USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=6 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= 0.0163 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc=-0.00864 X(o=-0.0086,f=-0.0086) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 181 GLN : amide:sc=-0.00672 X(o=-0.0067,f=-0.49) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0309) USER MOD Single : A 186 LYS NZ :NH3+ -176:sc= -0.0293 (180deg=-0.101) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 166:sc=-0.00933 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 4.189 8.981 1.730 1.00 0.00 N ATOM 2 CA GLY A 149 4.987 7.819 1.330 1.00 0.00 C ATOM 3 C GLY A 149 4.259 6.547 1.661 1.00 0.00 C ATOM 4 O GLY A 149 4.054 6.253 2.827 1.00 0.00 O ATOM 0 HA2 GLY A 149 5.192 7.861 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 149 5.950 7.838 1.840 1.00 0.00 H new ATOM 10 N PRO A 150 3.884 5.734 0.663 1.00 0.00 N ATOM 11 CA PRO A 150 3.062 4.549 0.888 1.00 0.00 C ATOM 12 C PRO A 150 3.843 3.331 1.406 1.00 0.00 C ATOM 13 O PRO A 150 3.558 2.202 1.027 1.00 0.00 O ATOM 14 CB PRO A 150 2.465 4.277 -0.489 1.00 0.00 C ATOM 15 CG PRO A 150 3.483 4.782 -1.459 1.00 0.00 C ATOM 16 CD PRO A 150 4.224 5.904 -0.771 1.00 0.00 C ATOM 0 HA PRO A 150 2.323 4.722 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.276 3.213 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 150 1.512 4.791 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.169 3.986 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.004 5.137 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 150 5.299 5.833 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 150 3.907 6.878 -1.143 1.00 0.00 H new ATOM 24 N GLY A 151 4.764 3.556 2.326 1.00 0.00 N ATOM 25 CA GLY A 151 5.533 2.465 2.897 1.00 0.00 C ATOM 26 C GLY A 151 4.670 1.576 3.765 1.00 0.00 C ATOM 27 O GLY A 151 4.759 0.358 3.703 1.00 0.00 O ATOM 0 H GLY A 151 4.997 4.479 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 151 5.978 1.873 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.354 2.868 3.490 1.00 0.00 H new ATOM 31 N SER A 152 3.840 2.189 4.569 1.00 0.00 N ATOM 32 CA SER A 152 2.934 1.471 5.426 1.00 0.00 C ATOM 33 C SER A 152 1.491 1.637 4.948 1.00 0.00 C ATOM 34 O SER A 152 0.542 1.095 5.536 1.00 0.00 O ATOM 35 CB SER A 152 3.110 2.006 6.833 1.00 0.00 C ATOM 36 OG SER A 152 3.092 3.435 6.812 1.00 0.00 O ATOM 0 H SER A 152 3.774 3.204 4.648 1.00 0.00 H new ATOM 0 HA SER A 152 3.154 0.404 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 152 2.314 1.632 7.477 1.00 0.00 H new ATOM 0 HB3 SER A 152 4.051 1.651 7.252 1.00 0.00 H new ATOM 0 HG SER A 152 3.204 3.777 7.723 1.00 0.00 H new ATOM 42 N GLU A 153 1.329 2.382 3.873 1.00 0.00 N ATOM 43 CA GLU A 153 0.007 2.680 3.358 1.00 0.00 C ATOM 44 C GLU A 153 -0.304 1.835 2.143 1.00 0.00 C ATOM 45 O GLU A 153 -1.433 1.816 1.667 1.00 0.00 O ATOM 46 CB GLU A 153 -0.103 4.157 3.005 1.00 0.00 C ATOM 47 CG GLU A 153 0.241 5.071 4.163 1.00 0.00 C ATOM 48 CD GLU A 153 0.181 6.524 3.806 1.00 0.00 C ATOM 49 OE1 GLU A 153 -0.924 7.083 3.715 1.00 0.00 O ATOM 50 OE2 GLU A 153 1.232 7.148 3.635 1.00 0.00 O ATOM 0 H GLU A 153 2.095 2.792 3.339 1.00 0.00 H new ATOM 0 HA GLU A 153 -0.719 2.444 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 153 0.560 4.375 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.118 4.370 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -0.446 4.877 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 153 1.243 4.832 4.521 1.00 0.00 H new ATOM 57 N ASP A 154 0.684 1.091 1.689 1.00 0.00 N ATOM 58 CA ASP A 154 0.558 0.303 0.459 1.00 0.00 C ATOM 59 C ASP A 154 -0.476 -0.800 0.614 1.00 0.00 C ATOM 60 O ASP A 154 -1.361 -0.954 -0.210 1.00 0.00 O ATOM 61 CB ASP A 154 1.905 -0.293 0.064 1.00 0.00 C ATOM 62 CG ASP A 154 1.856 -1.038 -1.242 1.00 0.00 C ATOM 63 OD1 ASP A 154 1.561 -2.249 -1.240 1.00 0.00 O ATOM 64 OD2 ASP A 154 2.141 -0.432 -2.301 1.00 0.00 O ATOM 0 H ASP A 154 1.591 1.009 2.149 1.00 0.00 H new ATOM 0 HA ASP A 154 0.223 0.974 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 154 2.643 0.506 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 154 2.242 -0.969 0.850 1.00 0.00 H new ATOM 69 N ASP A 155 -0.391 -1.525 1.703 1.00 0.00 N ATOM 70 CA ASP A 155 -1.335 -2.619 1.975 1.00 0.00 C ATOM 71 C ASP A 155 -2.520 -2.086 2.753 1.00 0.00 C ATOM 72 O ASP A 155 -3.422 -2.831 3.144 1.00 0.00 O ATOM 73 CB ASP A 155 -0.676 -3.756 2.787 1.00 0.00 C ATOM 74 CG ASP A 155 0.508 -4.407 2.106 1.00 0.00 C ATOM 75 OD1 ASP A 155 0.311 -5.239 1.176 1.00 0.00 O ATOM 76 OD2 ASP A 155 1.676 -4.112 2.498 1.00 0.00 O ATOM 0 H ASP A 155 0.317 -1.389 2.425 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.656 -3.023 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.353 -3.358 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -1.426 -4.520 2.994 1.00 0.00 H new ATOM 81 N ASP A 156 -2.519 -0.794 2.958 1.00 0.00 N ATOM 82 CA ASP A 156 -3.537 -0.122 3.751 1.00 0.00 C ATOM 83 C ASP A 156 -4.621 0.424 2.854 1.00 0.00 C ATOM 84 O ASP A 156 -5.808 0.154 3.044 1.00 0.00 O ATOM 85 CB ASP A 156 -2.893 1.018 4.543 1.00 0.00 C ATOM 86 CG ASP A 156 -3.833 1.738 5.481 1.00 0.00 C ATOM 87 OD1 ASP A 156 -4.587 2.616 5.040 1.00 0.00 O ATOM 88 OD2 ASP A 156 -3.770 1.488 6.696 1.00 0.00 O ATOM 0 H ASP A 156 -1.809 -0.166 2.580 1.00 0.00 H new ATOM 0 HA ASP A 156 -3.984 -0.838 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -2.060 0.617 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -2.476 1.741 3.842 1.00 0.00 H new ATOM 93 N ILE A 157 -4.199 1.175 1.884 1.00 0.00 N ATOM 94 CA ILE A 157 -5.091 1.825 0.952 1.00 0.00 C ATOM 95 C ILE A 157 -5.569 0.838 -0.098 1.00 0.00 C ATOM 96 O ILE A 157 -4.798 0.397 -0.959 1.00 0.00 O ATOM 97 CB ILE A 157 -4.406 3.037 0.240 1.00 0.00 C ATOM 98 CG1 ILE A 157 -3.847 4.046 1.261 1.00 0.00 C ATOM 99 CG2 ILE A 157 -5.375 3.730 -0.726 1.00 0.00 C ATOM 100 CD1 ILE A 157 -4.884 4.675 2.165 1.00 0.00 C ATOM 0 H ILE A 157 -3.212 1.361 1.708 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.939 2.197 1.527 1.00 0.00 H new ATOM 0 HB ILE A 157 -3.569 2.644 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.104 3.542 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.328 4.838 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.872 4.569 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.702 3.020 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.241 4.095 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.397 5.370 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.615 5.212 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.388 3.896 2.737 1.00 0.00 H new ATOM 112 N ASP A 158 -6.803 0.466 0.004 1.00 0.00 N ATOM 113 CA ASP A 158 -7.440 -0.392 -0.963 1.00 0.00 C ATOM 114 C ASP A 158 -8.605 0.351 -1.559 1.00 0.00 C ATOM 115 O ASP A 158 -9.568 0.688 -0.869 1.00 0.00 O ATOM 116 CB ASP A 158 -7.857 -1.721 -0.334 1.00 0.00 C ATOM 117 CG ASP A 158 -8.808 -2.531 -1.187 1.00 0.00 C ATOM 118 OD1 ASP A 158 -8.557 -2.707 -2.407 1.00 0.00 O ATOM 119 OD2 ASP A 158 -9.839 -2.991 -0.632 1.00 0.00 O ATOM 0 H ASP A 158 -7.413 0.750 0.770 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.739 -0.646 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -6.964 -2.315 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -8.327 -1.524 0.630 1.00 0.00 H new ATOM 124 N LEU A 159 -8.480 0.658 -2.819 1.00 0.00 N ATOM 125 CA LEU A 159 -9.432 1.488 -3.502 1.00 0.00 C ATOM 126 C LEU A 159 -10.229 0.749 -4.575 1.00 0.00 C ATOM 127 O LEU A 159 -11.428 0.963 -4.713 1.00 0.00 O ATOM 128 CB LEU A 159 -8.775 2.781 -4.076 1.00 0.00 C ATOM 129 CG LEU A 159 -7.628 2.644 -5.123 1.00 0.00 C ATOM 130 CD1 LEU A 159 -7.343 3.995 -5.737 1.00 0.00 C ATOM 131 CD2 LEU A 159 -6.334 2.121 -4.500 1.00 0.00 C ATOM 0 H LEU A 159 -7.709 0.337 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.152 1.786 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.566 3.378 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.386 3.354 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 159 -7.963 1.929 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.541 3.900 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -8.241 4.368 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -7.041 4.693 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -5.566 2.043 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -6.001 2.808 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -6.512 1.138 -4.064 1.00 0.00 H new ATOM 143 N PHE A 160 -9.584 -0.121 -5.325 1.00 0.00 N ATOM 144 CA PHE A 160 -10.266 -0.802 -6.420 1.00 0.00 C ATOM 145 C PHE A 160 -10.491 -2.270 -6.135 1.00 0.00 C ATOM 146 O PHE A 160 -10.766 -3.065 -7.046 1.00 0.00 O ATOM 147 CB PHE A 160 -9.547 -0.597 -7.757 1.00 0.00 C ATOM 148 CG PHE A 160 -9.558 0.832 -8.228 1.00 0.00 C ATOM 149 CD1 PHE A 160 -10.758 1.515 -8.378 1.00 0.00 C ATOM 150 CD2 PHE A 160 -8.379 1.495 -8.511 1.00 0.00 C ATOM 151 CE1 PHE A 160 -10.778 2.827 -8.797 1.00 0.00 C ATOM 152 CE2 PHE A 160 -8.394 2.811 -8.932 1.00 0.00 C ATOM 153 CZ PHE A 160 -9.597 3.476 -9.076 1.00 0.00 C ATOM 0 H PHE A 160 -8.603 -0.374 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.250 -0.340 -6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.514 -0.932 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -10.017 -1.225 -8.514 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -11.688 1.010 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -7.436 0.979 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -11.719 3.346 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -7.466 3.320 -9.148 1.00 0.00 H new ATOM 0 HZ PHE A 160 -9.610 4.504 -9.407 1.00 0.00 H new ATOM 163 N GLY A 161 -10.374 -2.643 -4.899 1.00 0.00 N ATOM 164 CA GLY A 161 -10.694 -3.979 -4.531 1.00 0.00 C ATOM 165 C GLY A 161 -12.171 -4.082 -4.253 1.00 0.00 C ATOM 166 O GLY A 161 -12.674 -3.430 -3.333 1.00 0.00 O ATOM 0 H GLY A 161 -10.061 -2.043 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.415 -4.665 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.125 -4.271 -3.648 1.00 0.00 H new ATOM 170 N SER A 162 -12.886 -4.831 -5.067 1.00 0.00 N ATOM 171 CA SER A 162 -14.309 -5.033 -4.871 1.00 0.00 C ATOM 172 C SER A 162 -14.517 -5.747 -3.547 1.00 0.00 C ATOM 173 O SER A 162 -15.376 -5.387 -2.746 1.00 0.00 O ATOM 174 CB SER A 162 -14.855 -5.867 -6.017 1.00 0.00 C ATOM 175 OG SER A 162 -14.496 -5.283 -7.262 1.00 0.00 O ATOM 0 H SER A 162 -12.501 -5.315 -5.878 1.00 0.00 H new ATOM 0 HA SER A 162 -14.835 -4.078 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 162 -14.463 -6.882 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 162 -15.940 -5.939 -5.940 1.00 0.00 H new ATOM 0 HG SER A 162 -14.851 -5.829 -7.994 1.00 0.00 H new ATOM 181 N ASP A 163 -13.688 -6.727 -3.321 1.00 0.00 N ATOM 182 CA ASP A 163 -13.671 -7.475 -2.109 1.00 0.00 C ATOM 183 C ASP A 163 -12.288 -8.050 -1.971 1.00 0.00 C ATOM 184 O ASP A 163 -11.709 -8.511 -2.949 1.00 0.00 O ATOM 185 CB ASP A 163 -14.724 -8.585 -2.127 1.00 0.00 C ATOM 186 CG ASP A 163 -14.755 -9.367 -0.856 1.00 0.00 C ATOM 187 OD1 ASP A 163 -15.330 -8.890 0.136 1.00 0.00 O ATOM 188 OD2 ASP A 163 -14.190 -10.448 -0.818 1.00 0.00 O ATOM 0 H ASP A 163 -12.988 -7.031 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.912 -6.834 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.706 -8.146 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.522 -9.259 -2.959 1.00 0.00 H new ATOM 193 N ASN A 164 -11.752 -8.011 -0.802 1.00 0.00 N ATOM 194 CA ASN A 164 -10.379 -8.448 -0.587 1.00 0.00 C ATOM 195 C ASN A 164 -10.293 -9.940 -0.454 1.00 0.00 C ATOM 196 O ASN A 164 -9.283 -10.544 -0.770 1.00 0.00 O ATOM 197 CB ASN A 164 -9.731 -7.723 0.602 1.00 0.00 C ATOM 198 CG ASN A 164 -8.333 -8.238 0.934 1.00 0.00 C ATOM 199 OD1 ASN A 164 -8.163 -9.101 1.804 1.00 0.00 O ATOM 200 ND2 ASN A 164 -7.344 -7.771 0.218 1.00 0.00 N ATOM 0 H ASN A 164 -12.230 -7.682 0.037 1.00 0.00 H new ATOM 0 HA ASN A 164 -9.806 -8.173 -1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -9.675 -6.657 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -10.369 -7.835 1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -6.397 -8.118 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -7.519 -7.059 -0.491 1.00 0.00 H new ATOM 207 N GLU A 165 -11.370 -10.537 -0.042 1.00 0.00 N ATOM 208 CA GLU A 165 -11.426 -11.946 0.099 1.00 0.00 C ATOM 209 C GLU A 165 -11.619 -12.558 -1.298 1.00 0.00 C ATOM 210 O GLU A 165 -11.214 -13.691 -1.570 1.00 0.00 O ATOM 211 CB GLU A 165 -12.587 -12.289 1.012 1.00 0.00 C ATOM 212 CG GLU A 165 -12.542 -13.665 1.575 1.00 0.00 C ATOM 213 CD GLU A 165 -13.768 -13.988 2.384 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.997 -13.354 3.435 1.00 0.00 O ATOM 215 OE2 GLU A 165 -14.527 -14.887 1.992 1.00 0.00 O ATOM 0 H GLU A 165 -12.233 -10.052 0.205 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.510 -12.344 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.610 -11.574 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.517 -12.167 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.445 -14.385 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.657 -13.770 2.202 1.00 0.00 H new ATOM 222 N GLU A 166 -12.238 -11.786 -2.190 1.00 0.00 N ATOM 223 CA GLU A 166 -12.426 -12.217 -3.551 1.00 0.00 C ATOM 224 C GLU A 166 -11.109 -12.067 -4.320 1.00 0.00 C ATOM 225 O GLU A 166 -10.679 -12.970 -5.044 1.00 0.00 O ATOM 226 CB GLU A 166 -13.655 -11.488 -4.214 1.00 0.00 C ATOM 227 CG GLU A 166 -13.452 -10.137 -4.926 1.00 0.00 C ATOM 228 CD GLU A 166 -12.877 -10.227 -6.326 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.544 -10.789 -7.212 1.00 0.00 O ATOM 230 OE2 GLU A 166 -11.778 -9.708 -6.580 1.00 0.00 O ATOM 0 H GLU A 166 -12.614 -10.861 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.684 -13.276 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -14.088 -12.176 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.402 -11.336 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.412 -9.623 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -12.791 -9.519 -4.318 1.00 0.00 H new ATOM 237 N GLU A 167 -10.460 -10.930 -4.123 1.00 0.00 N ATOM 238 CA GLU A 167 -9.184 -10.616 -4.743 1.00 0.00 C ATOM 239 C GLU A 167 -8.011 -11.186 -3.932 1.00 0.00 C ATOM 240 O GLU A 167 -6.848 -10.814 -4.124 1.00 0.00 O ATOM 241 CB GLU A 167 -9.083 -9.129 -4.929 1.00 0.00 C ATOM 242 CG GLU A 167 -7.924 -8.667 -5.785 1.00 0.00 C ATOM 243 CD GLU A 167 -8.097 -7.263 -6.257 1.00 0.00 C ATOM 244 OE1 GLU A 167 -8.431 -6.381 -5.441 1.00 0.00 O ATOM 245 OE2 GLU A 167 -7.921 -7.020 -7.472 1.00 0.00 O ATOM 0 H GLU A 167 -10.812 -10.188 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.128 -11.091 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.010 -8.770 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.000 -8.660 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -6.999 -8.745 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.824 -9.328 -6.646 1.00 0.00 H new ATOM 252 N ASP A 168 -8.336 -12.111 -3.059 1.00 0.00 N ATOM 253 CA ASP A 168 -7.368 -12.859 -2.226 1.00 0.00 C ATOM 254 C ASP A 168 -6.225 -13.397 -3.082 1.00 0.00 C ATOM 255 O ASP A 168 -5.071 -13.449 -2.648 1.00 0.00 O ATOM 256 CB ASP A 168 -8.086 -14.005 -1.517 1.00 0.00 C ATOM 257 CG ASP A 168 -7.178 -14.877 -0.698 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.790 -14.484 0.409 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.857 -16.005 -1.142 1.00 0.00 O ATOM 0 H ASP A 168 -9.303 -12.386 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.945 -12.185 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.858 -13.591 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.591 -14.621 -2.261 1.00 0.00 H new ATOM 264 N LYS A 169 -6.571 -13.746 -4.326 1.00 0.00 N ATOM 265 CA LYS A 169 -5.611 -14.155 -5.336 1.00 0.00 C ATOM 266 C LYS A 169 -4.468 -13.125 -5.459 1.00 0.00 C ATOM 267 O LYS A 169 -3.321 -13.454 -5.237 1.00 0.00 O ATOM 268 CB LYS A 169 -6.301 -14.345 -6.711 1.00 0.00 C ATOM 269 CG LYS A 169 -7.258 -13.201 -7.096 1.00 0.00 C ATOM 270 CD LYS A 169 -7.495 -13.074 -8.583 1.00 0.00 C ATOM 271 CE LYS A 169 -6.200 -12.801 -9.367 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.447 -12.628 -10.815 1.00 0.00 N ATOM 0 H LYS A 169 -7.537 -13.750 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.189 -15.110 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.535 -14.438 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.858 -15.282 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.215 -13.358 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.854 -12.261 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.953 -13.991 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.204 -12.266 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.721 -11.905 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.505 -13.627 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.546 -12.446 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.880 -13.492 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.089 -11.824 -10.964 1.00 0.00 H new ATOM 286 N GLU A 170 -4.806 -11.862 -5.719 1.00 0.00 N ATOM 287 CA GLU A 170 -3.811 -10.847 -5.917 1.00 0.00 C ATOM 288 C GLU A 170 -3.270 -10.330 -4.650 1.00 0.00 C ATOM 289 O GLU A 170 -2.159 -9.839 -4.633 1.00 0.00 O ATOM 290 CB GLU A 170 -4.267 -9.737 -6.824 1.00 0.00 C ATOM 291 CG GLU A 170 -3.811 -9.941 -8.244 1.00 0.00 C ATOM 292 CD GLU A 170 -4.431 -8.975 -9.205 1.00 0.00 C ATOM 293 OE1 GLU A 170 -3.876 -7.895 -9.401 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.483 -9.285 -9.789 1.00 0.00 O ATOM 0 H GLU A 170 -5.768 -11.532 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.991 -11.345 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.355 -9.673 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.883 -8.786 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.726 -9.843 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -4.052 -10.958 -8.554 1.00 0.00 H new ATOM 301 N ALA A 171 -4.035 -10.445 -3.586 1.00 0.00 N ATOM 302 CA ALA A 171 -3.547 -10.071 -2.285 1.00 0.00 C ATOM 303 C ALA A 171 -2.269 -10.855 -2.006 1.00 0.00 C ATOM 304 O ALA A 171 -1.252 -10.282 -1.688 1.00 0.00 O ATOM 305 CB ALA A 171 -4.602 -10.337 -1.220 1.00 0.00 C ATOM 0 H ALA A 171 -4.993 -10.794 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.329 -9.003 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.214 -10.048 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.497 -9.756 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.851 -11.398 -1.212 1.00 0.00 H new ATOM 311 N ALA A 172 -2.327 -12.154 -2.254 1.00 0.00 N ATOM 312 CA ALA A 172 -1.205 -13.038 -2.072 1.00 0.00 C ATOM 313 C ALA A 172 -0.196 -12.935 -3.233 1.00 0.00 C ATOM 314 O ALA A 172 1.015 -12.931 -3.001 1.00 0.00 O ATOM 315 CB ALA A 172 -1.700 -14.462 -1.914 1.00 0.00 C ATOM 0 H ALA A 172 -3.168 -12.622 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.678 -12.736 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.849 -15.130 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.355 -14.525 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.252 -14.757 -2.807 1.00 0.00 H new ATOM 321 N GLN A 173 -0.693 -12.862 -4.471 1.00 0.00 N ATOM 322 CA GLN A 173 0.164 -12.771 -5.658 1.00 0.00 C ATOM 323 C GLN A 173 1.007 -11.514 -5.712 1.00 0.00 C ATOM 324 O GLN A 173 2.232 -11.610 -5.751 1.00 0.00 O ATOM 325 CB GLN A 173 -0.634 -12.924 -6.919 1.00 0.00 C ATOM 326 CG GLN A 173 -1.082 -14.341 -7.137 1.00 0.00 C ATOM 327 CD GLN A 173 -1.859 -14.529 -8.393 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.561 -13.630 -8.858 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.731 -15.679 -8.965 1.00 0.00 N ATOM 0 H GLN A 173 -1.692 -12.864 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 173 0.863 -13.603 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.506 -12.271 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -0.034 -12.599 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.208 -14.991 -7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.692 -14.656 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -1.139 -16.395 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.222 -15.872 -9.838 1.00 0.00 H new ATOM 338 N LEU A 174 0.360 -10.340 -5.712 1.00 0.00 N ATOM 339 CA LEU A 174 1.077 -9.047 -5.713 1.00 0.00 C ATOM 340 C LEU A 174 2.052 -9.013 -4.582 1.00 0.00 C ATOM 341 O LEU A 174 3.208 -8.636 -4.755 1.00 0.00 O ATOM 342 CB LEU A 174 0.102 -7.897 -5.528 1.00 0.00 C ATOM 343 CG LEU A 174 -0.917 -7.722 -6.625 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.995 -6.746 -6.176 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.251 -7.201 -7.880 1.00 0.00 C ATOM 0 H LEU A 174 -0.656 -10.254 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 174 1.592 -8.944 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.427 -8.041 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.672 -6.973 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.371 -8.689 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.729 -6.623 -6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.488 -7.134 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.541 -5.781 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.998 -7.079 -8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.216 -6.239 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.509 -7.910 -8.210 1.00 0.00 H new ATOM 357 N ARG A 175 1.571 -9.430 -3.434 1.00 0.00 N ATOM 358 CA ARG A 175 2.366 -9.509 -2.228 1.00 0.00 C ATOM 359 C ARG A 175 3.665 -10.291 -2.452 1.00 0.00 C ATOM 360 O ARG A 175 4.758 -9.724 -2.320 1.00 0.00 O ATOM 361 CB ARG A 175 1.540 -10.169 -1.149 1.00 0.00 C ATOM 362 CG ARG A 175 2.228 -10.432 0.157 1.00 0.00 C ATOM 363 CD ARG A 175 1.320 -11.253 1.032 1.00 0.00 C ATOM 364 NE ARG A 175 1.907 -11.536 2.340 1.00 0.00 N ATOM 365 CZ ARG A 175 1.536 -12.533 3.147 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.566 -13.369 2.782 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.146 -12.696 4.311 1.00 0.00 N ATOM 0 H ARG A 175 0.604 -9.728 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 175 2.647 -8.500 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.669 -9.542 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.170 -11.118 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.167 -10.960 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.475 -9.491 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.376 -10.724 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.090 -12.193 0.530 1.00 0.00 H new ATOM 0 HE ARG A 175 2.658 -10.925 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.102 -13.250 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.287 -14.129 3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 175 2.895 -12.062 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 175 1.866 -13.456 4.931 1.00 0.00 H new ATOM 381 N GLU A 176 3.541 -11.556 -2.859 1.00 0.00 N ATOM 382 CA GLU A 176 4.691 -12.438 -2.970 1.00 0.00 C ATOM 383 C GLU A 176 5.682 -11.949 -4.013 1.00 0.00 C ATOM 384 O GLU A 176 6.890 -11.993 -3.797 1.00 0.00 O ATOM 385 CB GLU A 176 4.248 -13.911 -3.188 1.00 0.00 C ATOM 386 CG GLU A 176 3.782 -14.329 -4.602 1.00 0.00 C ATOM 387 CD GLU A 176 4.929 -14.778 -5.497 1.00 0.00 C ATOM 388 OE1 GLU A 176 5.957 -15.217 -4.978 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.819 -14.692 -6.744 1.00 0.00 O ATOM 0 H GLU A 176 2.653 -11.987 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 176 5.227 -12.413 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.081 -14.555 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.435 -14.121 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 176 3.057 -15.139 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.268 -13.490 -5.072 1.00 0.00 H new ATOM 396 N GLU A 177 5.175 -11.418 -5.107 1.00 0.00 N ATOM 397 CA GLU A 177 6.035 -10.949 -6.167 1.00 0.00 C ATOM 398 C GLU A 177 6.810 -9.719 -5.742 1.00 0.00 C ATOM 399 O GLU A 177 8.025 -9.670 -5.883 1.00 0.00 O ATOM 400 CB GLU A 177 5.249 -10.670 -7.443 1.00 0.00 C ATOM 401 CG GLU A 177 4.492 -11.872 -7.942 1.00 0.00 C ATOM 402 CD GLU A 177 3.896 -11.687 -9.306 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.799 -11.101 -9.427 1.00 0.00 O ATOM 404 OE2 GLU A 177 4.521 -12.155 -10.295 1.00 0.00 O ATOM 0 H GLU A 177 4.177 -11.302 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 177 6.748 -11.746 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.548 -9.856 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.935 -10.332 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.164 -12.730 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.695 -12.107 -7.236 1.00 0.00 H new ATOM 411 N ARG A 178 6.120 -8.760 -5.162 1.00 0.00 N ATOM 412 CA ARG A 178 6.735 -7.495 -4.786 1.00 0.00 C ATOM 413 C ARG A 178 7.729 -7.660 -3.637 1.00 0.00 C ATOM 414 O ARG A 178 8.797 -7.030 -3.646 1.00 0.00 O ATOM 415 CB ARG A 178 5.669 -6.448 -4.488 1.00 0.00 C ATOM 416 CG ARG A 178 4.778 -6.170 -5.697 1.00 0.00 C ATOM 417 CD ARG A 178 3.588 -5.302 -5.349 1.00 0.00 C ATOM 418 NE ARG A 178 3.950 -3.925 -5.021 1.00 0.00 N ATOM 419 CZ ARG A 178 3.330 -3.176 -4.103 1.00 0.00 C ATOM 420 NH1 ARG A 178 2.478 -3.729 -3.238 1.00 0.00 N ATOM 421 NH2 ARG A 178 3.587 -1.887 -4.028 1.00 0.00 N ATOM 0 H ARG A 178 5.127 -8.829 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 178 7.317 -7.138 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.053 -6.787 -3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.150 -5.522 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.366 -5.681 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.426 -7.115 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.893 -5.297 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.061 -5.743 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 178 4.730 -3.506 -5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.295 -4.732 -3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 178 2.010 -3.149 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 178 4.257 -1.462 -4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 178 3.116 -1.313 -3.329 1.00 0.00 H new ATOM 435 N LEU A 179 7.423 -8.544 -2.684 1.00 0.00 N ATOM 436 CA LEU A 179 8.347 -8.788 -1.579 1.00 0.00 C ATOM 437 C LEU A 179 9.585 -9.534 -2.066 1.00 0.00 C ATOM 438 O LEU A 179 10.681 -9.394 -1.503 1.00 0.00 O ATOM 439 CB LEU A 179 7.655 -9.482 -0.363 1.00 0.00 C ATOM 440 CG LEU A 179 7.016 -10.881 -0.561 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.046 -11.994 -0.616 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.010 -11.161 0.528 1.00 0.00 C ATOM 0 H LEU A 179 6.562 -9.091 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 179 8.680 -7.820 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.395 -9.568 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 179 6.875 -8.812 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 179 6.512 -10.861 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.541 -12.950 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.728 -11.818 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.610 -12.014 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.571 -12.147 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 179 6.506 -11.133 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.224 -10.406 0.500 1.00 0.00 H new ATOM 454 N ARG A 180 9.415 -10.331 -3.118 1.00 0.00 N ATOM 455 CA ARG A 180 10.536 -11.013 -3.712 1.00 0.00 C ATOM 456 C ARG A 180 11.361 -10.076 -4.524 1.00 0.00 C ATOM 457 O ARG A 180 12.554 -10.204 -4.545 1.00 0.00 O ATOM 458 CB ARG A 180 10.150 -12.210 -4.547 1.00 0.00 C ATOM 459 CG ARG A 180 9.732 -13.417 -3.751 1.00 0.00 C ATOM 460 CD ARG A 180 9.526 -14.603 -4.660 1.00 0.00 C ATOM 461 NE ARG A 180 8.409 -14.423 -5.587 1.00 0.00 N ATOM 462 CZ ARG A 180 8.500 -14.245 -6.908 1.00 0.00 C ATOM 463 NH1 ARG A 180 9.683 -14.031 -7.495 1.00 0.00 N ATOM 464 NH2 ARG A 180 7.392 -14.246 -7.634 1.00 0.00 N ATOM 0 H ARG A 180 8.516 -10.512 -3.565 1.00 0.00 H new ATOM 0 HA ARG A 180 11.122 -11.391 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.332 -11.926 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.994 -12.483 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.493 -13.650 -3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.811 -13.202 -3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 180 10.439 -14.781 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.349 -15.492 -4.055 1.00 0.00 H new ATOM 0 HE ARG A 180 7.471 -14.434 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 180 10.533 -14.002 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 180 9.734 -13.897 -8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.487 -14.381 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.444 -14.111 -8.644 1.00 0.00 H new ATOM 478 N GLN A 181 10.721 -9.128 -5.188 1.00 0.00 N ATOM 479 CA GLN A 181 11.430 -8.098 -5.952 1.00 0.00 C ATOM 480 C GLN A 181 12.425 -7.378 -5.060 1.00 0.00 C ATOM 481 O GLN A 181 13.581 -7.207 -5.418 1.00 0.00 O ATOM 482 CB GLN A 181 10.444 -7.108 -6.572 1.00 0.00 C ATOM 483 CG GLN A 181 9.593 -7.694 -7.676 1.00 0.00 C ATOM 484 CD GLN A 181 8.543 -6.732 -8.171 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.716 -5.516 -8.120 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.460 -7.259 -8.650 1.00 0.00 N ATOM 0 H GLN A 181 9.705 -9.045 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 181 11.976 -8.581 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.790 -6.724 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.000 -6.258 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 181 10.234 -7.986 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.108 -8.601 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.354 -8.273 -8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.714 -6.660 -9.002 1.00 0.00 H new ATOM 495 N TYR A 182 11.975 -7.042 -3.878 1.00 0.00 N ATOM 496 CA TYR A 182 12.785 -6.383 -2.867 1.00 0.00 C ATOM 497 C TYR A 182 14.022 -7.251 -2.535 1.00 0.00 C ATOM 498 O TYR A 182 15.162 -6.760 -2.478 1.00 0.00 O ATOM 499 CB TYR A 182 11.899 -6.172 -1.633 1.00 0.00 C ATOM 500 CG TYR A 182 12.495 -5.367 -0.506 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.752 -4.013 -0.658 1.00 0.00 C ATOM 502 CD2 TYR A 182 12.750 -5.950 0.730 1.00 0.00 C ATOM 503 CE1 TYR A 182 13.248 -3.263 0.384 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.255 -5.206 1.777 1.00 0.00 C ATOM 505 CZ TYR A 182 13.500 -3.863 1.597 1.00 0.00 C ATOM 506 OH TYR A 182 13.979 -3.102 2.648 1.00 0.00 O ATOM 0 H TYR A 182 11.016 -7.220 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 182 13.153 -5.421 -3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.980 -5.682 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.619 -7.150 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.560 -3.539 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.550 -7.002 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 182 13.439 -2.208 0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 182 13.456 -5.673 2.730 1.00 0.00 H new ATOM 0 HH TYR A 182 14.104 -3.673 3.435 1.00 0.00 H new ATOM 516 N ALA A 183 13.790 -8.545 -2.406 1.00 0.00 N ATOM 517 CA ALA A 183 14.830 -9.495 -2.078 1.00 0.00 C ATOM 518 C ALA A 183 15.775 -9.733 -3.257 1.00 0.00 C ATOM 519 O ALA A 183 16.975 -9.471 -3.162 1.00 0.00 O ATOM 520 CB ALA A 183 14.206 -10.812 -1.652 1.00 0.00 C ATOM 0 H ALA A 183 12.869 -8.966 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 183 15.415 -9.077 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.993 -11.525 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.576 -10.650 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.600 -11.208 -2.467 1.00 0.00 H new ATOM 526 N GLU A 184 15.200 -10.175 -4.368 1.00 0.00 N ATOM 527 CA GLU A 184 15.922 -10.576 -5.575 1.00 0.00 C ATOM 528 C GLU A 184 16.771 -9.459 -6.149 1.00 0.00 C ATOM 529 O GLU A 184 17.919 -9.700 -6.566 1.00 0.00 O ATOM 530 CB GLU A 184 14.937 -11.104 -6.627 1.00 0.00 C ATOM 531 CG GLU A 184 14.217 -12.383 -6.199 1.00 0.00 C ATOM 532 CD GLU A 184 13.132 -12.829 -7.164 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.127 -12.393 -8.332 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.271 -13.660 -6.770 1.00 0.00 O ATOM 0 H GLU A 184 14.188 -10.268 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 184 16.609 -11.373 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.196 -10.333 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.476 -11.293 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 184 14.949 -13.184 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.774 -12.227 -5.215 1.00 0.00 H new ATOM 541 N LYS A 185 16.236 -8.244 -6.155 1.00 0.00 N ATOM 542 CA LYS A 185 16.966 -7.106 -6.668 1.00 0.00 C ATOM 543 C LYS A 185 18.182 -6.822 -5.818 1.00 0.00 C ATOM 544 O LYS A 185 19.287 -6.868 -6.311 1.00 0.00 O ATOM 545 CB LYS A 185 16.085 -5.858 -6.768 1.00 0.00 C ATOM 546 CG LYS A 185 14.983 -5.950 -7.810 1.00 0.00 C ATOM 547 CD LYS A 185 14.059 -4.746 -7.749 1.00 0.00 C ATOM 548 CE LYS A 185 12.929 -4.846 -8.765 1.00 0.00 C ATOM 549 NZ LYS A 185 13.406 -4.797 -10.169 1.00 0.00 N ATOM 0 H LYS A 185 15.301 -8.028 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 185 17.292 -7.362 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 185 15.633 -5.668 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.716 -5.000 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.425 -6.021 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.406 -6.861 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.640 -4.661 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 185 14.633 -3.838 -7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.385 -5.777 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.224 -4.031 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 12.589 -4.767 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.988 -3.947 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.975 -5.643 -10.372 1.00 0.00 H new ATOM 563 N LYS A 186 17.981 -6.634 -4.520 1.00 0.00 N ATOM 564 CA LYS A 186 19.079 -6.255 -3.617 1.00 0.00 C ATOM 565 C LYS A 186 20.038 -7.417 -3.309 1.00 0.00 C ATOM 566 O LYS A 186 21.026 -7.248 -2.576 1.00 0.00 O ATOM 567 CB LYS A 186 18.585 -5.591 -2.315 1.00 0.00 C ATOM 568 CG LYS A 186 18.085 -4.140 -2.456 1.00 0.00 C ATOM 569 CD LYS A 186 16.889 -4.033 -3.386 1.00 0.00 C ATOM 570 CE LYS A 186 16.273 -2.639 -3.392 1.00 0.00 C ATOM 571 NZ LYS A 186 17.180 -1.617 -3.964 1.00 0.00 N ATOM 0 H LYS A 186 17.075 -6.735 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 186 19.647 -5.507 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.777 -6.196 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 186 19.398 -5.607 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.815 -3.754 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 186 18.894 -3.514 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 186 17.196 -4.294 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 186 16.133 -4.759 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 186 15.346 -2.658 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 186 16.011 -2.357 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 16.740 -0.678 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 18.081 -1.624 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.356 -1.831 -4.966 1.00 0.00 H new ATOM 585 N ALA A 187 19.710 -8.595 -3.791 1.00 0.00 N ATOM 586 CA ALA A 187 20.591 -9.739 -3.651 1.00 0.00 C ATOM 587 C ALA A 187 21.617 -9.736 -4.782 1.00 0.00 C ATOM 588 O ALA A 187 22.802 -9.989 -4.571 1.00 0.00 O ATOM 589 CB ALA A 187 19.794 -11.037 -3.658 1.00 0.00 C ATOM 0 H ALA A 187 18.839 -8.789 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 187 21.111 -9.669 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.474 -11.882 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.087 -11.034 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.250 -11.125 -4.598 1.00 0.00 H new ATOM 595 N LYS A 188 21.153 -9.403 -5.973 1.00 0.00 N ATOM 596 CA LYS A 188 22.000 -9.370 -7.155 1.00 0.00 C ATOM 597 C LYS A 188 22.690 -8.012 -7.250 1.00 0.00 C ATOM 598 O LYS A 188 23.880 -7.903 -7.568 1.00 0.00 O ATOM 599 CB LYS A 188 21.136 -9.606 -8.392 1.00 0.00 C ATOM 600 CG LYS A 188 21.895 -9.662 -9.711 1.00 0.00 C ATOM 601 CD LYS A 188 20.946 -9.862 -10.887 1.00 0.00 C ATOM 602 CE LYS A 188 20.019 -8.664 -11.084 1.00 0.00 C ATOM 603 NZ LYS A 188 19.037 -8.899 -12.157 1.00 0.00 N ATOM 0 H LYS A 188 20.181 -9.148 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 188 22.760 -10.148 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.593 -10.542 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.392 -8.812 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 188 22.459 -8.739 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 188 22.619 -10.476 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.525 -10.026 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.349 -10.759 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.495 -8.454 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 188 20.612 -7.781 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 18.427 -8.063 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.536 -9.074 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 18.453 -9.726 -11.918 1.00 0.00 H new ATOM 617 N LYS A 189 21.937 -6.993 -6.979 1.00 0.00 N ATOM 618 CA LYS A 189 22.401 -5.632 -6.990 1.00 0.00 C ATOM 619 C LYS A 189 22.933 -5.360 -5.583 1.00 0.00 C ATOM 620 O LYS A 189 22.552 -6.070 -4.654 1.00 0.00 O ATOM 621 CB LYS A 189 21.185 -4.734 -7.280 1.00 0.00 C ATOM 622 CG LYS A 189 21.460 -3.302 -7.680 1.00 0.00 C ATOM 623 CD LYS A 189 20.158 -2.559 -7.921 1.00 0.00 C ATOM 624 CE LYS A 189 20.388 -1.182 -8.517 1.00 0.00 C ATOM 625 NZ LYS A 189 20.959 -1.247 -9.882 1.00 0.00 N ATOM 0 H LYS A 189 20.951 -7.083 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 189 23.173 -5.445 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.603 -5.200 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 189 20.556 -4.721 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.031 -2.803 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 189 22.070 -3.281 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 189 19.527 -3.143 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.618 -2.460 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 189 19.443 -0.639 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 189 21.060 -0.617 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 20.879 -0.315 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 21.961 -1.520 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 20.439 -1.951 -10.443 1.00 0.00 H new ATOM 639 N PRO A 190 23.859 -4.416 -5.396 1.00 0.00 N ATOM 640 CA PRO A 190 24.304 -4.032 -4.057 1.00 0.00 C ATOM 641 C PRO A 190 23.119 -3.492 -3.247 1.00 0.00 C ATOM 642 O PRO A 190 22.088 -3.086 -3.828 1.00 0.00 O ATOM 643 CB PRO A 190 25.332 -2.922 -4.325 1.00 0.00 C ATOM 644 CG PRO A 190 25.783 -3.168 -5.724 1.00 0.00 C ATOM 645 CD PRO A 190 24.575 -3.680 -6.443 1.00 0.00 C ATOM 0 HA PRO A 190 24.720 -4.860 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 190 24.886 -1.933 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 190 26.165 -2.973 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 190 26.156 -2.253 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.596 -3.894 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 190 23.973 -2.868 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 190 24.845 -4.326 -7.278 1.00 0.00 H new ATOM 653 N ALA A 191 23.235 -3.498 -1.938 1.00 0.00 N ATOM 654 CA ALA A 191 22.155 -3.053 -1.084 1.00 0.00 C ATOM 655 C ALA A 191 22.016 -1.534 -1.105 1.00 0.00 C ATOM 656 O ALA A 191 22.589 -0.823 -0.268 1.00 0.00 O ATOM 657 CB ALA A 191 22.320 -3.585 0.335 1.00 0.00 C ATOM 0 H ALA A 191 24.069 -3.807 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 191 21.227 -3.465 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 191 21.494 -3.234 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 191 22.322 -4.675 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 191 23.262 -3.227 0.751 1.00 0.00 H new ATOM 663 N LEU A 192 21.341 -1.063 -2.117 1.00 0.00 N ATOM 664 CA LEU A 192 21.059 0.316 -2.339 1.00 0.00 C ATOM 665 C LEU A 192 19.745 0.424 -3.083 1.00 0.00 C ATOM 666 O LEU A 192 19.556 -0.294 -4.082 1.00 0.00 O ATOM 667 CB LEU A 192 22.258 1.056 -3.029 1.00 0.00 C ATOM 668 CG LEU A 192 22.925 0.412 -4.280 1.00 0.00 C ATOM 669 CD1 LEU A 192 22.094 0.573 -5.545 1.00 0.00 C ATOM 670 CD2 LEU A 192 24.325 0.971 -4.484 1.00 0.00 C ATOM 671 OXT LEU A 192 18.857 1.166 -2.635 1.00 0.00 O ATOM 0 H LEU A 192 20.956 -1.667 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 192 20.944 0.837 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 192 21.911 2.048 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 192 23.035 1.195 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 192 22.990 -0.658 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 192 22.611 0.104 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 192 21.123 0.097 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 192 21.952 1.633 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 192 24.776 0.510 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 192 24.268 2.050 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 192 24.935 0.754 -3.607 1.00 0.00 H new TER 683 LEU A 192