035 1.673 -7.327 1.00 0.00 H new ATOM 0 HG22 THR A 133 62.950 1.830 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 133 64.356 0.742 -5.845 1.00 0.00 H new ATOM 105 N GLN A 134 62.075 -3.077 -6.643 1.00 0.00 N ATOM 106 CA GLN A 134 61.500 -4.268 -7.275 1.00 0.00 C ATOM 107 C GLN A 134 60.252 -4.755 -6.532 1.00 0.00 C ATOM 108 O GLN A 134 59.228 -5.039 -7.156 1.00 0.00 O ATOM 109 CB GLN A 134 62.540 -5.386 -7.324 1.00 0.00 C ATOM 110 CG GLN A 134 63.660 -5.002 -8.294 1.00 0.00 C ATOM 111 CD GLN A 134 64.727 -6.092 -8.323 1.00 0.00 C ATOM 112 OE1 GLN A 134 64.998 -6.725 -7.302 1.00 0.00 O ATOM 113 NE2 GLN A 134 65.352 -6.350 -9.439 1.00 0.00 N ATOM 0 H GLN A 134 63.064 -3.158 -6.405 1.00 0.00 H new ATOM 0 HA GLN A 134 61.204 -3.996 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 134 62.950 -5.559 -6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 134 62.073 -6.318 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 134 63.251 -4.856 -9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 134 64.105 -4.055 -7.990 1.00 0.00 H new ATOM 0 HE21 GLN A 134 65.126 -5.824 -10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 134 66.067 -7.077 -9.467 1.00 0.00 H new ATOM 122 N LEU A 135 60.312 -4.775 -5.201 1.00 0.00 N ATOM 123 CA LEU A 135 59.201 -5.298 -4.406 1.00 0.00 C ATOM 124 C LEU A 135 57.915 -4.506 -4.634 1.00 0.00 C ATOM 125 O LEU A 135 56.889 -5.079 -5.006 1.00 0.00 O ATOM 126 CB LEU A 135 59.555 -5.233 -2.927 1.00 0.00 C ATOM 127 CG LEU A 135 60.691 -6.204 -2.622 1.00 0.00 C ATOM 128 CD1 LEU A 135 61.197 -5.947 -1.204 1.00 0.00 C ATOM 129 CD2 LEU A 135 60.168 -7.637 -2.728 1.00 0.00 C ATOM 0 H LEU A 135 61.107 -4.440 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 135 59.033 -6.328 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 135 59.850 -4.219 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 135 58.682 -5.481 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 135 61.505 -6.061 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 135 62.010 -6.637 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 135 61.559 -4.922 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 135 60.384 -6.099 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 135 60.976 -8.336 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 135 59.359 -7.783 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 135 59.796 -7.815 -3.737 1.00 0.00 H new ATOM 141 N PHE A 136 57.972 -3.190 -4.418 1.00 0.00 N ATOM 142 CA PHE A 136 56.825 -2.334 -4.724 1.00 0.00 C ATOM 143 C PHE A 136 56.659 -1.992 -6.205 1.00 0.00 C ATOM 144 O PHE A 136 55.528 -1.840 -6.669 1.00 0.00 O ATOM 145 CB PHE A 136 56.707 -1.111 -3.804 1.00 0.00 C ATOM 146 CG PHE A 136 57.977 -0.558 -3.219 1.00 0.00 C ATOM 147 CD1 PHE A 136 58.948 0.102 -4.004 1.00 0.00 C ATOM 148 CD2 PHE A 136 58.151 -0.669 -1.824 1.00 0.00 C ATOM 149 CE1 PHE A 136 60.102 0.643 -3.376 1.00 0.00 C ATOM 150 CE2 PHE A 136 59.297 -0.133 -1.203 1.00 0.00 C ATOM 151 CZ PHE A 136 60.274 0.524 -1.978 1.00 0.00 C ATOM 0 H PHE A 136 58.784 -2.702 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 136 55.964 -2.961 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 136 56.220 -0.314 -4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 136 56.043 -1.373 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 136 58.815 0.195 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 136 57.401 -1.168 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 136 60.851 1.147 -3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 136 59.426 -0.226 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 136 61.153 0.936 -1.504 1.00 0.00 H new ATOM 161 N ALA A 137 57.745 -1.975 -6.969 1.00 0.00 N ATOM 162 CA ALA A 137 57.639 -1.705 -8.412 1.00 0.00 C ATOM 163 C ALA A 137 56.716 -2.730 -9.085 1.00 0.00 C ATOM 164 O ALA A 137 56.124 -2.455 -10.129 1.00 0.00 O ATOM 165 CB ALA A 137 59.018 -1.745 -9.073 1.00 0.00 C ATOM 0 H ALA A 137 58.693 -2.140 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 137 57.216 -0.708 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 137 58.916 -1.543 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 137 59.661 -0.990 -8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 137 59.461 -2.731 -8.931 1.00 0.00 H new ATOM 171 N ASP A 138 56.602 -3.914 -8.473 1.00 0.00 N ATOM 172 CA ASP A 138 55.573 -4.890 -8.850 1.00 0.00 C ATOM 173 C ASP A 138 54.172 -4.257 -8.756 1.00 0.00 C ATOM 174 O ASP A 138 53.934 -3.410 -7.894 1.00 0.00 O ATOM 175 CB ASP A 138 55.654 -6.093 -7.890 1.00 0.00 C ATOM 176 CG ASP A 138 55.215 -7.397 -8.565 1.00 0.00 C ATOM 177 OD1 ASP A 138 55.042 -7.405 -9.770 1.00 0.00 O ATOM 178 OD2 ASP A 138 55.058 -8.376 -7.854 1.00 0.00 O ATOM 0 H ASP A 138 57.210 -4.220 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 138 55.743 -5.213 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 138 56.676 -6.199 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 138 55.025 -5.905 -7.020 1.00 0.00 H new ATOM 183 N PRO A 139 53.254 -4.637 -9.621 1.00 0.00 N ATOM 184 CA PRO A 139 51.802 -4.337 -9.407 1.00 0.00 C ATOM 185 C PRO A 139 51.250 -5.043 -8.172 1.00 0.00 C ATOM 186 O PRO A 139 51.863 -5.981 -7.660 1.00 0.00 O ATOM 187 CB PRO A 139 51.105 -4.834 -10.684 1.00 0.00 C ATOM 188 CG PRO A 139 52.112 -5.671 -11.393 1.00 0.00 C ATOM 189 CD PRO A 139 53.474 -5.114 -10.996 1.00 0.00 C ATOM 0 HA PRO A 139 51.636 -3.274 -9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 139 50.214 -5.414 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 139 50.783 -3.998 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 139 52.020 -6.719 -11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 139 51.970 -5.622 -12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 139 54.250 -5.879 -11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 139 53.787 -4.306 -11.657 1.00 0.00 H new ATOM 197 N ASN A 140 50.052 -4.620 -7.750 1.00 0.00 N ATOM 198 CA ASN A 140 49.502 -4.896 -6.402 1.00 0.00 C ATOM 199 C ASN A 140 50.510 -5.464 -5.391 1.00 0.00 C ATOM 200 O ASN A 140 50.524 -6.670 -5.130 1.00 0.00 O ATOM 201 CB ASN A 140 48.325 -5.875 -6.532 1.00 0.00 C ATOM 202 CG ASN A 140 47.293 -5.348 -7.527 1.00 0.00 C ATOM 203 OD1 ASN A 140 47.136 -4.136 -7.682 1.00 0.00 O ATOM 204 ND2 ASN A 140 46.588 -6.193 -8.227 1.00 0.00 N ATOM 0 H ASN A 140 49.424 -4.070 -8.336 1.00 0.00 H new ATOM 0 HA ASN A 140 49.194 -3.928 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 140 48.690 -6.849 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 140 47.857 -6.021 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 140 45.906 -5.851 -8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 140 46.719 -7.196 -8.098 1.00 0.00 H new ATOM 211 N LEU A 141 51.370 -4.606 -4.845 1.00 0.00 N ATOM 212 CA LEU A 141 52.008 -4.919 -3.567 1.00 0.00 C ATOM 213 C LEU A 141 51.458 -4.028 -2.441 1.00 0.00 C ATOM 214 O LEU A 141 51.562 -4.378 -1.265 1.00 0.00 O ATOM 215 CB LEU A 141 53.522 -4.717 -3.682 1.00 0.00 C ATOM 216 CG LEU A 141 54.221 -5.341 -2.468 1.00 0.00 C ATOM 217 CD1 LEU A 141 54.116 -6.872 -2.542 1.00 0.00 C ATOM 218 CD2 LEU A 141 55.697 -4.920 -2.449 1.00 0.00 C ATOM 0 H LEU A 141 51.637 -3.711 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 141 51.790 -5.959 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 141 53.891 -5.174 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 141 53.753 -3.653 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 141 53.738 -4.993 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 141 54.614 -7.313 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 141 53.066 -7.165 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 141 54.594 -7.226 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 141 56.191 -5.365 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 141 56.185 -5.262 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 141 55.765 -3.834 -2.386 1.00 0.00 H new ATOM 230 N ILE A 142 50.756 -2.946 -2.807 1.00 0.00 N ATOM 231 CA ILE A 142 50.187 -2.048 -1.804 1.00 0.00 C ATOM 232 C ILE A 142 49.087 -2.744 -0.994 1.00 0.00 C ATOM 233 O ILE A 142 48.931 -2.462 0.193 1.00 0.00 O ATOM 234 CB ILE A 142 49.680 -0.740 -2.470 1.00 0.00 C ATOM 235 CG1 ILE A 142 50.883 0.200 -2.717 1.00 0.00 C ATOM 236 CG2 ILE A 142 48.662 -0.020 -1.560 1.00 0.00 C ATOM 237 CD1 ILE A 142 50.434 1.449 -3.495 1.00 0.00 C ATOM 0 H ILE A 142 50.573 -2.678 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 142 50.973 -1.777 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 142 49.192 -0.994 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 142 51.324 0.495 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 142 51.656 -0.327 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 142 48.321 0.893 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 142 47.810 -0.675 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 142 49.136 0.230 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 142 51.291 2.102 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 142 50.015 1.148 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 142 49.678 1.983 -2.920 1.00 0.00 H new ATOM 249 N GLU A 143 48.350 -3.675 -1.603 1.00 0.00 N ATOM 250 CA GLU A 143 47.188 -4.263 -0.924 1.00 0.00 C ATOM 251 C GLU A 143 47.615 -5.033 0.326 1.00 0.00 C ATOM 252 O GLU A 143 47.117 -4.789 1.426 1.00 0.00 O ATOM 253 CB GLU A 143 46.472 -5.222 -1.875 1.00 0.00 C ATOM 254 CG GLU A 143 45.776 -4.422 -2.977 1.00 0.00 C ATOM 255 CD GLU A 143 44.980 -5.353 -3.888 1.00 0.00 C ATOM 256 OE1 GLU A 143 45.441 -6.458 -4.129 1.00 0.00 O ATOM 257 OE2 GLU A 143 43.919 -4.947 -4.333 1.00 0.00 O ATOM 0 H GLU A 143 48.528 -4.033 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 143 46.521 -3.453 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 143 47.187 -5.918 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 143 45.742 -5.817 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 143 45.111 -3.681 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 143 46.516 -3.876 -3.562 1.00 0.00 H new ATOM 264 N ASN A 144 48.622 -5.889 0.170 1.00 0.00 N ATOM 265 CA ASN A 144 49.228 -6.580 1.311 1.00 0.00 C ATOM 266 C ASN A 144 49.686 -5.575 2.371 1.00 0.00 C ATOM 267 O ASN A 144 49.557 -5.816 3.572 1.00 0.00 O ATOM 268 CB ASN A 144 50.428 -7.398 0.826 1.00 0.00 C ATOM 269 CG ASN A 144 49.992 -8.394 -0.249 1.00 0.00 C ATOM 270 OD1 ASN A 144 48.854 -8.864 -0.240 1.00 0.00 O ATOM 271 ND2 ASN A 144 50.821 -8.706 -1.209 1.00 0.00 N ATOM 0 H ASN A 144 49.037 -6.122 -0.732 1.00 0.00 H new ATOM 0 HA ASN A 144 48.485 -7.240 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 144 51.193 -6.732 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 144 50.876 -7.931 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 144 50.526 -9.339 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 144 51.764 -8.316 -1.216 1.00 0.00 H new ATOM 278 N LEU A 145 50.219 -4.453 1.901 1.00 0.00 N ATOM 279 CA LEU A 145 50.638 -3.374 2.790 1.00 0.00 C ATOM 280 C LEU A 145 49.458 -2.740 3.526 1.00 0.00 C ATOM 281 O LEU A 145 49.653 -2.079 4.545 1.00 0.00 O ATOM 282 CB LEU A 145 51.432 -2.317 2.021 1.00 0.00 C ATOM 283 CG LEU A 145 52.645 -2.978 1.354 1.00 0.00 C ATOM 284 CD1 LEU A 145 53.416 -1.932 0.551 1.00 0.00 C ATOM 285 CD2 LEU A 145 53.568 -3.589 2.420 1.00 0.00 C ATOM 0 H LEU A 145 50.371 -4.266 0.910 1.00 0.00 H new ATOM 0 HA LEU A 145 51.287 -3.814 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 145 50.799 -1.848 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 145 51.760 -1.528 2.698 1.00 0.00 H new ATOM 0 HG LEU A 145 52.298 -3.769 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 145 54.278 -2.400 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 145 52.766 -1.509 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 145 53.755 -1.139 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 145 54.425 -4.055 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 145 53.914 -2.805 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 145 53.020 -4.340 2.988 1.00 0.00 H new ATOM 297 N LYS A 146 48.262 -2.814 2.943 1.00 0.00 N ATOM 298 CA LYS A 146 47.071 -2.292 3.613 1.00 0.00 C ATOM 299 C LYS A 146 46.818 -3.011 4.947 1.00 0.00 C ATOM 300 O LYS A 146 46.597 -2.366 5.973 1.00 0.00 O ATOM 301 CB LYS A 146 45.834 -2.460 2.724 1.00 0.00 C ATOM 302 CG LYS A 146 46.021 -1.678 1.423 1.00 0.00 C ATOM 303 CD LYS A 146 44.725 -1.720 0.611 1.00 0.00 C ATOM 304 CE LYS A 146 43.678 -0.821 1.272 1.00 0.00 C ATOM 305 NZ LYS A 146 42.473 -0.738 0.399 1.00 0.00 N ATOM 0 H LYS A 146 48.093 -3.223 2.024 1.00 0.00 H new ATOM 0 HA LYS A 146 47.249 -1.234 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 146 45.673 -3.516 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 146 44.947 -2.105 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 146 46.291 -0.645 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 146 46.839 -2.106 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 146 44.912 -1.388 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 146 44.355 -2.743 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 146 43.406 -1.220 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 146 44.090 0.175 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 41.761 -0.127 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 42.740 -0.339 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 42.077 -1.690 0.263 1.00 0.00 H new ATOM 319 N LYS A 147 46.820 -4.349 4.919 1.00 0.00 N ATOM 320 CA LYS A 147 46.257 -5.110 6.043 1.00 0.00 C ATOM 321 C LYS A 147 47.219 -5.334 7.230 1.00 0.00 C ATOM 322 O LYS A 147 46.814 -5.133 8.378 1.00 0.00 O ATOM 323 CB LYS A 147 45.775 -6.471 5.537 1.00 0.00 C ATOM 324 CG LYS A 147 44.631 -6.269 4.541 1.00 0.00 C ATOM 325 CD LYS A 147 43.987 -7.620 4.218 1.00 0.00 C ATOM 326 CE LYS A 147 44.941 -8.450 3.356 1.00 0.00 C ATOM 327 NZ LYS A 147 44.413 -9.838 3.226 1.00 0.00 N ATOM 0 H LYS A 147 47.193 -4.914 4.156 1.00 0.00 H new ATOM 0 HA LYS A 147 45.441 -4.500 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 147 46.597 -7.005 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 147 45.439 -7.084 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 147 43.887 -5.591 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 147 45.007 -5.807 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 147 43.756 -8.154 5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 147 43.044 -7.469 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 147 45.046 -7.996 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 147 45.933 -8.468 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 45.061 -10.402 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 44.334 -10.269 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 43.475 -9.812 2.778 1.00 0.00 H new ATOM 341 N ASN A 148 48.480 -5.734 6.980 1.00 0.00 N ATOM 342 CA ASN A 148 49.321 -6.197 8.108 1.00 0.00 C ATOM 343 C ASN A 148 50.385 -5.188 8.588 1.00 0.00 C ATOM 344 O ASN A 148 50.878 -5.322 9.711 1.00 0.00 O ATOM 345 CB ASN A 148 50.033 -7.489 7.675 1.00 0.00 C ATOM 346 CG ASN A 148 50.792 -8.112 8.847 1.00 0.00 C ATOM 347 OD1 ASN A 148 50.195 -8.779 9.692 1.00 0.00 O ATOM 348 ND2 ASN A 148 52.081 -7.929 8.943 1.00 0.00 N ATOM 0 H ASN A 148 48.924 -5.749 6.062 1.00 0.00 H new ATOM 0 HA ASN A 148 48.647 -6.342 8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 148 49.302 -8.200 7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 148 50.726 -7.272 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 148 52.598 -8.340 9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 148 52.571 -7.376 8.240 1.00 0.00 H new ATOM 355 N PRO A 149 50.753 -4.205 7.802 1.00 0.00 N ATOM 356 CA PRO A 149 51.764 -3.203 8.241 1.00 0.00 C ATOM 357 C PRO A 149 51.171 -1.828 8.536 1.00 0.00 C ATOM 358 O PRO A 149 50.215 -1.398 7.892 1.00 0.00 O ATOM 359 CB PRO A 149 52.729 -3.139 7.063 1.00 0.00 C ATOM 360 CG PRO A 149 51.917 -3.487 5.860 1.00 0.00 C ATOM 361 CD PRO A 149 50.620 -4.154 6.342 1.00 0.00 C ATOM 0 HA PRO A 149 52.231 -3.494 9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 149 53.165 -2.145 6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 149 53.555 -3.838 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 149 51.693 -2.592 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 149 52.472 -4.160 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 149 49.743 -3.579 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 149 50.506 -5.152 5.919 1.00 0.00 H new ATOM 369 N LYS A 150 51.804 -1.116 9.473 1.00 0.00 N ATOM 370 CA LYS A 150 51.435 0.276 9.766 1.00 0.00 C ATOM 371 C LYS A 150 51.555 1.157 8.511 1.00 0.00 C ATOM 372 O LYS A 150 50.955 2.229 8.442 1.00 0.00 O ATOM 373 CB LYS A 150 52.335 0.854 10.867 1.00 0.00 C ATOM 374 CG LYS A 150 52.379 -0.092 12.070 1.00 0.00 C ATOM 375 CD LYS A 150 53.068 0.606 13.244 1.00 0.00 C ATOM 376 CE LYS A 150 53.229 -0.379 14.403 1.00 0.00 C ATOM 377 NZ LYS A 150 51.916 -0.565 15.083 1.00 0.00 N ATOM 0 H LYS A 150 52.571 -1.477 10.040 1.00 0.00 H new ATOM 0 HA LYS A 150 50.399 0.274 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 150 53.342 1.007 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 150 51.961 1.830 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 150 51.368 -0.387 12.351 1.00 0.00 H new ATOM 0 HG3 LYS A 150 52.916 -1.004 11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 150 54.043 0.982 12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 150 52.481 1.467 13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 150 53.598 -1.336 14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 150 53.968 -0.005 15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 52.042 -1.167 15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 51.542 0.361 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 51.247 -1.018 14.428 1.00 0.00 H new ATOM 391 N THR A 151 52.306 0.684 7.510 1.00 0.00 N ATOM 392 CA THR A 151 52.509 1.434 6.265 1.00 0.00 C ATOM 393 C THR A 151 51.163 1.771 5.590 1.00 0.00 C ATOM 394 O THR A 151 51.044 2.752 4.840 1.00 0.00 O ATOM 395 CB THR A 151 53.376 0.594 5.313 1.00 0.00 C ATOM 396 OG1 THR A 151 52.687 -0.602 4.983 1.00 0.00 O ATOM 397 CG2 THR A 151 54.706 0.246 5.990 1.00 0.00 C ATOM 0 H THR A 151 52.784 -0.217 7.538 1.00 0.00 H new ATOM 0 HA THR A 151 53.009 2.374 6.498 1.00 0.00 H new ATOM 0 HB THR A 151 53.575 1.166 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 151 53.293 -1.208 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 151 55.316 -0.349 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 151 55.236 1.164 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 151 54.513 -0.325 6.899 1.00 0.00 H new ATOM 405 N SER A 152 50.120 1.019 5.945 1.00 0.00 N ATOM 406 CA SER A 152 48.798 1.219 5.354 1.00 0.00 C ATOM 407 C SER A 152 48.227 2.608 5.654 1.00 0.00 C ATOM 408 O SER A 152 47.300 3.058 4.972 1.00 0.00 O ATOM 409 CB SER A 152 47.848 0.160 5.900 1.00 0.00 C ATOM 410 OG SER A 152 48.077 -0.003 7.292 1.00 0.00 O ATOM 0 H SER A 152 50.165 0.270 6.636 1.00 0.00 H new ATOM 0 HA SER A 152 48.902 1.134 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 152 46.814 0.456 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 152 48.003 -0.786 5.381 1.00 0.00 H new ATOM 0 HG SER A 152 48.671 -0.768 7.438 1.00 0.00 H new ATOM 416 N GLU A 153 48.813 3.318 6.623 1.00 0.00 N ATOM 417 CA GLU A 153 48.380 4.680 6.921 1.00 0.00 C ATOM 418 C GLU A 153 48.469 5.549 5.668 1.00 0.00 C ATOM 419 O GLU A 153 47.457 6.086 5.202 1.00 0.00 O ATOM 420 CB GLU A 153 49.255 5.274 8.027 1.00 0.00 C ATOM 421 CG GLU A 153 48.799 4.734 9.386 1.00 0.00 C ATOM 422 CD GLU A 153 49.899 4.922 10.430 1.00 0.00 C ATOM 423 OE1 GLU A 153 50.566 5.945 10.392 1.00 0.00 O ATOM 424 OE2 GLU A 153 50.059 4.038 11.255 1.00 0.00 O ATOM 0 H GLU A 153 49.577 2.976 7.205 1.00 0.00 H new ATOM 0 HA GLU A 153 47.344 4.653 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 153 50.301 5.018 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 153 49.186 6.362 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 153 47.894 5.251 9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 153 48.548 3.677 9.299 1.00 0.00 H new ATOM 431 N MET A 154 49.632 5.519 5.013 1.00 0.00 N ATOM 432 CA MET A 154 49.868 6.413 3.886 1.00 0.00 C ATOM 433 C MET A 154 48.937 6.085 2.734 1.00 0.00 C ATOM 434 O MET A 154 48.633 6.956 1.916 1.00 0.00 O ATOM 435 CB MET A 154 51.301 6.316 3.377 1.00 0.00 C ATOM 436 CG MET A 154 52.270 6.758 4.468 1.00 0.00 C ATOM 437 SD MET A 154 53.935 6.920 3.770 1.00 0.00 S ATOM 438 CE MET A 154 54.113 5.218 3.177 1.00 0.00 C ATOM 0 H MET A 154 50.408 4.898 5.240 1.00 0.00 H new ATOM 0 HA MET A 154 49.681 7.424 4.249 1.00 0.00 H new ATOM 0 HB2 MET A 154 51.521 5.292 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 154 51.425 6.941 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 154 51.948 7.709 4.892 1.00 0.00 H new ATOM 0 HG3 MET A 154 52.274 6.032 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 154 55.171 4.968 3.102 1.00 0.00 H new ATOM 0 HE2 MET A 154 53.628 4.537 3.876 1.00 0.00 H new ATOM 0 HE3 MET A 154 53.648 5.124 2.196 1.00 0.00 H new ATOM 448 N MET A 155 48.539 4.813 2.608 1.00 0.00 N ATOM 449 CA MET A 155 47.713 4.403 1.475 1.00 0.00 C ATOM 450 C MET A 155 46.314 5.018 1.553 1.00 0.00 C ATOM 451 O MET A 155 45.772 5.467 0.542 1.00 0.00 O ATOM 452 CB MET A 155 47.587 2.872 1.443 1.00 0.00 C ATOM 453 CG MET A 155 48.980 2.222 1.415 1.00 0.00 C ATOM 454 SD MET A 155 49.832 2.637 -0.131 1.00 0.00 S ATOM 455 CE MET A 155 51.516 2.302 0.441 1.00 0.00 C ATOM 0 H MET A 155 48.771 4.067 3.263 1.00 0.00 H new ATOM 0 HA MET A 155 48.199 4.757 0.566 1.00 0.00 H new ATOM 0 HB2 MET A 155 47.035 2.527 2.318 1.00 0.00 H new ATOM 0 HB3 MET A 155 47.018 2.566 0.566 1.00 0.00 H new ATOM 0 HG2 MET A 155 49.567 2.566 2.266 1.00 0.00 H new ATOM 0 HG3 MET A 155 48.887 1.140 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 155 52.220 2.496 -0.368 1.00 0.00 H new ATOM 0 HE2 MET A 155 51.748 2.949 1.287 1.00 0.00 H new ATOM 0 HE3 MET A 155 51.595 1.259 0.749 1.00 0.00 H new ATOM 465 N LYS A 156 45.735 5.036 2.757 1.00 0.00 N ATOM 466 CA LYS A 156 44.310 5.329 2.901 1.00 0.00 C ATOM 467 C LYS A 156 44.027 6.832 3.000 1.00 0.00 C ATOM 468 O LYS A 156 42.889 7.261 2.800 1.00 0.00 O ATOM 469 CB LYS A 156 43.786 4.641 4.161 1.00 0.00 C ATOM 470 CG LYS A 156 43.732 3.129 3.933 1.00 0.00 C ATOM 471 CD LYS A 156 43.218 2.440 5.199 1.00 0.00 C ATOM 472 CE LYS A 156 41.701 2.614 5.297 1.00 0.00 C ATOM 473 NZ LYS A 156 41.259 2.342 6.694 1.00 0.00 N ATOM 0 H LYS A 156 46.224 4.854 3.633 1.00 0.00 H new ATOM 0 HA LYS A 156 43.806 4.957 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 156 44.433 4.869 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 156 42.793 5.018 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 156 43.079 2.901 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 156 44.723 2.753 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 156 43.472 1.380 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 156 43.701 2.866 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 156 41.421 3.626 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 156 41.201 1.934 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 40.228 2.460 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 41.514 1.368 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 41.727 3.008 7.342 1.00 0.00 H new ATOM 487 N ASP A 157 45.057 7.626 3.309 1.00 0.00 N ATOM 488 CA ASP A 157 44.876 9.080 3.401 1.00 0.00 C ATOM 489 C ASP A 157 45.729 9.832 2.364 1.00 0.00 C ATOM 490 O ASP A 157 45.210 10.250 1.328 1.00 0.00 O ATOM 491 CB ASP A 157 45.193 9.558 4.828 1.00 0.00 C ATOM 492 CG ASP A 157 43.906 9.731 5.632 1.00 0.00 C ATOM 493 OD1 ASP A 157 43.271 10.761 5.482 1.00 0.00 O ATOM 494 OD2 ASP A 157 43.577 8.829 6.385 1.00 0.00 O ATOM 0 H ASP A 157 46.004 7.298 3.496 1.00 0.00 H new ATOM 0 HA ASP A 157 43.834 9.305 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 157 45.844 8.837 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 157 45.735 10.503 4.789 1.00 0.00 H new ATOM 499 N PRO A 158 47.008 10.005 2.605 1.00 0.00 N ATOM 500 CA PRO A 158 47.810 11.066 1.913 1.00 0.00 C ATOM 501 C PRO A 158 47.943 10.861 0.402 1.00 0.00 C ATOM 502 O PRO A 158 47.949 9.736 -0.095 1.00 0.00 O ATOM 503 CB PRO A 158 49.184 10.998 2.589 1.00 0.00 C ATOM 504 CG PRO A 158 49.271 9.623 3.146 1.00 0.00 C ATOM 505 CD PRO A 158 47.849 9.250 3.552 1.00 0.00 C ATOM 0 HA PRO A 158 47.320 12.035 2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 158 49.985 11.186 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 158 49.275 11.748 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 158 49.662 8.925 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 158 49.944 9.590 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 158 47.678 8.176 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 158 47.640 9.530 4.585 1.00 0.00 H new ATOM 513 N GLN A 159 48.199 11.969 -0.298 1.00 0.00 N ATOM 514 CA GLN A 159 48.486 11.940 -1.738 1.00 0.00 C ATOM 515 C GLN A 159 49.730 11.093 -2.052 1.00 0.00 C ATOM 516 O GLN A 159 49.924 10.661 -3.194 1.00 0.00 O ATOM 517 CB GLN A 159 48.695 13.362 -2.260 1.00 0.00 C ATOM 518 CG GLN A 159 47.338 14.034 -2.487 1.00 0.00 C ATOM 519 CD GLN A 159 46.628 13.396 -3.677 1.00 0.00 C ATOM 520 OE1 GLN A 159 47.228 13.220 -4.737 1.00 0.00 O ATOM 521 NE2 GLN A 159 45.378 13.038 -3.563 1.00 0.00 N ATOM 0 H GLN A 159 48.214 12.904 0.110 1.00 0.00 H new ATOM 0 HA GLN A 159 47.629 11.485 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 159 49.282 13.939 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 159 49.260 13.338 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 159 46.722 13.938 -1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 159 47.477 15.100 -2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 159 44.884 13.185 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 159 44.896 12.611 -4.354 1.00 0.00 H new ATOM 530 N LEU A 160 50.545 10.820 -1.027 1.00 0.00 N ATOM 531 CA LEU A 160 51.853 10.203 -1.239 1.00 0.00 C ATOM 532 C LEU A 160 51.717 8.880 -2.003 1.00 0.00 C ATOM 533 O LEU A 160 52.658 8.445 -2.662 1.00 0.00 O ATOM 534 CB LEU A 160 52.531 9.943 0.110 1.00 0.00 C ATOM 535 CG LEU A 160 54.012 9.621 -0.110 1.00 0.00 C ATOM 536 CD1 LEU A 160 54.751 10.881 -0.567 1.00 0.00 C ATOM 537 CD2 LEU A 160 54.623 9.121 1.201 1.00 0.00 C ATOM 0 H LEU A 160 50.322 11.016 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 160 52.460 10.888 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 160 52.431 10.818 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 160 52.041 9.114 0.621 1.00 0.00 H new ATOM 0 HG LEU A 160 54.105 8.850 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 160 55.805 10.649 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 160 54.317 11.239 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 160 54.659 11.654 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 160 55.677 8.891 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 160 54.528 9.893 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 160 54.100 8.222 1.527 1.00 0.00 H new ATOM 549 N VAL A 161 50.533 8.251 -1.927 1.00 0.00 N ATOM 550 CA VAL A 161 50.281 6.996 -2.642 1.00 0.00 C ATOM 551 C VAL A 161 50.523 7.172 -4.140 1.00 0.00 C ATOM 552 O VAL A 161 51.372 6.501 -4.722 1.00 0.00 O ATOM 553 CB VAL A 161 48.828 6.536 -2.432 1.00 0.00 C ATOM 554 CG1 VAL A 161 48.675 5.090 -2.912 1.00 0.00 C ATOM 555 CG2 VAL A 161 48.446 6.614 -0.949 1.00 0.00 C ATOM 0 H VAL A 161 49.742 8.591 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 161 50.966 6.247 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 161 48.171 7.192 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 161 47.646 4.764 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 161 48.925 5.030 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 161 49.345 4.445 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 161 47.415 6.285 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 161 49.107 5.970 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 161 48.544 7.642 -0.602 1.00 0.00 H new ATOM 565 N ALA A 162 49.830 8.142 -4.741 1.00 0.00 N ATOM 566 CA ALA A 162 49.904 8.344 -6.189 1.00 0.00 C ATOM 567 C ALA A 162 51.345 8.633 -6.596 1.00 0.00 C ATOM 568 O ALA A 162 51.927 7.933 -7.429 1.00 0.00 O ATOM 569 CB ALA A 162 49.021 9.528 -6.592 1.00 0.00 C ATOM 0 H ALA A 162 49.217 8.794 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 162 49.556 7.441 -6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 162 49.079 9.675 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 162 47.988 9.325 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 162 49.366 10.429 -6.084 1.00 0.00 H new ATOM 575 N LYS A 163 51.961 9.558 -5.857 1.00 0.00 N ATOM 576 CA LYS A 163 53.338 9.967 -6.140 1.00 0.00 C ATOM 577 C LYS A 163 54.264 8.748 -6.158 1.00 0.00 C ATOM 578 O LYS A 163 54.886 8.447 -7.178 1.00 0.00 O ATOM 579 CB LYS A 163 53.818 10.959 -5.077 1.00 0.00 C ATOM 580 CG LYS A 163 52.939 12.213 -5.103 1.00 0.00 C ATOM 581 CD LYS A 163 53.211 13.006 -6.384 1.00 0.00 C ATOM 582 CE LYS A 163 52.470 14.343 -6.324 1.00 0.00 C ATOM 583 NZ LYS A 163 51.030 14.128 -6.643 1.00 0.00 N ATOM 0 H LYS A 163 51.532 10.035 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 163 53.363 10.445 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 163 53.779 10.497 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 163 54.858 11.229 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 163 51.887 11.933 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 163 53.145 12.832 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 163 54.282 13.176 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 163 52.884 12.436 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 163 52.572 14.783 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 163 52.909 15.046 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 50.526 15.037 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 50.942 13.726 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 50.616 13.471 -5.951 1.00 0.00 H new ATOM 597 N LEU A 164 54.188 7.945 -5.096 1.00 0.00 N ATOM 598 CA LEU A 164 55.042 6.768 -4.958 1.00 0.00 C ATOM 599 C LEU A 164 54.818 5.772 -6.094 1.00 0.00 C ATOM 600 O LEU A 164 55.764 5.170 -6.583 1.00 0.00 O ATOM 601 CB LEU A 164 54.755 6.079 -3.622 1.00 0.00 C ATOM 602 CG LEU A 164 55.261 6.951 -2.470 1.00 0.00 C ATOM 603 CD1 LEU A 164 54.753 6.383 -1.143 1.00 0.00 C ATOM 604 CD2 LEU A 164 56.792 6.956 -2.463 1.00 0.00 C ATOM 0 H LEU A 164 53.543 8.090 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 164 56.079 7.103 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 164 53.684 5.904 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 164 55.242 5.104 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 164 54.894 7.969 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 164 55.112 7.002 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 164 53.663 6.377 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 164 55.122 5.365 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 164 57.150 7.577 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 164 57.159 5.938 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 164 57.159 7.357 -3.408 1.00 0.00 H new ATOM 616 N ILE A 165 53.568 5.639 -6.541 1.00 0.00 N ATOM 617 CA ILE A 165 53.220 4.603 -7.516 1.00 0.00 C ATOM 618 C ILE A 165 53.987 4.820 -8.823 1.00 0.00 C ATOM 619 O ILE A 165 54.516 3.868 -9.404 1.00 0.00 O ATOM 620 CB ILE A 165 51.695 4.583 -7.738 1.00 0.00 C ATOM 621 CG1 ILE A 165 51.047 3.976 -6.485 1.00 0.00 C ATOM 622 CG2 ILE A 165 51.333 3.718 -8.959 1.00 0.00 C ATOM 623 CD1 ILE A 165 49.527 4.149 -6.522 1.00 0.00 C ATOM 0 H ILE A 165 52.788 6.228 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 165 53.513 3.627 -7.128 1.00 0.00 H new ATOM 0 HB ILE A 165 51.338 5.597 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 165 51.296 2.917 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 165 51.451 4.455 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 165 50.252 3.718 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 165 51.813 4.126 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 165 51.678 2.697 -8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 165 49.089 3.712 -5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 165 49.283 5.210 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 165 49.125 3.648 -7.403 1.00 0.00 H new ATOM 635 N GLY A 166 54.144 6.081 -9.224 1.00 0.00 N ATOM 636 CA GLY A 166 54.960 6.386 -10.394 1.00 0.00 C ATOM 637 C GLY A 166 56.427 6.151 -10.057 1.00 0.00 C ATOM 638 O GLY A 166 57.146 5.442 -10.767 1.00 0.00 O ATOM 0 H GLY A 166 53.726 6.891 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 166 54.662 5.758 -11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 166 54.806 7.421 -10.700 1.00 0.00 H new ATOM 642 N TYR A 167 56.844 6.741 -8.938 1.00 0.00 N ATOM 643 CA TYR A 167 58.195 6.558 -8.411 1.00 0.00 C ATOM 644 C TYR A 167 58.491 5.091 -8.068 1.00 0.00 C ATOM 645 O TYR A 167 59.647 4.720 -7.888 1.00 0.00 O ATOM 646 CB TYR A 167 58.353 7.459 -7.177 1.00 0.00 C ATOM 647 CG TYR A 167 59.731 7.518 -6.573 1.00 0.00 C ATOM 648 CD1 TYR A 167 60.781 8.161 -7.272 1.00 0.00 C ATOM 649 CD2 TYR A 167 59.956 6.995 -5.278 1.00 0.00 C ATOM 650 CE1 TYR A 167 62.062 8.267 -6.682 1.00 0.00 C ATOM 651 CE2 TYR A 167 61.237 7.099 -4.686 1.00 0.00 C ATOM 652 CZ TYR A 167 62.293 7.734 -5.391 1.00 0.00 C ATOM 653 OH TYR A 167 63.547 7.835 -4.821 1.00 0.00 O ATOM 0 H TYR A 167 56.258 7.356 -8.374 1.00 0.00 H new ATOM 0 HA TYR A 167 58.918 6.838 -9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 167 58.054 8.471 -7.450 1.00 0.00 H new ATOM 0 HB3 TYR A 167 57.657 7.117 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 167 60.604 8.570 -8.256 1.00 0.00 H new ATOM 0 HD2 TYR A 167 59.150 6.516 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 167 62.864 8.755 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 167 61.411 6.696 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 167 63.774 8.780 -4.695 1.00 0.00 H new ATOM 663 N LYS A 168 57.443 4.281 -7.931 1.00 0.00 N ATOM 664 CA LYS A 168 57.609 2.846 -7.690 1.00 0.00 C ATOM 665 C LYS A 168 58.023 2.103 -8.964 1.00 0.00 C ATOM 666 O LYS A 168 58.962 1.305 -8.949 1.00 0.00 O ATOM 667 CB LYS A 168 56.294 2.263 -7.159 1.00 0.00 C ATOM 668 CG LYS A 168 56.232 2.426 -5.630 1.00 0.00 C ATOM 669 CD LYS A 168 54.825 2.088 -5.096 1.00 0.00 C ATOM 670 CE LYS A 168 54.349 0.721 -5.605 1.00 0.00 C ATOM 671 NZ LYS A 168 53.304 0.914 -6.649 1.00 0.00 N ATOM 0 H LYS A 168 56.473 4.591 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 168 58.402 2.716 -6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 168 55.447 2.769 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 168 56.219 1.209 -7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 168 56.969 1.775 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 168 56.492 3.449 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 168 54.838 2.088 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 168 54.121 2.860 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 168 55.189 0.162 -6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 168 53.948 0.133 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 53.104 0.005 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 52.435 1.277 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 53.643 1.596 -7.357 1.00 0.00 H new ATOM 685 N GLN A 169 57.318 2.376 -10.061 1.00 0.00 N ATOM 686 CA GLN A 169 57.428 1.538 -11.258 1.00 0.00 C ATOM 687 C GLN A 169 58.752 1.753 -12.007 1.00 0.00 C ATOM 688 O GLN A 169 59.447 0.790 -12.335 1.00 0.00 O ATOM 689 CB GLN A 169 56.263 1.836 -12.203 1.00 0.00 C ATOM 690 CG GLN A 169 54.952 1.388 -11.555 1.00 0.00 C ATOM 691 CD GLN A 169 53.792 1.601 -12.522 1.00 0.00 C ATOM 692 OE1 GLN A 169 53.596 0.807 -13.442 1.00 0.00 O ATOM 693 NE2 GLN A 169 53.008 2.633 -12.368 1.00 0.00 N ATOM 0 H GLN A 169 56.672 3.160 -10.148 1.00 0.00 H new ATOM 0 HA GLN A 169 57.399 0.500 -10.928 1.00 0.00 H new ATOM 0 HB2 GLN A 169 56.225 2.902 -12.425 1.00 0.00 H new ATOM 0 HB3 GLN A 169 56.408 1.318 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 169 55.015 0.336 -11.276 1.00 0.00 H new ATOM 0 HG3 GLN A 169 54.779 1.951 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 169 53.173 3.289 -11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 169 52.230 2.783 -13.011 1.00 0.00 H new ATOM 702 N ASN A 170 59.095 3.017 -12.267 1.00 0.00 N ATOM 703 CA ASN A 170 60.181 3.325 -13.217 1.00 0.00 C ATOM 704 C ASN A 170 61.540 3.632 -12.548 1.00 0.00 C ATOM 705 O ASN A 170 62.577 3.197 -13.051 1.00 0.00 O ATOM 706 CB ASN A 170 59.774 4.523 -14.076 1.00 0.00 C ATOM 707 CG ASN A 170 60.626 4.573 -15.340 1.00 0.00 C ATOM 708 OD1 ASN A 170 60.519 3.695 -16.196 1.00 0.00 O ATOM 709 ND2 ASN A 170 61.470 5.554 -15.508 1.00 0.00 N ATOM 0 H ASN A 170 58.651 3.833 -11.846 1.00 0.00 H new ATOM 0 HA ASN A 170 60.324 2.426 -13.816 1.00 0.00 H new ATOM 0 HB2 ASN A 170 58.719 4.449 -14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 170 59.896 5.446 -13.509 1.00 0.00 H new ATOM 0 HD21 ASN A 170 62.043 5.595 -16.351 1.00 0.00 H new ATOM 0 HD22 ASN A 170 61.556 6.280 -14.797 1.00 0.00 H new ATOM 716 N PRO A 171 61.568 4.343 -11.440 1.00 0.00 N ATOM 717 CA PRO A 171 62.827 4.966 -10.936 1.00 0.00 C ATOM 718 C PRO A 171 63.491 4.203 -9.791 1.00 0.00 C ATOM 719 O PRO A 171 63.144 4.381 -8.625 1.00 0.00 O ATOM 720 CB PRO A 171 62.397 6.356 -10.495 1.00 0.00 C ATOM 721 CG PRO A 171 60.977 6.216 -10.083 1.00 0.00 C ATOM 722 CD PRO A 171 60.417 4.947 -10.746 1.00 0.00 C ATOM 0 HA PRO A 171 63.592 4.969 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 171 63.012 6.714 -9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 171 62.502 7.076 -11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 171 60.899 6.146 -8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 171 60.403 7.091 -10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 171 60.000 4.265 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 171 59.616 5.187 -11.445 1.00 0.00 H new ATOM 730 N GLN A 172 64.487 3.379 -10.131 1.00 0.00 N ATOM 731 CA GLN A 172 65.299 2.666 -9.120 1.00 0.00 C ATOM 732 C GLN A 172 65.780 3.585 -7.968 1.00 0.00 C ATOM 733 O GLN A 172 66.189 3.099 -6.910 1.00 0.00 O ATOM 734 CB GLN A 172 66.519 2.027 -9.791 1.00 0.00 C ATOM 735 CG GLN A 172 66.058 1.012 -10.841 1.00 0.00 C ATOM 736 CD GLN A 172 65.440 -0.205 -10.158 1.00 0.00 C ATOM 737 OE1 GLN A 172 65.953 -0.676 -9.144 1.00 0.00 O ATOM 738 NE2 GLN A 172 64.362 -0.744 -10.659 1.00 0.00 N ATOM 0 H GLN A 172 64.756 3.184 -11.095 1.00 0.00 H new ATOM 0 HA GLN A 172 64.653 1.905 -8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 172 67.133 2.796 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 172 67.141 1.534 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 172 65.330 1.473 -11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 172 66.904 0.703 -11.456 1.00 0.00 H new ATOM 0 HE21 GLN A 172 63.939 -0.351 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 172 63.943 -1.558 -10.210 1.00 0.00 H new ATOM 747 N ALA A 173 65.656 4.906 -8.147 1.00 0.00 N ATOM 748 CA ALA A 173 66.162 5.874 -7.176 1.00 0.00 C ATOM 749 C ALA A 173 65.519 5.704 -5.785 1.00 0.00 C ATOM 750 O ALA A 173 65.990 6.301 -4.817 1.00 0.00 O ATOM 751 CB ALA A 173 65.860 7.284 -7.681 1.00 0.00 C ATOM 0 H ALA A 173 65.207 5.327 -8.960 1.00 0.00 H new ATOM 0 HA ALA A 173 67.234 5.706 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 173 66.233 8.015 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 173 66.348 7.438 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 173 64.783 7.406 -7.796 1.00 0.00 H new ATOM 757 N ILE A 174 64.480 4.857 -5.668 1.00 0.00 N ATOM 758 CA ILE A 174 63.721 4.755 -4.414 1.00 0.00 C ATOM 759 C ILE A 174 64.636 4.361 -3.250 1.00 0.00 C ATOM 760 O ILE A 174 64.382 4.728 -2.103 1.00 0.00 O ATOM 761 CB ILE A 174 62.598 3.714 -4.540 1.00 0.00 C ATOM 762 CG1 ILE A 174 61.759 4.012 -5.804 1.00 0.00 C ATOM 763 CG2 ILE A 174 61.716 3.773 -3.281 1.00 0.00 C ATOM 764 CD1 ILE A 174 60.516 3.122 -5.872 1.00 0.00 C ATOM 0 H ILE A 174 64.153 4.244 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 174 63.287 5.735 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 174 63.022 2.714 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 174 61.459 5.060 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 174 62.370 3.855 -6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 174 60.916 3.037 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 174 62.322 3.555 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 174 61.284 4.769 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 174 59.949 3.357 -6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 174 60.819 2.075 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 174 59.894 3.299 -4.995 1.00 0.00 H new ATOM 776 N GLY A 175 65.710 3.624 -3.559 1.00 0.00 N ATOM 777 CA GLY A 175 66.608 3.109 -2.523 1.00 0.00 C ATOM 778 C GLY A 175 67.151 4.237 -1.637 1.00 0.00 C ATOM 779 O GLY A 175 67.459 4.020 -0.464 1.00 0.00 O ATOM 0 H GLY A 175 65.975 3.373 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 175 66.076 2.385 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 175 67.439 2.580 -2.990 1.00 0.00 H new ATOM 783 N GLN A 176 67.263 5.437 -2.210 1.00 0.00 N ATOM 784 CA GLN A 176 67.786 6.586 -1.478 1.00 0.00 C ATOM 785 C GLN A 176 66.680 7.313 -0.717 1.00 0.00 C ATOM 786 O GLN A 176 66.924 7.892 0.343 1.00 0.00 O ATOM 787 CB GLN A 176 68.453 7.559 -2.452 1.00 0.00 C ATOM 788 CG GLN A 176 69.638 6.871 -3.131 1.00 0.00 C ATOM 789 CD GLN A 176 70.380 7.864 -4.019 1.00 0.00 C ATOM 790 OE1 GLN A 176 71.155 8.682 -3.523 1.00 0.00 O ATOM 791 NE2 GLN A 176 70.188 7.842 -5.309 1.00 0.00 N ATOM 0 H GLN A 176 66.999 5.635 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 176 68.516 6.219 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 176 67.734 7.890 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 176 68.791 8.448 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 176 70.315 6.468 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 176 69.287 6.029 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 176 69.545 7.163 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 176 70.680 8.503 -5.909 1.00 0.00 H new ATOM 800 N ASP A 177 65.464 7.276 -1.264 1.00 0.00 N ATOM 801 CA ASP A 177 64.365 8.040 -0.691 1.00 0.00 C ATOM 802 C ASP A 177 63.838 7.384 0.581 1.00 0.00 C ATOM 803 O ASP A 177 63.167 8.043 1.374 1.00 0.00 O ATOM 804 CB ASP A 177 63.224 8.227 -1.704 1.00 0.00 C ATOM 805 CG ASP A 177 63.419 9.513 -2.522 1.00 0.00 C ATOM 806 OD1 ASP A 177 64.290 10.300 -2.180 1.00 0.00 O ATOM 807 OD2 ASP A 177 62.669 9.708 -3.463 1.00 0.00 O ATOM 0 H ASP A 177 65.221 6.732 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 177 64.758 9.023 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 177 63.183 7.368 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 177 62.270 8.267 -1.179 1.00 0.00 H new ATOM 812 N LEU A 178 64.113 6.086 0.779 1.00 0.00 N ATOM 813 CA LEU A 178 63.733 5.429 2.036 1.00 0.00 C ATOM 814 C LEU A 178 64.336 6.198 3.223 1.00 0.00 C ATOM 815 O LEU A 178 63.667 6.463 4.221 1.00 0.00 O ATOM 816 CB LEU A 178 64.239 3.974 2.091 1.00 0.00 C ATOM 817 CG LEU A 178 63.942 3.184 0.804 1.00 0.00 C ATOM 818 CD1 LEU A 178 64.698 1.858 0.873 1.00 0.00 C ATOM 819 CD2 LEU A 178 62.445 2.878 0.693 1.00 0.00 C ATOM 0 H LEU A 178 64.585 5.485 0.104 1.00 0.00 H new ATOM 0 HA LEU A 178 62.644 5.425 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 178 65.314 3.976 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 178 63.776 3.466 2.937 1.00 0.00 H new ATOM 0 HG LEU A 178 64.251 3.775 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 178 64.502 1.280 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 178 65.767 2.053 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 178 64.364 1.294 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 178 62.255 2.319 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 178 62.130 2.285 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 178 61.883 3.812 0.671 1.00 0.00 H new ATOM 831 N PHE A 179 65.619 6.543 3.084 1.00 0.00 N ATOM 832 CA PHE A 179 66.325 7.360 4.076 1.00 0.00 C ATOM 833 C PHE A 179 65.552 8.645 4.406 1.00 0.00 C ATOM 834 O PHE A 179 65.579 9.120 5.543 1.00 0.00 O ATOM 835 CB PHE A 179 67.710 7.722 3.543 1.00 0.00 C ATOM 836 CG PHE A 179 68.683 6.567 3.560 1.00 0.00 C ATOM 837 CD1 PHE A 179 69.422 6.281 4.734 1.00 0.00 C ATOM 838 CD2 PHE A 179 68.857 5.770 2.402 1.00 0.00 C ATOM 839 CE1 PHE A 179 70.334 5.198 4.750 1.00 0.00 C ATOM 840 CE2 PHE A 179 69.770 4.687 2.418 1.00 0.00 C ATOM 841 CZ PHE A 179 70.508 4.401 3.593 1.00 0.00 C ATOM 0 H PHE A 179 66.194 6.267 2.288 1.00 0.00 H new ATOM 0 HA PHE A 179 66.413 6.776 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 179 67.613 8.090 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 179 68.118 8.539 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 179 69.290 6.889 5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 179 68.294 5.988 1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 179 70.897 4.980 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 179 69.903 4.080 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 179 71.203 3.575 3.606 1.00 0.00 H new ATOM 851 N THR A 180 64.868 9.195 3.405 1.00 0.00 N ATOM 852 CA THR A 180 64.079 10.419 3.596 1.00 0.00 C ATOM 853 C THR A 180 62.637 10.091 4.014 1.00 0.00 C ATOM 854 O THR A 180 61.976 10.895 4.671 1.00 0.00 O ATOM 855 CB THR A 180 64.060 11.246 2.304 1.00 0.00 C ATOM 856 OG1 THR A 180 63.291 10.570 1.320 1.00 0.00 O ATOM 857 CG2 THR A 180 65.489 11.444 1.789 1.00 0.00 C ATOM 0 H THR A 180 64.841 8.818 2.457 1.00 0.00 H new ATOM 0 HA THR A 180 64.549 10.996 4.392 1.00 0.00 H new ATOM 0 HB THR A 180 63.616 12.220 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 180 63.368 9.602 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 180 65.467 12.032 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 180 66.078 11.968 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 180 65.941 10.473 1.587 1.00 0.00 H new ATOM 865 N ASP A 181 62.166 8.904 3.626 1.00 0.00 N ATOM 866 CA ASP A 181 60.789 8.497 3.905 1.00 0.00 C ATOM 867 C ASP A 181 60.754 7.409 4.985 1.00 0.00 C ATOM 868 O ASP A 181 61.191 6.283 4.738 1.00 0.00 O ATOM 869 CB ASP A 181 60.130 7.973 2.627 1.00 0.00 C ATOM 870 CG ASP A 181 58.614 8.191 2.667 1.00 0.00 C ATOM 871 OD1 ASP A 181 58.101 8.550 3.717 1.00 0.00 O ATOM 872 OD2 ASP A 181 57.985 7.999 1.640 1.00 0.00 O ATOM 0 H ASP A 181 62.716 8.210 3.119 1.00 0.00 H new ATOM 0 HA ASP A 181 60.240 9.367 4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 181 60.552 8.481 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 181 60.346 6.911 2.510 1.00 0.00 H new ATOM 877 N PRO A 182 60.215 7.697 6.155 1.00 0.00 N ATOM 878 CA PRO A 182 60.240 6.720 7.288 1.00 0.00 C ATOM 879 C PRO A 182 59.418 5.464 6.993 1.00 0.00 C ATOM 880 O PRO A 182 59.925 4.346 7.103 1.00 0.00 O ATOM 881 CB PRO A 182 59.650 7.495 8.471 1.00 0.00 C ATOM 882 CG PRO A 182 58.838 8.587 7.865 1.00 0.00 C ATOM 883 CD PRO A 182 59.512 8.939 6.543 1.00 0.00 C ATOM 0 HA PRO A 182 61.250 6.357 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 182 59.034 6.848 9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 182 60.437 7.898 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 182 57.810 8.263 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 182 58.799 9.454 8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 182 58.782 9.236 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 182 60.207 9.771 6.659 1.00 0.00 H new ATOM 891 N ARG A 183 58.152 5.654 6.617 1.00 0.00 N ATOM 892 CA ARG A 183 57.231 4.525 6.465 1.00 0.00 C ATOM 893 C ARG A 183 57.654 3.592 5.331 1.00 0.00 C ATOM 894 O ARG A 183 57.541 2.376 5.468 1.00 0.00 O ATOM 895 CB ARG A 183 55.803 5.013 6.212 1.00 0.00 C ATOM 896 CG ARG A 183 55.356 5.917 7.364 1.00 0.00 C ATOM 897 CD ARG A 183 53.879 6.264 7.187 1.00 0.00 C ATOM 898 NE ARG A 183 53.275 6.638 8.466 1.00 0.00 N ATOM 899 CZ ARG A 183 53.512 7.816 9.059 1.00 0.00 C ATOM 900 NH1 ARG A 183 54.342 8.689 8.539 1.00 0.00 N ATOM 901 NH2 ARG A 183 52.900 8.100 10.175 1.00 0.00 N ATOM 0 H ARG A 183 57.744 6.567 6.414 1.00 0.00 H new ATOM 0 HA ARG A 183 57.263 3.967 7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 183 55.756 5.558 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 183 55.128 4.162 6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 183 55.512 5.414 8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 183 55.956 6.827 7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 183 53.776 7.085 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 183 53.348 5.410 6.765 1.00 0.00 H new ATOM 0 HE ARG A 183 52.649 5.976 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 183 54.823 8.477 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 183 54.506 9.579 9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 183 52.251 7.429 10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 183 53.071 8.993 10.637 1.00 0.00 H new ATOM 915 N LEU A 184 58.187 4.150 4.233 1.00 0.00 N ATOM 916 CA LEU A 184 58.596 3.324 3.080 1.00 0.00 C ATOM 917 C LEU A 184 59.509 2.178 3.534 1.00 0.00 C ATOM 918 O LEU A 184 59.442 1.067 3.005 1.00 0.00 O ATOM 919 CB LEU A 184 59.333 4.175 2.032 1.00 0.00 C ATOM 920 CG LEU A 184 58.328 4.808 1.058 1.00 0.00 C ATOM 921 CD1 LEU A 184 59.045 5.844 0.182 1.00 0.00 C ATOM 922 CD2 LEU A 184 57.721 3.723 0.156 1.00 0.00 C ATOM 0 H LEU A 184 58.344 5.151 4.117 1.00 0.00 H new ATOM 0 HA LEU A 184 57.693 2.910 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 184 59.910 4.955 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 184 60.041 3.555 1.483 1.00 0.00 H new ATOM 0 HG LEU A 184 57.536 5.292 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 184 58.331 6.293 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 184 59.475 6.620 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 184 59.839 5.356 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 184 57.009 4.178 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 184 58.514 3.236 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 184 57.208 2.983 0.771 1.00 0.00 H new ATOM 934 N MET A 185 60.319 2.445 4.555 1.00 0.00 N ATOM 935 CA MET A 185 61.194 1.417 5.104 1.00 0.00 C ATOM 936 C MET A 185 60.381 0.311 5.783 1.00 0.00 C ATOM 937 O MET A 185 60.607 -0.867 5.531 1.00 0.00 O ATOM 938 CB MET A 185 62.178 2.034 6.093 1.00 0.00 C ATOM 939 CG MET A 185 63.206 2.864 5.328 1.00 0.00 C ATOM 940 SD MET A 185 64.515 3.397 6.458 1.00 0.00 S ATOM 941 CE MET A 185 65.738 3.820 5.194 1.00 0.00 C ATOM 0 H MET A 185 60.387 3.354 5.013 1.00 0.00 H new ATOM 0 HA MET A 185 61.753 0.971 4.282 1.00 0.00 H new ATOM 0 HB2 MET A 185 61.647 2.661 6.809 1.00 0.00 H new ATOM 0 HB3 MET A 185 62.677 1.251 6.664 1.00 0.00 H new ATOM 0 HG2 MET A 185 63.631 2.276 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 185 62.725 3.732 4.877 1.00 0.00 H new ATOM 0 HE1 MET A 185 66.740 3.732 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 185 65.637 3.140 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 185 65.574 4.844 4.858 1.00 0.00 H new ATOM 951 N THR A 186 59.345 0.693 6.535 1.00 0.00 N ATOM 952 CA THR A 186 58.511 -0.288 7.246 1.00 0.00 C ATOM 953 C THR A 186 57.864 -1.261 6.251 1.00 0.00 C ATOM 954 O THR A 186 57.747 -2.459 6.518 1.00 0.00 O ATOM 955 CB THR A 186 57.424 0.443 8.048 1.00 0.00 C ATOM 956 OG1 THR A 186 58.032 1.431 8.868 1.00 0.00 O ATOM 957 CG2 THR A 186 56.657 -0.548 8.931 1.00 0.00 C ATOM 0 H THR A 186 59.063 1.664 6.669 1.00 0.00 H new ATOM 0 HA THR A 186 59.141 -0.858 7.929 1.00 0.00 H new ATOM 0 HB THR A 186 56.726 0.912 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 186 57.341 1.901 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 186 55.890 -0.016 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 186 56.187 -1.306 8.304 1.00 0.00 H new ATOM 0 HG23 THR A 186 57.348 -1.028 9.624 1.00 0.00 H new ATOM 965 N ILE A 187 57.481 -0.730 5.088 1.00 0.00 N ATOM 966 CA ILE A 187 56.992 -1.562 3.981 1.00 0.00 C ATOM 967 C ILE A 187 58.035 -2.629 3.626 1.00 0.00 C ATOM 968 O ILE A 187 57.717 -3.811 3.480 1.00 0.00 O ATOM 969 CB ILE A 187 56.727 -0.680 2.745 1.00 0.00 C ATOM 970 CG1 ILE A 187 55.660 0.375 3.072 1.00 0.00 C ATOM 971 CG2 ILE A 187 56.247 -1.552 1.582 1.00 0.00 C ATOM 972 CD1 ILE A 187 55.503 1.348 1.897 1.00 0.00 C ATOM 0 H ILE A 187 57.499 0.270 4.886 1.00 0.00 H new ATOM 0 HA ILE A 187 56.067 -2.049 4.289 1.00 0.00 H new ATOM 0 HB ILE A 187 57.652 -0.177 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 187 54.708 -0.112 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 187 55.942 0.922 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 187 56.061 -0.925 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 187 57.012 -2.291 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 187 55.326 -2.062 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 187 54.744 2.092 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 187 56.453 1.847 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 187 55.200 0.797 1.007 1.00 0.00 H new ATOM 984 N MET A 188 59.281 -2.188 3.527 1.00 0.00 N ATOM 985 CA MET A 188 60.384 -3.072 3.161 1.00 0.00 C ATOM 986 C MET A 188 60.508 -4.226 4.156 1.00 0.00 C ATOM 987 O MET A 188 60.721 -5.372 3.771 1.00 0.00 O ATOM 988 CB MET A 188 61.689 -2.282 3.142 1.00 0.00 C ATOM 989 CG MET A 188 61.551 -1.050 2.224 1.00 0.00 C ATOM 990 SD MET A 188 62.658 -1.189 0.799 1.00 0.00 S ATOM 991 CE MET A 188 61.494 -2.004 -0.323 1.00 0.00 C ATOM 0 H MET A 188 59.556 -1.220 3.695 1.00 0.00 H new ATOM 0 HA MET A 188 60.182 -3.482 2.171 1.00 0.00 H new ATOM 0 HB2 MET A 188 61.946 -1.965 4.153 1.00 0.00 H new ATOM 0 HB3 MET A 188 62.502 -2.917 2.791 1.00 0.00 H new ATOM 0 HG2 MET A 188 60.520 -0.958 1.883 1.00 0.00 H new ATOM 0 HG3 MET A 188 61.783 -0.144 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 188 61.582 -1.568 -1.318 1.00 0.00 H new ATOM 0 HE2 MET A 188 61.721 -3.069 -0.372 1.00 0.00 H new ATOM 0 HE3 MET A 188 60.477 -1.866 0.045 1.00 0.00 H new ATOM 1001 N ALA A 189 60.366 -3.900 5.437 1.00 0.00 N ATOM 1002 CA ALA A 189 60.435 -4.900 6.513 1.00 0.00 C ATOM 1003 C ALA A 189 59.448 -6.058 6.300 1.00 0.00 C ATOM 1004 O ALA A 189 59.854 -7.217 6.248 1.00 0.00 O ATOM 1005 CB ALA A 189 60.140 -4.229 7.857 1.00 0.00 C ATOM 0 H ALA A 189 60.201 -2.948 5.763 1.00 0.00 H new ATOM 0 HA ALA A 189 61.442 -5.316 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 189 60.191 -4.971 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 189 60.876 -3.446 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 189 59.142 -3.791 7.834 1.00 0.00 H new ATOM 1011 N THR A 190 58.159 -5.739 6.135 1.00 0.00 N ATOM 1012 CA THR A 190 57.133 -6.780 5.929 1.00 0.00 C ATOM 1013 C THR A 190 57.501 -7.689 4.748 1.00 0.00 C ATOM 1014 O THR A 190 57.438 -8.915 4.849 1.00 0.00 O ATOM 1015 CB THR A 190 55.765 -6.130 5.643 1.00 0.00 C ATOM 1016 OG1 THR A 190 55.958 -4.880 4.996 1.00 0.00 O ATOM 1017 CG2 THR A 190 54.984 -5.921 6.944 1.00 0.00 C ATOM 0 H THR A 190 57.800 -4.784 6.139 1.00 0.00 H new ATOM 0 HA THR A 190 57.080 -7.377 6.839 1.00 0.00 H new ATOM 0 HB THR A 190 55.192 -6.794 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 190 56.623 -4.980 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 190 54.021 -5.461 6.721 1.00 0.00 H new ATOM 0 HG22 THR A 190 54.822 -6.883 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 190 55.552 -5.270 7.609 1.00 0.00 H new ATOM 1025 N LEU A 191 57.884 -7.067 3.638 1.00 0.00 N ATOM 1026 CA LEU A 191 58.251 -7.808 2.425 1.00 0.00 C ATOM 1027 C LEU A 191 59.426 -8.759 2.681 1.00 0.00 C ATOM 1028 O LEU A 191 59.333 -9.961 2.430 1.00 0.00 O ATOM 1029 CB LEU A 191 58.640 -6.818 1.329 1.00 0.00 C ATOM 1030 CG LEU A 191 57.394 -6.079 0.831 1.00 0.00 C ATOM 1031 CD1 LEU A 191 57.787 -4.675 0.360 1.00 0.00 C ATOM 1032 CD2 LEU A 191 56.774 -6.856 -0.333 1.00 0.00 C ATOM 0 H LEU A 191 57.950 -6.053 3.548 1.00 0.00 H new ATOM 0 HA LEU A 191 57.391 -8.402 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 191 59.368 -6.104 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 191 59.116 -7.345 0.502 1.00 0.00 H new ATOM 0 HG LEU A 191 56.669 -5.999 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 191 56.901 -4.149 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 191 58.229 -4.123 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 191 58.511 -4.753 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 191 55.887 -6.332 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 191 57.498 -6.936 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 191 56.495 -7.854 0.004 1.00 0.00 H new ATOM 1044 N MET A 192 60.523 -8.202 3.181 1.00 0.00 N ATOM 1045 CA MET A 192 61.753 -8.963 3.395 1.00 0.00 C ATOM 1046 C MET A 192 61.643 -9.930 4.575 1.00 0.00 C ATOM 1047 O MET A 192 62.359 -10.931 4.630 1.00 0.00 O ATOM 1048 CB MET A 192 62.900 -7.998 3.647 1.00 0.00 C ATOM 1049 CG MET A 192 63.295 -7.332 2.327 1.00 0.00 C ATOM 1050 SD MET A 192 64.396 -8.429 1.397 1.00 0.00 S ATOM 1051 CE MET A 192 65.798 -8.363 2.539 1.00 0.00 C ATOM 0 H MET A 192 60.588 -7.220 3.448 1.00 0.00 H new ATOM 0 HA MET A 192 61.933 -9.556 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 192 62.603 -7.243 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 192 63.753 -8.530 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 192 62.404 -7.111 1.739 1.00 0.00 H new ATOM 0 HG3 MET A 192 63.792 -6.382 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 192 66.729 -8.403 1.974 1.00 0.00 H new ATOM 0 HE2 MET A 192 65.759 -7.435 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 192 65.751 -9.211 3.222 1.00 0.00 H new ATOM 1061 N GLY A 193 60.747 -9.629 5.511 1.00 0.00 N ATOM 1062 CA GLY A 193 60.703 -10.341 6.782 1.00 0.00 C ATOM 1063 C GLY A 193 59.884 -11.628 6.667 1.00 0.00 C ATOM 1064 O GLY A 193 59.811 -12.410 7.615 1.00 0.00 O ATOM 0 H GLY A 193 60.043 -8.898 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 193 61.717 -10.580 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 193 60.269 -9.698 7.547 1.00 0.00 H new