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 Single : A 152 SER OG : rot 180:sc= -0.0547 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.0039) USER MOD Single : A 169 LYS NZ :NH3+ 167:sc= 1.66 (180deg=1.45) USER MOD Single : A 173 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 181 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 165:sc= -0.0591 (180deg=-0.307) USER MOD Single : A 186 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0177) USER MOD Single : A 188 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00357) USER MOD Single : A 189 LYS NZ :NH3+ -168:sc= -0.0137 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 2.289 6.854 -7.898 1.00 0.00 N ATOM 2 CA GLY A 149 1.177 6.460 -7.035 1.00 0.00 C ATOM 3 C GLY A 149 0.212 5.596 -7.793 1.00 0.00 C ATOM 4 O GLY A 149 0.288 5.541 -9.019 1.00 0.00 O ATOM 0 HA2 GLY A 149 1.555 5.920 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.666 7.347 -6.661 1.00 0.00 H new ATOM 10 N PRO A 150 -0.726 4.899 -7.112 1.00 0.00 N ATOM 11 CA PRO A 150 -1.700 4.025 -7.772 1.00 0.00 C ATOM 12 C PRO A 150 -2.864 4.811 -8.384 1.00 0.00 C ATOM 13 O PRO A 150 -3.825 4.228 -8.895 1.00 0.00 O ATOM 14 CB PRO A 150 -2.217 3.117 -6.634 1.00 0.00 C ATOM 15 CG PRO A 150 -1.432 3.500 -5.412 1.00 0.00 C ATOM 16 CD PRO A 150 -0.906 4.884 -5.656 1.00 0.00 C ATOM 0 HA PRO A 150 -1.249 3.477 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -3.285 3.262 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -2.072 2.065 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -2.063 3.476 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -0.615 2.799 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -1.608 5.650 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 150 0.031 5.061 -5.129 1.00 0.00 H new ATOM 24 N GLY A 151 -2.787 6.123 -8.307 1.00 0.00 N ATOM 25 CA GLY A 151 -3.809 6.965 -8.851 1.00 0.00 C ATOM 26 C GLY A 151 -5.014 6.948 -7.969 1.00 0.00 C ATOM 27 O GLY A 151 -5.123 7.737 -7.036 1.00 0.00 O ATOM 0 H GLY A 151 -2.016 6.625 -7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -3.436 7.984 -8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -4.077 6.625 -9.851 1.00 0.00 H new ATOM 31 N SER A 152 -5.909 6.046 -8.247 1.00 0.00 N ATOM 32 CA SER A 152 -7.099 5.889 -7.463 1.00 0.00 C ATOM 33 C SER A 152 -7.520 4.421 -7.434 1.00 0.00 C ATOM 34 O SER A 152 -8.677 4.113 -7.124 1.00 0.00 O ATOM 35 CB SER A 152 -8.212 6.754 -8.049 1.00 0.00 C ATOM 36 OG SER A 152 -7.794 8.111 -8.151 1.00 0.00 O ATOM 0 H SER A 152 -5.834 5.395 -9.028 1.00 0.00 H new ATOM 0 HA SER A 152 -6.903 6.209 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 152 -8.490 6.379 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 152 -9.100 6.688 -7.420 1.00 0.00 H new ATOM 0 HG SER A 152 -8.520 8.649 -8.530 1.00 0.00 H new ATOM 42 N GLU A 153 -6.565 3.510 -7.708 1.00 0.00 N ATOM 43 CA GLU A 153 -6.862 2.067 -7.728 1.00 0.00 C ATOM 44 C GLU A 153 -7.436 1.596 -6.405 1.00 0.00 C ATOM 45 O GLU A 153 -8.403 0.873 -6.376 1.00 0.00 O ATOM 46 CB GLU A 153 -5.632 1.202 -8.037 1.00 0.00 C ATOM 47 CG GLU A 153 -5.042 1.351 -9.420 1.00 0.00 C ATOM 48 CD GLU A 153 -4.011 0.274 -9.700 1.00 0.00 C ATOM 49 OE1 GLU A 153 -2.844 0.396 -9.265 1.00 0.00 O ATOM 50 OE2 GLU A 153 -4.362 -0.735 -10.355 1.00 0.00 O ATOM 0 H GLU A 153 -5.594 3.745 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.592 1.944 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -4.857 1.435 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -5.903 0.156 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.837 1.298 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.580 2.333 -9.516 1.00 0.00 H new ATOM 57 N ASP A 154 -6.867 2.053 -5.324 1.00 0.00 N ATOM 58 CA ASP A 154 -7.263 1.565 -4.007 1.00 0.00 C ATOM 59 C ASP A 154 -8.449 2.360 -3.481 1.00 0.00 C ATOM 60 O ASP A 154 -9.236 1.881 -2.672 1.00 0.00 O ATOM 61 CB ASP A 154 -6.074 1.644 -3.036 1.00 0.00 C ATOM 62 CG ASP A 154 -6.365 1.050 -1.675 1.00 0.00 C ATOM 63 OD1 ASP A 154 -6.261 -0.188 -1.516 1.00 0.00 O ATOM 64 OD2 ASP A 154 -6.696 1.798 -0.740 1.00 0.00 O ATOM 0 H ASP A 154 -6.131 2.759 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 154 -7.568 0.522 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.222 1.126 -3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -5.784 2.688 -2.914 1.00 0.00 H new ATOM 69 N ASP A 155 -8.594 3.547 -3.988 1.00 0.00 N ATOM 70 CA ASP A 155 -9.662 4.445 -3.555 1.00 0.00 C ATOM 71 C ASP A 155 -10.983 4.064 -4.179 1.00 0.00 C ATOM 72 O ASP A 155 -12.001 3.916 -3.491 1.00 0.00 O ATOM 73 CB ASP A 155 -9.334 5.897 -3.928 1.00 0.00 C ATOM 74 CG ASP A 155 -8.143 6.441 -3.198 1.00 0.00 C ATOM 75 OD1 ASP A 155 -7.000 6.212 -3.644 1.00 0.00 O ATOM 76 OD2 ASP A 155 -8.324 7.121 -2.168 1.00 0.00 O ATOM 0 H ASP A 155 -7.987 3.934 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 155 -9.741 4.355 -2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -9.153 5.957 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -10.200 6.524 -3.715 1.00 0.00 H new ATOM 81 N ASP A 156 -10.966 3.888 -5.477 1.00 0.00 N ATOM 82 CA ASP A 156 -12.186 3.621 -6.218 1.00 0.00 C ATOM 83 C ASP A 156 -12.413 2.151 -6.452 1.00 0.00 C ATOM 84 O ASP A 156 -13.488 1.630 -6.173 1.00 0.00 O ATOM 85 CB ASP A 156 -12.196 4.389 -7.537 1.00 0.00 C ATOM 86 CG ASP A 156 -13.415 4.092 -8.394 1.00 0.00 C ATOM 87 OD1 ASP A 156 -14.558 4.050 -7.867 1.00 0.00 O ATOM 88 OD2 ASP A 156 -13.250 3.883 -9.616 1.00 0.00 O ATOM 0 H ASP A 156 -10.122 3.924 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 156 -13.013 3.971 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -12.159 5.458 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -11.296 4.143 -8.100 1.00 0.00 H new ATOM 93 N ILE A 157 -11.405 1.491 -6.907 1.00 0.00 N ATOM 94 CA ILE A 157 -11.516 0.094 -7.276 1.00 0.00 C ATOM 95 C ILE A 157 -11.483 -0.791 -6.027 1.00 0.00 C ATOM 96 O ILE A 157 -10.749 -0.517 -5.062 1.00 0.00 O ATOM 97 CB ILE A 157 -10.398 -0.320 -8.288 1.00 0.00 C ATOM 98 CG1 ILE A 157 -10.454 0.557 -9.557 1.00 0.00 C ATOM 99 CG2 ILE A 157 -10.479 -1.802 -8.654 1.00 0.00 C ATOM 100 CD1 ILE A 157 -11.763 0.473 -10.332 1.00 0.00 C ATOM 0 H ILE A 157 -10.476 1.890 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 157 -12.475 -0.049 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 157 -9.440 -0.157 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -10.282 1.595 -9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -9.637 0.268 -10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -9.684 -2.047 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -10.364 -2.406 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -11.446 -2.012 -9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -11.710 1.122 -11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -11.931 -0.555 -10.652 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -12.586 0.792 -9.692 1.00 0.00 H new ATOM 112 N ASP A 158 -12.320 -1.803 -6.018 1.00 0.00 N ATOM 113 CA ASP A 158 -12.371 -2.741 -4.920 1.00 0.00 C ATOM 114 C ASP A 158 -11.253 -3.740 -5.007 1.00 0.00 C ATOM 115 O ASP A 158 -11.379 -4.795 -5.633 1.00 0.00 O ATOM 116 CB ASP A 158 -13.720 -3.457 -4.805 1.00 0.00 C ATOM 117 CG ASP A 158 -14.819 -2.571 -4.286 1.00 0.00 C ATOM 118 OD1 ASP A 158 -15.470 -1.871 -5.076 1.00 0.00 O ATOM 119 OD2 ASP A 158 -15.076 -2.572 -3.070 1.00 0.00 O ATOM 0 H ASP A 158 -12.982 -1.999 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 158 -12.247 -2.150 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -14.004 -3.842 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -13.612 -4.317 -4.144 1.00 0.00 H new ATOM 124 N LEU A 159 -10.156 -3.390 -4.399 1.00 0.00 N ATOM 125 CA LEU A 159 -8.966 -4.223 -4.334 1.00 0.00 C ATOM 126 C LEU A 159 -9.246 -5.395 -3.381 1.00 0.00 C ATOM 127 O LEU A 159 -8.656 -6.461 -3.478 1.00 0.00 O ATOM 128 CB LEU A 159 -7.790 -3.326 -3.861 1.00 0.00 C ATOM 129 CG LEU A 159 -6.352 -3.894 -3.872 1.00 0.00 C ATOM 130 CD1 LEU A 159 -5.377 -2.740 -3.821 1.00 0.00 C ATOM 131 CD2 LEU A 159 -6.090 -4.800 -2.671 1.00 0.00 C ATOM 0 H LEU A 159 -10.051 -2.496 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.699 -4.649 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -7.793 -2.429 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.009 -3.010 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 159 -6.227 -4.484 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -4.357 -3.125 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.528 -2.097 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.541 -2.165 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -5.069 -5.178 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -6.226 -4.232 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -6.788 -5.637 -2.688 1.00 0.00 H new ATOM 143 N PHE A 160 -10.202 -5.164 -2.498 1.00 0.00 N ATOM 144 CA PHE A 160 -10.675 -6.126 -1.513 1.00 0.00 C ATOM 145 C PHE A 160 -11.331 -7.339 -2.216 1.00 0.00 C ATOM 146 O PHE A 160 -11.369 -8.442 -1.663 1.00 0.00 O ATOM 147 CB PHE A 160 -11.684 -5.399 -0.599 1.00 0.00 C ATOM 148 CG PHE A 160 -12.179 -6.147 0.612 1.00 0.00 C ATOM 149 CD1 PHE A 160 -11.429 -6.173 1.773 1.00 0.00 C ATOM 150 CD2 PHE A 160 -13.408 -6.785 0.600 1.00 0.00 C ATOM 151 CE1 PHE A 160 -11.890 -6.828 2.899 1.00 0.00 C ATOM 152 CE2 PHE A 160 -13.877 -7.436 1.722 1.00 0.00 C ATOM 153 CZ PHE A 160 -13.116 -7.458 2.872 1.00 0.00 C ATOM 0 H PHE A 160 -10.689 -4.269 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 160 -9.845 -6.510 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -11.224 -4.471 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -12.549 -5.123 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.471 -5.675 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -14.007 -6.773 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -11.291 -6.846 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -14.838 -7.928 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 160 -13.480 -7.969 3.751 1.00 0.00 H new ATOM 163 N GLY A 161 -11.818 -7.120 -3.435 1.00 0.00 N ATOM 164 CA GLY A 161 -12.456 -8.169 -4.203 1.00 0.00 C ATOM 165 C GLY A 161 -13.953 -8.027 -4.174 1.00 0.00 C ATOM 166 O GLY A 161 -14.468 -6.985 -3.752 1.00 0.00 O ATOM 0 H GLY A 161 -11.779 -6.217 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -12.104 -8.134 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -12.172 -9.142 -3.802 1.00 0.00 H new ATOM 170 N SER A 162 -14.665 -9.037 -4.631 1.00 0.00 N ATOM 171 CA SER A 162 -16.114 -9.013 -4.570 1.00 0.00 C ATOM 172 C SER A 162 -16.569 -9.592 -3.233 1.00 0.00 C ATOM 173 O SER A 162 -17.530 -9.119 -2.611 1.00 0.00 O ATOM 174 CB SER A 162 -16.700 -9.810 -5.725 1.00 0.00 C ATOM 175 OG SER A 162 -16.236 -9.307 -6.978 1.00 0.00 O ATOM 0 H SER A 162 -14.268 -9.880 -5.046 1.00 0.00 H new ATOM 0 HA SER A 162 -16.467 -7.985 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 162 -16.424 -10.860 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 162 -17.788 -9.762 -5.690 1.00 0.00 H new ATOM 0 HG SER A 162 -16.624 -9.835 -7.707 1.00 0.00 H new ATOM 181 N ASP A 163 -15.851 -10.595 -2.788 1.00 0.00 N ATOM 182 CA ASP A 163 -16.111 -11.233 -1.514 1.00 0.00 C ATOM 183 C ASP A 163 -15.017 -10.821 -0.594 1.00 0.00 C ATOM 184 O ASP A 163 -15.263 -10.172 0.423 1.00 0.00 O ATOM 185 CB ASP A 163 -16.067 -12.747 -1.646 1.00 0.00 C ATOM 186 CG ASP A 163 -16.308 -13.459 -0.342 1.00 0.00 C ATOM 187 OD1 ASP A 163 -17.467 -13.757 -0.021 1.00 0.00 O ATOM 188 OD2 ASP A 163 -15.327 -13.755 0.366 1.00 0.00 O ATOM 0 H ASP A 163 -15.065 -10.996 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 163 -17.097 -10.942 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.816 -13.065 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -15.095 -13.044 -2.041 1.00 0.00 H new ATOM 193 N ASN A 164 -13.801 -11.204 -1.021 1.00 0.00 N ATOM 194 CA ASN A 164 -12.503 -10.950 -0.389 1.00 0.00 C ATOM 195 C ASN A 164 -11.627 -12.140 -0.604 1.00 0.00 C ATOM 196 O ASN A 164 -10.471 -12.014 -0.959 1.00 0.00 O ATOM 197 CB ASN A 164 -12.542 -10.665 1.109 1.00 0.00 C ATOM 198 CG ASN A 164 -11.190 -10.241 1.676 1.00 0.00 C ATOM 199 OD1 ASN A 164 -10.876 -10.536 2.824 1.00 0.00 O ATOM 200 ND2 ASN A 164 -10.394 -9.526 0.896 1.00 0.00 N ATOM 0 H ASN A 164 -13.697 -11.740 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 164 -12.127 -10.042 -0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -13.273 -9.880 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -12.885 -11.557 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -9.491 -9.205 1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -10.683 -9.297 -0.055 1.00 0.00 H new ATOM 207 N GLU A 165 -12.200 -13.310 -0.433 1.00 0.00 N ATOM 208 CA GLU A 165 -11.429 -14.539 -0.498 1.00 0.00 C ATOM 209 C GLU A 165 -11.244 -14.994 -1.911 1.00 0.00 C ATOM 210 O GLU A 165 -10.358 -15.794 -2.215 1.00 0.00 O ATOM 211 CB GLU A 165 -12.045 -15.636 0.345 1.00 0.00 C ATOM 212 CG GLU A 165 -12.065 -15.324 1.821 1.00 0.00 C ATOM 213 CD GLU A 165 -12.601 -16.460 2.640 1.00 0.00 C ATOM 214 OE1 GLU A 165 -11.835 -17.401 2.950 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.802 -16.443 2.995 1.00 0.00 O ATOM 0 H GLU A 165 -13.195 -13.440 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.445 -14.319 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -13.066 -15.814 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.490 -16.561 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -11.054 -15.086 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.674 -14.437 1.993 1.00 0.00 H new ATOM 222 N GLU A 166 -12.052 -14.474 -2.778 1.00 0.00 N ATOM 223 CA GLU A 166 -11.965 -14.806 -4.148 1.00 0.00 C ATOM 224 C GLU A 166 -10.846 -14.050 -4.853 1.00 0.00 C ATOM 225 O GLU A 166 -10.044 -14.654 -5.560 1.00 0.00 O ATOM 226 CB GLU A 166 -13.337 -14.736 -4.828 1.00 0.00 C ATOM 227 CG GLU A 166 -14.236 -13.577 -4.440 1.00 0.00 C ATOM 228 CD GLU A 166 -13.692 -12.214 -4.616 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.847 -11.620 -5.682 1.00 0.00 O ATOM 230 OE2 GLU A 166 -13.140 -11.694 -3.642 1.00 0.00 O ATOM 0 H GLU A 166 -12.789 -13.807 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.666 -15.851 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.180 -14.698 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -13.869 -15.664 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -15.155 -13.652 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -14.511 -13.699 -3.392 1.00 0.00 H new ATOM 237 N GLU A 167 -10.772 -12.751 -4.638 1.00 0.00 N ATOM 238 CA GLU A 167 -9.693 -11.950 -5.213 1.00 0.00 C ATOM 239 C GLU A 167 -8.430 -12.000 -4.322 1.00 0.00 C ATOM 240 O GLU A 167 -7.376 -11.427 -4.661 1.00 0.00 O ATOM 241 CB GLU A 167 -10.110 -10.511 -5.441 1.00 0.00 C ATOM 242 CG GLU A 167 -9.266 -9.842 -6.514 1.00 0.00 C ATOM 243 CD GLU A 167 -9.661 -10.270 -7.915 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.647 -9.715 -8.461 1.00 0.00 O ATOM 245 OE2 GLU A 167 -9.024 -11.191 -8.493 1.00 0.00 O ATOM 0 H GLU A 167 -11.439 -12.224 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.460 -12.388 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -11.160 -10.479 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.020 -9.954 -4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -9.364 -8.760 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.216 -10.081 -6.347 1.00 0.00 H new ATOM 252 N ASP A 168 -8.534 -12.723 -3.203 1.00 0.00 N ATOM 253 CA ASP A 168 -7.431 -12.906 -2.216 1.00 0.00 C ATOM 254 C ASP A 168 -6.161 -13.430 -2.893 1.00 0.00 C ATOM 255 O ASP A 168 -5.041 -13.180 -2.435 1.00 0.00 O ATOM 256 CB ASP A 168 -7.884 -13.850 -1.108 1.00 0.00 C ATOM 257 CG ASP A 168 -6.867 -14.044 -0.017 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.594 -13.094 0.728 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.379 -15.169 0.161 1.00 0.00 O ATOM 0 H ASP A 168 -9.391 -13.209 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 168 -7.191 -11.936 -1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.804 -13.464 -0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.122 -14.820 -1.545 1.00 0.00 H new ATOM 264 N LYS A 169 -6.376 -14.124 -4.013 1.00 0.00 N ATOM 265 CA LYS A 169 -5.324 -14.580 -4.924 1.00 0.00 C ATOM 266 C LYS A 169 -4.282 -13.475 -5.169 1.00 0.00 C ATOM 267 O LYS A 169 -3.123 -13.646 -4.851 1.00 0.00 O ATOM 268 CB LYS A 169 -5.958 -14.975 -6.279 1.00 0.00 C ATOM 269 CG LYS A 169 -7.185 -14.121 -6.611 1.00 0.00 C ATOM 270 CD LYS A 169 -7.464 -13.914 -8.076 1.00 0.00 C ATOM 271 CE LYS A 169 -6.364 -13.132 -8.744 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.811 -12.552 -10.018 1.00 0.00 N ATOM 0 H LYS A 169 -7.311 -14.391 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.826 -15.436 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.217 -14.867 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.245 -16.026 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.060 -14.585 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.062 -13.144 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.573 -14.881 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.411 -13.387 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -6.027 -12.336 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.508 -13.784 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.117 -11.848 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.899 -13.305 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.734 -12.092 -9.885 1.00 0.00 H new ATOM 286 N GLU A 170 -4.724 -12.309 -5.645 1.00 0.00 N ATOM 287 CA GLU A 170 -3.805 -11.239 -5.967 1.00 0.00 C ATOM 288 C GLU A 170 -3.388 -10.432 -4.802 1.00 0.00 C ATOM 289 O GLU A 170 -2.360 -9.791 -4.855 1.00 0.00 O ATOM 290 CB GLU A 170 -4.207 -10.394 -7.159 1.00 0.00 C ATOM 291 CG GLU A 170 -3.606 -10.927 -8.440 1.00 0.00 C ATOM 292 CD GLU A 170 -4.085 -10.236 -9.689 1.00 0.00 C ATOM 293 OE1 GLU A 170 -3.719 -9.077 -9.921 1.00 0.00 O ATOM 294 OE2 GLU A 170 -4.815 -10.871 -10.489 1.00 0.00 O ATOM 0 H GLU A 170 -5.707 -12.092 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.909 -11.767 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.293 -10.376 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.883 -9.365 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.521 -10.836 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.833 -11.990 -8.518 1.00 0.00 H new ATOM 301 N ALA A 171 -4.162 -10.468 -3.741 1.00 0.00 N ATOM 302 CA ALA A 171 -3.760 -9.805 -2.527 1.00 0.00 C ATOM 303 C ALA A 171 -2.425 -10.406 -2.087 1.00 0.00 C ATOM 304 O ALA A 171 -1.448 -9.689 -1.861 1.00 0.00 O ATOM 305 CB ALA A 171 -4.818 -9.974 -1.448 1.00 0.00 C ATOM 0 H ALA A 171 -5.063 -10.944 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.647 -8.735 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.495 -9.466 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.759 -9.543 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.959 -11.035 -1.240 1.00 0.00 H new ATOM 311 N ALA A 172 -2.383 -11.730 -2.098 1.00 0.00 N ATOM 312 CA ALA A 172 -1.218 -12.487 -1.739 1.00 0.00 C ATOM 313 C ALA A 172 -0.184 -12.521 -2.875 1.00 0.00 C ATOM 314 O ALA A 172 0.981 -12.285 -2.635 1.00 0.00 O ATOM 315 CB ALA A 172 -1.618 -13.893 -1.342 1.00 0.00 C ATOM 0 H ALA A 172 -3.179 -12.309 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.747 -11.993 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.728 -14.462 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.296 -13.851 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.118 -14.379 -2.180 1.00 0.00 H new ATOM 321 N GLN A 173 -0.622 -12.821 -4.104 1.00 0.00 N ATOM 322 CA GLN A 173 0.278 -12.898 -5.268 1.00 0.00 C ATOM 323 C GLN A 173 1.029 -11.625 -5.550 1.00 0.00 C ATOM 324 O GLN A 173 2.247 -11.640 -5.621 1.00 0.00 O ATOM 325 CB GLN A 173 -0.447 -13.343 -6.490 1.00 0.00 C ATOM 326 CG GLN A 173 -0.709 -14.821 -6.494 1.00 0.00 C ATOM 327 CD GLN A 173 -1.478 -15.250 -7.689 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.287 -14.498 -8.228 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.222 -16.427 -8.141 1.00 0.00 N ATOM 0 H GLN A 173 -1.599 -13.016 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 173 1.024 -13.645 -4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.394 -12.809 -6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.136 -13.078 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 173 0.240 -15.357 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.259 -15.093 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.543 -17.020 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -1.698 -16.767 -8.977 1.00 0.00 H new ATOM 338 N LEU A 174 0.318 -10.521 -5.712 1.00 0.00 N ATOM 339 CA LEU A 174 0.976 -9.232 -5.937 1.00 0.00 C ATOM 340 C LEU A 174 1.938 -8.948 -4.810 1.00 0.00 C ATOM 341 O LEU A 174 3.083 -8.587 -5.051 1.00 0.00 O ATOM 342 CB LEU A 174 -0.043 -8.122 -6.044 1.00 0.00 C ATOM 343 CG LEU A 174 -1.044 -8.276 -7.177 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.085 -7.168 -7.127 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.347 -8.296 -8.532 1.00 0.00 C ATOM 0 H LEU A 174 -0.701 -10.484 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 174 1.526 -9.281 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.589 -8.059 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.484 -7.176 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.550 -9.233 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.792 -7.296 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.618 -7.212 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.592 -6.201 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -1.090 -8.407 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.197 -7.363 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.351 -9.132 -8.570 1.00 0.00 H new ATOM 357 N ARG A 175 1.459 -9.160 -3.593 1.00 0.00 N ATOM 358 CA ARG A 175 2.272 -9.032 -2.378 1.00 0.00 C ATOM 359 C ARG A 175 3.578 -9.851 -2.463 1.00 0.00 C ATOM 360 O ARG A 175 4.682 -9.301 -2.315 1.00 0.00 O ATOM 361 CB ARG A 175 1.465 -9.508 -1.166 1.00 0.00 C ATOM 362 CG ARG A 175 2.281 -9.702 0.093 1.00 0.00 C ATOM 363 CD ARG A 175 1.494 -10.438 1.142 1.00 0.00 C ATOM 364 NE ARG A 175 2.341 -10.803 2.284 1.00 0.00 N ATOM 365 CZ ARG A 175 2.007 -11.679 3.247 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.796 -12.236 3.266 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.890 -11.995 4.191 1.00 0.00 N ATOM 0 H ARG A 175 0.491 -9.427 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 175 2.538 -7.980 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.675 -8.784 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.978 -10.450 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.189 -10.258 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.592 -8.732 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.667 -9.815 1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.057 -11.337 0.708 1.00 0.00 H new ATOM 0 HE ARG A 175 3.256 -10.356 2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.114 -11.998 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.551 -12.900 4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.818 -11.573 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.638 -12.660 4.923 1.00 0.00 H new ATOM 381 N GLU A 176 3.441 -11.147 -2.725 1.00 0.00 N ATOM 382 CA GLU A 176 4.564 -12.063 -2.732 1.00 0.00 C ATOM 383 C GLU A 176 5.552 -11.712 -3.834 1.00 0.00 C ATOM 384 O GLU A 176 6.763 -11.724 -3.626 1.00 0.00 O ATOM 385 CB GLU A 176 4.076 -13.550 -2.771 1.00 0.00 C ATOM 386 CG GLU A 176 3.411 -14.043 -4.071 1.00 0.00 C ATOM 387 CD GLU A 176 4.364 -14.774 -4.987 1.00 0.00 C ATOM 388 OE1 GLU A 176 5.538 -14.456 -4.992 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.950 -15.730 -5.685 1.00 0.00 O ATOM 0 H GLU A 176 2.546 -11.587 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 176 5.113 -11.954 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 176 4.933 -14.192 -2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.368 -13.694 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.581 -14.703 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 176 2.990 -13.190 -4.602 1.00 0.00 H new ATOM 396 N GLU A 177 5.035 -11.329 -4.978 1.00 0.00 N ATOM 397 CA GLU A 177 5.877 -10.958 -6.087 1.00 0.00 C ATOM 398 C GLU A 177 6.602 -9.643 -5.823 1.00 0.00 C ATOM 399 O GLU A 177 7.758 -9.478 -6.220 1.00 0.00 O ATOM 400 CB GLU A 177 5.101 -10.923 -7.382 1.00 0.00 C ATOM 401 CG GLU A 177 4.521 -12.272 -7.758 1.00 0.00 C ATOM 402 CD GLU A 177 3.871 -12.251 -9.102 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.678 -11.901 -9.206 1.00 0.00 O ATOM 404 OE2 GLU A 177 4.545 -12.568 -10.101 1.00 0.00 O ATOM 0 H GLU A 177 4.034 -11.267 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 177 6.641 -11.729 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.293 -10.197 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.755 -10.578 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.313 -13.021 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.790 -12.574 -7.007 1.00 0.00 H new ATOM 411 N ARG A 178 5.948 -8.733 -5.107 1.00 0.00 N ATOM 412 CA ARG A 178 6.571 -7.461 -4.729 1.00 0.00 C ATOM 413 C ARG A 178 7.759 -7.714 -3.817 1.00 0.00 C ATOM 414 O ARG A 178 8.832 -7.125 -3.998 1.00 0.00 O ATOM 415 CB ARG A 178 5.575 -6.506 -4.039 1.00 0.00 C ATOM 416 CG ARG A 178 4.514 -5.941 -4.961 1.00 0.00 C ATOM 417 CD ARG A 178 3.469 -5.131 -4.207 1.00 0.00 C ATOM 418 NE ARG A 178 2.446 -4.597 -5.118 1.00 0.00 N ATOM 419 CZ ARG A 178 1.229 -4.139 -4.759 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.834 -4.204 -3.489 1.00 0.00 N ATOM 421 NH2 ARG A 178 0.408 -3.630 -5.687 1.00 0.00 N ATOM 0 H ARG A 178 4.990 -8.849 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 178 6.906 -6.978 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.085 -7.038 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.130 -5.680 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 178 4.987 -5.310 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.025 -6.757 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.995 -5.758 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.954 -4.309 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 178 2.677 -4.570 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.453 -4.602 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -0.087 -3.856 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 178 0.704 -3.589 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.513 -3.283 -5.418 1.00 0.00 H new ATOM 435 N LEU A 179 7.591 -8.617 -2.869 1.00 0.00 N ATOM 436 CA LEU A 179 8.664 -8.930 -1.952 1.00 0.00 C ATOM 437 C LEU A 179 9.778 -9.750 -2.623 1.00 0.00 C ATOM 438 O LEU A 179 10.920 -9.751 -2.143 1.00 0.00 O ATOM 439 CB LEU A 179 8.154 -9.511 -0.601 1.00 0.00 C ATOM 440 CG LEU A 179 7.340 -10.813 -0.622 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.228 -12.041 -0.764 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.458 -10.918 0.610 1.00 0.00 C ATOM 0 H LEU A 179 6.729 -9.141 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 179 9.136 -7.987 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.022 -9.673 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.543 -8.746 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 179 6.699 -10.779 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.609 -12.938 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.790 -11.978 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.921 -12.088 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.891 -11.848 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.080 -10.907 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.769 -10.074 0.637 1.00 0.00 H new ATOM 454 N ARG A 180 9.450 -10.434 -3.742 1.00 0.00 N ATOM 455 CA ARG A 180 10.485 -11.107 -4.545 1.00 0.00 C ATOM 456 C ARG A 180 11.404 -10.055 -5.117 1.00 0.00 C ATOM 457 O ARG A 180 12.604 -10.158 -5.007 1.00 0.00 O ATOM 458 CB ARG A 180 9.929 -11.902 -5.739 1.00 0.00 C ATOM 459 CG ARG A 180 8.997 -13.046 -5.431 1.00 0.00 C ATOM 460 CD ARG A 180 8.655 -13.787 -6.716 1.00 0.00 C ATOM 461 NE ARG A 180 7.570 -14.744 -6.536 1.00 0.00 N ATOM 462 CZ ARG A 180 7.439 -15.916 -7.144 1.00 0.00 C ATOM 463 NH1 ARG A 180 8.432 -16.414 -7.886 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.308 -16.612 -6.981 1.00 0.00 N ATOM 0 H ARG A 180 8.500 -10.532 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 180 10.985 -11.807 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.405 -11.206 -6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.773 -12.297 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.464 -13.727 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.087 -12.671 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.376 -13.066 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.541 -14.310 -7.077 1.00 0.00 H new ATOM 0 HE ARG A 180 6.837 -14.486 -5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 180 9.302 -15.892 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 180 8.320 -17.316 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 180 5.560 -16.240 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 180 6.194 -17.514 -7.442 1.00 0.00 H new ATOM 478 N GLN A 181 10.798 -9.016 -5.706 1.00 0.00 N ATOM 479 CA GLN A 181 11.533 -7.900 -6.331 1.00 0.00 C ATOM 480 C GLN A 181 12.481 -7.275 -5.314 1.00 0.00 C ATOM 481 O GLN A 181 13.643 -6.992 -5.604 1.00 0.00 O ATOM 482 CB GLN A 181 10.549 -6.837 -6.830 1.00 0.00 C ATOM 483 CG GLN A 181 9.497 -7.371 -7.790 1.00 0.00 C ATOM 484 CD GLN A 181 8.480 -6.321 -8.195 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.180 -5.391 -7.439 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.931 -6.464 -9.368 1.00 0.00 N ATOM 0 H GLN A 181 9.784 -8.922 -5.765 1.00 0.00 H new ATOM 0 HA GLN A 181 12.105 -8.283 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.049 -6.388 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.108 -6.043 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.989 -7.756 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 181 8.980 -8.210 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 181 8.203 -7.244 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.230 -5.796 -9.688 1.00 0.00 H new ATOM 495 N TYR A 182 11.967 -7.110 -4.120 1.00 0.00 N ATOM 496 CA TYR A 182 12.708 -6.571 -3.002 1.00 0.00 C ATOM 497 C TYR A 182 13.914 -7.471 -2.689 1.00 0.00 C ATOM 498 O TYR A 182 15.050 -7.013 -2.645 1.00 0.00 O ATOM 499 CB TYR A 182 11.762 -6.486 -1.797 1.00 0.00 C ATOM 500 CG TYR A 182 12.347 -5.908 -0.533 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.418 -4.535 -0.344 1.00 0.00 C ATOM 502 CD2 TYR A 182 12.796 -6.737 0.486 1.00 0.00 C ATOM 503 CE1 TYR A 182 12.911 -4.004 0.828 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.296 -6.216 1.654 1.00 0.00 C ATOM 505 CZ TYR A 182 13.353 -4.849 1.820 1.00 0.00 C ATOM 506 OH TYR A 182 13.833 -4.329 2.999 1.00 0.00 O ATOM 0 H TYR A 182 11.003 -7.351 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 182 13.087 -5.577 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.898 -5.885 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.395 -7.489 -1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.082 -3.872 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.751 -7.808 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 182 12.950 -2.934 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 182 13.642 -6.873 2.438 1.00 0.00 H new ATOM 0 HH TYR A 182 14.103 -5.060 3.593 1.00 0.00 H new ATOM 516 N ALA A 183 13.654 -8.751 -2.527 1.00 0.00 N ATOM 517 CA ALA A 183 14.683 -9.730 -2.206 1.00 0.00 C ATOM 518 C ALA A 183 15.719 -9.868 -3.333 1.00 0.00 C ATOM 519 O ALA A 183 16.932 -9.877 -3.081 1.00 0.00 O ATOM 520 CB ALA A 183 14.041 -11.077 -1.911 1.00 0.00 C ATOM 0 H ALA A 183 12.719 -9.149 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 183 15.213 -9.377 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.816 -11.805 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.362 -10.979 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.484 -11.414 -2.785 1.00 0.00 H new ATOM 526 N GLU A 184 15.240 -9.949 -4.558 1.00 0.00 N ATOM 527 CA GLU A 184 16.087 -10.151 -5.715 1.00 0.00 C ATOM 528 C GLU A 184 16.944 -8.948 -6.055 1.00 0.00 C ATOM 529 O GLU A 184 18.042 -9.114 -6.552 1.00 0.00 O ATOM 530 CB GLU A 184 15.290 -10.601 -6.927 1.00 0.00 C ATOM 531 CG GLU A 184 14.652 -11.964 -6.757 1.00 0.00 C ATOM 532 CD GLU A 184 13.862 -12.379 -7.962 1.00 0.00 C ATOM 533 OE1 GLU A 184 12.692 -11.977 -8.095 1.00 0.00 O ATOM 534 OE2 GLU A 184 14.404 -13.102 -8.827 1.00 0.00 O ATOM 0 H GLU A 184 14.247 -9.876 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 184 16.771 -10.952 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.511 -9.867 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.947 -10.622 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.428 -12.704 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.999 -11.950 -5.885 1.00 0.00 H new ATOM 541 N LYS A 185 16.472 -7.742 -5.802 1.00 0.00 N ATOM 542 CA LYS A 185 17.298 -6.571 -6.096 1.00 0.00 C ATOM 543 C LYS A 185 18.388 -6.384 -5.063 1.00 0.00 C ATOM 544 O LYS A 185 19.420 -5.771 -5.333 1.00 0.00 O ATOM 545 CB LYS A 185 16.496 -5.285 -6.268 1.00 0.00 C ATOM 546 CG LYS A 185 15.548 -5.298 -7.454 1.00 0.00 C ATOM 547 CD LYS A 185 14.978 -3.919 -7.739 1.00 0.00 C ATOM 548 CE LYS A 185 16.043 -2.960 -8.301 1.00 0.00 C ATOM 549 NZ LYS A 185 16.620 -3.439 -9.589 1.00 0.00 N ATOM 0 H LYS A 185 15.553 -7.543 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 185 17.761 -6.779 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.921 -5.104 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 185 17.188 -4.450 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 185 16.075 -5.662 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.733 -5.995 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 185 14.157 -4.006 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.562 -3.502 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 185 15.599 -1.976 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 185 16.843 -2.842 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 17.131 -2.660 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 17.277 -4.224 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 15.854 -3.768 -10.211 1.00 0.00 H new ATOM 563 N LYS A 186 18.156 -6.904 -3.886 1.00 0.00 N ATOM 564 CA LYS A 186 19.137 -6.832 -2.823 1.00 0.00 C ATOM 565 C LYS A 186 20.146 -7.961 -2.943 1.00 0.00 C ATOM 566 O LYS A 186 21.302 -7.828 -2.520 1.00 0.00 O ATOM 567 CB LYS A 186 18.472 -6.798 -1.431 1.00 0.00 C ATOM 568 CG LYS A 186 17.959 -5.410 -0.982 1.00 0.00 C ATOM 569 CD LYS A 186 16.986 -4.785 -1.978 1.00 0.00 C ATOM 570 CE LYS A 186 16.439 -3.452 -1.506 1.00 0.00 C ATOM 571 NZ LYS A 186 17.481 -2.411 -1.373 1.00 0.00 N ATOM 0 H LYS A 186 17.293 -7.385 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 186 19.678 -5.892 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.635 -7.496 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 186 19.189 -7.159 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.468 -5.506 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 186 18.809 -4.742 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 186 17.490 -4.648 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 186 16.158 -5.472 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 186 15.679 -3.109 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.946 -3.589 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 17.036 -1.503 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 18.148 -2.681 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.993 -2.315 -2.273 1.00 0.00 H new ATOM 585 N ALA A 187 19.712 -9.058 -3.530 1.00 0.00 N ATOM 586 CA ALA A 187 20.580 -10.188 -3.769 1.00 0.00 C ATOM 587 C ALA A 187 21.349 -9.992 -5.063 1.00 0.00 C ATOM 588 O ALA A 187 22.580 -10.022 -5.080 1.00 0.00 O ATOM 589 CB ALA A 187 19.779 -11.477 -3.815 1.00 0.00 C ATOM 0 H ALA A 187 18.753 -9.189 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 187 21.292 -10.259 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.450 -12.316 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.266 -11.621 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.044 -11.420 -4.618 1.00 0.00 H new ATOM 595 N LYS A 188 20.635 -9.761 -6.145 1.00 0.00 N ATOM 596 CA LYS A 188 21.266 -9.551 -7.420 1.00 0.00 C ATOM 597 C LYS A 188 21.555 -8.083 -7.619 1.00 0.00 C ATOM 598 O LYS A 188 20.800 -7.351 -8.282 1.00 0.00 O ATOM 599 CB LYS A 188 20.457 -10.105 -8.601 1.00 0.00 C ATOM 600 CG LYS A 188 20.239 -11.606 -8.585 1.00 0.00 C ATOM 601 CD LYS A 188 19.592 -12.060 -9.886 1.00 0.00 C ATOM 602 CE LYS A 188 19.374 -13.568 -9.932 1.00 0.00 C ATOM 603 NZ LYS A 188 18.351 -14.025 -8.978 1.00 0.00 N ATOM 0 H LYS A 188 19.616 -9.715 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 188 22.200 -10.113 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.485 -9.613 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.966 -9.837 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 188 21.192 -12.117 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.605 -11.879 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.635 -11.553 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.221 -11.761 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.079 -13.857 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 188 20.316 -14.073 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 18.219 -15.052 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 18.658 -13.806 -8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 17.452 -13.541 -9.175 1.00 0.00 H new ATOM 617 N LYS A 189 22.582 -7.641 -6.973 1.00 0.00 N ATOM 618 CA LYS A 189 23.031 -6.304 -7.103 1.00 0.00 C ATOM 619 C LYS A 189 24.188 -6.383 -8.074 1.00 0.00 C ATOM 620 O LYS A 189 25.130 -7.142 -7.832 1.00 0.00 O ATOM 621 CB LYS A 189 23.519 -5.800 -5.759 1.00 0.00 C ATOM 622 CG LYS A 189 23.286 -4.318 -5.461 1.00 0.00 C ATOM 623 CD LYS A 189 24.189 -3.389 -6.252 1.00 0.00 C ATOM 624 CE LYS A 189 23.939 -1.935 -5.865 1.00 0.00 C ATOM 625 NZ LYS A 189 22.551 -1.493 -6.151 1.00 0.00 N ATOM 0 H LYS A 189 23.137 -8.209 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 189 22.247 -5.628 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 189 23.034 -6.386 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 189 24.588 -5.998 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.246 -4.072 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 189 23.440 -4.142 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 189 25.233 -3.645 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 189 24.011 -3.522 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 189 24.144 -1.806 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 189 24.637 -1.295 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 22.491 -0.459 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.290 -1.774 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 21.899 -1.937 -5.473 1.00 0.00 H new ATOM 639 N PRO A 190 24.096 -5.686 -9.199 1.00 0.00 N ATOM 640 CA PRO A 190 25.113 -5.698 -10.252 1.00 0.00 C ATOM 641 C PRO A 190 26.480 -5.224 -9.775 1.00 0.00 C ATOM 642 O PRO A 190 26.812 -4.033 -9.849 1.00 0.00 O ATOM 643 CB PRO A 190 24.574 -4.754 -11.332 1.00 0.00 C ATOM 644 CG PRO A 190 23.143 -4.533 -10.997 1.00 0.00 C ATOM 645 CD PRO A 190 22.975 -4.839 -9.532 1.00 0.00 C ATOM 0 HA PRO A 190 25.275 -6.715 -10.608 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.124 -3.813 -11.339 1.00 0.00 H new ATOM 0 HB3 PRO A 190 24.680 -5.193 -12.324 1.00 0.00 H new ATOM 0 HG2 PRO A 190 22.852 -3.504 -11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 190 22.503 -5.177 -11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 190 22.978 -3.927 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 190 22.028 -5.343 -9.340 1.00 0.00 H new ATOM 653 N ALA A 191 27.249 -6.145 -9.249 1.00 0.00 N ATOM 654 CA ALA A 191 28.576 -5.871 -8.790 1.00 0.00 C ATOM 655 C ALA A 191 29.513 -5.925 -9.974 1.00 0.00 C ATOM 656 O ALA A 191 30.225 -6.918 -10.197 1.00 0.00 O ATOM 657 CB ALA A 191 28.992 -6.848 -7.694 1.00 0.00 C ATOM 0 H ALA A 191 26.962 -7.116 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 191 28.616 -4.876 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 191 30.005 -6.616 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 191 28.307 -6.762 -6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 191 28.962 -7.866 -8.083 1.00 0.00 H new ATOM 663 N LEU A 192 29.435 -4.907 -10.760 1.00 0.00 N ATOM 664 CA LEU A 192 30.173 -4.770 -11.970 1.00 0.00 C ATOM 665 C LEU A 192 30.761 -3.390 -11.971 1.00 0.00 C ATOM 666 O LEU A 192 29.998 -2.420 -12.142 1.00 0.00 O ATOM 667 CB LEU A 192 29.245 -4.952 -13.190 1.00 0.00 C ATOM 668 CG LEU A 192 28.510 -6.303 -13.310 1.00 0.00 C ATOM 669 CD1 LEU A 192 27.565 -6.297 -14.497 1.00 0.00 C ATOM 670 CD2 LEU A 192 29.499 -7.449 -13.440 1.00 0.00 C ATOM 671 OXT LEU A 192 31.975 -3.254 -11.750 1.00 0.00 O ATOM 0 H LEU A 192 28.827 -4.110 -10.569 1.00 0.00 H new ATOM 0 HA LEU A 192 30.954 -5.528 -12.033 1.00 0.00 H new ATOM 0 HB2 LEU A 192 28.497 -4.159 -13.169 1.00 0.00 H new ATOM 0 HB3 LEU A 192 29.838 -4.807 -14.093 1.00 0.00 H new ATOM 0 HG LEU A 192 27.929 -6.448 -12.399 1.00 0.00 H new ATOM 0 HD11 LEU A 192 27.057 -7.259 -14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 192 26.827 -5.505 -14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 192 28.131 -6.122 -15.412 1.00 0.00 H new ATOM 0 HD21 LEU A 192 28.956 -8.391 -13.523 1.00 0.00 H new ATOM 0 HD22 LEU A 192 30.110 -7.303 -14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 192 30.141 -7.477 -12.560 1.00 0.00 H new TER 683 LEU A 192