USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 331 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 181 GLN : amide:sc= 0.215 K(o=0.59,f=-2.2) USER MOD Set 1.2: A 185 LYS NZ :NH3+ -110:sc= 0.371 (180deg=-0.00877) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN :FLIP amide:sc= -0.0567 F(o=-1.3!,f=-0.057) USER MOD Single : A 169 LYS NZ :NH3+ 171:sc= 2.2 (180deg=1.88) USER MOD Single : A 173 GLN : amide:sc= -0.926 X(o=-0.93,f=-0.75) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ -148:sc= 0.758 (180deg=0.549) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0157) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 3.671 7.526 -6.281 1.00 0.00 N ATOM 2 CA GLY A 149 2.452 7.325 -5.509 1.00 0.00 C ATOM 3 C GLY A 149 1.331 6.891 -6.408 1.00 0.00 C ATOM 4 O GLY A 149 1.373 7.176 -7.604 1.00 0.00 O ATOM 0 HA2 GLY A 149 2.621 6.573 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.181 8.249 -4.998 1.00 0.00 H new ATOM 10 N PRO A 150 0.320 6.180 -5.883 1.00 0.00 N ATOM 11 CA PRO A 150 -0.822 5.747 -6.678 1.00 0.00 C ATOM 12 C PRO A 150 -1.741 6.921 -7.011 1.00 0.00 C ATOM 13 O PRO A 150 -2.256 7.622 -6.117 1.00 0.00 O ATOM 14 CB PRO A 150 -1.543 4.742 -5.764 1.00 0.00 C ATOM 15 CG PRO A 150 -1.159 5.136 -4.378 1.00 0.00 C ATOM 16 CD PRO A 150 0.212 5.747 -4.470 1.00 0.00 C ATOM 0 HA PRO A 150 -0.524 5.319 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -2.623 4.787 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -1.236 3.719 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -1.874 5.848 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -1.154 4.270 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 150 0.320 6.589 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 150 0.988 5.026 -4.214 1.00 0.00 H new ATOM 24 N GLY A 151 -1.883 7.167 -8.265 1.00 0.00 N ATOM 25 CA GLY A 151 -2.762 8.173 -8.738 1.00 0.00 C ATOM 26 C GLY A 151 -3.762 7.527 -9.622 1.00 0.00 C ATOM 27 O GLY A 151 -4.808 7.054 -9.153 1.00 0.00 O ATOM 0 H GLY A 151 -1.384 6.667 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -3.256 8.671 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -2.208 8.938 -9.283 1.00 0.00 H new ATOM 31 N SER A 152 -3.404 7.379 -10.873 1.00 0.00 N ATOM 32 CA SER A 152 -4.252 6.738 -11.835 1.00 0.00 C ATOM 33 C SER A 152 -4.378 5.237 -11.526 1.00 0.00 C ATOM 34 O SER A 152 -5.298 4.582 -11.978 1.00 0.00 O ATOM 35 CB SER A 152 -3.713 6.989 -13.235 1.00 0.00 C ATOM 36 OG SER A 152 -3.574 8.391 -13.447 1.00 0.00 O ATOM 0 H SER A 152 -2.513 7.702 -11.250 1.00 0.00 H new ATOM 0 HA SER A 152 -5.255 7.161 -11.779 1.00 0.00 H new ATOM 0 HB2 SER A 152 -2.750 6.495 -13.359 1.00 0.00 H new ATOM 0 HB3 SER A 152 -4.388 6.563 -13.978 1.00 0.00 H new ATOM 0 HG SER A 152 -3.225 8.553 -14.348 1.00 0.00 H new ATOM 42 N GLU A 153 -3.472 4.705 -10.711 1.00 0.00 N ATOM 43 CA GLU A 153 -3.562 3.314 -10.291 1.00 0.00 C ATOM 44 C GLU A 153 -4.791 3.118 -9.414 1.00 0.00 C ATOM 45 O GLU A 153 -5.351 2.044 -9.355 1.00 0.00 O ATOM 46 CB GLU A 153 -2.326 2.852 -9.498 1.00 0.00 C ATOM 47 CG GLU A 153 -0.995 3.117 -10.160 1.00 0.00 C ATOM 48 CD GLU A 153 -0.396 4.430 -9.787 1.00 0.00 C ATOM 49 OE1 GLU A 153 -0.977 5.476 -10.095 1.00 0.00 O ATOM 50 OE2 GLU A 153 0.676 4.436 -9.181 1.00 0.00 O ATOM 0 H GLU A 153 -2.673 5.213 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 153 -3.627 2.717 -11.201 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.334 3.345 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -2.414 1.781 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -0.300 2.321 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.122 3.079 -11.242 1.00 0.00 H new ATOM 57 N ASP A 154 -5.196 4.181 -8.766 1.00 0.00 N ATOM 58 CA ASP A 154 -6.297 4.146 -7.826 1.00 0.00 C ATOM 59 C ASP A 154 -7.621 4.538 -8.490 1.00 0.00 C ATOM 60 O ASP A 154 -8.671 3.947 -8.221 1.00 0.00 O ATOM 61 CB ASP A 154 -5.969 5.087 -6.666 1.00 0.00 C ATOM 62 CG ASP A 154 -7.047 5.182 -5.621 1.00 0.00 C ATOM 63 OD1 ASP A 154 -7.061 4.359 -4.688 1.00 0.00 O ATOM 64 OD2 ASP A 154 -7.853 6.140 -5.671 1.00 0.00 O ATOM 0 H ASP A 154 -4.771 5.102 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 154 -6.423 3.128 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.047 4.751 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -5.777 6.083 -7.065 1.00 0.00 H new ATOM 69 N ASP A 155 -7.574 5.530 -9.363 1.00 0.00 N ATOM 70 CA ASP A 155 -8.803 6.014 -10.017 1.00 0.00 C ATOM 71 C ASP A 155 -9.058 5.376 -11.381 1.00 0.00 C ATOM 72 O ASP A 155 -10.203 5.338 -11.853 1.00 0.00 O ATOM 73 CB ASP A 155 -8.841 7.555 -10.144 1.00 0.00 C ATOM 74 CG ASP A 155 -7.730 8.134 -10.999 1.00 0.00 C ATOM 75 OD1 ASP A 155 -7.837 8.119 -12.237 1.00 0.00 O ATOM 76 OD2 ASP A 155 -6.743 8.633 -10.439 1.00 0.00 O ATOM 0 H ASP A 155 -6.721 6.016 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 155 -9.607 5.701 -9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -9.801 7.850 -10.567 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -8.783 7.992 -9.147 1.00 0.00 H new ATOM 81 N ASP A 156 -8.029 4.891 -12.027 1.00 0.00 N ATOM 82 CA ASP A 156 -8.184 4.315 -13.370 1.00 0.00 C ATOM 83 C ASP A 156 -8.024 2.812 -13.339 1.00 0.00 C ATOM 84 O ASP A 156 -8.877 2.069 -13.842 1.00 0.00 O ATOM 85 CB ASP A 156 -7.206 4.963 -14.367 1.00 0.00 C ATOM 86 CG ASP A 156 -7.320 4.408 -15.771 1.00 0.00 C ATOM 87 OD1 ASP A 156 -8.372 4.597 -16.422 1.00 0.00 O ATOM 88 OD2 ASP A 156 -6.363 3.765 -16.247 1.00 0.00 O ATOM 0 H ASP A 156 -7.076 4.876 -11.663 1.00 0.00 H new ATOM 0 HA ASP A 156 -9.196 4.532 -13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -7.386 6.038 -14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -6.186 4.819 -14.009 1.00 0.00 H new ATOM 93 N ILE A 157 -6.977 2.373 -12.707 1.00 0.00 N ATOM 94 CA ILE A 157 -6.679 0.945 -12.563 1.00 0.00 C ATOM 95 C ILE A 157 -7.573 0.342 -11.466 1.00 0.00 C ATOM 96 O ILE A 157 -8.004 1.044 -10.546 1.00 0.00 O ATOM 97 CB ILE A 157 -5.161 0.719 -12.208 1.00 0.00 C ATOM 98 CG1 ILE A 157 -4.239 1.330 -13.277 1.00 0.00 C ATOM 99 CG2 ILE A 157 -4.821 -0.764 -12.001 1.00 0.00 C ATOM 100 CD1 ILE A 157 -4.387 0.719 -14.660 1.00 0.00 C ATOM 0 H ILE A 157 -6.289 2.985 -12.267 1.00 0.00 H new ATOM 0 HA ILE A 157 -6.881 0.449 -13.512 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.989 1.231 -11.261 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.439 2.400 -13.343 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.204 1.218 -12.953 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.763 -0.864 -11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.420 -1.164 -11.183 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -5.038 -1.318 -12.914 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.700 1.209 -15.350 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.157 -0.345 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.410 0.854 -15.010 1.00 0.00 H new ATOM 112 N ASP A 158 -7.916 -0.913 -11.606 1.00 0.00 N ATOM 113 CA ASP A 158 -8.697 -1.601 -10.600 1.00 0.00 C ATOM 114 C ASP A 158 -7.770 -2.259 -9.594 1.00 0.00 C ATOM 115 O ASP A 158 -6.943 -3.098 -9.949 1.00 0.00 O ATOM 116 CB ASP A 158 -9.609 -2.658 -11.227 1.00 0.00 C ATOM 117 CG ASP A 158 -10.453 -3.393 -10.197 1.00 0.00 C ATOM 118 OD1 ASP A 158 -9.931 -4.301 -9.505 1.00 0.00 O ATOM 119 OD2 ASP A 158 -11.659 -3.110 -10.087 1.00 0.00 O ATOM 0 H ASP A 158 -7.666 -1.486 -12.412 1.00 0.00 H new ATOM 0 HA ASP A 158 -9.326 -0.865 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -10.266 -2.180 -11.954 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -9.000 -3.379 -11.773 1.00 0.00 H new ATOM 124 N LEU A 159 -7.858 -1.831 -8.372 1.00 0.00 N ATOM 125 CA LEU A 159 -7.096 -2.427 -7.284 1.00 0.00 C ATOM 126 C LEU A 159 -8.051 -3.110 -6.314 1.00 0.00 C ATOM 127 O LEU A 159 -7.663 -3.517 -5.223 1.00 0.00 O ATOM 128 CB LEU A 159 -6.288 -1.352 -6.537 1.00 0.00 C ATOM 129 CG LEU A 159 -5.241 -0.577 -7.349 1.00 0.00 C ATOM 130 CD1 LEU A 159 -4.568 0.471 -6.476 1.00 0.00 C ATOM 131 CD2 LEU A 159 -4.199 -1.519 -7.938 1.00 0.00 C ATOM 0 H LEU A 159 -8.458 -1.057 -8.086 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.403 -3.158 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -6.990 -0.633 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -5.781 -1.831 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.752 -0.078 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.828 1.013 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.317 1.169 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.076 -0.018 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.470 -0.944 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.692 -2.051 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.688 -2.238 -8.595 1.00 0.00 H new ATOM 143 N PHE A 160 -9.297 -3.233 -6.720 1.00 0.00 N ATOM 144 CA PHE A 160 -10.347 -3.664 -5.810 1.00 0.00 C ATOM 145 C PHE A 160 -10.737 -5.122 -6.039 1.00 0.00 C ATOM 146 O PHE A 160 -10.904 -5.894 -5.083 1.00 0.00 O ATOM 147 CB PHE A 160 -11.572 -2.760 -5.992 1.00 0.00 C ATOM 148 CG PHE A 160 -11.242 -1.285 -5.962 1.00 0.00 C ATOM 149 CD1 PHE A 160 -10.940 -0.649 -4.770 1.00 0.00 C ATOM 150 CD2 PHE A 160 -11.229 -0.543 -7.137 1.00 0.00 C ATOM 151 CE1 PHE A 160 -10.629 0.697 -4.748 1.00 0.00 C ATOM 152 CE2 PHE A 160 -10.921 0.805 -7.118 1.00 0.00 C ATOM 153 CZ PHE A 160 -10.620 1.426 -5.923 1.00 0.00 C ATOM 0 H PHE A 160 -9.611 -3.042 -7.671 1.00 0.00 H new ATOM 0 HA PHE A 160 -9.968 -3.585 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -12.051 -2.998 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -12.295 -2.979 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.948 -1.211 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -11.462 -1.024 -8.075 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -10.393 1.181 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -10.916 1.371 -8.038 1.00 0.00 H new ATOM 0 HZ PHE A 160 -10.378 2.478 -5.905 1.00 0.00 H new ATOM 163 N GLY A 161 -10.874 -5.491 -7.292 1.00 0.00 N ATOM 164 CA GLY A 161 -11.311 -6.812 -7.632 1.00 0.00 C ATOM 165 C GLY A 161 -12.771 -6.809 -7.996 1.00 0.00 C ATOM 166 O GLY A 161 -13.456 -5.793 -7.812 1.00 0.00 O ATOM 0 H GLY A 161 -10.686 -4.886 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.723 -7.192 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -11.142 -7.485 -6.791 1.00 0.00 H new ATOM 170 N SER A 162 -13.273 -7.926 -8.463 1.00 0.00 N ATOM 171 CA SER A 162 -14.675 -8.034 -8.850 1.00 0.00 C ATOM 172 C SER A 162 -15.512 -8.317 -7.600 1.00 0.00 C ATOM 173 O SER A 162 -16.754 -8.266 -7.600 1.00 0.00 O ATOM 174 CB SER A 162 -14.827 -9.133 -9.882 1.00 0.00 C ATOM 175 OG SER A 162 -13.978 -8.879 -11.010 1.00 0.00 O ATOM 0 H SER A 162 -12.735 -8.783 -8.588 1.00 0.00 H new ATOM 0 HA SER A 162 -15.025 -7.103 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 162 -14.574 -10.096 -9.438 1.00 0.00 H new ATOM 0 HB3 SER A 162 -15.866 -9.195 -10.207 1.00 0.00 H new ATOM 0 HG SER A 162 -14.085 -9.597 -11.668 1.00 0.00 H new ATOM 181 N ASP A 163 -14.791 -8.612 -6.563 1.00 0.00 N ATOM 182 CA ASP A 163 -15.241 -8.802 -5.223 1.00 0.00 C ATOM 183 C ASP A 163 -13.960 -8.738 -4.459 1.00 0.00 C ATOM 184 O ASP A 163 -12.894 -8.962 -5.051 1.00 0.00 O ATOM 185 CB ASP A 163 -15.928 -10.165 -5.019 1.00 0.00 C ATOM 186 CG ASP A 163 -16.541 -10.317 -3.646 1.00 0.00 C ATOM 187 OD1 ASP A 163 -15.816 -10.625 -2.679 1.00 0.00 O ATOM 188 OD2 ASP A 163 -17.752 -10.131 -3.515 1.00 0.00 O ATOM 0 H ASP A 163 -13.782 -8.737 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 163 -15.991 -8.071 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.704 -10.291 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -15.199 -10.960 -5.176 1.00 0.00 H new ATOM 193 N ASN A 164 -14.000 -8.476 -3.213 1.00 0.00 N ATOM 194 CA ASN A 164 -12.758 -8.256 -2.505 1.00 0.00 C ATOM 195 C ASN A 164 -12.181 -9.586 -2.073 1.00 0.00 C ATOM 196 O ASN A 164 -10.970 -9.759 -2.006 1.00 0.00 O ATOM 197 CB ASN A 164 -12.939 -7.297 -1.320 1.00 0.00 C ATOM 198 CG ASN A 164 -11.619 -6.743 -0.780 1.00 0.00 C ATOM 199 OD1 ASN A 164 -10.665 -6.476 -1.653 1.00 0.00 O flip ATOM 200 ND2 ASN A 164 -11.488 -6.485 0.416 1.00 0.00 N flip ATOM 0 H ASN A 164 -14.849 -8.405 -2.651 1.00 0.00 H new ATOM 0 HA ASN A 164 -12.051 -7.773 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -13.574 -6.466 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -13.462 -7.817 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -12.240 -6.701 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -10.627 -6.055 0.754 1.00 0.00 H new ATOM 207 N GLU A 165 -13.063 -10.548 -1.886 1.00 0.00 N ATOM 208 CA GLU A 165 -12.681 -11.895 -1.495 1.00 0.00 C ATOM 209 C GLU A 165 -12.182 -12.662 -2.699 1.00 0.00 C ATOM 210 O GLU A 165 -11.355 -13.561 -2.583 1.00 0.00 O ATOM 211 CB GLU A 165 -13.882 -12.636 -0.916 1.00 0.00 C ATOM 212 CG GLU A 165 -14.422 -12.050 0.364 1.00 0.00 C ATOM 213 CD GLU A 165 -13.454 -12.181 1.501 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.458 -13.233 2.180 1.00 0.00 O ATOM 215 OE2 GLU A 165 -12.684 -11.239 1.757 1.00 0.00 O ATOM 0 H GLU A 165 -14.068 -10.419 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 165 -11.893 -11.822 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -14.679 -12.647 -1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.600 -13.673 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -14.657 -10.997 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -15.355 -12.549 0.625 1.00 0.00 H new ATOM 222 N GLU A 166 -12.667 -12.292 -3.863 1.00 0.00 N ATOM 223 CA GLU A 166 -12.325 -13.025 -5.049 1.00 0.00 C ATOM 224 C GLU A 166 -10.935 -12.654 -5.538 1.00 0.00 C ATOM 225 O GLU A 166 -10.206 -13.496 -6.020 1.00 0.00 O ATOM 226 CB GLU A 166 -13.442 -12.908 -6.116 1.00 0.00 C ATOM 227 CG GLU A 166 -13.568 -11.607 -6.898 1.00 0.00 C ATOM 228 CD GLU A 166 -12.584 -11.429 -8.019 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.427 -12.351 -8.833 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.019 -10.339 -8.152 1.00 0.00 O ATOM 0 H GLU A 166 -13.291 -11.498 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.268 -14.088 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.299 -13.714 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.395 -13.090 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.576 -11.547 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.456 -10.774 -6.204 1.00 0.00 H new ATOM 237 N GLU A 167 -10.559 -11.395 -5.355 1.00 0.00 N ATOM 238 CA GLU A 167 -9.250 -10.927 -5.768 1.00 0.00 C ATOM 239 C GLU A 167 -8.180 -11.224 -4.680 1.00 0.00 C ATOM 240 O GLU A 167 -7.028 -10.771 -4.776 1.00 0.00 O ATOM 241 CB GLU A 167 -9.274 -9.449 -6.062 1.00 0.00 C ATOM 242 CG GLU A 167 -8.122 -9.011 -6.955 1.00 0.00 C ATOM 243 CD GLU A 167 -8.371 -9.251 -8.424 1.00 0.00 C ATOM 244 OE1 GLU A 167 -8.226 -10.392 -8.901 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.687 -8.282 -9.151 1.00 0.00 O ATOM 0 H GLU A 167 -11.146 -10.682 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 167 -8.985 -11.465 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.219 -9.193 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.233 -8.895 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.933 -7.949 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.219 -9.544 -6.656 1.00 0.00 H new ATOM 252 N ASP A 168 -8.557 -11.999 -3.660 1.00 0.00 N ATOM 253 CA ASP A 168 -7.619 -12.398 -2.565 1.00 0.00 C ATOM 254 C ASP A 168 -6.390 -13.113 -3.141 1.00 0.00 C ATOM 255 O ASP A 168 -5.292 -13.071 -2.570 1.00 0.00 O ATOM 256 CB ASP A 168 -8.316 -13.266 -1.511 1.00 0.00 C ATOM 257 CG ASP A 168 -7.383 -13.709 -0.403 1.00 0.00 C ATOM 258 OD1 ASP A 168 -7.057 -12.898 0.490 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.946 -14.872 -0.405 1.00 0.00 O ATOM 0 H ASP A 168 -9.501 -12.371 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 168 -7.286 -11.488 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -9.146 -12.708 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.741 -14.145 -1.995 1.00 0.00 H new ATOM 264 N LYS A 169 -6.600 -13.741 -4.289 1.00 0.00 N ATOM 265 CA LYS A 169 -5.539 -14.297 -5.131 1.00 0.00 C ATOM 266 C LYS A 169 -4.400 -13.274 -5.305 1.00 0.00 C ATOM 267 O LYS A 169 -3.261 -13.547 -4.971 1.00 0.00 O ATOM 268 CB LYS A 169 -6.123 -14.643 -6.516 1.00 0.00 C ATOM 269 CG LYS A 169 -7.230 -13.683 -6.912 1.00 0.00 C ATOM 270 CD LYS A 169 -7.386 -13.431 -8.383 1.00 0.00 C ATOM 271 CE LYS A 169 -6.142 -12.826 -8.990 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.468 -12.109 -10.230 1.00 0.00 N ATOM 0 H LYS A 169 -7.534 -13.884 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.141 -15.193 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.330 -14.613 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.511 -15.661 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.174 -14.069 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.051 -12.729 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.617 -14.369 -8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.231 -12.763 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.680 -12.142 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.414 -13.610 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.636 -11.574 -10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.745 -12.792 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.255 -11.452 -10.054 1.00 0.00 H new ATOM 286 N GLU A 170 -4.734 -12.060 -5.756 1.00 0.00 N ATOM 287 CA GLU A 170 -3.735 -11.054 -5.987 1.00 0.00 C ATOM 288 C GLU A 170 -3.264 -10.391 -4.752 1.00 0.00 C ATOM 289 O GLU A 170 -2.175 -9.847 -4.740 1.00 0.00 O ATOM 290 CB GLU A 170 -4.042 -10.094 -7.123 1.00 0.00 C ATOM 291 CG GLU A 170 -3.357 -10.538 -8.396 1.00 0.00 C ATOM 292 CD GLU A 170 -3.730 -9.761 -9.621 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.699 -10.134 -10.303 1.00 0.00 O ATOM 294 OE2 GLU A 170 -3.026 -8.803 -9.966 1.00 0.00 O ATOM 0 H GLU A 170 -5.689 -11.767 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.877 -11.617 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.119 -10.043 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.711 -9.090 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.279 -10.467 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.588 -11.589 -8.567 1.00 0.00 H new ATOM 301 N ALA A 171 -4.052 -10.466 -3.698 1.00 0.00 N ATOM 302 CA ALA A 171 -3.600 -9.996 -2.409 1.00 0.00 C ATOM 303 C ALA A 171 -2.321 -10.756 -2.058 1.00 0.00 C ATOM 304 O ALA A 171 -1.339 -10.163 -1.643 1.00 0.00 O ATOM 305 CB ALA A 171 -4.672 -10.201 -1.346 1.00 0.00 C ATOM 0 H ALA A 171 -4.999 -10.844 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.399 -8.925 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.306 -9.839 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.570 -9.649 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.908 -11.262 -1.267 1.00 0.00 H new ATOM 311 N ALA A 172 -2.332 -12.056 -2.342 1.00 0.00 N ATOM 312 CA ALA A 172 -1.187 -12.922 -2.141 1.00 0.00 C ATOM 313 C ALA A 172 -0.159 -12.721 -3.238 1.00 0.00 C ATOM 314 O ALA A 172 0.986 -12.455 -2.939 1.00 0.00 O ATOM 315 CB ALA A 172 -1.615 -14.379 -2.081 1.00 0.00 C ATOM 0 H ALA A 172 -3.147 -12.537 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.730 -12.657 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.739 -15.010 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.311 -14.520 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.103 -14.654 -3.016 1.00 0.00 H new ATOM 321 N GLN A 173 -0.591 -12.814 -4.507 1.00 0.00 N ATOM 322 CA GLN A 173 0.301 -12.689 -5.670 1.00 0.00 C ATOM 323 C GLN A 173 1.111 -11.404 -5.646 1.00 0.00 C ATOM 324 O GLN A 173 2.322 -11.438 -5.641 1.00 0.00 O ATOM 325 CB GLN A 173 -0.487 -12.742 -6.960 1.00 0.00 C ATOM 326 CG GLN A 173 -1.250 -14.030 -7.182 1.00 0.00 C ATOM 327 CD GLN A 173 -2.067 -14.014 -8.456 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.131 -14.621 -8.533 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.571 -13.353 -9.465 1.00 0.00 N ATOM 0 H GLN A 173 -1.567 -12.978 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 173 0.991 -13.531 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.192 -11.911 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.198 -12.593 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.547 -14.862 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.911 -14.206 -6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.684 -12.860 -9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.070 -13.329 -10.354 1.00 0.00 H new ATOM 338 N LEU A 174 0.436 -10.284 -5.599 1.00 0.00 N ATOM 339 CA LEU A 174 1.104 -8.983 -5.603 1.00 0.00 C ATOM 340 C LEU A 174 2.026 -8.844 -4.408 1.00 0.00 C ATOM 341 O LEU A 174 3.166 -8.373 -4.540 1.00 0.00 O ATOM 342 CB LEU A 174 0.075 -7.886 -5.606 1.00 0.00 C ATOM 343 CG LEU A 174 -0.891 -7.916 -6.786 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.917 -6.805 -6.665 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.146 -7.815 -8.107 1.00 0.00 C ATOM 0 H LEU A 174 -0.582 -10.234 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 174 1.712 -8.905 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.501 -7.945 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.589 -6.925 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.414 -8.872 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.597 -6.843 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.483 -6.932 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.409 -5.841 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.860 -7.839 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.413 -6.880 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.544 -8.654 -8.201 1.00 0.00 H new ATOM 357 N ARG A 175 1.521 -9.250 -3.259 1.00 0.00 N ATOM 358 CA ARG A 175 2.306 -9.313 -2.009 1.00 0.00 C ATOM 359 C ARG A 175 3.614 -10.102 -2.200 1.00 0.00 C ATOM 360 O ARG A 175 4.711 -9.591 -1.931 1.00 0.00 O ATOM 361 CB ARG A 175 1.472 -9.996 -0.922 1.00 0.00 C ATOM 362 CG ARG A 175 2.235 -10.465 0.304 1.00 0.00 C ATOM 363 CD ARG A 175 1.358 -11.363 1.143 1.00 0.00 C ATOM 364 NE ARG A 175 2.096 -12.038 2.218 1.00 0.00 N ATOM 365 CZ ARG A 175 1.746 -13.232 2.733 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.578 -13.792 2.398 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.542 -13.839 3.608 1.00 0.00 N ATOM 0 H ARG A 175 0.552 -9.550 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 175 2.558 -8.293 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.695 -9.304 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.969 -10.856 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.134 -11.001 0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.559 -9.606 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.552 -10.772 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.894 -12.112 0.501 1.00 0.00 H new ATOM 0 HE ARG A 175 2.922 -11.575 2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.050 -13.314 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.315 -14.696 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.419 -13.400 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.276 -14.743 3.998 1.00 0.00 H new ATOM 381 N GLU A 176 3.492 -11.335 -2.671 1.00 0.00 N ATOM 382 CA GLU A 176 4.635 -12.200 -2.818 1.00 0.00 C ATOM 383 C GLU A 176 5.600 -11.685 -3.850 1.00 0.00 C ATOM 384 O GLU A 176 6.803 -11.691 -3.621 1.00 0.00 O ATOM 385 CB GLU A 176 4.240 -13.655 -3.069 1.00 0.00 C ATOM 386 CG GLU A 176 3.365 -13.908 -4.278 1.00 0.00 C ATOM 387 CD GLU A 176 3.077 -15.363 -4.472 1.00 0.00 C ATOM 388 OE1 GLU A 176 2.587 -16.006 -3.523 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.329 -15.907 -5.568 1.00 0.00 O ATOM 0 H GLU A 176 2.606 -11.752 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 176 5.159 -12.188 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.151 -14.244 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.721 -14.027 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.426 -13.365 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.856 -13.515 -5.168 1.00 0.00 H new ATOM 396 N GLU A 177 5.073 -11.183 -4.949 1.00 0.00 N ATOM 397 CA GLU A 177 5.902 -10.625 -6.006 1.00 0.00 C ATOM 398 C GLU A 177 6.727 -9.460 -5.481 1.00 0.00 C ATOM 399 O GLU A 177 7.877 -9.292 -5.870 1.00 0.00 O ATOM 400 CB GLU A 177 5.081 -10.221 -7.227 1.00 0.00 C ATOM 401 CG GLU A 177 4.375 -11.391 -7.898 1.00 0.00 C ATOM 402 CD GLU A 177 3.571 -10.978 -9.108 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.850 -9.966 -9.051 1.00 0.00 O ATOM 404 OE2 GLU A 177 3.663 -11.654 -10.168 1.00 0.00 O ATOM 0 H GLU A 177 4.071 -11.149 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 177 6.586 -11.408 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.338 -9.482 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.736 -9.738 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.116 -12.133 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.715 -11.872 -7.177 1.00 0.00 H new ATOM 411 N ARG A 178 6.165 -8.694 -4.547 1.00 0.00 N ATOM 412 CA ARG A 178 6.904 -7.599 -3.931 1.00 0.00 C ATOM 413 C ARG A 178 8.086 -8.100 -3.135 1.00 0.00 C ATOM 414 O ARG A 178 9.189 -7.579 -3.274 1.00 0.00 O ATOM 415 CB ARG A 178 6.031 -6.701 -3.057 1.00 0.00 C ATOM 416 CG ARG A 178 5.099 -5.826 -3.840 1.00 0.00 C ATOM 417 CD ARG A 178 4.370 -4.851 -2.958 1.00 0.00 C ATOM 418 NE ARG A 178 3.663 -3.850 -3.757 1.00 0.00 N ATOM 419 CZ ARG A 178 3.364 -2.619 -3.335 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.506 -2.300 -2.056 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.871 -1.727 -4.182 1.00 0.00 N ATOM 0 H ARG A 178 5.211 -8.811 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 178 7.267 -6.992 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.448 -7.324 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.673 -6.073 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.663 -5.280 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.376 -6.447 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.660 -5.386 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 178 5.078 -4.357 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 178 3.379 -4.110 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 178 3.844 -2.996 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.277 -1.359 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.719 -1.980 -5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.643 -0.787 -3.858 1.00 0.00 H new ATOM 435 N LEU A 179 7.879 -9.134 -2.331 1.00 0.00 N ATOM 436 CA LEU A 179 8.976 -9.654 -1.523 1.00 0.00 C ATOM 437 C LEU A 179 10.014 -10.363 -2.394 1.00 0.00 C ATOM 438 O LEU A 179 11.203 -10.403 -2.057 1.00 0.00 O ATOM 439 CB LEU A 179 8.487 -10.490 -0.302 1.00 0.00 C ATOM 440 CG LEU A 179 7.654 -11.761 -0.553 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.516 -12.943 -0.988 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.831 -12.113 0.673 1.00 0.00 C ATOM 0 H LEU A 179 6.988 -9.619 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 179 9.488 -8.803 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.367 -10.781 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.897 -9.830 0.334 1.00 0.00 H new ATOM 0 HG LEU A 179 6.976 -11.543 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.882 -13.814 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 179 9.036 -12.693 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.246 -13.167 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.250 -13.014 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.495 -12.289 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 179 6.156 -11.290 0.907 1.00 0.00 H new ATOM 454 N ARG A 180 9.555 -10.896 -3.533 1.00 0.00 N ATOM 455 CA ARG A 180 10.453 -11.486 -4.519 1.00 0.00 C ATOM 456 C ARG A 180 11.345 -10.393 -5.047 1.00 0.00 C ATOM 457 O ARG A 180 12.550 -10.444 -4.900 1.00 0.00 O ATOM 458 CB ARG A 180 9.685 -12.085 -5.705 1.00 0.00 C ATOM 459 CG ARG A 180 8.712 -13.184 -5.360 1.00 0.00 C ATOM 460 CD ARG A 180 9.394 -14.405 -4.784 1.00 0.00 C ATOM 461 NE ARG A 180 8.414 -15.434 -4.462 1.00 0.00 N ATOM 462 CZ ARG A 180 7.872 -16.288 -5.342 1.00 0.00 C ATOM 463 NH1 ARG A 180 8.259 -16.283 -6.623 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.950 -17.144 -4.930 1.00 0.00 N ATOM 0 H ARG A 180 8.568 -10.928 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 180 11.018 -12.284 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.139 -11.284 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.407 -12.475 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 180 7.983 -12.807 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.160 -13.469 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 180 10.118 -14.795 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.949 -14.130 -3.887 1.00 0.00 H new ATOM 0 HE ARG A 180 8.117 -15.511 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 180 8.972 -15.625 -6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 180 7.841 -16.937 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.659 -17.149 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.530 -17.799 -5.590 1.00 0.00 H new ATOM 478 N GLN A 181 10.712 -9.366 -5.599 1.00 0.00 N ATOM 479 CA GLN A 181 11.402 -8.237 -6.198 1.00 0.00 C ATOM 480 C GLN A 181 12.334 -7.542 -5.221 1.00 0.00 C ATOM 481 O GLN A 181 13.442 -7.187 -5.579 1.00 0.00 O ATOM 482 CB GLN A 181 10.403 -7.257 -6.801 1.00 0.00 C ATOM 483 CG GLN A 181 9.639 -7.820 -7.994 1.00 0.00 C ATOM 484 CD GLN A 181 10.532 -8.118 -9.176 1.00 0.00 C ATOM 485 OE1 GLN A 181 10.760 -7.254 -10.019 1.00 0.00 O ATOM 486 NE2 GLN A 181 11.020 -9.315 -9.270 1.00 0.00 N ATOM 0 H GLN A 181 9.695 -9.295 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 181 12.029 -8.629 -6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.690 -6.958 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 181 10.933 -6.356 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.127 -8.734 -7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 181 8.871 -7.108 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 181 10.811 -10.009 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 181 11.613 -9.563 -10.062 1.00 0.00 H new ATOM 495 N TYR A 182 11.892 -7.374 -3.999 1.00 0.00 N ATOM 496 CA TYR A 182 12.715 -6.761 -2.969 1.00 0.00 C ATOM 497 C TYR A 182 14.026 -7.524 -2.761 1.00 0.00 C ATOM 498 O TYR A 182 15.116 -6.957 -2.924 1.00 0.00 O ATOM 499 CB TYR A 182 11.949 -6.616 -1.636 1.00 0.00 C ATOM 500 CG TYR A 182 12.846 -6.245 -0.468 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.462 -4.999 -0.395 1.00 0.00 C ATOM 502 CD2 TYR A 182 13.117 -7.170 0.538 1.00 0.00 C ATOM 503 CE1 TYR A 182 14.312 -4.688 0.648 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.971 -6.868 1.574 1.00 0.00 C ATOM 505 CZ TYR A 182 14.562 -5.629 1.627 1.00 0.00 C ATOM 506 OH TYR A 182 15.430 -5.338 2.657 1.00 0.00 O ATOM 0 H TYR A 182 10.962 -7.653 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 182 12.964 -5.760 -3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 182 11.177 -5.855 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.441 -7.554 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 182 13.273 -4.265 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.648 -8.142 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.778 -3.715 0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 182 14.175 -7.601 2.341 1.00 0.00 H new ATOM 0 HH TYR A 182 15.492 -6.108 3.260 1.00 0.00 H new ATOM 516 N ALA A 183 13.921 -8.795 -2.443 1.00 0.00 N ATOM 517 CA ALA A 183 15.090 -9.592 -2.154 1.00 0.00 C ATOM 518 C ALA A 183 15.913 -9.836 -3.406 1.00 0.00 C ATOM 519 O ALA A 183 17.118 -9.595 -3.428 1.00 0.00 O ATOM 520 CB ALA A 183 14.689 -10.907 -1.509 1.00 0.00 C ATOM 0 H ALA A 183 13.036 -9.299 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 183 15.712 -9.037 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.582 -11.496 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 183 14.157 -10.709 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 183 14.041 -11.462 -2.187 1.00 0.00 H new ATOM 526 N GLU A 184 15.250 -10.239 -4.463 1.00 0.00 N ATOM 527 CA GLU A 184 15.920 -10.613 -5.686 1.00 0.00 C ATOM 528 C GLU A 184 16.582 -9.439 -6.405 1.00 0.00 C ATOM 529 O GLU A 184 17.554 -9.638 -7.130 1.00 0.00 O ATOM 530 CB GLU A 184 14.994 -11.418 -6.591 1.00 0.00 C ATOM 531 CG GLU A 184 14.579 -12.741 -5.950 1.00 0.00 C ATOM 532 CD GLU A 184 13.615 -13.540 -6.778 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.971 -13.933 -7.898 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.492 -13.814 -6.313 1.00 0.00 O ATOM 0 H GLU A 184 14.234 -10.317 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 184 16.749 -11.262 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.105 -10.829 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.494 -11.615 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.471 -13.341 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.127 -12.538 -4.979 1.00 0.00 H new ATOM 541 N LYS A 185 16.091 -8.225 -6.222 1.00 0.00 N ATOM 542 CA LYS A 185 16.786 -7.093 -6.810 1.00 0.00 C ATOM 543 C LYS A 185 17.955 -6.678 -5.938 1.00 0.00 C ATOM 544 O LYS A 185 19.072 -6.640 -6.405 1.00 0.00 O ATOM 545 CB LYS A 185 15.887 -5.873 -7.071 1.00 0.00 C ATOM 546 CG LYS A 185 14.772 -6.085 -8.086 1.00 0.00 C ATOM 547 CD LYS A 185 13.995 -4.789 -8.295 1.00 0.00 C ATOM 548 CE LYS A 185 12.734 -5.001 -9.124 1.00 0.00 C ATOM 549 NZ LYS A 185 13.013 -5.542 -10.465 1.00 0.00 N ATOM 0 H LYS A 185 15.248 -8.002 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 185 17.137 -7.438 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.440 -5.564 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.513 -5.049 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.192 -6.422 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.099 -6.869 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.724 -4.369 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.635 -4.059 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.068 -5.682 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.207 -4.052 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 12.824 -4.811 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.010 -5.832 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.402 -6.365 -10.641 1.00 0.00 H new ATOM 563 N LYS A 186 17.696 -6.450 -4.655 1.00 0.00 N ATOM 564 CA LYS A 186 18.709 -5.892 -3.744 1.00 0.00 C ATOM 565 C LYS A 186 19.848 -6.850 -3.413 1.00 0.00 C ATOM 566 O LYS A 186 20.966 -6.416 -3.144 1.00 0.00 O ATOM 567 CB LYS A 186 18.094 -5.339 -2.445 1.00 0.00 C ATOM 568 CG LYS A 186 17.398 -3.977 -2.556 1.00 0.00 C ATOM 569 CD LYS A 186 16.237 -3.980 -3.532 1.00 0.00 C ATOM 570 CE LYS A 186 15.479 -2.666 -3.512 1.00 0.00 C ATOM 571 NZ LYS A 186 16.309 -1.532 -3.970 1.00 0.00 N ATOM 0 H LYS A 186 16.796 -6.640 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 186 19.143 -5.066 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.371 -6.064 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.883 -5.261 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.037 -3.679 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 186 18.126 -3.228 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.609 -4.169 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.557 -4.795 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.597 -2.748 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.125 -2.469 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 16.020 -0.666 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 17.310 -1.730 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 16.183 -1.400 -4.994 1.00 0.00 H new ATOM 585 N ALA A 187 19.579 -8.130 -3.413 1.00 0.00 N ATOM 586 CA ALA A 187 20.608 -9.098 -3.085 1.00 0.00 C ATOM 587 C ALA A 187 21.583 -9.283 -4.235 1.00 0.00 C ATOM 588 O ALA A 187 22.769 -9.538 -4.029 1.00 0.00 O ATOM 589 CB ALA A 187 19.994 -10.423 -2.699 1.00 0.00 C ATOM 0 H ALA A 187 18.667 -8.529 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 187 21.164 -8.709 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.784 -11.134 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.350 -10.286 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.403 -10.807 -3.531 1.00 0.00 H new ATOM 595 N LYS A 188 21.093 -9.139 -5.439 1.00 0.00 N ATOM 596 CA LYS A 188 21.923 -9.348 -6.601 1.00 0.00 C ATOM 597 C LYS A 188 22.491 -8.027 -7.088 1.00 0.00 C ATOM 598 O LYS A 188 23.685 -7.909 -7.346 1.00 0.00 O ATOM 599 CB LYS A 188 21.174 -10.105 -7.739 1.00 0.00 C ATOM 600 CG LYS A 188 20.805 -11.582 -7.427 1.00 0.00 C ATOM 601 CD LYS A 188 19.735 -11.703 -6.347 1.00 0.00 C ATOM 602 CE LYS A 188 19.472 -13.140 -5.932 1.00 0.00 C ATOM 603 NZ LYS A 188 18.970 -13.989 -7.036 1.00 0.00 N ATOM 0 H LYS A 188 20.128 -8.879 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 188 22.751 -9.991 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.259 -9.561 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.794 -10.085 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.452 -12.065 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 188 21.700 -12.117 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 188 20.042 -11.128 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 188 18.808 -11.260 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 188 20.394 -13.572 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 188 18.747 -13.148 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 18.811 -14.955 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 18.075 -13.599 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.671 -14.010 -7.804 1.00 0.00 H new ATOM 617 N LYS A 189 21.656 -7.028 -7.152 1.00 0.00 N ATOM 618 CA LYS A 189 22.061 -5.724 -7.598 1.00 0.00 C ATOM 619 C LYS A 189 22.322 -4.861 -6.381 1.00 0.00 C ATOM 620 O LYS A 189 21.464 -4.758 -5.509 1.00 0.00 O ATOM 621 CB LYS A 189 20.965 -5.092 -8.463 1.00 0.00 C ATOM 622 CG LYS A 189 20.609 -5.900 -9.696 1.00 0.00 C ATOM 623 CD LYS A 189 19.494 -5.239 -10.488 1.00 0.00 C ATOM 624 CE LYS A 189 19.247 -5.946 -11.820 1.00 0.00 C ATOM 625 NZ LYS A 189 18.877 -7.373 -11.665 1.00 0.00 N ATOM 0 H LYS A 189 20.671 -7.095 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 189 22.966 -5.806 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.069 -4.960 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 189 21.289 -4.099 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 189 21.490 -6.010 -10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.302 -6.903 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 189 18.577 -5.244 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.749 -4.195 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 189 18.452 -5.428 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.145 -5.875 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 18.674 -7.782 -12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 19.665 -7.890 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 18.033 -7.449 -11.062 1.00 0.00 H new ATOM 639 N PRO A 190 23.493 -4.213 -6.312 1.00 0.00 N ATOM 640 CA PRO A 190 23.908 -3.376 -5.155 1.00 0.00 C ATOM 641 C PRO A 190 23.110 -2.049 -5.029 1.00 0.00 C ATOM 642 O PRO A 190 23.674 -0.984 -4.759 1.00 0.00 O ATOM 643 CB PRO A 190 25.381 -3.083 -5.470 1.00 0.00 C ATOM 644 CG PRO A 190 25.467 -3.154 -6.951 1.00 0.00 C ATOM 645 CD PRO A 190 24.535 -4.247 -7.360 1.00 0.00 C ATOM 0 HA PRO A 190 23.732 -3.883 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.678 -2.101 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 190 26.040 -3.812 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 190 25.181 -2.205 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.486 -3.368 -7.274 1.00 0.00 H new ATOM 0 HD2 PRO A 190 24.116 -4.069 -8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 190 25.039 -5.213 -7.396 1.00 0.00 H new ATOM 653 N ALA A 191 21.815 -2.128 -5.178 1.00 0.00 N ATOM 654 CA ALA A 191 20.961 -0.980 -5.068 1.00 0.00 C ATOM 655 C ALA A 191 20.233 -1.008 -3.736 1.00 0.00 C ATOM 656 O ALA A 191 19.068 -1.434 -3.644 1.00 0.00 O ATOM 657 CB ALA A 191 19.983 -0.900 -6.235 1.00 0.00 C ATOM 0 H ALA A 191 21.321 -2.997 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 191 21.577 -0.082 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 191 19.351 -0.019 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 191 20.538 -0.829 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 191 19.360 -1.794 -6.249 1.00 0.00 H new ATOM 663 N LEU A 192 20.947 -0.658 -2.700 1.00 0.00 N ATOM 664 CA LEU A 192 20.407 -0.597 -1.373 1.00 0.00 C ATOM 665 C LEU A 192 20.537 0.818 -0.860 1.00 0.00 C ATOM 666 O LEU A 192 21.635 1.208 -0.423 1.00 0.00 O ATOM 667 CB LEU A 192 21.095 -1.592 -0.399 1.00 0.00 C ATOM 668 CG LEU A 192 20.997 -3.095 -0.734 1.00 0.00 C ATOM 669 CD1 LEU A 192 21.971 -3.511 -1.824 1.00 0.00 C ATOM 670 CD2 LEU A 192 21.174 -3.948 0.509 1.00 0.00 C ATOM 671 OXT LEU A 192 19.547 1.571 -0.907 1.00 0.00 O ATOM 0 H LEU A 192 21.933 -0.404 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 192 19.358 -0.890 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 192 22.151 -1.328 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 192 20.671 -1.440 0.593 1.00 0.00 H new ATOM 0 HG LEU A 192 19.993 -3.264 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 192 21.862 -4.577 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 192 21.760 -2.949 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 192 22.991 -3.305 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 192 21.100 -5.002 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 192 22.153 -3.753 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 192 20.397 -3.702 1.233 1.00 0.00 H new TER 683 LEU A 192