USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 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 USER MOD Single : A 162 SER OG : rot -79:sc= 1.36 USER MOD Single : A 164 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.51! X(o=-0.51!,f=-0.2) USER MOD Single : A 181 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -169:sc= -0.0108 (180deg=-0.146) USER MOD Single : A 186 LYS NZ :NH3+ 173:sc= -0.0172 (180deg=-0.0984) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -1.955 9.473 2.062 1.00 0.00 N ATOM 2 CA GLY A 149 -0.878 8.507 2.164 1.00 0.00 C ATOM 3 C GLY A 149 -1.371 7.151 1.770 1.00 0.00 C ATOM 4 O GLY A 149 -2.117 7.039 0.787 1.00 0.00 O ATOM 0 HA2 GLY A 149 -0.050 8.804 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -0.496 8.482 3.184 1.00 0.00 H new ATOM 10 N PRO A 150 -1.017 6.098 2.521 1.00 0.00 N ATOM 11 CA PRO A 150 -1.449 4.740 2.221 1.00 0.00 C ATOM 12 C PRO A 150 -2.947 4.572 2.441 1.00 0.00 C ATOM 13 O PRO A 150 -3.483 4.978 3.487 1.00 0.00 O ATOM 14 CB PRO A 150 -0.675 3.864 3.228 1.00 0.00 C ATOM 15 CG PRO A 150 0.370 4.753 3.813 1.00 0.00 C ATOM 16 CD PRO A 150 -0.175 6.143 3.729 1.00 0.00 C ATOM 0 HA PRO A 150 -1.257 4.476 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -1.338 3.477 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -0.225 3.003 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 150 0.581 4.479 4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 150 1.307 4.668 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -0.754 6.403 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 150 0.620 6.883 3.639 1.00 0.00 H new ATOM 24 N GLY A 151 -3.620 4.026 1.456 1.00 0.00 N ATOM 25 CA GLY A 151 -5.036 3.747 1.579 1.00 0.00 C ATOM 26 C GLY A 151 -5.224 2.401 2.227 1.00 0.00 C ATOM 27 O GLY A 151 -4.762 2.179 3.347 1.00 0.00 O ATOM 0 H GLY A 151 -3.212 3.765 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.520 4.521 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.507 3.759 0.596 1.00 0.00 H new ATOM 31 N SER A 152 -5.832 1.476 1.528 1.00 0.00 N ATOM 32 CA SER A 152 -5.957 0.112 2.017 1.00 0.00 C ATOM 33 C SER A 152 -4.657 -0.636 1.674 1.00 0.00 C ATOM 34 O SER A 152 -4.650 -1.645 0.995 1.00 0.00 O ATOM 35 CB SER A 152 -7.163 -0.561 1.364 1.00 0.00 C ATOM 36 OG SER A 152 -8.327 0.238 1.536 1.00 0.00 O ATOM 0 H SER A 152 -6.253 1.637 0.613 1.00 0.00 H new ATOM 0 HA SER A 152 -6.112 0.100 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 152 -6.972 -0.714 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 152 -7.321 -1.546 1.804 1.00 0.00 H new ATOM 0 HG SER A 152 -9.092 -0.203 1.112 1.00 0.00 H new ATOM 42 N GLU A 153 -3.568 -0.094 2.134 1.00 0.00 N ATOM 43 CA GLU A 153 -2.263 -0.617 1.826 1.00 0.00 C ATOM 44 C GLU A 153 -1.617 -1.232 3.038 1.00 0.00 C ATOM 45 O GLU A 153 -0.524 -1.798 2.952 1.00 0.00 O ATOM 46 CB GLU A 153 -1.400 0.491 1.266 1.00 0.00 C ATOM 47 CG GLU A 153 -1.893 1.016 -0.062 1.00 0.00 C ATOM 48 CD GLU A 153 -1.136 2.220 -0.500 1.00 0.00 C ATOM 49 OE1 GLU A 153 0.081 2.114 -0.760 1.00 0.00 O ATOM 50 OE2 GLU A 153 -1.733 3.312 -0.551 1.00 0.00 O ATOM 0 H GLU A 153 -3.557 0.728 2.737 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.370 -1.406 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.363 1.311 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -0.380 0.124 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.801 0.235 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.952 1.262 0.016 1.00 0.00 H new ATOM 57 N ASP A 154 -2.270 -1.108 4.170 1.00 0.00 N ATOM 58 CA ASP A 154 -1.736 -1.668 5.401 1.00 0.00 C ATOM 59 C ASP A 154 -2.715 -2.695 5.964 1.00 0.00 C ATOM 60 O ASP A 154 -2.327 -3.779 6.408 1.00 0.00 O ATOM 61 CB ASP A 154 -1.462 -0.563 6.421 1.00 0.00 C ATOM 62 CG ASP A 154 -0.595 -1.033 7.559 1.00 0.00 C ATOM 63 OD1 ASP A 154 -1.117 -1.530 8.573 1.00 0.00 O ATOM 64 OD2 ASP A 154 0.645 -0.913 7.457 1.00 0.00 O ATOM 0 H ASP A 154 -3.165 -0.629 4.270 1.00 0.00 H new ATOM 0 HA ASP A 154 -0.790 -2.164 5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -0.978 0.276 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.409 -0.195 6.817 1.00 0.00 H new ATOM 69 N ASP A 155 -3.994 -2.361 5.894 1.00 0.00 N ATOM 70 CA ASP A 155 -5.097 -3.244 6.341 1.00 0.00 C ATOM 71 C ASP A 155 -5.589 -4.112 5.161 1.00 0.00 C ATOM 72 O ASP A 155 -6.588 -4.825 5.239 1.00 0.00 O ATOM 73 CB ASP A 155 -6.242 -2.366 6.901 1.00 0.00 C ATOM 74 CG ASP A 155 -7.465 -3.136 7.375 1.00 0.00 C ATOM 75 OD1 ASP A 155 -7.379 -3.853 8.396 1.00 0.00 O ATOM 76 OD2 ASP A 155 -8.551 -2.983 6.767 1.00 0.00 O ATOM 0 H ASP A 155 -4.314 -1.466 5.525 1.00 0.00 H new ATOM 0 HA ASP A 155 -4.747 -3.915 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -5.856 -1.778 7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -6.551 -1.661 6.129 1.00 0.00 H new ATOM 81 N ASP A 156 -4.811 -4.113 4.116 1.00 0.00 N ATOM 82 CA ASP A 156 -5.101 -4.761 2.895 1.00 0.00 C ATOM 83 C ASP A 156 -3.789 -4.675 2.149 1.00 0.00 C ATOM 84 O ASP A 156 -2.750 -4.422 2.787 1.00 0.00 O ATOM 85 CB ASP A 156 -6.237 -4.044 2.140 1.00 0.00 C ATOM 86 CG ASP A 156 -6.773 -4.842 0.969 1.00 0.00 C ATOM 87 OD1 ASP A 156 -7.709 -5.652 1.155 1.00 0.00 O ATOM 88 OD2 ASP A 156 -6.257 -4.673 -0.138 1.00 0.00 O ATOM 0 H ASP A 156 -3.912 -3.632 4.106 1.00 0.00 H new ATOM 0 HA ASP A 156 -5.452 -5.785 3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -7.052 -3.838 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -5.874 -3.082 1.779 1.00 0.00 H new ATOM 93 N ILE A 157 -3.797 -4.812 0.878 1.00 0.00 N ATOM 94 CA ILE A 157 -2.587 -4.945 0.143 1.00 0.00 C ATOM 95 C ILE A 157 -2.486 -3.907 -0.947 1.00 0.00 C ATOM 96 O ILE A 157 -1.583 -3.058 -0.928 1.00 0.00 O ATOM 97 CB ILE A 157 -2.569 -6.348 -0.469 1.00 0.00 C ATOM 98 CG1 ILE A 157 -2.717 -7.403 0.654 1.00 0.00 C ATOM 99 CG2 ILE A 157 -1.303 -6.587 -1.316 1.00 0.00 C ATOM 100 CD1 ILE A 157 -1.483 -7.594 1.527 1.00 0.00 C ATOM 0 H ILE A 157 -4.644 -4.836 0.310 1.00 0.00 H new ATOM 0 HA ILE A 157 -1.737 -4.797 0.809 1.00 0.00 H new ATOM 0 HB ILE A 157 -3.414 -6.443 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.554 -7.117 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.974 -8.360 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -1.329 -7.594 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -1.265 -5.860 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -0.419 -6.477 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -1.686 -8.352 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -0.645 -7.914 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -1.234 -6.652 2.016 1.00 0.00 H new ATOM 112 N ASP A 158 -3.374 -3.967 -1.910 1.00 0.00 N ATOM 113 CA ASP A 158 -3.282 -3.061 -3.017 1.00 0.00 C ATOM 114 C ASP A 158 -4.652 -2.677 -3.513 1.00 0.00 C ATOM 115 O ASP A 158 -5.552 -3.508 -3.616 1.00 0.00 O ATOM 116 CB ASP A 158 -2.434 -3.654 -4.141 1.00 0.00 C ATOM 117 CG ASP A 158 -2.067 -2.635 -5.191 1.00 0.00 C ATOM 118 OD1 ASP A 158 -1.027 -1.944 -5.037 1.00 0.00 O ATOM 119 OD2 ASP A 158 -2.784 -2.502 -6.186 1.00 0.00 O ATOM 0 H ASP A 158 -4.154 -4.623 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 158 -2.786 -2.154 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -1.523 -4.079 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -2.980 -4.473 -4.610 1.00 0.00 H new ATOM 124 N LEU A 159 -4.792 -1.431 -3.817 1.00 0.00 N ATOM 125 CA LEU A 159 -6.049 -0.840 -4.277 1.00 0.00 C ATOM 126 C LEU A 159 -6.433 -1.228 -5.705 1.00 0.00 C ATOM 127 O LEU A 159 -7.537 -0.903 -6.151 1.00 0.00 O ATOM 128 CB LEU A 159 -6.011 0.684 -4.150 1.00 0.00 C ATOM 129 CG LEU A 159 -5.919 1.241 -2.733 1.00 0.00 C ATOM 130 CD1 LEU A 159 -5.770 2.745 -2.773 1.00 0.00 C ATOM 131 CD2 LEU A 159 -7.156 0.862 -1.937 1.00 0.00 C ATOM 0 H LEU A 159 -4.027 -0.759 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.819 -1.252 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -5.158 1.054 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.907 1.089 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.043 0.812 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -5.705 3.131 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -4.863 3.006 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -6.634 3.183 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -7.077 1.266 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -8.041 1.271 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -7.238 -0.224 -1.888 1.00 0.00 H new ATOM 143 N PHE A 160 -5.553 -1.909 -6.431 1.00 0.00 N ATOM 144 CA PHE A 160 -5.893 -2.317 -7.783 1.00 0.00 C ATOM 145 C PHE A 160 -6.790 -3.558 -7.732 1.00 0.00 C ATOM 146 O PHE A 160 -7.413 -3.935 -8.728 1.00 0.00 O ATOM 147 CB PHE A 160 -4.631 -2.566 -8.628 1.00 0.00 C ATOM 148 CG PHE A 160 -4.878 -2.686 -10.110 1.00 0.00 C ATOM 149 CD1 PHE A 160 -5.081 -1.551 -10.878 1.00 0.00 C ATOM 150 CD2 PHE A 160 -4.903 -3.921 -10.734 1.00 0.00 C ATOM 151 CE1 PHE A 160 -5.303 -1.647 -12.236 1.00 0.00 C ATOM 152 CE2 PHE A 160 -5.123 -4.022 -12.092 1.00 0.00 C ATOM 153 CZ PHE A 160 -5.324 -2.884 -12.843 1.00 0.00 C ATOM 0 H PHE A 160 -4.623 -2.183 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 160 -6.441 -1.509 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -3.928 -1.751 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -4.151 -3.480 -8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -5.065 -0.579 -10.408 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -4.748 -4.817 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -5.460 -0.754 -12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -5.138 -4.992 -12.566 1.00 0.00 H new ATOM 0 HZ PHE A 160 -5.498 -2.962 -13.906 1.00 0.00 H new ATOM 163 N GLY A 161 -6.854 -4.189 -6.569 1.00 0.00 N ATOM 164 CA GLY A 161 -7.756 -5.299 -6.387 1.00 0.00 C ATOM 165 C GLY A 161 -9.186 -4.791 -6.384 1.00 0.00 C ATOM 166 O GLY A 161 -9.438 -3.643 -5.968 1.00 0.00 O ATOM 0 H GLY A 161 -6.296 -3.949 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -7.619 -6.028 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.538 -5.809 -5.449 1.00 0.00 H new ATOM 170 N SER A 162 -10.111 -5.579 -6.867 1.00 0.00 N ATOM 171 CA SER A 162 -11.482 -5.137 -6.916 1.00 0.00 C ATOM 172 C SER A 162 -12.089 -5.107 -5.498 1.00 0.00 C ATOM 173 O SER A 162 -12.422 -4.035 -4.976 1.00 0.00 O ATOM 174 CB SER A 162 -12.280 -5.994 -7.899 1.00 0.00 C ATOM 175 OG SER A 162 -12.199 -7.368 -7.566 1.00 0.00 O ATOM 0 H SER A 162 -9.945 -6.518 -7.228 1.00 0.00 H new ATOM 0 HA SER A 162 -11.525 -4.114 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 162 -13.323 -5.678 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 162 -11.902 -5.840 -8.910 1.00 0.00 H new ATOM 0 HG SER A 162 -11.342 -7.729 -7.874 1.00 0.00 H new ATOM 181 N ASP A 163 -12.222 -6.260 -4.882 1.00 0.00 N ATOM 182 CA ASP A 163 -12.637 -6.327 -3.480 1.00 0.00 C ATOM 183 C ASP A 163 -11.384 -6.546 -2.681 1.00 0.00 C ATOM 184 O ASP A 163 -11.188 -5.985 -1.607 1.00 0.00 O ATOM 185 CB ASP A 163 -13.516 -7.523 -3.234 1.00 0.00 C ATOM 186 CG ASP A 163 -14.090 -7.570 -1.857 1.00 0.00 C ATOM 187 OD1 ASP A 163 -13.431 -8.106 -0.949 1.00 0.00 O ATOM 188 OD2 ASP A 163 -15.215 -7.096 -1.652 1.00 0.00 O ATOM 0 H ASP A 163 -12.052 -7.166 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.178 -5.419 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.331 -7.520 -3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -12.938 -8.430 -3.409 1.00 0.00 H new ATOM 193 N ASN A 164 -10.571 -7.437 -3.239 1.00 0.00 N ATOM 194 CA ASN A 164 -9.239 -7.831 -2.766 1.00 0.00 C ATOM 195 C ASN A 164 -9.291 -9.028 -1.826 1.00 0.00 C ATOM 196 O ASN A 164 -8.315 -9.765 -1.679 1.00 0.00 O ATOM 197 CB ASN A 164 -8.357 -6.670 -2.245 1.00 0.00 C ATOM 198 CG ASN A 164 -6.861 -6.981 -2.372 1.00 0.00 C ATOM 199 OD1 ASN A 164 -6.256 -6.712 -3.406 1.00 0.00 O ATOM 200 ND2 ASN A 164 -6.260 -7.538 -1.357 1.00 0.00 N ATOM 0 H ASN A 164 -10.837 -7.937 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 164 -8.711 -8.160 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -8.587 -5.762 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.598 -6.472 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -5.266 -7.760 -1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -6.784 -7.752 -0.509 1.00 0.00 H new ATOM 207 N GLU A 165 -10.445 -9.267 -1.225 1.00 0.00 N ATOM 208 CA GLU A 165 -10.608 -10.450 -0.411 1.00 0.00 C ATOM 209 C GLU A 165 -10.960 -11.600 -1.324 1.00 0.00 C ATOM 210 O GLU A 165 -10.571 -12.745 -1.109 1.00 0.00 O ATOM 211 CB GLU A 165 -11.651 -10.238 0.677 1.00 0.00 C ATOM 212 CG GLU A 165 -11.225 -9.216 1.721 1.00 0.00 C ATOM 213 CD GLU A 165 -10.074 -9.694 2.586 1.00 0.00 C ATOM 214 OE1 GLU A 165 -8.917 -9.739 2.122 1.00 0.00 O ATOM 215 OE2 GLU A 165 -10.319 -10.052 3.766 1.00 0.00 O ATOM 0 H GLU A 165 -11.267 -8.666 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 165 -9.679 -10.676 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.585 -9.913 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.852 -11.189 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -10.936 -8.292 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.077 -8.980 2.358 1.00 0.00 H new ATOM 222 N GLU A 166 -11.679 -11.268 -2.374 1.00 0.00 N ATOM 223 CA GLU A 166 -12.019 -12.221 -3.393 1.00 0.00 C ATOM 224 C GLU A 166 -10.897 -12.313 -4.430 1.00 0.00 C ATOM 225 O GLU A 166 -10.736 -13.307 -5.123 1.00 0.00 O ATOM 226 CB GLU A 166 -13.416 -11.925 -3.980 1.00 0.00 C ATOM 227 CG GLU A 166 -13.691 -10.529 -4.509 1.00 0.00 C ATOM 228 CD GLU A 166 -12.822 -10.049 -5.624 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.080 -10.435 -6.792 1.00 0.00 O ATOM 230 OE2 GLU A 166 -11.898 -9.234 -5.353 1.00 0.00 O ATOM 0 H GLU A 166 -12.041 -10.329 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.100 -13.217 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.592 -12.630 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.154 -12.140 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.727 -10.491 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.599 -9.827 -3.680 1.00 0.00 H new ATOM 237 N GLU A 167 -10.113 -11.258 -4.478 1.00 0.00 N ATOM 238 CA GLU A 167 -8.914 -11.132 -5.303 1.00 0.00 C ATOM 239 C GLU A 167 -7.726 -11.781 -4.560 1.00 0.00 C ATOM 240 O GLU A 167 -6.577 -11.390 -4.760 1.00 0.00 O ATOM 241 CB GLU A 167 -8.592 -9.674 -5.430 1.00 0.00 C ATOM 242 CG GLU A 167 -7.901 -9.268 -6.711 1.00 0.00 C ATOM 243 CD GLU A 167 -8.866 -9.146 -7.862 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.661 -8.176 -7.892 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.882 -10.021 -8.746 1.00 0.00 O ATOM 0 H GLU A 167 -10.295 -10.423 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.079 -11.602 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.518 -9.107 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -7.960 -9.385 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.393 -8.315 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.135 -10.003 -6.957 1.00 0.00 H new ATOM 252 N ASP A 168 -8.027 -12.758 -3.714 1.00 0.00 N ATOM 253 CA ASP A 168 -7.039 -13.502 -2.869 1.00 0.00 C ATOM 254 C ASP A 168 -5.803 -13.903 -3.663 1.00 0.00 C ATOM 255 O ASP A 168 -4.678 -13.837 -3.154 1.00 0.00 O ATOM 256 CB ASP A 168 -7.692 -14.738 -2.215 1.00 0.00 C ATOM 257 CG ASP A 168 -6.711 -15.586 -1.412 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.367 -15.220 -0.276 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.261 -16.648 -1.916 1.00 0.00 O ATOM 0 H ASP A 168 -8.985 -13.080 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.715 -12.824 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.499 -14.410 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.144 -15.355 -2.992 1.00 0.00 H new ATOM 264 N LYS A 169 -6.032 -14.266 -4.921 1.00 0.00 N ATOM 265 CA LYS A 169 -4.981 -14.539 -5.892 1.00 0.00 C ATOM 266 C LYS A 169 -3.898 -13.437 -5.878 1.00 0.00 C ATOM 267 O LYS A 169 -2.723 -13.720 -5.664 1.00 0.00 O ATOM 268 CB LYS A 169 -5.584 -14.655 -7.313 1.00 0.00 C ATOM 269 CG LYS A 169 -6.619 -13.560 -7.634 1.00 0.00 C ATOM 270 CD LYS A 169 -6.886 -13.379 -9.100 1.00 0.00 C ATOM 271 CE LYS A 169 -5.647 -12.936 -9.870 1.00 0.00 C ATOM 272 NZ LYS A 169 -5.942 -12.750 -11.297 1.00 0.00 N ATOM 0 H LYS A 169 -6.972 -14.381 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.512 -15.483 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -4.778 -14.608 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.056 -15.632 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.556 -13.803 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.271 -12.614 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.253 -14.317 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -7.676 -12.640 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.270 -12.004 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -4.859 -13.680 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.079 -12.449 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.279 -13.647 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -6.677 -12.023 -11.408 1.00 0.00 H new ATOM 286 N GLU A 170 -4.305 -12.187 -6.046 1.00 0.00 N ATOM 287 CA GLU A 170 -3.386 -11.094 -6.085 1.00 0.00 C ATOM 288 C GLU A 170 -3.105 -10.523 -4.757 1.00 0.00 C ATOM 289 O GLU A 170 -2.098 -9.874 -4.589 1.00 0.00 O ATOM 290 CB GLU A 170 -3.726 -10.047 -7.104 1.00 0.00 C ATOM 291 CG GLU A 170 -2.966 -10.266 -8.378 1.00 0.00 C ATOM 292 CD GLU A 170 -3.396 -9.370 -9.478 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.401 -9.672 -10.134 1.00 0.00 O ATOM 294 OE2 GLU A 170 -2.735 -8.355 -9.721 1.00 0.00 O ATOM 0 H GLU A 170 -5.283 -11.918 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.451 -11.536 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -4.797 -10.068 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.496 -9.059 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -1.903 -10.115 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.089 -11.302 -8.693 1.00 0.00 H new ATOM 301 N ALA A 171 -3.990 -10.756 -3.803 1.00 0.00 N ATOM 302 CA ALA A 171 -3.715 -10.376 -2.437 1.00 0.00 C ATOM 303 C ALA A 171 -2.407 -11.029 -2.036 1.00 0.00 C ATOM 304 O ALA A 171 -1.533 -10.390 -1.510 1.00 0.00 O ATOM 305 CB ALA A 171 -4.841 -10.813 -1.512 1.00 0.00 C ATOM 0 H ALA A 171 -4.895 -11.202 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.640 -9.292 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.609 -10.515 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.773 -10.341 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.950 -11.897 -1.558 1.00 0.00 H new ATOM 311 N ALA A 172 -2.275 -12.296 -2.412 1.00 0.00 N ATOM 312 CA ALA A 172 -1.092 -13.078 -2.189 1.00 0.00 C ATOM 313 C ALA A 172 0.020 -12.697 -3.167 1.00 0.00 C ATOM 314 O ALA A 172 1.134 -12.444 -2.734 1.00 0.00 O ATOM 315 CB ALA A 172 -1.409 -14.557 -2.299 1.00 0.00 C ATOM 0 H ALA A 172 -3.014 -12.810 -2.892 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.736 -12.867 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.502 -15.137 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.158 -14.825 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -1.795 -14.773 -3.295 1.00 0.00 H new ATOM 321 N GLN A 173 -0.287 -12.642 -4.489 1.00 0.00 N ATOM 322 CA GLN A 173 0.726 -12.319 -5.494 1.00 0.00 C ATOM 323 C GLN A 173 1.373 -10.986 -5.249 1.00 0.00 C ATOM 324 O GLN A 173 2.549 -10.921 -5.044 1.00 0.00 O ATOM 325 CB GLN A 173 0.188 -12.281 -6.898 1.00 0.00 C ATOM 326 CG GLN A 173 -0.256 -13.581 -7.510 1.00 0.00 C ATOM 327 CD GLN A 173 -0.501 -13.432 -9.006 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.369 -14.074 -9.571 1.00 0.00 O ATOM 329 NE2 GLN A 173 0.318 -12.645 -9.677 1.00 0.00 N ATOM 0 H GLN A 173 -1.218 -12.817 -4.867 1.00 0.00 H new ATOM 0 HA GLN A 173 1.450 -13.128 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -0.659 -11.596 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.957 -11.853 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 173 0.502 -14.345 -7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.169 -13.922 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 173 1.037 -12.117 -9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 173 0.232 -12.564 -10.690 1.00 0.00 H new ATOM 338 N LEU A 174 0.581 -9.929 -5.249 1.00 0.00 N ATOM 339 CA LEU A 174 1.089 -8.562 -5.079 1.00 0.00 C ATOM 340 C LEU A 174 1.875 -8.439 -3.801 1.00 0.00 C ATOM 341 O LEU A 174 2.914 -7.790 -3.756 1.00 0.00 O ATOM 342 CB LEU A 174 -0.064 -7.588 -5.072 1.00 0.00 C ATOM 343 CG LEU A 174 -0.912 -7.586 -6.339 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.079 -6.624 -6.205 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.072 -7.246 -7.565 1.00 0.00 C ATOM 0 H LEU A 174 -0.431 -9.984 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 174 1.753 -8.332 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.708 -7.816 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.329 -6.584 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.310 -8.592 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.670 -6.639 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.704 -6.925 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.702 -5.616 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.705 -7.252 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.369 -6.257 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.721 -7.985 -7.679 1.00 0.00 H new ATOM 357 N ARG A 175 1.352 -9.053 -2.781 1.00 0.00 N ATOM 358 CA ARG A 175 2.013 -9.152 -1.486 1.00 0.00 C ATOM 359 C ARG A 175 3.414 -9.795 -1.628 1.00 0.00 C ATOM 360 O ARG A 175 4.445 -9.140 -1.379 1.00 0.00 O ATOM 361 CB ARG A 175 1.126 -10.010 -0.608 1.00 0.00 C ATOM 362 CG ARG A 175 1.578 -10.322 0.793 1.00 0.00 C ATOM 363 CD ARG A 175 0.598 -11.323 1.367 1.00 0.00 C ATOM 364 NE ARG A 175 0.792 -11.613 2.783 1.00 0.00 N ATOM 365 CZ ARG A 175 0.513 -12.789 3.355 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.403 -13.887 2.611 1.00 0.00 N ATOM 367 NH2 ARG A 175 0.425 -12.873 4.666 1.00 0.00 N ATOM 0 H ARG A 175 0.441 -9.510 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 175 2.158 -8.163 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.155 -9.519 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.969 -10.958 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.588 -10.731 0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.603 -9.417 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.414 -10.946 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.676 -12.253 0.804 1.00 0.00 H new ATOM 0 HE ARG A 175 1.165 -10.871 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.532 -13.833 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.190 -14.782 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 175 0.569 -12.043 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 175 0.212 -13.768 5.107 1.00 0.00 H new ATOM 381 N GLU A 176 3.458 -11.039 -2.101 1.00 0.00 N ATOM 382 CA GLU A 176 4.714 -11.753 -2.171 1.00 0.00 C ATOM 383 C GLU A 176 5.620 -11.214 -3.254 1.00 0.00 C ATOM 384 O GLU A 176 6.742 -10.905 -2.982 1.00 0.00 O ATOM 385 CB GLU A 176 4.557 -13.278 -2.331 1.00 0.00 C ATOM 386 CG GLU A 176 3.936 -13.746 -3.643 1.00 0.00 C ATOM 387 CD GLU A 176 4.284 -15.169 -3.962 1.00 0.00 C ATOM 388 OE1 GLU A 176 3.810 -16.082 -3.262 1.00 0.00 O ATOM 389 OE2 GLU A 176 5.078 -15.409 -4.916 1.00 0.00 O ATOM 0 H GLU A 176 2.647 -11.560 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 176 5.180 -11.578 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.540 -13.738 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.946 -13.650 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.852 -13.643 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 176 4.275 -13.101 -4.453 1.00 0.00 H new ATOM 396 N GLU A 177 5.103 -11.048 -4.457 1.00 0.00 N ATOM 397 CA GLU A 177 5.899 -10.681 -5.612 1.00 0.00 C ATOM 398 C GLU A 177 6.598 -9.369 -5.429 1.00 0.00 C ATOM 399 O GLU A 177 7.753 -9.252 -5.770 1.00 0.00 O ATOM 400 CB GLU A 177 5.084 -10.676 -6.906 1.00 0.00 C ATOM 401 CG GLU A 177 4.531 -12.038 -7.299 1.00 0.00 C ATOM 402 CD GLU A 177 3.800 -12.009 -8.617 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.631 -11.636 -8.651 1.00 0.00 O ATOM 404 OE2 GLU A 177 4.394 -12.380 -9.658 1.00 0.00 O ATOM 0 H GLU A 177 4.111 -11.165 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 177 6.660 -11.456 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.255 -9.977 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.711 -10.303 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.350 -12.755 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.854 -12.390 -6.520 1.00 0.00 H new ATOM 411 N ARG A 178 5.934 -8.404 -4.834 1.00 0.00 N ATOM 412 CA ARG A 178 6.554 -7.114 -4.656 1.00 0.00 C ATOM 413 C ARG A 178 7.677 -7.161 -3.626 1.00 0.00 C ATOM 414 O ARG A 178 8.709 -6.526 -3.812 1.00 0.00 O ATOM 415 CB ARG A 178 5.535 -6.017 -4.380 1.00 0.00 C ATOM 416 CG ARG A 178 4.587 -5.807 -5.551 1.00 0.00 C ATOM 417 CD ARG A 178 3.632 -4.653 -5.329 1.00 0.00 C ATOM 418 NE ARG A 178 2.710 -4.871 -4.209 1.00 0.00 N ATOM 419 CZ ARG A 178 1.615 -4.136 -3.988 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.286 -3.180 -4.842 1.00 0.00 N ATOM 421 NH2 ARG A 178 0.864 -4.357 -2.921 1.00 0.00 N ATOM 0 H ARG A 178 4.984 -8.485 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 178 7.023 -6.849 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 178 4.960 -6.273 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.057 -5.084 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.168 -5.624 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.015 -6.720 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 178 4.206 -3.745 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.055 -4.488 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 178 2.917 -5.630 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.866 -3.008 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.452 -2.616 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 178 1.119 -5.092 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 178 0.030 -3.793 -2.759 1.00 0.00 H new ATOM 435 N LEU A 179 7.517 -7.953 -2.571 1.00 0.00 N ATOM 436 CA LEU A 179 8.609 -8.095 -1.612 1.00 0.00 C ATOM 437 C LEU A 179 9.670 -9.085 -2.133 1.00 0.00 C ATOM 438 O LEU A 179 10.846 -9.000 -1.794 1.00 0.00 O ATOM 439 CB LEU A 179 8.096 -8.431 -0.173 1.00 0.00 C ATOM 440 CG LEU A 179 7.253 -9.716 0.058 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.097 -10.985 0.003 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.508 -9.634 1.380 1.00 0.00 C ATOM 0 H LEU A 179 6.675 -8.489 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 179 9.103 -7.128 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.968 -8.491 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.500 -7.584 0.168 1.00 0.00 H new ATOM 0 HG LEU A 179 6.532 -9.774 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.460 -11.853 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.570 -11.065 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.865 -10.945 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.923 -10.542 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.224 -9.529 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.842 -8.771 1.369 1.00 0.00 H new ATOM 454 N ARG A 180 9.233 -9.987 -2.990 1.00 0.00 N ATOM 455 CA ARG A 180 10.080 -11.016 -3.578 1.00 0.00 C ATOM 456 C ARG A 180 11.016 -10.378 -4.601 1.00 0.00 C ATOM 457 O ARG A 180 12.208 -10.655 -4.607 1.00 0.00 O ATOM 458 CB ARG A 180 9.191 -12.092 -4.218 1.00 0.00 C ATOM 459 CG ARG A 180 9.853 -13.416 -4.522 1.00 0.00 C ATOM 460 CD ARG A 180 8.799 -14.441 -4.943 1.00 0.00 C ATOM 461 NE ARG A 180 9.361 -15.785 -5.090 1.00 0.00 N ATOM 462 CZ ARG A 180 8.677 -16.943 -5.008 1.00 0.00 C ATOM 463 NH1 ARG A 180 7.349 -16.955 -4.812 1.00 0.00 N ATOM 464 NH2 ARG A 180 9.332 -18.094 -5.135 1.00 0.00 N ATOM 0 H ARG A 180 8.264 -10.029 -3.305 1.00 0.00 H new ATOM 0 HA ARG A 180 10.693 -11.491 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.346 -12.277 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 180 8.785 -11.692 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.589 -13.291 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 180 10.390 -13.774 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.000 -14.463 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.351 -14.131 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 180 10.363 -15.851 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.839 -16.076 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.850 -17.843 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 180 10.340 -18.093 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 180 8.826 -18.978 -5.075 1.00 0.00 H new ATOM 478 N GLN A 181 10.461 -9.483 -5.435 1.00 0.00 N ATOM 479 CA GLN A 181 11.251 -8.711 -6.401 1.00 0.00 C ATOM 480 C GLN A 181 12.299 -7.914 -5.657 1.00 0.00 C ATOM 481 O GLN A 181 13.466 -7.901 -6.031 1.00 0.00 O ATOM 482 CB GLN A 181 10.375 -7.730 -7.201 1.00 0.00 C ATOM 483 CG GLN A 181 9.386 -8.348 -8.169 1.00 0.00 C ATOM 484 CD GLN A 181 8.589 -7.279 -8.893 1.00 0.00 C ATOM 485 OE1 GLN A 181 9.074 -6.171 -9.113 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.392 -7.594 -9.283 1.00 0.00 N ATOM 0 H GLN A 181 9.462 -9.278 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 181 11.708 -9.415 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.821 -7.112 -6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.031 -7.064 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.919 -8.963 -8.895 1.00 0.00 H new ATOM 0 HG3 GLN A 181 8.708 -9.008 -7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.019 -8.522 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.824 -6.913 -9.788 1.00 0.00 H new ATOM 495 N TYR A 182 11.854 -7.292 -4.577 1.00 0.00 N ATOM 496 CA TYR A 182 12.689 -6.479 -3.706 1.00 0.00 C ATOM 497 C TYR A 182 13.873 -7.323 -3.209 1.00 0.00 C ATOM 498 O TYR A 182 15.030 -6.911 -3.295 1.00 0.00 O ATOM 499 CB TYR A 182 11.830 -6.023 -2.517 1.00 0.00 C ATOM 500 CG TYR A 182 12.321 -4.800 -1.782 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.264 -4.880 -0.765 1.00 0.00 C ATOM 502 CD2 TYR A 182 11.815 -3.555 -2.108 1.00 0.00 C ATOM 503 CE1 TYR A 182 13.684 -3.741 -0.099 1.00 0.00 C ATOM 504 CE2 TYR A 182 12.225 -2.423 -1.455 1.00 0.00 C ATOM 505 CZ TYR A 182 13.156 -2.515 -0.454 1.00 0.00 C ATOM 506 OH TYR A 182 13.563 -1.368 0.199 1.00 0.00 O ATOM 0 H TYR A 182 10.881 -7.339 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 182 13.077 -5.611 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.820 -5.826 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.760 -6.847 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 182 13.674 -5.841 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 182 11.080 -3.473 -2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.418 -3.811 0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 182 11.816 -1.461 -1.728 1.00 0.00 H new ATOM 0 HH TYR A 182 13.093 -0.594 -0.176 1.00 0.00 H new ATOM 516 N ALA A 183 13.566 -8.520 -2.732 1.00 0.00 N ATOM 517 CA ALA A 183 14.566 -9.450 -2.232 1.00 0.00 C ATOM 518 C ALA A 183 15.539 -9.881 -3.333 1.00 0.00 C ATOM 519 O ALA A 183 16.758 -9.909 -3.113 1.00 0.00 O ATOM 520 CB ALA A 183 13.893 -10.666 -1.611 1.00 0.00 C ATOM 0 H ALA A 183 12.611 -8.875 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 183 15.144 -8.934 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.654 -11.354 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.258 -10.348 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.284 -11.169 -2.363 1.00 0.00 H new ATOM 526 N GLU A 184 15.003 -10.203 -4.511 1.00 0.00 N ATOM 527 CA GLU A 184 15.817 -10.626 -5.644 1.00 0.00 C ATOM 528 C GLU A 184 16.758 -9.524 -6.115 1.00 0.00 C ATOM 529 O GLU A 184 17.943 -9.773 -6.348 1.00 0.00 O ATOM 530 CB GLU A 184 14.960 -11.113 -6.802 1.00 0.00 C ATOM 531 CG GLU A 184 14.190 -12.376 -6.495 1.00 0.00 C ATOM 532 CD GLU A 184 13.361 -12.837 -7.659 1.00 0.00 C ATOM 533 OE1 GLU A 184 12.202 -12.437 -7.781 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.875 -13.618 -8.504 1.00 0.00 O ATOM 0 H GLU A 184 14.002 -10.178 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 184 16.424 -11.460 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.257 -10.327 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.599 -11.288 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 184 14.888 -13.165 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.542 -12.203 -5.636 1.00 0.00 H new ATOM 541 N LYS A 185 16.238 -8.309 -6.231 1.00 0.00 N ATOM 542 CA LYS A 185 17.046 -7.159 -6.657 1.00 0.00 C ATOM 543 C LYS A 185 18.172 -6.915 -5.664 1.00 0.00 C ATOM 544 O LYS A 185 19.320 -6.690 -6.042 1.00 0.00 O ATOM 545 CB LYS A 185 16.182 -5.905 -6.789 1.00 0.00 C ATOM 546 CG LYS A 185 15.089 -6.009 -7.837 1.00 0.00 C ATOM 547 CD LYS A 185 14.246 -4.751 -7.873 1.00 0.00 C ATOM 548 CE LYS A 185 13.110 -4.864 -8.870 1.00 0.00 C ATOM 549 NZ LYS A 185 13.588 -5.130 -10.243 1.00 0.00 N ATOM 0 H LYS A 185 15.261 -8.088 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 185 17.474 -7.385 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.724 -5.690 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.824 -5.059 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.535 -6.179 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.455 -6.869 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.840 -4.557 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.875 -3.899 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.438 -5.664 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.531 -3.941 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 12.801 -5.014 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.347 -4.461 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.952 -6.102 -10.301 1.00 0.00 H new ATOM 563 N LYS A 186 17.848 -7.041 -4.396 1.00 0.00 N ATOM 564 CA LYS A 186 18.813 -6.862 -3.319 1.00 0.00 C ATOM 565 C LYS A 186 19.795 -8.038 -3.216 1.00 0.00 C ATOM 566 O LYS A 186 20.757 -7.983 -2.450 1.00 0.00 O ATOM 567 CB LYS A 186 18.098 -6.613 -1.980 1.00 0.00 C ATOM 568 CG LYS A 186 17.704 -5.151 -1.699 1.00 0.00 C ATOM 569 CD LYS A 186 16.893 -4.508 -2.817 1.00 0.00 C ATOM 570 CE LYS A 186 16.418 -3.113 -2.442 1.00 0.00 C ATOM 571 NZ LYS A 186 17.529 -2.198 -2.079 1.00 0.00 N ATOM 0 H LYS A 186 16.907 -7.271 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 186 19.405 -5.979 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.197 -7.226 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.745 -6.958 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.127 -5.111 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 186 18.609 -4.565 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 186 17.500 -4.454 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 186 16.032 -5.135 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 186 15.863 -2.687 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.725 -3.185 -1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 17.157 -1.235 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 17.970 -2.521 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 18.239 -2.195 -2.839 1.00 0.00 H new ATOM 585 N ALA A 187 19.535 -9.097 -3.964 1.00 0.00 N ATOM 586 CA ALA A 187 20.430 -10.241 -4.015 1.00 0.00 C ATOM 587 C ALA A 187 21.422 -10.065 -5.161 1.00 0.00 C ATOM 588 O ALA A 187 22.585 -10.472 -5.068 1.00 0.00 O ATOM 589 CB ALA A 187 19.645 -11.536 -4.176 1.00 0.00 C ATOM 0 H ALA A 187 18.704 -9.188 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 187 20.980 -10.301 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.336 -12.378 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 187 18.967 -11.658 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.069 -11.500 -5.101 1.00 0.00 H new ATOM 595 N LYS A 188 20.955 -9.460 -6.248 1.00 0.00 N ATOM 596 CA LYS A 188 21.817 -9.148 -7.386 1.00 0.00 C ATOM 597 C LYS A 188 22.714 -7.962 -7.072 1.00 0.00 C ATOM 598 O LYS A 188 23.871 -7.896 -7.515 1.00 0.00 O ATOM 599 CB LYS A 188 21.020 -8.859 -8.671 1.00 0.00 C ATOM 600 CG LYS A 188 20.596 -10.073 -9.505 1.00 0.00 C ATOM 601 CD LYS A 188 19.570 -10.965 -8.832 1.00 0.00 C ATOM 602 CE LYS A 188 19.176 -12.098 -9.772 1.00 0.00 C ATOM 603 NZ LYS A 188 18.136 -12.977 -9.209 1.00 0.00 N ATOM 0 H LYS A 188 19.983 -9.175 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 188 22.425 -10.035 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.123 -8.304 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.620 -8.204 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.189 -9.723 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 188 21.480 -10.667 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 188 19.979 -11.373 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 188 18.690 -10.382 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 188 18.818 -11.676 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 188 20.059 -12.693 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 17.909 -13.728 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 18.483 -13.405 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 17.281 -12.420 -9.010 1.00 0.00 H new ATOM 617 N LYS A 189 22.184 -7.022 -6.337 1.00 0.00 N ATOM 618 CA LYS A 189 22.936 -5.861 -5.933 1.00 0.00 C ATOM 619 C LYS A 189 23.795 -6.182 -4.718 1.00 0.00 C ATOM 620 O LYS A 189 23.355 -6.896 -3.810 1.00 0.00 O ATOM 621 CB LYS A 189 21.993 -4.700 -5.619 1.00 0.00 C ATOM 622 CG LYS A 189 21.252 -4.120 -6.826 1.00 0.00 C ATOM 623 CD LYS A 189 22.185 -3.406 -7.812 1.00 0.00 C ATOM 624 CE LYS A 189 22.909 -2.242 -7.151 1.00 0.00 C ATOM 625 NZ LYS A 189 23.702 -1.446 -8.106 1.00 0.00 N ATOM 0 H LYS A 189 21.221 -7.037 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 189 23.589 -5.569 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 189 21.258 -5.037 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 189 22.568 -3.903 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 189 20.729 -4.923 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.494 -3.418 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 189 22.915 -4.115 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.608 -3.042 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 189 22.179 -1.595 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 189 23.566 -2.625 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 24.173 -0.668 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 24.419 -2.053 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 23.074 -1.055 -8.837 1.00 0.00 H new ATOM 639 N PRO A 190 25.048 -5.716 -4.699 1.00 0.00 N ATOM 640 CA PRO A 190 25.933 -5.904 -3.559 1.00 0.00 C ATOM 641 C PRO A 190 25.712 -4.796 -2.519 1.00 0.00 C ATOM 642 O PRO A 190 24.763 -4.013 -2.633 1.00 0.00 O ATOM 643 CB PRO A 190 27.319 -5.782 -4.190 1.00 0.00 C ATOM 644 CG PRO A 190 27.137 -4.806 -5.303 1.00 0.00 C ATOM 645 CD PRO A 190 25.720 -4.981 -5.797 1.00 0.00 C ATOM 0 HA PRO A 190 25.776 -6.846 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 190 28.054 -5.428 -3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 190 27.673 -6.744 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 190 27.304 -3.786 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 190 27.853 -4.992 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 190 25.241 -4.020 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 190 25.689 -5.542 -6.731 1.00 0.00 H new ATOM 653 N ALA A 191 26.589 -4.710 -1.541 1.00 0.00 N ATOM 654 CA ALA A 191 26.487 -3.699 -0.496 1.00 0.00 C ATOM 655 C ALA A 191 26.721 -2.307 -1.063 1.00 0.00 C ATOM 656 O ALA A 191 26.204 -1.314 -0.537 1.00 0.00 O ATOM 657 CB ALA A 191 27.468 -3.989 0.627 1.00 0.00 C ATOM 0 H ALA A 191 27.391 -5.333 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 191 25.477 -3.735 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 191 27.376 -3.223 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 191 27.249 -4.966 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 191 28.484 -3.987 0.232 1.00 0.00 H new ATOM 663 N LEU A 192 27.476 -2.244 -2.127 1.00 0.00 N ATOM 664 CA LEU A 192 27.745 -1.008 -2.800 1.00 0.00 C ATOM 665 C LEU A 192 27.036 -0.995 -4.156 1.00 0.00 C ATOM 666 O LEU A 192 25.854 -0.609 -4.195 1.00 0.00 O ATOM 667 CB LEU A 192 29.280 -0.690 -2.914 1.00 0.00 C ATOM 668 CG LEU A 192 30.216 -1.656 -3.705 1.00 0.00 C ATOM 669 CD1 LEU A 192 31.589 -1.029 -3.862 1.00 0.00 C ATOM 670 CD2 LEU A 192 30.365 -3.013 -3.023 1.00 0.00 C ATOM 671 OXT LEU A 192 27.622 -1.396 -5.172 1.00 0.00 O ATOM 0 H LEU A 192 27.923 -3.056 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 192 27.341 -0.198 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 192 29.375 0.297 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 192 29.673 -0.615 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 192 29.755 -1.820 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 192 32.238 -1.708 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 192 31.500 -0.089 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 192 32.017 -0.839 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 192 31.026 -3.647 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 192 30.788 -2.876 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 192 29.387 -3.487 -2.939 1.00 0.00 H new TER 683 LEU A 192