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 Set 1.1: A 181 GLN : amide:sc= 0.0666 X(o=0.13,f=-0.37) USER MOD Set 1.2: A 185 LYS NZ :NH3+ 155:sc= 0.0624 (180deg=0) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.89) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.42) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ -169:sc= -0.022 (180deg=-0.21) USER MOD Single : A 189 LYS NZ :NH3+ 164:sc= 0.947 (180deg=0.418) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -1.457 2.812 -28.621 1.00 0.00 N ATOM 2 CA GLY A 149 -1.928 4.139 -28.999 1.00 0.00 C ATOM 3 C GLY A 149 -1.980 5.035 -27.795 1.00 0.00 C ATOM 4 O GLY A 149 -1.120 4.899 -26.910 1.00 0.00 O ATOM 0 HA2 GLY A 149 -1.265 4.567 -29.751 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -2.918 4.066 -29.450 1.00 0.00 H new ATOM 10 N PRO A 150 -2.970 5.968 -27.717 1.00 0.00 N ATOM 11 CA PRO A 150 -3.136 6.862 -26.559 1.00 0.00 C ATOM 12 C PRO A 150 -3.240 6.060 -25.272 1.00 0.00 C ATOM 13 O PRO A 150 -4.093 5.163 -25.166 1.00 0.00 O ATOM 14 CB PRO A 150 -4.462 7.590 -26.838 1.00 0.00 C ATOM 15 CG PRO A 150 -5.098 6.867 -27.975 1.00 0.00 C ATOM 16 CD PRO A 150 -3.989 6.233 -28.750 1.00 0.00 C ATOM 0 HA PRO A 150 -2.294 7.543 -26.434 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -5.106 7.577 -25.959 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -4.287 8.636 -27.090 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -5.798 6.114 -27.613 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -5.666 7.554 -28.602 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -4.313 5.316 -29.241 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -3.611 6.895 -29.529 1.00 0.00 H new ATOM 24 N GLY A 151 -2.384 6.364 -24.317 1.00 0.00 N ATOM 25 CA GLY A 151 -2.297 5.591 -23.104 1.00 0.00 C ATOM 26 C GLY A 151 -3.172 6.088 -21.988 1.00 0.00 C ATOM 27 O GLY A 151 -4.050 6.935 -22.201 1.00 0.00 O ATOM 0 H GLY A 151 -1.735 7.149 -24.363 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.564 4.558 -23.326 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.262 5.587 -22.763 1.00 0.00 H new ATOM 31 N SER A 152 -2.945 5.519 -20.804 1.00 0.00 N ATOM 32 CA SER A 152 -3.636 5.839 -19.555 1.00 0.00 C ATOM 33 C SER A 152 -5.106 5.373 -19.532 1.00 0.00 C ATOM 34 O SER A 152 -5.480 4.549 -18.693 1.00 0.00 O ATOM 35 CB SER A 152 -3.513 7.334 -19.225 1.00 0.00 C ATOM 36 OG SER A 152 -2.143 7.728 -19.199 1.00 0.00 O ATOM 0 H SER A 152 -2.242 4.789 -20.684 1.00 0.00 H new ATOM 0 HA SER A 152 -3.133 5.271 -18.772 1.00 0.00 H new ATOM 0 HB2 SER A 152 -4.053 7.922 -19.967 1.00 0.00 H new ATOM 0 HB3 SER A 152 -3.975 7.539 -18.259 1.00 0.00 H new ATOM 0 HG SER A 152 -2.081 8.683 -18.989 1.00 0.00 H new ATOM 42 N GLU A 153 -5.886 5.848 -20.487 1.00 0.00 N ATOM 43 CA GLU A 153 -7.339 5.647 -20.554 1.00 0.00 C ATOM 44 C GLU A 153 -7.750 4.179 -20.504 1.00 0.00 C ATOM 45 O GLU A 153 -8.593 3.795 -19.710 1.00 0.00 O ATOM 46 CB GLU A 153 -7.892 6.296 -21.811 1.00 0.00 C ATOM 47 CG GLU A 153 -7.517 7.757 -21.949 1.00 0.00 C ATOM 48 CD GLU A 153 -8.174 8.415 -23.123 1.00 0.00 C ATOM 49 OE1 GLU A 153 -7.778 8.155 -24.272 1.00 0.00 O ATOM 50 OE2 GLU A 153 -9.096 9.215 -22.913 1.00 0.00 O ATOM 0 H GLU A 153 -5.524 6.401 -21.264 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.761 6.119 -19.667 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -7.528 5.751 -22.682 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -8.978 6.206 -21.810 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -7.796 8.287 -21.038 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -6.435 7.842 -22.049 1.00 0.00 H new ATOM 57 N ASP A 154 -7.160 3.372 -21.337 1.00 0.00 N ATOM 58 CA ASP A 154 -7.504 1.954 -21.375 1.00 0.00 C ATOM 59 C ASP A 154 -6.351 1.126 -20.844 1.00 0.00 C ATOM 60 O ASP A 154 -6.542 0.062 -20.245 1.00 0.00 O ATOM 61 CB ASP A 154 -7.842 1.523 -22.804 1.00 0.00 C ATOM 62 CG ASP A 154 -8.467 0.144 -22.879 1.00 0.00 C ATOM 63 OD1 ASP A 154 -7.743 -0.862 -22.941 1.00 0.00 O ATOM 64 OD2 ASP A 154 -9.711 0.052 -22.892 1.00 0.00 O ATOM 0 H ASP A 154 -6.440 3.656 -22.002 1.00 0.00 H new ATOM 0 HA ASP A 154 -8.379 1.792 -20.746 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -8.526 2.249 -23.244 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -6.933 1.536 -23.405 1.00 0.00 H new ATOM 69 N ASP A 155 -5.143 1.636 -21.053 1.00 0.00 N ATOM 70 CA ASP A 155 -3.916 0.960 -20.617 1.00 0.00 C ATOM 71 C ASP A 155 -3.852 0.814 -19.116 1.00 0.00 C ATOM 72 O ASP A 155 -3.481 -0.243 -18.610 1.00 0.00 O ATOM 73 CB ASP A 155 -2.636 1.675 -21.095 1.00 0.00 C ATOM 74 CG ASP A 155 -2.359 1.547 -22.576 1.00 0.00 C ATOM 75 OD1 ASP A 155 -1.809 0.515 -23.010 1.00 0.00 O ATOM 76 OD2 ASP A 155 -2.670 2.482 -23.330 1.00 0.00 O ATOM 0 H ASP A 155 -4.981 2.525 -21.526 1.00 0.00 H new ATOM 0 HA ASP A 155 -3.959 -0.026 -21.079 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -2.711 2.733 -20.843 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -1.785 1.275 -20.544 1.00 0.00 H new ATOM 81 N ASP A 156 -4.223 1.853 -18.408 1.00 0.00 N ATOM 82 CA ASP A 156 -4.120 1.847 -16.955 1.00 0.00 C ATOM 83 C ASP A 156 -5.475 1.790 -16.316 1.00 0.00 C ATOM 84 O ASP A 156 -5.752 0.895 -15.511 1.00 0.00 O ATOM 85 CB ASP A 156 -3.381 3.088 -16.436 1.00 0.00 C ATOM 86 CG ASP A 156 -1.951 3.180 -16.890 1.00 0.00 C ATOM 87 OD1 ASP A 156 -1.068 2.565 -16.262 1.00 0.00 O ATOM 88 OD2 ASP A 156 -1.680 3.906 -17.871 1.00 0.00 O ATOM 0 H ASP A 156 -4.599 2.714 -18.805 1.00 0.00 H new ATOM 0 HA ASP A 156 -3.553 0.956 -16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -3.914 3.980 -16.765 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -3.406 3.085 -15.346 1.00 0.00 H new ATOM 93 N ILE A 157 -6.317 2.747 -16.675 1.00 0.00 N ATOM 94 CA ILE A 157 -7.643 2.884 -16.102 1.00 0.00 C ATOM 95 C ILE A 157 -8.490 1.636 -16.354 1.00 0.00 C ATOM 96 O ILE A 157 -8.572 1.121 -17.485 1.00 0.00 O ATOM 97 CB ILE A 157 -8.369 4.174 -16.606 1.00 0.00 C ATOM 98 CG1 ILE A 157 -7.542 5.422 -16.231 1.00 0.00 C ATOM 99 CG2 ILE A 157 -9.787 4.279 -16.024 1.00 0.00 C ATOM 100 CD1 ILE A 157 -8.138 6.734 -16.707 1.00 0.00 C ATOM 0 H ILE A 157 -6.096 3.454 -17.377 1.00 0.00 H new ATOM 0 HA ILE A 157 -7.516 2.989 -15.025 1.00 0.00 H new ATOM 0 HB ILE A 157 -8.458 4.114 -17.691 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -7.433 5.458 -15.147 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.541 5.319 -16.649 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -10.266 5.186 -16.393 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -10.371 3.411 -16.329 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -9.732 4.315 -14.936 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -7.494 7.558 -16.401 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -8.222 6.723 -17.794 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -9.127 6.865 -16.268 1.00 0.00 H new ATOM 112 N ASP A 158 -9.058 1.143 -15.292 1.00 0.00 N ATOM 113 CA ASP A 158 -9.892 -0.040 -15.287 1.00 0.00 C ATOM 114 C ASP A 158 -11.302 0.292 -15.805 1.00 0.00 C ATOM 115 O ASP A 158 -11.690 1.465 -15.830 1.00 0.00 O ATOM 116 CB ASP A 158 -9.928 -0.593 -13.852 1.00 0.00 C ATOM 117 CG ASP A 158 -10.847 -1.755 -13.683 1.00 0.00 C ATOM 118 OD1 ASP A 158 -10.555 -2.837 -14.226 1.00 0.00 O ATOM 119 OD2 ASP A 158 -11.898 -1.588 -13.048 1.00 0.00 O ATOM 0 H ASP A 158 -8.954 1.564 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 158 -9.482 -0.798 -15.954 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -8.921 -0.892 -13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -10.233 0.203 -13.172 1.00 0.00 H new ATOM 124 N LEU A 159 -12.056 -0.729 -16.234 1.00 0.00 N ATOM 125 CA LEU A 159 -13.412 -0.531 -16.752 1.00 0.00 C ATOM 126 C LEU A 159 -14.292 0.048 -15.647 1.00 0.00 C ATOM 127 O LEU A 159 -14.992 1.042 -15.857 1.00 0.00 O ATOM 128 CB LEU A 159 -13.978 -1.872 -17.316 1.00 0.00 C ATOM 129 CG LEU A 159 -15.329 -1.859 -18.104 1.00 0.00 C ATOM 130 CD1 LEU A 159 -16.542 -1.637 -17.204 1.00 0.00 C ATOM 131 CD2 LEU A 159 -15.298 -0.824 -19.220 1.00 0.00 C ATOM 0 H LEU A 159 -11.747 -1.701 -16.232 1.00 0.00 H new ATOM 0 HA LEU A 159 -13.397 0.179 -17.579 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -13.219 -2.298 -17.973 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -14.094 -2.558 -16.477 1.00 0.00 H new ATOM 0 HG LEU A 159 -15.438 -2.851 -18.542 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -17.449 -1.638 -17.809 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -16.598 -2.436 -16.465 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -16.447 -0.678 -16.695 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -16.249 -0.835 -19.753 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -15.132 0.165 -18.794 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -14.491 -1.061 -19.913 1.00 0.00 H new ATOM 143 N PHE A 160 -14.213 -0.538 -14.466 1.00 0.00 N ATOM 144 CA PHE A 160 -14.974 -0.047 -13.342 1.00 0.00 C ATOM 145 C PHE A 160 -14.259 1.166 -12.801 1.00 0.00 C ATOM 146 O PHE A 160 -14.873 2.166 -12.420 1.00 0.00 O ATOM 147 CB PHE A 160 -15.092 -1.111 -12.250 1.00 0.00 C ATOM 148 CG PHE A 160 -15.661 -2.420 -12.722 1.00 0.00 C ATOM 149 CD1 PHE A 160 -16.952 -2.496 -13.221 1.00 0.00 C ATOM 150 CD2 PHE A 160 -14.907 -3.578 -12.654 1.00 0.00 C ATOM 151 CE1 PHE A 160 -17.475 -3.699 -13.648 1.00 0.00 C ATOM 152 CE2 PHE A 160 -15.425 -4.783 -13.079 1.00 0.00 C ATOM 153 CZ PHE A 160 -16.711 -4.845 -13.577 1.00 0.00 C ATOM 0 H PHE A 160 -13.631 -1.351 -14.265 1.00 0.00 H new ATOM 0 HA PHE A 160 -15.984 0.206 -13.663 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -14.104 -1.290 -11.825 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -15.720 -0.723 -11.447 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -17.556 -1.602 -13.276 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -13.901 -3.538 -12.263 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -18.481 -3.743 -14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -14.824 -5.679 -13.022 1.00 0.00 H new ATOM 0 HZ PHE A 160 -17.118 -5.788 -13.910 1.00 0.00 H new ATOM 163 N GLY A 161 -12.951 1.067 -12.785 1.00 0.00 N ATOM 164 CA GLY A 161 -12.117 2.162 -12.381 1.00 0.00 C ATOM 165 C GLY A 161 -11.678 2.019 -10.958 1.00 0.00 C ATOM 166 O GLY A 161 -12.276 1.249 -10.195 1.00 0.00 O ATOM 0 H GLY A 161 -12.441 0.225 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -11.242 2.214 -13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -12.660 3.099 -12.503 1.00 0.00 H new ATOM 170 N SER A 162 -10.640 2.713 -10.599 1.00 0.00 N ATOM 171 CA SER A 162 -10.164 2.704 -9.255 1.00 0.00 C ATOM 172 C SER A 162 -10.966 3.726 -8.462 1.00 0.00 C ATOM 173 O SER A 162 -10.827 4.942 -8.662 1.00 0.00 O ATOM 174 CB SER A 162 -8.665 3.033 -9.217 1.00 0.00 C ATOM 175 OG SER A 162 -7.902 2.097 -9.997 1.00 0.00 O ATOM 0 H SER A 162 -10.101 3.302 -11.234 1.00 0.00 H new ATOM 0 HA SER A 162 -10.292 1.715 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 162 -8.503 4.042 -9.596 1.00 0.00 H new ATOM 0 HB3 SER A 162 -8.314 3.020 -8.185 1.00 0.00 H new ATOM 0 HG SER A 162 -6.952 2.334 -9.955 1.00 0.00 H new ATOM 181 N ASP A 163 -11.855 3.249 -7.656 1.00 0.00 N ATOM 182 CA ASP A 163 -12.679 4.098 -6.838 1.00 0.00 C ATOM 183 C ASP A 163 -12.218 4.004 -5.408 1.00 0.00 C ATOM 184 O ASP A 163 -11.587 4.926 -4.888 1.00 0.00 O ATOM 185 CB ASP A 163 -14.161 3.729 -6.977 1.00 0.00 C ATOM 186 CG ASP A 163 -15.046 4.519 -6.052 1.00 0.00 C ATOM 187 OD1 ASP A 163 -15.328 5.700 -6.332 1.00 0.00 O ATOM 188 OD2 ASP A 163 -15.447 3.985 -5.013 1.00 0.00 O ATOM 0 H ASP A 163 -12.037 2.252 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 163 -12.578 5.130 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.478 3.896 -8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.287 2.666 -6.773 1.00 0.00 H new ATOM 193 N ASN A 164 -12.496 2.884 -4.793 1.00 0.00 N ATOM 194 CA ASN A 164 -12.054 2.592 -3.440 1.00 0.00 C ATOM 195 C ASN A 164 -11.497 1.201 -3.423 1.00 0.00 C ATOM 196 O ASN A 164 -10.284 1.011 -3.311 1.00 0.00 O ATOM 197 CB ASN A 164 -13.171 2.738 -2.364 1.00 0.00 C ATOM 198 CG ASN A 164 -13.581 4.177 -2.068 1.00 0.00 C ATOM 199 OD1 ASN A 164 -12.792 5.111 -2.197 1.00 0.00 O ATOM 200 ND2 ASN A 164 -14.811 4.370 -1.649 1.00 0.00 N ATOM 0 H ASN A 164 -13.043 2.134 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 164 -11.297 3.330 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -14.050 2.184 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -12.830 2.273 -1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -15.131 5.312 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -15.446 3.578 -1.550 1.00 0.00 H new ATOM 207 N GLU A 165 -12.404 0.220 -3.579 1.00 0.00 N ATOM 208 CA GLU A 165 -12.086 -1.218 -3.640 1.00 0.00 C ATOM 209 C GLU A 165 -11.306 -1.684 -2.410 1.00 0.00 C ATOM 210 O GLU A 165 -10.610 -2.689 -2.441 1.00 0.00 O ATOM 211 CB GLU A 165 -11.343 -1.602 -4.944 1.00 0.00 C ATOM 212 CG GLU A 165 -12.145 -1.415 -6.247 1.00 0.00 C ATOM 213 CD GLU A 165 -12.388 0.029 -6.613 1.00 0.00 C ATOM 214 OE1 GLU A 165 -11.482 0.659 -7.147 1.00 0.00 O ATOM 215 OE2 GLU A 165 -13.496 0.564 -6.365 1.00 0.00 O ATOM 0 H GLU A 165 -13.402 0.410 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 165 -13.042 -1.741 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -10.432 -1.007 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.038 -2.646 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -11.612 -1.902 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -13.105 -1.921 -6.147 1.00 0.00 H new ATOM 222 N GLU A 166 -11.506 -0.988 -1.311 1.00 0.00 N ATOM 223 CA GLU A 166 -10.807 -1.266 -0.085 1.00 0.00 C ATOM 224 C GLU A 166 -11.448 -2.412 0.660 1.00 0.00 C ATOM 225 O GLU A 166 -10.802 -3.054 1.486 1.00 0.00 O ATOM 226 CB GLU A 166 -10.749 -0.023 0.795 1.00 0.00 C ATOM 227 CG GLU A 166 -12.105 0.595 1.073 1.00 0.00 C ATOM 228 CD GLU A 166 -12.021 1.768 1.991 1.00 0.00 C ATOM 229 OE1 GLU A 166 -11.542 2.841 1.556 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.447 1.653 3.159 1.00 0.00 O ATOM 0 H GLU A 166 -12.163 -0.210 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.788 -1.558 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -10.277 -0.282 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -10.113 0.721 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -12.559 0.906 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -12.761 -0.158 1.510 1.00 0.00 H new ATOM 237 N GLU A 167 -12.720 -2.657 0.387 1.00 0.00 N ATOM 238 CA GLU A 167 -13.421 -3.753 1.013 1.00 0.00 C ATOM 239 C GLU A 167 -12.896 -5.058 0.472 1.00 0.00 C ATOM 240 O GLU A 167 -12.637 -5.993 1.238 1.00 0.00 O ATOM 241 CB GLU A 167 -14.933 -3.677 0.788 1.00 0.00 C ATOM 242 CG GLU A 167 -15.682 -4.866 1.382 1.00 0.00 C ATOM 243 CD GLU A 167 -17.138 -4.885 1.042 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.485 -5.211 -0.115 1.00 0.00 O ATOM 245 OE2 GLU A 167 -17.973 -4.637 1.928 1.00 0.00 O ATOM 0 H GLU A 167 -13.282 -2.109 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 167 -13.245 -3.688 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -15.315 -2.756 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -15.134 -3.625 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -15.222 -5.789 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -15.570 -4.850 2.466 1.00 0.00 H new ATOM 252 N ASP A 168 -12.715 -5.112 -0.844 1.00 0.00 N ATOM 253 CA ASP A 168 -12.236 -6.316 -1.493 1.00 0.00 C ATOM 254 C ASP A 168 -10.872 -6.665 -1.001 1.00 0.00 C ATOM 255 O ASP A 168 -9.898 -5.972 -1.286 1.00 0.00 O ATOM 256 CB ASP A 168 -12.261 -6.218 -3.014 1.00 0.00 C ATOM 257 CG ASP A 168 -11.883 -7.536 -3.644 1.00 0.00 C ATOM 258 OD1 ASP A 168 -12.551 -8.555 -3.349 1.00 0.00 O ATOM 259 OD2 ASP A 168 -10.935 -7.583 -4.436 1.00 0.00 O ATOM 0 H ASP A 168 -12.894 -4.333 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.924 -7.118 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -13.256 -5.923 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.571 -5.441 -3.344 1.00 0.00 H new ATOM 264 N LYS A 169 -10.825 -7.735 -0.226 1.00 0.00 N ATOM 265 CA LYS A 169 -9.622 -8.204 0.416 1.00 0.00 C ATOM 266 C LYS A 169 -8.569 -8.492 -0.620 1.00 0.00 C ATOM 267 O LYS A 169 -7.413 -8.194 -0.418 1.00 0.00 O ATOM 268 CB LYS A 169 -9.918 -9.463 1.253 1.00 0.00 C ATOM 269 CG LYS A 169 -8.773 -9.916 2.148 1.00 0.00 C ATOM 270 CD LYS A 169 -8.477 -8.875 3.217 1.00 0.00 C ATOM 271 CE LYS A 169 -7.320 -9.289 4.103 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.038 -8.280 5.144 1.00 0.00 N ATOM 0 H LYS A 169 -11.643 -8.310 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.251 -7.428 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -10.793 -9.272 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.178 -10.278 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.028 -10.865 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.881 -10.089 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.247 -7.921 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.366 -8.720 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -7.548 -10.245 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.430 -9.439 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.240 -8.599 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.796 -7.374 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.879 -8.155 5.743 1.00 0.00 H new ATOM 286 N GLU A 170 -9.006 -9.024 -1.745 1.00 0.00 N ATOM 287 CA GLU A 170 -8.134 -9.348 -2.838 1.00 0.00 C ATOM 288 C GLU A 170 -7.478 -8.066 -3.364 1.00 0.00 C ATOM 289 O GLU A 170 -6.250 -7.964 -3.414 1.00 0.00 O ATOM 290 CB GLU A 170 -8.939 -10.028 -3.949 1.00 0.00 C ATOM 291 CG GLU A 170 -8.098 -10.678 -5.023 1.00 0.00 C ATOM 292 CD GLU A 170 -7.305 -11.836 -4.493 1.00 0.00 C ATOM 293 OE1 GLU A 170 -7.862 -12.943 -4.374 1.00 0.00 O ATOM 294 OE2 GLU A 170 -6.117 -11.667 -4.170 1.00 0.00 O ATOM 0 H GLU A 170 -9.987 -9.242 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.355 -10.031 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.584 -10.785 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.591 -9.288 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -8.744 -11.021 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -7.420 -9.939 -5.449 1.00 0.00 H new ATOM 301 N ALA A 171 -8.309 -7.071 -3.695 1.00 0.00 N ATOM 302 CA ALA A 171 -7.826 -5.800 -4.245 1.00 0.00 C ATOM 303 C ALA A 171 -6.955 -5.039 -3.251 1.00 0.00 C ATOM 304 O ALA A 171 -5.907 -4.481 -3.618 1.00 0.00 O ATOM 305 CB ALA A 171 -8.987 -4.932 -4.705 1.00 0.00 C ATOM 0 H ALA A 171 -9.322 -7.122 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 171 -7.205 -6.042 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.603 -3.995 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.550 -5.456 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.641 -4.721 -3.859 1.00 0.00 H new ATOM 311 N ALA A 172 -7.376 -5.029 -2.003 1.00 0.00 N ATOM 312 CA ALA A 172 -6.648 -4.348 -0.956 1.00 0.00 C ATOM 313 C ALA A 172 -5.298 -5.012 -0.708 1.00 0.00 C ATOM 314 O ALA A 172 -4.275 -4.333 -0.621 1.00 0.00 O ATOM 315 CB ALA A 172 -7.471 -4.293 0.321 1.00 0.00 C ATOM 0 H ALA A 172 -8.229 -5.491 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.461 -3.325 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.905 -3.777 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.401 -3.756 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.698 -5.307 0.652 1.00 0.00 H new ATOM 321 N GLN A 173 -5.297 -6.332 -0.634 1.00 0.00 N ATOM 322 CA GLN A 173 -4.084 -7.100 -0.389 1.00 0.00 C ATOM 323 C GLN A 173 -3.092 -6.894 -1.511 1.00 0.00 C ATOM 324 O GLN A 173 -1.924 -6.560 -1.255 1.00 0.00 O ATOM 325 CB GLN A 173 -4.442 -8.594 -0.181 1.00 0.00 C ATOM 326 CG GLN A 173 -3.294 -9.587 0.085 1.00 0.00 C ATOM 327 CD GLN A 173 -2.617 -10.136 -1.170 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.613 -9.611 -1.649 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.179 -11.181 -1.718 1.00 0.00 N ATOM 0 H GLN A 173 -6.135 -6.903 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.605 -6.747 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.137 -8.656 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.978 -8.934 -1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.541 -9.094 0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.683 -10.423 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.011 -11.593 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.785 -11.585 -2.568 1.00 0.00 H new ATOM 338 N LEU A 174 -3.563 -7.024 -2.752 1.00 0.00 N ATOM 339 CA LEU A 174 -2.686 -6.939 -3.891 1.00 0.00 C ATOM 340 C LEU A 174 -1.991 -5.594 -4.011 1.00 0.00 C ATOM 341 O LEU A 174 -0.785 -5.555 -4.172 1.00 0.00 O ATOM 342 CB LEU A 174 -3.385 -7.378 -5.206 1.00 0.00 C ATOM 343 CG LEU A 174 -4.554 -6.521 -5.748 1.00 0.00 C ATOM 344 CD1 LEU A 174 -4.082 -5.344 -6.602 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.520 -7.379 -6.512 1.00 0.00 C ATOM 0 H LEU A 174 -4.544 -7.187 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.888 -7.660 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.623 -7.428 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.758 -8.392 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 174 -5.061 -6.092 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.946 -4.780 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.443 -4.694 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.520 -5.718 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.337 -6.762 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -5.005 -7.848 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.920 -8.150 -5.854 1.00 0.00 H new ATOM 357 N ARG A 175 -2.733 -4.499 -3.858 1.00 0.00 N ATOM 358 CA ARG A 175 -2.158 -3.180 -4.082 1.00 0.00 C ATOM 359 C ARG A 175 -1.147 -2.795 -3.014 1.00 0.00 C ATOM 360 O ARG A 175 -0.060 -2.279 -3.323 1.00 0.00 O ATOM 361 CB ARG A 175 -3.224 -2.091 -4.252 1.00 0.00 C ATOM 362 CG ARG A 175 -4.052 -1.780 -3.026 1.00 0.00 C ATOM 363 CD ARG A 175 -5.070 -0.703 -3.336 1.00 0.00 C ATOM 364 NE ARG A 175 -5.797 -0.236 -2.146 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.880 0.573 -2.179 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.382 0.968 -3.341 1.00 0.00 N ATOM 367 NH2 ARG A 175 -7.432 1.006 -1.045 1.00 0.00 N ATOM 0 H ARG A 175 -3.716 -4.500 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.619 -3.253 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.731 -1.174 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.897 -2.391 -5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.560 -2.682 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -3.403 -1.453 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.564 0.143 -3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -5.785 -1.086 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.461 -0.543 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.951 0.662 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.199 1.578 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.037 0.727 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.249 1.616 -1.076 1.00 0.00 H new ATOM 381 N GLU A 176 -1.472 -3.103 -1.781 1.00 0.00 N ATOM 382 CA GLU A 176 -0.637 -2.732 -0.676 1.00 0.00 C ATOM 383 C GLU A 176 0.631 -3.558 -0.682 1.00 0.00 C ATOM 384 O GLU A 176 1.730 -3.019 -0.815 1.00 0.00 O ATOM 385 CB GLU A 176 -1.376 -2.934 0.642 1.00 0.00 C ATOM 386 CG GLU A 176 -2.672 -2.156 0.778 1.00 0.00 C ATOM 387 CD GLU A 176 -2.503 -0.664 0.764 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.022 -0.114 1.778 1.00 0.00 O ATOM 389 OE2 GLU A 176 -2.945 -0.011 -0.197 1.00 0.00 O ATOM 0 H GLU A 176 -2.316 -3.613 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.379 -1.678 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.593 -3.996 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.713 -2.651 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -3.340 -2.442 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -3.160 -2.446 1.709 1.00 0.00 H new ATOM 396 N GLU A 177 0.471 -4.873 -0.624 1.00 0.00 N ATOM 397 CA GLU A 177 1.598 -5.779 -0.495 1.00 0.00 C ATOM 398 C GLU A 177 2.586 -5.709 -1.652 1.00 0.00 C ATOM 399 O GLU A 177 3.791 -5.859 -1.428 1.00 0.00 O ATOM 400 CB GLU A 177 1.142 -7.202 -0.229 1.00 0.00 C ATOM 401 CG GLU A 177 0.497 -7.384 1.137 1.00 0.00 C ATOM 402 CD GLU A 177 1.466 -7.151 2.288 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.380 -7.978 2.496 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.308 -6.169 3.044 1.00 0.00 O ATOM 0 H GLU A 177 -0.437 -5.336 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 177 2.152 -5.432 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.431 -7.498 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.998 -7.871 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.343 -6.695 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.091 -8.393 1.210 1.00 0.00 H new ATOM 411 N ARG A 178 2.114 -5.444 -2.879 1.00 0.00 N ATOM 412 CA ARG A 178 3.046 -5.335 -3.986 1.00 0.00 C ATOM 413 C ARG A 178 3.940 -4.108 -3.821 1.00 0.00 C ATOM 414 O ARG A 178 5.140 -4.202 -3.998 1.00 0.00 O ATOM 415 CB ARG A 178 2.359 -5.365 -5.364 1.00 0.00 C ATOM 416 CG ARG A 178 1.405 -4.225 -5.632 1.00 0.00 C ATOM 417 CD ARG A 178 0.698 -4.388 -6.960 1.00 0.00 C ATOM 418 NE ARG A 178 1.602 -4.218 -8.115 1.00 0.00 N ATOM 419 CZ ARG A 178 1.629 -5.005 -9.207 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.970 -6.153 -9.219 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.342 -4.642 -10.275 1.00 0.00 N ATOM 0 H ARG A 178 1.131 -5.308 -3.115 1.00 0.00 H new ATOM 0 HA ARG A 178 3.676 -6.224 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.129 -5.363 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.814 -6.304 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.668 -4.172 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.953 -3.283 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.242 -5.377 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.111 -3.660 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 178 2.261 -3.440 -8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.439 -6.445 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.993 -6.746 -10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 178 2.867 -3.768 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.362 -5.239 -11.102 1.00 0.00 H new ATOM 435 N LEU A 179 3.366 -2.976 -3.405 1.00 0.00 N ATOM 436 CA LEU A 179 4.168 -1.772 -3.183 1.00 0.00 C ATOM 437 C LEU A 179 5.059 -1.931 -1.958 1.00 0.00 C ATOM 438 O LEU A 179 6.205 -1.463 -1.941 1.00 0.00 O ATOM 439 CB LEU A 179 3.303 -0.501 -3.066 1.00 0.00 C ATOM 440 CG LEU A 179 2.901 0.220 -4.378 1.00 0.00 C ATOM 441 CD1 LEU A 179 2.134 -0.682 -5.327 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.091 1.465 -4.067 1.00 0.00 C ATOM 0 H LEU A 179 2.369 -2.869 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 179 4.800 -1.648 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.389 -0.765 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.839 0.213 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 179 3.825 0.503 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 179 1.877 -0.127 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 179 2.752 -1.540 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.221 -1.028 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.815 1.962 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.188 1.186 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.687 2.143 -3.456 1.00 0.00 H new ATOM 454 N ARG A 180 4.543 -2.618 -0.960 1.00 0.00 N ATOM 455 CA ARG A 180 5.269 -2.856 0.277 1.00 0.00 C ATOM 456 C ARG A 180 6.492 -3.744 0.061 1.00 0.00 C ATOM 457 O ARG A 180 7.561 -3.474 0.629 1.00 0.00 O ATOM 458 CB ARG A 180 4.359 -3.464 1.345 1.00 0.00 C ATOM 459 CG ARG A 180 3.227 -2.556 1.781 1.00 0.00 C ATOM 460 CD ARG A 180 2.333 -3.232 2.797 1.00 0.00 C ATOM 461 NE ARG A 180 1.215 -2.378 3.207 1.00 0.00 N ATOM 462 CZ ARG A 180 0.108 -2.796 3.824 1.00 0.00 C ATOM 463 NH1 ARG A 180 -0.124 -4.099 3.981 1.00 0.00 N ATOM 464 NH2 ARG A 180 -0.781 -1.905 4.236 1.00 0.00 N ATOM 0 H ARG A 180 3.609 -3.028 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 180 5.618 -1.885 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.938 -4.394 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.961 -3.721 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.637 -1.641 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.637 -2.266 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 180 1.944 -4.159 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.922 -3.502 3.674 1.00 0.00 H new ATOM 0 HE ARG A 180 1.289 -1.381 3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 180 0.546 -4.782 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -0.972 -4.413 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -0.616 -0.910 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -1.631 -2.213 4.709 1.00 0.00 H new ATOM 478 N GLN A 181 6.361 -4.782 -0.777 1.00 0.00 N ATOM 479 CA GLN A 181 7.466 -5.695 -1.005 1.00 0.00 C ATOM 480 C GLN A 181 8.574 -5.028 -1.784 1.00 0.00 C ATOM 481 O GLN A 181 9.738 -5.326 -1.569 1.00 0.00 O ATOM 482 CB GLN A 181 7.032 -6.980 -1.700 1.00 0.00 C ATOM 483 CG GLN A 181 6.514 -6.812 -3.116 1.00 0.00 C ATOM 484 CD GLN A 181 6.336 -8.133 -3.833 1.00 0.00 C ATOM 485 OE1 GLN A 181 6.064 -9.160 -3.212 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.499 -8.129 -5.125 1.00 0.00 N ATOM 0 H GLN A 181 5.511 -5.000 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 181 7.843 -5.970 -0.020 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.879 -7.666 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.254 -7.452 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.560 -6.286 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.207 -6.187 -3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.724 -7.259 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.402 -8.996 -5.654 1.00 0.00 H new ATOM 495 N TYR A 182 8.207 -4.113 -2.673 1.00 0.00 N ATOM 496 CA TYR A 182 9.164 -3.373 -3.450 1.00 0.00 C ATOM 497 C TYR A 182 10.102 -2.593 -2.535 1.00 0.00 C ATOM 498 O TYR A 182 11.322 -2.607 -2.713 1.00 0.00 O ATOM 499 CB TYR A 182 8.454 -2.397 -4.384 1.00 0.00 C ATOM 500 CG TYR A 182 7.589 -2.996 -5.475 1.00 0.00 C ATOM 501 CD1 TYR A 182 7.849 -4.250 -6.006 1.00 0.00 C ATOM 502 CD2 TYR A 182 6.512 -2.281 -5.987 1.00 0.00 C ATOM 503 CE1 TYR A 182 7.060 -4.774 -7.009 1.00 0.00 C ATOM 504 CE2 TYR A 182 5.719 -2.798 -6.990 1.00 0.00 C ATOM 505 CZ TYR A 182 5.997 -4.046 -7.494 1.00 0.00 C ATOM 506 OH TYR A 182 5.212 -4.570 -8.499 1.00 0.00 O ATOM 0 H TYR A 182 7.235 -3.871 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 182 9.741 -4.085 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.829 -1.741 -3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 182 9.210 -1.770 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.682 -4.825 -5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 182 6.292 -1.301 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 182 7.276 -5.752 -7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 182 4.887 -2.227 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 182 4.504 -3.932 -8.727 1.00 0.00 H new ATOM 516 N ALA A 183 9.530 -1.941 -1.545 1.00 0.00 N ATOM 517 CA ALA A 183 10.286 -1.122 -0.612 1.00 0.00 C ATOM 518 C ALA A 183 11.034 -1.970 0.419 1.00 0.00 C ATOM 519 O ALA A 183 12.027 -1.530 0.992 1.00 0.00 O ATOM 520 CB ALA A 183 9.363 -0.131 0.076 1.00 0.00 C ATOM 0 H ALA A 183 8.527 -1.962 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 183 11.037 -0.575 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.938 0.478 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.899 0.513 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.589 -0.672 0.620 1.00 0.00 H new ATOM 526 N GLU A 184 10.555 -3.172 0.646 1.00 0.00 N ATOM 527 CA GLU A 184 11.162 -4.055 1.625 1.00 0.00 C ATOM 528 C GLU A 184 12.341 -4.802 0.989 1.00 0.00 C ATOM 529 O GLU A 184 13.480 -4.649 1.411 1.00 0.00 O ATOM 530 CB GLU A 184 10.108 -5.057 2.148 1.00 0.00 C ATOM 531 CG GLU A 184 10.393 -5.681 3.528 1.00 0.00 C ATOM 532 CD GLU A 184 11.668 -6.501 3.626 1.00 0.00 C ATOM 533 OE1 GLU A 184 11.651 -7.695 3.272 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.685 -5.984 4.119 1.00 0.00 O ATOM 0 H GLU A 184 9.745 -3.564 0.166 1.00 0.00 H new ATOM 0 HA GLU A 184 11.533 -3.466 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.145 -4.549 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.010 -5.863 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.439 -4.881 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.551 -6.317 3.800 1.00 0.00 H new ATOM 541 N LYS A 185 12.048 -5.558 -0.065 1.00 0.00 N ATOM 542 CA LYS A 185 13.021 -6.455 -0.694 1.00 0.00 C ATOM 543 C LYS A 185 14.200 -5.702 -1.302 1.00 0.00 C ATOM 544 O LYS A 185 15.326 -6.211 -1.337 1.00 0.00 O ATOM 545 CB LYS A 185 12.320 -7.388 -1.685 1.00 0.00 C ATOM 546 CG LYS A 185 11.268 -8.245 -0.987 1.00 0.00 C ATOM 547 CD LYS A 185 10.489 -9.152 -1.922 1.00 0.00 C ATOM 548 CE LYS A 185 9.461 -9.949 -1.121 1.00 0.00 C ATOM 549 NZ LYS A 185 8.617 -10.832 -1.950 1.00 0.00 N ATOM 0 H LYS A 185 11.130 -5.568 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 185 13.461 -7.080 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 185 11.849 -6.799 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.057 -8.032 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 185 11.757 -8.856 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 185 10.569 -7.591 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 185 9.989 -8.559 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.169 -9.830 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 185 9.982 -10.552 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 185 8.820 -9.255 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 8.263 -11.619 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 7.813 -10.290 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 9.180 -11.209 -2.739 1.00 0.00 H new ATOM 563 N LYS A 186 13.953 -4.506 -1.767 1.00 0.00 N ATOM 564 CA LYS A 186 15.026 -3.626 -2.154 1.00 0.00 C ATOM 565 C LYS A 186 15.038 -2.476 -1.181 1.00 0.00 C ATOM 566 O LYS A 186 14.347 -1.469 -1.386 1.00 0.00 O ATOM 567 CB LYS A 186 14.928 -3.098 -3.596 1.00 0.00 C ATOM 568 CG LYS A 186 15.157 -4.111 -4.713 1.00 0.00 C ATOM 569 CD LYS A 186 13.939 -4.972 -4.988 1.00 0.00 C ATOM 570 CE LYS A 186 14.174 -5.851 -6.200 1.00 0.00 C ATOM 571 NZ LYS A 186 12.953 -6.553 -6.618 1.00 0.00 N ATOM 0 H LYS A 186 13.018 -4.118 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 186 15.952 -4.200 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 186 13.939 -2.660 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 186 15.653 -2.292 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.435 -3.582 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 186 15.997 -4.753 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 186 13.721 -5.592 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 186 13.068 -4.338 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.541 -5.240 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 186 14.952 -6.580 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 13.159 -7.142 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 12.616 -7.156 -5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 12.218 -5.858 -6.860 1.00 0.00 H new ATOM 585 N ALA A 187 15.766 -2.654 -0.106 1.00 0.00 N ATOM 586 CA ALA A 187 15.801 -1.704 0.992 1.00 0.00 C ATOM 587 C ALA A 187 16.314 -0.329 0.579 1.00 0.00 C ATOM 588 O ALA A 187 15.672 0.693 0.864 1.00 0.00 O ATOM 589 CB ALA A 187 16.634 -2.260 2.132 1.00 0.00 C ATOM 0 H ALA A 187 16.360 -3.471 0.038 1.00 0.00 H new ATOM 0 HA ALA A 187 14.772 -1.562 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 187 16.655 -1.541 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 187 16.196 -3.195 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 187 17.651 -2.443 1.784 1.00 0.00 H new ATOM 595 N LYS A 188 17.430 -0.296 -0.109 1.00 0.00 N ATOM 596 CA LYS A 188 18.051 0.963 -0.455 1.00 0.00 C ATOM 597 C LYS A 188 17.930 1.245 -1.953 1.00 0.00 C ATOM 598 O LYS A 188 18.482 0.513 -2.785 1.00 0.00 O ATOM 599 CB LYS A 188 19.528 0.954 -0.033 1.00 0.00 C ATOM 600 CG LYS A 188 20.243 2.289 -0.204 1.00 0.00 C ATOM 601 CD LYS A 188 21.731 2.159 0.099 1.00 0.00 C ATOM 602 CE LYS A 188 22.469 3.480 -0.082 1.00 0.00 C ATOM 603 NZ LYS A 188 22.350 4.010 -1.459 1.00 0.00 N ATOM 0 H LYS A 188 17.927 -1.123 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 188 17.531 1.758 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.592 0.653 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.054 0.197 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.107 2.650 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.797 3.031 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.863 1.807 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 188 22.170 1.406 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 188 22.074 4.213 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 188 23.522 3.341 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 23.013 4.801 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 22.575 3.258 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 21.378 4.344 -1.620 1.00 0.00 H new ATOM 617 N LYS A 189 17.196 2.271 -2.299 1.00 0.00 N ATOM 618 CA LYS A 189 17.075 2.689 -3.681 1.00 0.00 C ATOM 619 C LYS A 189 17.382 4.168 -3.755 1.00 0.00 C ATOM 620 O LYS A 189 17.277 4.868 -2.745 1.00 0.00 O ATOM 621 CB LYS A 189 15.649 2.502 -4.224 1.00 0.00 C ATOM 622 CG LYS A 189 15.044 1.131 -4.084 1.00 0.00 C ATOM 623 CD LYS A 189 13.681 1.112 -4.755 1.00 0.00 C ATOM 624 CE LYS A 189 12.915 -0.139 -4.429 1.00 0.00 C ATOM 625 NZ LYS A 189 12.561 -0.198 -3.000 1.00 0.00 N ATOM 0 H LYS A 189 16.666 2.840 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 189 17.761 2.081 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 189 14.997 3.214 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 189 15.651 2.766 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 189 15.696 0.385 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 189 14.947 0.870 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 189 13.107 1.983 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 189 13.807 1.190 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 189 12.008 -0.179 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 189 13.512 -1.012 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 11.819 -0.912 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 13.402 -0.456 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 12.213 0.732 -2.690 1.00 0.00 H new ATOM 639 N PRO A 190 17.775 4.685 -4.920 1.00 0.00 N ATOM 640 CA PRO A 190 17.944 6.107 -5.131 1.00 0.00 C ATOM 641 C PRO A 190 16.658 6.670 -5.746 1.00 0.00 C ATOM 642 O PRO A 190 16.695 7.465 -6.697 1.00 0.00 O ATOM 643 CB PRO A 190 19.091 6.167 -6.154 1.00 0.00 C ATOM 644 CG PRO A 190 19.260 4.769 -6.690 1.00 0.00 C ATOM 645 CD PRO A 190 18.137 3.944 -6.133 1.00 0.00 C ATOM 0 HA PRO A 190 18.151 6.675 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 190 18.858 6.865 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 190 20.011 6.517 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 190 19.234 4.769 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 190 20.225 4.357 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 190 17.302 3.871 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 190 18.454 2.926 -5.908 1.00 0.00 H new ATOM 653 N ALA A 191 15.527 6.241 -5.196 1.00 0.00 N ATOM 654 CA ALA A 191 14.221 6.616 -5.695 1.00 0.00 C ATOM 655 C ALA A 191 13.939 8.085 -5.448 1.00 0.00 C ATOM 656 O ALA A 191 13.668 8.495 -4.305 1.00 0.00 O ATOM 657 CB ALA A 191 13.134 5.736 -5.089 1.00 0.00 C ATOM 0 H ALA A 191 15.497 5.620 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 191 14.217 6.458 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 191 12.162 6.037 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 191 13.322 4.694 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 191 13.139 5.846 -4.005 1.00 0.00 H new ATOM 663 N LEU A 192 14.060 8.857 -6.521 1.00 0.00 N ATOM 664 CA LEU A 192 13.823 10.292 -6.551 1.00 0.00 C ATOM 665 C LEU A 192 14.643 11.018 -5.491 1.00 0.00 C ATOM 666 O LEU A 192 14.075 11.523 -4.493 1.00 0.00 O ATOM 667 CB LEU A 192 12.312 10.650 -6.455 1.00 0.00 C ATOM 668 CG LEU A 192 11.393 10.238 -7.644 1.00 0.00 C ATOM 669 CD1 LEU A 192 11.214 8.729 -7.751 1.00 0.00 C ATOM 670 CD2 LEU A 192 10.044 10.916 -7.529 1.00 0.00 C ATOM 671 OXT LEU A 192 15.886 11.052 -5.633 1.00 0.00 O ATOM 0 H LEU A 192 14.337 8.484 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 192 14.162 10.643 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 192 11.915 10.190 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 192 12.231 11.729 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 192 11.890 10.568 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 192 10.565 8.499 -8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 192 12.185 8.257 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 192 10.764 8.350 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 192 9.414 10.618 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 192 9.567 10.622 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 192 10.178 11.998 -7.543 1.00 0.00 H new TER 683 LEU A 192