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 162 SER OG : rot 130:sc= 0.833 USER MOD Set 1.2: A 164 ASN : amide:sc= 0.904 K(o=1.7,f=0.043) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 161:sc= -0.067 (180deg=-0.47) USER MOD Single : A 173 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 181 GLN : amide:sc= -0.0681 K(o=-0.068,f=-0.67) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -167:sc= -0.0549 (180deg=-0.304) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ -160:sc= -0.0739 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 12.845 18.583 -8.054 1.00 0.00 N ATOM 2 CA GLY A 149 13.456 18.321 -9.358 1.00 0.00 C ATOM 3 C GLY A 149 12.499 17.602 -10.281 1.00 0.00 C ATOM 4 O GLY A 149 11.443 18.155 -10.631 1.00 0.00 O ATOM 0 HA2 GLY A 149 13.764 19.262 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 149 14.356 17.721 -9.226 1.00 0.00 H new ATOM 10 N PRO A 150 12.829 16.362 -10.708 1.00 0.00 N ATOM 11 CA PRO A 150 11.959 15.565 -11.581 1.00 0.00 C ATOM 12 C PRO A 150 10.677 15.124 -10.867 1.00 0.00 C ATOM 13 O PRO A 150 10.604 15.111 -9.624 1.00 0.00 O ATOM 14 CB PRO A 150 12.818 14.340 -11.931 1.00 0.00 C ATOM 15 CG PRO A 150 13.800 14.235 -10.817 1.00 0.00 C ATOM 16 CD PRO A 150 14.091 15.645 -10.393 1.00 0.00 C ATOM 0 HA PRO A 150 11.630 16.132 -12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 150 12.210 13.439 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 150 13.320 14.469 -12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 150 13.392 13.654 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 150 14.709 13.730 -11.143 1.00 0.00 H new ATOM 0 HD2 PRO A 150 14.334 15.704 -9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 150 14.938 16.062 -10.938 1.00 0.00 H new ATOM 24 N GLY A 151 9.685 14.773 -11.637 1.00 0.00 N ATOM 25 CA GLY A 151 8.437 14.357 -11.084 1.00 0.00 C ATOM 26 C GLY A 151 8.419 12.884 -10.798 1.00 0.00 C ATOM 27 O GLY A 151 7.994 12.101 -11.619 1.00 0.00 O ATOM 0 H GLY A 151 9.723 14.769 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 151 8.245 14.909 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.632 14.603 -11.777 1.00 0.00 H new ATOM 31 N SER A 152 8.875 12.501 -9.627 1.00 0.00 N ATOM 32 CA SER A 152 8.887 11.102 -9.219 1.00 0.00 C ATOM 33 C SER A 152 7.549 10.724 -8.560 1.00 0.00 C ATOM 34 O SER A 152 7.447 9.757 -7.798 1.00 0.00 O ATOM 35 CB SER A 152 10.062 10.866 -8.283 1.00 0.00 C ATOM 36 OG SER A 152 11.286 11.218 -8.940 1.00 0.00 O ATOM 0 H SER A 152 9.248 13.143 -8.928 1.00 0.00 H new ATOM 0 HA SER A 152 9.007 10.462 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 152 9.942 11.460 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.091 9.820 -7.977 1.00 0.00 H new ATOM 0 HG SER A 152 12.039 11.066 -8.332 1.00 0.00 H new ATOM 42 N GLU A 153 6.523 11.442 -8.973 1.00 0.00 N ATOM 43 CA GLU A 153 5.178 11.329 -8.467 1.00 0.00 C ATOM 44 C GLU A 153 4.584 9.950 -8.771 1.00 0.00 C ATOM 45 O GLU A 153 3.757 9.443 -8.016 1.00 0.00 O ATOM 46 CB GLU A 153 4.347 12.460 -9.083 1.00 0.00 C ATOM 47 CG GLU A 153 2.902 12.538 -8.650 1.00 0.00 C ATOM 48 CD GLU A 153 2.232 13.761 -9.205 1.00 0.00 C ATOM 49 OE1 GLU A 153 1.701 13.714 -10.334 1.00 0.00 O ATOM 50 OE2 GLU A 153 2.242 14.808 -8.524 1.00 0.00 O ATOM 0 H GLU A 153 6.613 12.149 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 153 5.174 11.425 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 153 4.828 13.408 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 153 4.374 12.354 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 153 2.371 11.647 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 153 2.847 12.553 -7.562 1.00 0.00 H new ATOM 57 N ASP A 154 5.021 9.347 -9.864 1.00 0.00 N ATOM 58 CA ASP A 154 4.553 8.013 -10.231 1.00 0.00 C ATOM 59 C ASP A 154 5.618 6.971 -9.983 1.00 0.00 C ATOM 60 O ASP A 154 5.329 5.771 -9.941 1.00 0.00 O ATOM 61 CB ASP A 154 4.103 7.938 -11.695 1.00 0.00 C ATOM 62 CG ASP A 154 2.891 8.769 -12.005 1.00 0.00 C ATOM 63 OD1 ASP A 154 3.045 9.962 -12.361 1.00 0.00 O ATOM 64 OD2 ASP A 154 1.763 8.235 -11.940 1.00 0.00 O ATOM 0 H ASP A 154 5.695 9.754 -10.512 1.00 0.00 H new ATOM 0 HA ASP A 154 3.691 7.807 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 154 4.925 8.260 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 154 3.892 6.899 -11.947 1.00 0.00 H new ATOM 69 N ASP A 155 6.847 7.430 -9.794 1.00 0.00 N ATOM 70 CA ASP A 155 7.998 6.533 -9.584 1.00 0.00 C ATOM 71 C ASP A 155 7.934 5.880 -8.238 1.00 0.00 C ATOM 72 O ASP A 155 8.404 4.761 -8.051 1.00 0.00 O ATOM 73 CB ASP A 155 9.343 7.270 -9.690 1.00 0.00 C ATOM 74 CG ASP A 155 9.649 7.803 -11.055 1.00 0.00 C ATOM 75 OD1 ASP A 155 10.148 7.058 -11.899 1.00 0.00 O ATOM 76 OD2 ASP A 155 9.397 8.984 -11.311 1.00 0.00 O ATOM 0 H ASP A 155 7.084 8.422 -9.780 1.00 0.00 H new ATOM 0 HA ASP A 155 7.939 5.784 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 155 9.347 8.098 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 155 10.141 6.590 -9.391 1.00 0.00 H new ATOM 81 N ASP A 156 7.377 6.569 -7.294 1.00 0.00 N ATOM 82 CA ASP A 156 7.299 6.045 -5.951 1.00 0.00 C ATOM 83 C ASP A 156 5.861 5.779 -5.537 1.00 0.00 C ATOM 84 O ASP A 156 5.468 4.633 -5.314 1.00 0.00 O ATOM 85 CB ASP A 156 7.986 6.995 -4.968 1.00 0.00 C ATOM 86 CG ASP A 156 7.902 6.519 -3.538 1.00 0.00 C ATOM 87 OD1 ASP A 156 8.676 5.624 -3.139 1.00 0.00 O ATOM 88 OD2 ASP A 156 7.074 7.034 -2.787 1.00 0.00 O ATOM 0 H ASP A 156 6.968 7.495 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 156 7.823 5.089 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 156 9.034 7.105 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 156 7.530 7.982 -5.045 1.00 0.00 H new ATOM 93 N ILE A 157 5.076 6.811 -5.486 1.00 0.00 N ATOM 94 CA ILE A 157 3.716 6.706 -5.010 1.00 0.00 C ATOM 95 C ILE A 157 2.760 6.369 -6.164 1.00 0.00 C ATOM 96 O ILE A 157 2.992 6.756 -7.325 1.00 0.00 O ATOM 97 CB ILE A 157 3.272 8.053 -4.340 1.00 0.00 C ATOM 98 CG1 ILE A 157 4.266 8.461 -3.245 1.00 0.00 C ATOM 99 CG2 ILE A 157 1.868 7.937 -3.749 1.00 0.00 C ATOM 100 CD1 ILE A 157 3.972 9.805 -2.601 1.00 0.00 C ATOM 0 H ILE A 157 5.352 7.751 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 157 3.676 5.904 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 157 3.258 8.821 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 157 4.270 7.694 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 157 5.268 8.488 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 157 1.586 8.885 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 157 1.159 7.691 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 157 1.855 7.151 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 157 4.722 10.015 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 157 3.998 10.586 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 157 2.984 9.779 -2.140 1.00 0.00 H new ATOM 112 N ASP A 158 1.729 5.614 -5.859 1.00 0.00 N ATOM 113 CA ASP A 158 0.665 5.362 -6.800 1.00 0.00 C ATOM 114 C ASP A 158 -0.282 6.530 -6.769 1.00 0.00 C ATOM 115 O ASP A 158 -1.005 6.737 -5.779 1.00 0.00 O ATOM 116 CB ASP A 158 -0.099 4.061 -6.507 1.00 0.00 C ATOM 117 CG ASP A 158 0.595 2.814 -7.006 1.00 0.00 C ATOM 118 OD1 ASP A 158 0.341 2.408 -8.158 1.00 0.00 O ATOM 119 OD2 ASP A 158 1.379 2.186 -6.258 1.00 0.00 O ATOM 0 H ASP A 158 1.606 5.159 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 158 1.110 5.242 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -0.249 3.975 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -1.087 4.122 -6.963 1.00 0.00 H new ATOM 124 N LEU A 159 -0.241 7.318 -7.818 1.00 0.00 N ATOM 125 CA LEU A 159 -1.062 8.500 -7.939 1.00 0.00 C ATOM 126 C LEU A 159 -2.516 8.098 -8.047 1.00 0.00 C ATOM 127 O LEU A 159 -3.391 8.700 -7.430 1.00 0.00 O ATOM 128 CB LEU A 159 -0.647 9.322 -9.167 1.00 0.00 C ATOM 129 CG LEU A 159 -1.412 10.637 -9.391 1.00 0.00 C ATOM 130 CD1 LEU A 159 -1.149 11.624 -8.263 1.00 0.00 C ATOM 131 CD2 LEU A 159 -1.042 11.246 -10.725 1.00 0.00 C ATOM 0 H LEU A 159 0.369 7.155 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 159 -0.924 9.118 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.415 9.553 -9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.768 8.699 -10.053 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.478 10.409 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.703 12.544 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.473 11.190 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.083 11.846 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.593 12.176 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.028 11.452 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.294 10.550 -11.525 1.00 0.00 H new ATOM 143 N PHE A 160 -2.766 7.061 -8.792 1.00 0.00 N ATOM 144 CA PHE A 160 -4.097 6.594 -8.955 1.00 0.00 C ATOM 145 C PHE A 160 -4.476 5.557 -7.948 1.00 0.00 C ATOM 146 O PHE A 160 -4.340 4.345 -8.169 1.00 0.00 O ATOM 147 CB PHE A 160 -4.410 6.172 -10.384 1.00 0.00 C ATOM 148 CG PHE A 160 -4.539 7.348 -11.294 1.00 0.00 C ATOM 149 CD1 PHE A 160 -5.767 7.953 -11.468 1.00 0.00 C ATOM 150 CD2 PHE A 160 -3.440 7.870 -11.949 1.00 0.00 C ATOM 151 CE1 PHE A 160 -5.903 9.051 -12.279 1.00 0.00 C ATOM 152 CE2 PHE A 160 -3.572 8.970 -12.766 1.00 0.00 C ATOM 153 CZ PHE A 160 -4.808 9.561 -12.927 1.00 0.00 C ATOM 0 H PHE A 160 -2.058 6.526 -9.295 1.00 0.00 H new ATOM 0 HA PHE A 160 -4.737 7.453 -8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -3.621 5.514 -10.750 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -5.336 5.598 -10.399 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -6.633 7.557 -10.959 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -2.471 7.412 -11.819 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -6.871 9.513 -12.407 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.710 9.369 -13.280 1.00 0.00 H new ATOM 0 HZ PHE A 160 -4.913 10.427 -13.564 1.00 0.00 H new ATOM 163 N GLY A 161 -4.862 6.041 -6.811 1.00 0.00 N ATOM 164 CA GLY A 161 -5.420 5.210 -5.808 1.00 0.00 C ATOM 165 C GLY A 161 -6.890 5.193 -6.036 1.00 0.00 C ATOM 166 O GLY A 161 -7.443 6.200 -6.497 1.00 0.00 O ATOM 0 H GLY A 161 -4.797 7.027 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -5.008 4.203 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -5.187 5.593 -4.814 1.00 0.00 H new ATOM 170 N SER A 162 -7.533 4.126 -5.758 1.00 0.00 N ATOM 171 CA SER A 162 -8.912 4.049 -6.072 1.00 0.00 C ATOM 172 C SER A 162 -9.718 3.573 -4.896 1.00 0.00 C ATOM 173 O SER A 162 -9.240 2.831 -4.039 1.00 0.00 O ATOM 174 CB SER A 162 -9.149 3.159 -7.300 1.00 0.00 C ATOM 175 OG SER A 162 -10.523 3.181 -7.700 1.00 0.00 O ATOM 0 H SER A 162 -7.135 3.297 -5.317 1.00 0.00 H new ATOM 0 HA SER A 162 -9.250 5.056 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 162 -8.522 3.499 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 162 -8.850 2.136 -7.073 1.00 0.00 H new ATOM 0 HG SER A 162 -10.581 3.365 -8.661 1.00 0.00 H new ATOM 181 N ASP A 163 -10.969 3.965 -4.889 1.00 0.00 N ATOM 182 CA ASP A 163 -11.906 3.576 -3.852 1.00 0.00 C ATOM 183 C ASP A 163 -12.340 2.146 -4.071 1.00 0.00 C ATOM 184 O ASP A 163 -13.033 1.554 -3.258 1.00 0.00 O ATOM 185 CB ASP A 163 -13.128 4.494 -3.855 1.00 0.00 C ATOM 186 CG ASP A 163 -12.785 5.927 -3.539 1.00 0.00 C ATOM 187 OD1 ASP A 163 -12.736 6.298 -2.352 1.00 0.00 O ATOM 188 OD2 ASP A 163 -12.545 6.713 -4.472 1.00 0.00 O ATOM 0 H ASP A 163 -11.373 4.568 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 163 -11.411 3.664 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -13.609 4.448 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -13.852 4.130 -3.126 1.00 0.00 H new ATOM 193 N ASN A 164 -11.929 1.591 -5.187 1.00 0.00 N ATOM 194 CA ASN A 164 -12.240 0.217 -5.510 1.00 0.00 C ATOM 195 C ASN A 164 -11.188 -0.712 -4.928 1.00 0.00 C ATOM 196 O ASN A 164 -11.350 -1.928 -4.940 1.00 0.00 O ATOM 197 CB ASN A 164 -12.343 -0.002 -7.026 1.00 0.00 C ATOM 198 CG ASN A 164 -13.428 0.827 -7.688 1.00 0.00 C ATOM 199 OD1 ASN A 164 -14.585 0.432 -7.733 1.00 0.00 O ATOM 200 ND2 ASN A 164 -13.060 1.960 -8.232 1.00 0.00 N ATOM 0 H ASN A 164 -11.373 2.075 -5.893 1.00 0.00 H new ATOM 0 HA ASN A 164 -13.211 -0.010 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -11.384 0.237 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -12.535 -1.057 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -13.747 2.542 -8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -12.087 2.260 -8.176 1.00 0.00 H new ATOM 207 N GLU A 165 -10.097 -0.137 -4.421 1.00 0.00 N ATOM 208 CA GLU A 165 -9.027 -0.937 -3.839 1.00 0.00 C ATOM 209 C GLU A 165 -9.475 -1.581 -2.552 1.00 0.00 C ATOM 210 O GLU A 165 -9.438 -2.779 -2.415 1.00 0.00 O ATOM 211 CB GLU A 165 -7.773 -0.104 -3.559 1.00 0.00 C ATOM 212 CG GLU A 165 -7.062 0.436 -4.780 1.00 0.00 C ATOM 213 CD GLU A 165 -5.820 1.206 -4.399 1.00 0.00 C ATOM 214 OE1 GLU A 165 -4.788 0.575 -4.078 1.00 0.00 O ATOM 215 OE2 GLU A 165 -5.841 2.438 -4.430 1.00 0.00 O ATOM 0 H GLU A 165 -9.934 0.870 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 165 -8.782 -1.704 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -8.051 0.735 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -7.071 -0.716 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -6.793 -0.388 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -7.737 1.084 -5.339 1.00 0.00 H new ATOM 222 N GLU A 166 -9.951 -0.767 -1.636 1.00 0.00 N ATOM 223 CA GLU A 166 -10.273 -1.228 -0.298 1.00 0.00 C ATOM 224 C GLU A 166 -11.577 -2.028 -0.188 1.00 0.00 C ATOM 225 O GLU A 166 -11.776 -2.766 0.787 1.00 0.00 O ATOM 226 CB GLU A 166 -10.150 -0.078 0.725 1.00 0.00 C ATOM 227 CG GLU A 166 -10.919 1.201 0.389 1.00 0.00 C ATOM 228 CD GLU A 166 -12.394 1.123 0.676 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.798 1.423 1.816 1.00 0.00 O ATOM 230 OE2 GLU A 166 -13.172 0.798 -0.222 1.00 0.00 O ATOM 0 H GLU A 166 -10.126 0.226 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.519 -1.971 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -10.493 -0.441 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -9.095 0.174 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -10.492 2.028 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -10.777 1.431 -0.667 1.00 0.00 H new ATOM 237 N GLU A 167 -12.455 -1.897 -1.170 1.00 0.00 N ATOM 238 CA GLU A 167 -13.693 -2.670 -1.166 1.00 0.00 C ATOM 239 C GLU A 167 -13.397 -4.137 -1.472 1.00 0.00 C ATOM 240 O GLU A 167 -13.944 -5.049 -0.836 1.00 0.00 O ATOM 241 CB GLU A 167 -14.716 -2.128 -2.165 1.00 0.00 C ATOM 242 CG GLU A 167 -16.025 -2.906 -2.135 1.00 0.00 C ATOM 243 CD GLU A 167 -17.000 -2.467 -3.175 1.00 0.00 C ATOM 244 OE1 GLU A 167 -16.802 -2.780 -4.352 1.00 0.00 O ATOM 245 OE2 GLU A 167 -18.002 -1.810 -2.846 1.00 0.00 O ATOM 0 H GLU A 167 -12.340 -1.274 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.127 -2.581 -0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -14.915 -1.079 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -14.295 -2.168 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -15.812 -3.966 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -16.481 -2.797 -1.151 1.00 0.00 H new ATOM 252 N ASP A 168 -12.537 -4.362 -2.437 1.00 0.00 N ATOM 253 CA ASP A 168 -12.139 -5.709 -2.795 1.00 0.00 C ATOM 254 C ASP A 168 -11.048 -6.112 -1.850 1.00 0.00 C ATOM 255 O ASP A 168 -9.947 -5.576 -1.905 1.00 0.00 O ATOM 256 CB ASP A 168 -11.645 -5.759 -4.231 1.00 0.00 C ATOM 257 CG ASP A 168 -11.437 -7.168 -4.749 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.507 -7.856 -4.327 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.198 -7.594 -5.641 1.00 0.00 O ATOM 0 H ASP A 168 -12.096 -3.629 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.986 -6.391 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.363 -5.247 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.705 -5.211 -4.303 1.00 0.00 H new ATOM 264 N LYS A 169 -11.357 -7.028 -0.969 1.00 0.00 N ATOM 265 CA LYS A 169 -10.455 -7.404 0.096 1.00 0.00 C ATOM 266 C LYS A 169 -9.162 -8.007 -0.457 1.00 0.00 C ATOM 267 O LYS A 169 -8.076 -7.818 0.118 1.00 0.00 O ATOM 268 CB LYS A 169 -11.152 -8.378 1.046 1.00 0.00 C ATOM 269 CG LYS A 169 -10.446 -8.543 2.371 1.00 0.00 C ATOM 270 CD LYS A 169 -11.199 -9.476 3.289 1.00 0.00 C ATOM 271 CE LYS A 169 -10.605 -9.468 4.688 1.00 0.00 C ATOM 272 NZ LYS A 169 -10.726 -8.137 5.330 1.00 0.00 N ATOM 0 H LYS A 169 -12.241 -7.537 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.182 -6.507 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.169 -8.030 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.229 -9.351 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.441 -8.930 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.337 -7.570 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.247 -9.179 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.172 -10.488 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -11.110 -10.215 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -9.554 -9.753 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -10.617 -8.237 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.985 -7.506 4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -11.661 -7.733 5.118 1.00 0.00 H new ATOM 286 N GLU A 170 -9.275 -8.676 -1.587 1.00 0.00 N ATOM 287 CA GLU A 170 -8.145 -9.306 -2.211 1.00 0.00 C ATOM 288 C GLU A 170 -7.291 -8.236 -2.890 1.00 0.00 C ATOM 289 O GLU A 170 -6.059 -8.200 -2.723 1.00 0.00 O ATOM 290 CB GLU A 170 -8.618 -10.317 -3.254 1.00 0.00 C ATOM 291 CG GLU A 170 -7.556 -11.309 -3.680 1.00 0.00 C ATOM 292 CD GLU A 170 -7.280 -12.339 -2.611 1.00 0.00 C ATOM 293 OE1 GLU A 170 -6.718 -12.000 -1.540 1.00 0.00 O ATOM 294 OE2 GLU A 170 -7.640 -13.511 -2.812 1.00 0.00 O ATOM 0 H GLU A 170 -10.153 -8.794 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.558 -9.827 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.471 -10.864 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.970 -9.778 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -7.875 -11.811 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.635 -10.775 -3.915 1.00 0.00 H new ATOM 301 N ALA A 171 -7.956 -7.335 -3.631 1.00 0.00 N ATOM 302 CA ALA A 171 -7.266 -6.267 -4.351 1.00 0.00 C ATOM 303 C ALA A 171 -6.530 -5.364 -3.398 1.00 0.00 C ATOM 304 O ALA A 171 -5.391 -4.972 -3.660 1.00 0.00 O ATOM 305 CB ALA A 171 -8.217 -5.450 -5.208 1.00 0.00 C ATOM 0 H ALA A 171 -8.970 -7.330 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.547 -6.748 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.661 -4.668 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.696 -6.100 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.978 -4.995 -4.574 1.00 0.00 H new ATOM 311 N ALA A 172 -7.178 -5.058 -2.280 1.00 0.00 N ATOM 312 CA ALA A 172 -6.597 -4.228 -1.237 1.00 0.00 C ATOM 313 C ALA A 172 -5.270 -4.802 -0.778 1.00 0.00 C ATOM 314 O ALA A 172 -4.274 -4.079 -0.657 1.00 0.00 O ATOM 315 CB ALA A 172 -7.552 -4.115 -0.058 1.00 0.00 C ATOM 0 H ALA A 172 -8.123 -5.380 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.424 -3.233 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.104 -3.491 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.488 -3.666 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.750 -5.108 0.347 1.00 0.00 H new ATOM 321 N GLN A 173 -5.254 -6.115 -0.597 1.00 0.00 N ATOM 322 CA GLN A 173 -4.081 -6.809 -0.136 1.00 0.00 C ATOM 323 C GLN A 173 -2.966 -6.746 -1.180 1.00 0.00 C ATOM 324 O GLN A 173 -1.892 -6.260 -0.888 1.00 0.00 O ATOM 325 CB GLN A 173 -4.400 -8.264 0.214 1.00 0.00 C ATOM 326 CG GLN A 173 -3.236 -9.007 0.849 1.00 0.00 C ATOM 327 CD GLN A 173 -3.535 -10.465 1.087 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.291 -11.299 0.238 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.062 -10.787 2.231 1.00 0.00 N ATOM 0 H GLN A 173 -6.057 -6.720 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 173 -3.737 -6.309 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.250 -8.287 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.704 -8.788 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.361 -8.921 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -2.982 -8.533 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.256 -10.065 2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.282 -11.762 2.435 1.00 0.00 H new ATOM 338 N LEU A 174 -3.244 -7.184 -2.405 1.00 0.00 N ATOM 339 CA LEU A 174 -2.216 -7.237 -3.449 1.00 0.00 C ATOM 340 C LEU A 174 -1.677 -5.850 -3.856 1.00 0.00 C ATOM 341 O LEU A 174 -0.491 -5.707 -4.154 1.00 0.00 O ATOM 342 CB LEU A 174 -2.675 -8.107 -4.638 1.00 0.00 C ATOM 343 CG LEU A 174 -4.006 -7.741 -5.308 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.855 -6.632 -6.340 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.664 -8.968 -5.898 1.00 0.00 C ATOM 0 H LEU A 174 -4.165 -7.506 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.347 -7.734 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.895 -8.076 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -2.744 -9.139 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.660 -7.345 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.826 -6.413 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.466 -5.736 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.164 -6.952 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.606 -8.685 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.005 -9.411 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.856 -9.693 -5.108 1.00 0.00 H new ATOM 357 N ARG A 175 -2.533 -4.834 -3.831 1.00 0.00 N ATOM 358 CA ARG A 175 -2.104 -3.461 -4.109 1.00 0.00 C ATOM 359 C ARG A 175 -1.119 -2.997 -3.033 1.00 0.00 C ATOM 360 O ARG A 175 -0.028 -2.489 -3.340 1.00 0.00 O ATOM 361 CB ARG A 175 -3.318 -2.516 -4.170 1.00 0.00 C ATOM 362 CG ARG A 175 -4.169 -2.632 -5.441 1.00 0.00 C ATOM 363 CD ARG A 175 -3.578 -1.831 -6.602 1.00 0.00 C ATOM 364 NE ARG A 175 -3.628 -0.383 -6.319 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.505 0.624 -7.206 1.00 0.00 C ATOM 366 NH1 ARG A 175 -3.341 0.376 -8.503 1.00 0.00 N ATOM 367 NH2 ARG A 175 -3.581 1.886 -6.779 1.00 0.00 N ATOM 0 H ARG A 175 -3.527 -4.931 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.606 -3.438 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.954 -2.710 -3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.964 -1.489 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.250 -3.680 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -5.179 -2.279 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.546 -2.137 -6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.130 -2.047 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.771 -0.115 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.307 -0.587 -8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.249 1.149 -9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -3.731 2.081 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.489 2.655 -7.442 1.00 0.00 H new ATOM 381 N GLU A 176 -1.479 -3.244 -1.786 1.00 0.00 N ATOM 382 CA GLU A 176 -0.665 -2.853 -0.654 1.00 0.00 C ATOM 383 C GLU A 176 0.626 -3.689 -0.657 1.00 0.00 C ATOM 384 O GLU A 176 1.729 -3.155 -0.526 1.00 0.00 O ATOM 385 CB GLU A 176 -1.461 -3.087 0.642 1.00 0.00 C ATOM 386 CG GLU A 176 -1.334 -1.989 1.700 1.00 0.00 C ATOM 387 CD GLU A 176 0.065 -1.791 2.230 1.00 0.00 C ATOM 388 OE1 GLU A 176 0.463 -2.530 3.144 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.771 -0.866 1.773 1.00 0.00 O ATOM 0 H GLU A 176 -2.344 -3.721 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.403 -1.797 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.514 -3.200 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.137 -4.030 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.684 -1.049 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.995 -2.227 2.534 1.00 0.00 H new ATOM 396 N GLU A 177 0.483 -4.996 -0.871 1.00 0.00 N ATOM 397 CA GLU A 177 1.621 -5.901 -0.879 1.00 0.00 C ATOM 398 C GLU A 177 2.620 -5.608 -1.965 1.00 0.00 C ATOM 399 O GLU A 177 3.807 -5.668 -1.702 1.00 0.00 O ATOM 400 CB GLU A 177 1.242 -7.374 -0.927 1.00 0.00 C ATOM 401 CG GLU A 177 0.601 -7.914 0.330 1.00 0.00 C ATOM 402 CD GLU A 177 0.562 -9.413 0.303 1.00 0.00 C ATOM 403 OE1 GLU A 177 -0.282 -9.990 -0.389 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.449 -10.054 0.930 1.00 0.00 O ATOM 0 H GLU A 177 -0.415 -5.449 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 177 2.094 -5.707 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.557 -7.530 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 177 2.139 -7.957 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 177 1.159 -7.575 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.411 -7.521 0.426 1.00 0.00 H new ATOM 411 N ARG A 178 2.169 -5.277 -3.183 1.00 0.00 N ATOM 412 CA ARG A 178 3.125 -5.002 -4.255 1.00 0.00 C ATOM 413 C ARG A 178 3.997 -3.803 -3.924 1.00 0.00 C ATOM 414 O ARG A 178 5.183 -3.765 -4.280 1.00 0.00 O ATOM 415 CB ARG A 178 2.486 -4.835 -5.639 1.00 0.00 C ATOM 416 CG ARG A 178 1.544 -3.662 -5.802 1.00 0.00 C ATOM 417 CD ARG A 178 1.303 -3.415 -7.270 1.00 0.00 C ATOM 418 NE ARG A 178 0.336 -2.343 -7.554 1.00 0.00 N ATOM 419 CZ ARG A 178 0.549 -1.012 -7.427 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.608 -0.529 -6.772 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.312 -0.174 -7.949 1.00 0.00 N ATOM 0 H ARG A 178 1.186 -5.196 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 178 3.748 -5.894 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.284 -4.739 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.941 -5.748 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.600 -3.866 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.969 -2.772 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.252 -3.167 -7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.949 -4.338 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 178 -0.587 -2.631 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.282 -1.168 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.742 0.479 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.131 -0.527 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.163 0.831 -7.860 1.00 0.00 H new ATOM 435 N LEU A 179 3.428 -2.842 -3.228 1.00 0.00 N ATOM 436 CA LEU A 179 4.191 -1.698 -2.805 1.00 0.00 C ATOM 437 C LEU A 179 5.111 -2.110 -1.657 1.00 0.00 C ATOM 438 O LEU A 179 6.306 -1.816 -1.666 1.00 0.00 O ATOM 439 CB LEU A 179 3.264 -0.558 -2.371 1.00 0.00 C ATOM 440 CG LEU A 179 3.952 0.752 -1.966 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.704 1.358 -3.145 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.943 1.738 -1.415 1.00 0.00 C ATOM 0 H LEU A 179 2.447 -2.834 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 179 4.792 -1.337 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.575 -0.346 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.664 -0.905 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 179 4.675 0.525 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 179 5.183 2.286 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 179 5.463 0.657 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.005 1.566 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.452 2.660 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.193 1.955 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.457 1.310 -0.538 1.00 0.00 H new ATOM 454 N ARG A 180 4.553 -2.847 -0.715 1.00 0.00 N ATOM 455 CA ARG A 180 5.263 -3.291 0.470 1.00 0.00 C ATOM 456 C ARG A 180 6.473 -4.198 0.124 1.00 0.00 C ATOM 457 O ARG A 180 7.547 -4.031 0.687 1.00 0.00 O ATOM 458 CB ARG A 180 4.263 -3.951 1.472 1.00 0.00 C ATOM 459 CG ARG A 180 4.848 -4.333 2.831 1.00 0.00 C ATOM 460 CD ARG A 180 5.556 -5.670 2.798 1.00 0.00 C ATOM 461 NE ARG A 180 6.427 -5.853 3.944 1.00 0.00 N ATOM 462 CZ ARG A 180 7.367 -6.786 4.017 1.00 0.00 C ATOM 463 NH1 ARG A 180 7.333 -7.839 3.196 1.00 0.00 N ATOM 464 NH2 ARG A 180 8.304 -6.712 4.947 1.00 0.00 N ATOM 0 H ARG A 180 3.582 -3.158 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 180 5.696 -2.421 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.432 -3.264 1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 180 3.850 -4.847 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 180 5.548 -3.562 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 180 4.049 -4.366 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.817 -6.471 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 180 6.141 -5.748 1.882 1.00 0.00 H new ATOM 0 HE ARG A 180 6.309 -5.227 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.583 -7.927 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 180 8.057 -8.555 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 180 8.305 -5.937 5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 180 9.026 -7.430 5.002 1.00 0.00 H new ATOM 478 N GLN A 181 6.301 -5.137 -0.804 1.00 0.00 N ATOM 479 CA GLN A 181 7.391 -6.030 -1.197 1.00 0.00 C ATOM 480 C GLN A 181 8.514 -5.251 -1.865 1.00 0.00 C ATOM 481 O GLN A 181 9.690 -5.513 -1.633 1.00 0.00 O ATOM 482 CB GLN A 181 6.885 -7.157 -2.101 1.00 0.00 C ATOM 483 CG GLN A 181 6.216 -6.690 -3.380 1.00 0.00 C ATOM 484 CD GLN A 181 5.759 -7.827 -4.259 1.00 0.00 C ATOM 485 OE1 GLN A 181 5.452 -8.914 -3.788 1.00 0.00 O ATOM 486 NE2 GLN A 181 5.706 -7.595 -5.534 1.00 0.00 N ATOM 0 H GLN A 181 5.422 -5.300 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 181 7.792 -6.489 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.725 -7.801 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.178 -7.766 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.358 -6.067 -3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.911 -6.064 -3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.968 -6.679 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 181 5.402 -8.329 -6.174 1.00 0.00 H new ATOM 495 N TYR A 182 8.135 -4.264 -2.654 1.00 0.00 N ATOM 496 CA TYR A 182 9.082 -3.390 -3.321 1.00 0.00 C ATOM 497 C TYR A 182 9.849 -2.580 -2.275 1.00 0.00 C ATOM 498 O TYR A 182 11.074 -2.454 -2.338 1.00 0.00 O ATOM 499 CB TYR A 182 8.333 -2.478 -4.307 1.00 0.00 C ATOM 500 CG TYR A 182 9.176 -1.435 -5.008 1.00 0.00 C ATOM 501 CD1 TYR A 182 10.081 -1.786 -6.001 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.055 -0.095 -4.678 1.00 0.00 C ATOM 503 CE1 TYR A 182 10.840 -0.823 -6.641 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.804 0.868 -5.314 1.00 0.00 C ATOM 505 CZ TYR A 182 10.693 0.507 -6.291 1.00 0.00 C ATOM 506 OH TYR A 182 11.447 1.488 -6.927 1.00 0.00 O ATOM 0 H TYR A 182 7.159 -4.045 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 182 9.803 -3.978 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.859 -3.104 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.534 -1.970 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 182 10.194 -2.824 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 182 8.359 0.199 -3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 182 11.543 -1.108 -7.410 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.691 1.907 -5.043 1.00 0.00 H new ATOM 0 HH TYR A 182 11.217 2.367 -6.560 1.00 0.00 H new ATOM 516 N ALA A 183 9.117 -2.103 -1.282 1.00 0.00 N ATOM 517 CA ALA A 183 9.675 -1.334 -0.183 1.00 0.00 C ATOM 518 C ALA A 183 10.560 -2.197 0.727 1.00 0.00 C ATOM 519 O ALA A 183 11.387 -1.675 1.468 1.00 0.00 O ATOM 520 CB ALA A 183 8.559 -0.689 0.619 1.00 0.00 C ATOM 0 H ALA A 183 8.108 -2.240 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 183 10.308 -0.556 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.987 -0.115 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.984 -0.026 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.904 -1.463 1.019 1.00 0.00 H new ATOM 526 N GLU A 184 10.350 -3.503 0.709 1.00 0.00 N ATOM 527 CA GLU A 184 11.183 -4.420 1.471 1.00 0.00 C ATOM 528 C GLU A 184 12.448 -4.759 0.694 1.00 0.00 C ATOM 529 O GLU A 184 13.556 -4.660 1.213 1.00 0.00 O ATOM 530 CB GLU A 184 10.425 -5.718 1.825 1.00 0.00 C ATOM 531 CG GLU A 184 11.294 -6.757 2.544 1.00 0.00 C ATOM 532 CD GLU A 184 10.565 -8.038 2.873 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.212 -8.801 1.948 1.00 0.00 O ATOM 534 OE2 GLU A 184 10.320 -8.309 4.074 1.00 0.00 O ATOM 0 H GLU A 184 9.608 -3.953 0.174 1.00 0.00 H new ATOM 0 HA GLU A 184 11.452 -3.920 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.572 -5.470 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.028 -6.158 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.156 -6.991 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.677 -6.321 3.466 1.00 0.00 H new ATOM 541 N LYS A 185 12.278 -5.139 -0.550 1.00 0.00 N ATOM 542 CA LYS A 185 13.391 -5.577 -1.374 1.00 0.00 C ATOM 543 C LYS A 185 14.320 -4.436 -1.732 1.00 0.00 C ATOM 544 O LYS A 185 15.533 -4.584 -1.697 1.00 0.00 O ATOM 545 CB LYS A 185 12.889 -6.293 -2.625 1.00 0.00 C ATOM 546 CG LYS A 185 12.081 -7.540 -2.308 1.00 0.00 C ATOM 547 CD LYS A 185 11.638 -8.264 -3.561 1.00 0.00 C ATOM 548 CE LYS A 185 10.844 -9.513 -3.217 1.00 0.00 C ATOM 549 NZ LYS A 185 11.648 -10.491 -2.448 1.00 0.00 N ATOM 0 H LYS A 185 11.374 -5.155 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 185 13.973 -6.285 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.275 -5.607 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.741 -6.567 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 185 12.679 -8.213 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.205 -7.265 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.029 -7.599 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.510 -8.536 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 185 9.963 -9.234 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.488 -9.980 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.153 -11.405 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 12.576 -10.611 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 11.781 -10.144 -1.477 1.00 0.00 H new ATOM 563 N LYS A 186 13.757 -3.300 -2.041 1.00 0.00 N ATOM 564 CA LYS A 186 14.536 -2.131 -2.401 1.00 0.00 C ATOM 565 C LYS A 186 14.440 -1.122 -1.266 1.00 0.00 C ATOM 566 O LYS A 186 14.341 0.089 -1.494 1.00 0.00 O ATOM 567 CB LYS A 186 14.003 -1.534 -3.717 1.00 0.00 C ATOM 568 CG LYS A 186 14.023 -2.499 -4.908 1.00 0.00 C ATOM 569 CD LYS A 186 15.436 -2.960 -5.247 1.00 0.00 C ATOM 570 CE LYS A 186 15.429 -3.961 -6.396 1.00 0.00 C ATOM 571 NZ LYS A 186 16.784 -4.437 -6.718 1.00 0.00 N ATOM 0 H LYS A 186 12.748 -3.151 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 186 15.581 -2.401 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.980 -1.194 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 186 14.596 -0.655 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.403 -3.367 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.583 -2.011 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.048 -2.099 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.894 -3.414 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.799 -4.811 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 186 14.988 -3.498 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 16.736 -5.116 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 17.379 -3.630 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.196 -4.902 -5.884 1.00 0.00 H new ATOM 585 N ALA A 187 14.513 -1.644 -0.044 1.00 0.00 N ATOM 586 CA ALA A 187 14.373 -0.865 1.185 1.00 0.00 C ATOM 587 C ALA A 187 15.400 0.239 1.299 1.00 0.00 C ATOM 588 O ALA A 187 15.098 1.329 1.783 1.00 0.00 O ATOM 589 CB ALA A 187 14.460 -1.771 2.402 1.00 0.00 C ATOM 0 H ALA A 187 14.674 -2.637 0.123 1.00 0.00 H new ATOM 0 HA ALA A 187 13.391 -0.394 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.354 -1.174 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.663 -2.513 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 187 15.426 -2.276 2.411 1.00 0.00 H new ATOM 595 N LYS A 188 16.595 -0.025 0.861 1.00 0.00 N ATOM 596 CA LYS A 188 17.636 0.942 0.961 1.00 0.00 C ATOM 597 C LYS A 188 18.348 1.128 -0.355 1.00 0.00 C ATOM 598 O LYS A 188 19.025 0.234 -0.854 1.00 0.00 O ATOM 599 CB LYS A 188 18.623 0.600 2.101 1.00 0.00 C ATOM 600 CG LYS A 188 19.851 1.517 2.179 1.00 0.00 C ATOM 601 CD LYS A 188 19.467 2.988 2.311 1.00 0.00 C ATOM 602 CE LYS A 188 20.696 3.869 2.252 1.00 0.00 C ATOM 603 NZ LYS A 188 20.361 5.307 2.241 1.00 0.00 N ATOM 0 H LYS A 188 16.869 -0.908 0.430 1.00 0.00 H new ATOM 0 HA LYS A 188 17.170 1.895 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 188 18.091 0.646 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.961 -0.428 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.465 1.226 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.460 1.381 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.778 3.262 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 188 18.943 3.149 3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 188 21.334 3.655 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 188 21.271 3.626 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.236 5.867 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 19.774 5.520 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.836 5.548 3.106 1.00 0.00 H new ATOM 617 N LYS A 189 18.138 2.264 -0.936 1.00 0.00 N ATOM 618 CA LYS A 189 18.857 2.668 -2.100 1.00 0.00 C ATOM 619 C LYS A 189 20.053 3.494 -1.679 1.00 0.00 C ATOM 620 O LYS A 189 19.906 4.481 -0.957 1.00 0.00 O ATOM 621 CB LYS A 189 17.966 3.464 -3.046 1.00 0.00 C ATOM 622 CG LYS A 189 16.973 2.620 -3.814 1.00 0.00 C ATOM 623 CD LYS A 189 16.020 3.490 -4.609 1.00 0.00 C ATOM 624 CE LYS A 189 15.194 2.663 -5.570 1.00 0.00 C ATOM 625 NZ LYS A 189 16.039 2.066 -6.637 1.00 0.00 N ATOM 0 H LYS A 189 17.453 2.947 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 189 19.194 1.780 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 189 17.422 4.214 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 189 18.596 4.001 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 189 17.505 1.948 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 189 16.409 1.995 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 189 15.360 4.027 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 189 16.585 4.240 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 189 14.682 1.871 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 189 14.424 3.288 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 15.441 1.802 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 16.751 2.759 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 16.516 1.219 -6.268 1.00 0.00 H new ATOM 639 N PRO A 190 21.268 3.078 -2.069 1.00 0.00 N ATOM 640 CA PRO A 190 22.484 3.825 -1.757 1.00 0.00 C ATOM 641 C PRO A 190 22.578 5.095 -2.592 1.00 0.00 C ATOM 642 O PRO A 190 23.307 6.021 -2.258 1.00 0.00 O ATOM 643 CB PRO A 190 23.611 2.855 -2.124 1.00 0.00 C ATOM 644 CG PRO A 190 23.019 1.950 -3.144 1.00 0.00 C ATOM 645 CD PRO A 190 21.558 1.830 -2.806 1.00 0.00 C ATOM 0 HA PRO A 190 22.520 4.148 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 190 24.476 3.386 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 190 23.952 2.298 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 190 23.154 2.354 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 190 23.504 0.974 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 190 20.945 1.742 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 190 21.359 0.949 -2.196 1.00 0.00 H new ATOM 653 N ALA A 191 21.827 5.117 -3.672 1.00 0.00 N ATOM 654 CA ALA A 191 21.752 6.232 -4.557 1.00 0.00 C ATOM 655 C ALA A 191 20.411 6.194 -5.229 1.00 0.00 C ATOM 656 O ALA A 191 19.800 5.116 -5.330 1.00 0.00 O ATOM 657 CB ALA A 191 22.863 6.175 -5.597 1.00 0.00 C ATOM 0 H ALA A 191 21.240 4.332 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 191 21.874 7.159 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 191 22.785 7.036 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 191 23.831 6.189 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 191 22.769 5.258 -6.179 1.00 0.00 H new ATOM 663 N LEU A 192 19.932 7.333 -5.637 1.00 0.00 N ATOM 664 CA LEU A 192 18.681 7.423 -6.339 1.00 0.00 C ATOM 665 C LEU A 192 18.879 7.194 -7.836 1.00 0.00 C ATOM 666 O LEU A 192 19.371 8.070 -8.527 1.00 0.00 O ATOM 667 CB LEU A 192 17.881 8.717 -5.959 1.00 0.00 C ATOM 668 CG LEU A 192 18.649 10.067 -5.806 1.00 0.00 C ATOM 669 CD1 LEU A 192 19.082 10.674 -7.134 1.00 0.00 C ATOM 670 CD2 LEU A 192 17.822 11.061 -5.007 1.00 0.00 C ATOM 671 OXT LEU A 192 18.609 6.072 -8.311 1.00 0.00 O ATOM 0 H LEU A 192 20.398 8.229 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 192 18.032 6.612 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 192 17.111 8.861 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 192 17.369 8.522 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 192 19.566 9.838 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 192 19.610 11.610 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 192 19.743 9.980 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 192 18.203 10.867 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 192 18.372 11.997 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 192 16.879 11.246 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 192 17.621 10.654 -4.016 1.00 0.00 H new TER 683 LEU A 192