USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 172:sc= 1.22 USER MOD Single : A 164 ASN : amide:sc= -0.909 K(o=-0.91,f=-13!) 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) USER MOD Single : A 181 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.7) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 189 LYS NZ :NH3+ -124:sc= 1.08 (180deg=0.0404) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -16.277 27.009 -5.649 1.00 0.00 N ATOM 2 CA GLY A 149 -16.615 26.642 -4.276 1.00 0.00 C ATOM 3 C GLY A 149 -15.390 26.150 -3.534 1.00 0.00 C ATOM 4 O GLY A 149 -14.318 26.747 -3.667 1.00 0.00 O ATOM 0 HA2 GLY A 149 -17.038 27.503 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -17.380 25.865 -4.280 1.00 0.00 H new ATOM 10 N PRO A 150 -15.495 25.049 -2.754 1.00 0.00 N ATOM 11 CA PRO A 150 -14.362 24.510 -1.999 1.00 0.00 C ATOM 12 C PRO A 150 -13.451 23.608 -2.850 1.00 0.00 C ATOM 13 O PRO A 150 -12.509 22.991 -2.334 1.00 0.00 O ATOM 14 CB PRO A 150 -15.043 23.687 -0.908 1.00 0.00 C ATOM 15 CG PRO A 150 -16.300 23.191 -1.542 1.00 0.00 C ATOM 16 CD PRO A 150 -16.736 24.261 -2.516 1.00 0.00 C ATOM 0 HA PRO A 150 -13.707 25.299 -1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -14.411 22.861 -0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -15.255 24.294 -0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -16.129 22.245 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -17.070 23.012 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -17.119 23.829 -3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -17.530 24.881 -2.101 1.00 0.00 H new ATOM 24 N GLY A 151 -13.770 23.479 -4.133 1.00 0.00 N ATOM 25 CA GLY A 151 -12.963 22.678 -5.041 1.00 0.00 C ATOM 26 C GLY A 151 -13.314 21.205 -4.973 1.00 0.00 C ATOM 27 O GLY A 151 -13.532 20.554 -5.998 1.00 0.00 O ATOM 0 H GLY A 151 -14.582 23.919 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -13.103 23.036 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -11.908 22.810 -4.799 1.00 0.00 H new ATOM 31 N SER A 152 -13.391 20.697 -3.770 1.00 0.00 N ATOM 32 CA SER A 152 -13.723 19.316 -3.475 1.00 0.00 C ATOM 33 C SER A 152 -15.246 19.084 -3.664 1.00 0.00 C ATOM 34 O SER A 152 -15.930 18.562 -2.781 1.00 0.00 O ATOM 35 CB SER A 152 -13.323 19.085 -2.022 1.00 0.00 C ATOM 36 OG SER A 152 -11.992 19.564 -1.798 1.00 0.00 O ATOM 0 H SER A 152 -13.218 21.252 -2.932 1.00 0.00 H new ATOM 0 HA SER A 152 -13.204 18.626 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 152 -14.019 19.598 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 152 -13.381 18.023 -1.785 1.00 0.00 H new ATOM 0 HG SER A 152 -11.743 19.414 -0.862 1.00 0.00 H new ATOM 42 N GLU A 153 -15.731 19.426 -4.834 1.00 0.00 N ATOM 43 CA GLU A 153 -17.140 19.407 -5.139 1.00 0.00 C ATOM 44 C GLU A 153 -17.627 17.972 -5.392 1.00 0.00 C ATOM 45 O GLU A 153 -18.655 17.546 -4.861 1.00 0.00 O ATOM 46 CB GLU A 153 -17.377 20.269 -6.371 1.00 0.00 C ATOM 47 CG GLU A 153 -18.801 20.729 -6.533 1.00 0.00 C ATOM 48 CD GLU A 153 -19.221 21.622 -5.397 1.00 0.00 C ATOM 49 OE1 GLU A 153 -18.824 22.814 -5.384 1.00 0.00 O ATOM 50 OE2 GLU A 153 -19.960 21.167 -4.501 1.00 0.00 O ATOM 0 H GLU A 153 -15.147 19.730 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 153 -17.701 19.801 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -16.727 21.143 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -17.085 19.706 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -18.907 21.264 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -19.462 19.863 -6.581 1.00 0.00 H new ATOM 57 N ASP A 154 -16.870 17.228 -6.176 1.00 0.00 N ATOM 58 CA ASP A 154 -17.219 15.833 -6.535 1.00 0.00 C ATOM 59 C ASP A 154 -16.438 14.875 -5.668 1.00 0.00 C ATOM 60 O ASP A 154 -16.375 13.680 -5.943 1.00 0.00 O ATOM 61 CB ASP A 154 -16.856 15.523 -8.002 1.00 0.00 C ATOM 62 CG ASP A 154 -17.603 16.324 -9.030 1.00 0.00 C ATOM 63 OD1 ASP A 154 -18.705 15.910 -9.437 1.00 0.00 O ATOM 64 OD2 ASP A 154 -17.076 17.370 -9.497 1.00 0.00 O ATOM 0 H ASP A 154 -15.997 17.555 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 154 -18.293 15.718 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -15.788 15.693 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -17.037 14.464 -8.188 1.00 0.00 H new ATOM 69 N ASP A 155 -15.859 15.414 -4.622 1.00 0.00 N ATOM 70 CA ASP A 155 -14.955 14.676 -3.739 1.00 0.00 C ATOM 71 C ASP A 155 -15.620 13.502 -3.054 1.00 0.00 C ATOM 72 O ASP A 155 -15.147 12.372 -3.154 1.00 0.00 O ATOM 73 CB ASP A 155 -14.351 15.606 -2.692 1.00 0.00 C ATOM 74 CG ASP A 155 -13.412 14.889 -1.747 1.00 0.00 C ATOM 75 OD1 ASP A 155 -12.217 14.759 -2.066 1.00 0.00 O ATOM 76 OD2 ASP A 155 -13.845 14.465 -0.658 1.00 0.00 O ATOM 0 H ASP A 155 -15.996 16.387 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 155 -14.168 14.273 -4.377 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -13.812 16.410 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -15.153 16.070 -2.118 1.00 0.00 H new ATOM 81 N ASP A 156 -16.709 13.760 -2.377 1.00 0.00 N ATOM 82 CA ASP A 156 -17.370 12.727 -1.603 1.00 0.00 C ATOM 83 C ASP A 156 -18.367 11.988 -2.469 1.00 0.00 C ATOM 84 O ASP A 156 -18.495 10.759 -2.390 1.00 0.00 O ATOM 85 CB ASP A 156 -18.076 13.327 -0.386 1.00 0.00 C ATOM 86 CG ASP A 156 -18.453 12.287 0.643 1.00 0.00 C ATOM 87 OD1 ASP A 156 -17.622 11.995 1.510 1.00 0.00 O ATOM 88 OD2 ASP A 156 -19.581 11.764 0.629 1.00 0.00 O ATOM 0 H ASP A 156 -17.161 14.674 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 156 -16.614 12.026 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -17.426 14.070 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -18.975 13.850 -0.714 1.00 0.00 H new ATOM 93 N ILE A 157 -19.057 12.726 -3.313 1.00 0.00 N ATOM 94 CA ILE A 157 -20.036 12.139 -4.197 1.00 0.00 C ATOM 95 C ILE A 157 -19.376 11.780 -5.527 1.00 0.00 C ATOM 96 O ILE A 157 -19.279 12.605 -6.441 1.00 0.00 O ATOM 97 CB ILE A 157 -21.252 13.075 -4.456 1.00 0.00 C ATOM 98 CG1 ILE A 157 -21.855 13.552 -3.126 1.00 0.00 C ATOM 99 CG2 ILE A 157 -22.318 12.333 -5.275 1.00 0.00 C ATOM 100 CD1 ILE A 157 -22.988 14.551 -3.281 1.00 0.00 C ATOM 0 H ILE A 157 -18.956 13.737 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 157 -20.417 11.244 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 157 -20.909 13.945 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -22.221 12.686 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -21.067 14.004 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -23.166 12.994 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -21.893 12.024 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -22.653 11.454 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -23.358 14.837 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -22.624 15.436 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -23.796 14.098 -3.855 1.00 0.00 H new ATOM 112 N ASP A 158 -18.878 10.579 -5.598 1.00 0.00 N ATOM 113 CA ASP A 158 -18.245 10.066 -6.803 1.00 0.00 C ATOM 114 C ASP A 158 -19.149 8.997 -7.365 1.00 0.00 C ATOM 115 O ASP A 158 -19.899 8.382 -6.607 1.00 0.00 O ATOM 116 CB ASP A 158 -16.868 9.471 -6.471 1.00 0.00 C ATOM 117 CG ASP A 158 -16.101 8.999 -7.696 1.00 0.00 C ATOM 118 OD1 ASP A 158 -15.337 9.802 -8.266 1.00 0.00 O ATOM 119 OD2 ASP A 158 -16.215 7.817 -8.086 1.00 0.00 O ATOM 0 H ASP A 158 -18.894 9.916 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 158 -18.096 10.867 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -16.274 10.220 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -16.999 8.632 -5.788 1.00 0.00 H new ATOM 124 N LEU A 159 -19.110 8.772 -8.651 1.00 0.00 N ATOM 125 CA LEU A 159 -19.980 7.781 -9.270 1.00 0.00 C ATOM 126 C LEU A 159 -19.197 6.791 -10.123 1.00 0.00 C ATOM 127 O LEU A 159 -19.778 6.053 -10.914 1.00 0.00 O ATOM 128 CB LEU A 159 -21.059 8.474 -10.118 1.00 0.00 C ATOM 129 CG LEU A 159 -22.074 9.341 -9.359 1.00 0.00 C ATOM 130 CD1 LEU A 159 -23.005 10.038 -10.334 1.00 0.00 C ATOM 131 CD2 LEU A 159 -22.878 8.493 -8.377 1.00 0.00 C ATOM 0 H LEU A 159 -18.489 9.256 -9.299 1.00 0.00 H new ATOM 0 HA LEU A 159 -20.458 7.219 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -20.561 9.100 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -21.607 7.707 -10.666 1.00 0.00 H new ATOM 0 HG LEU A 159 -21.526 10.096 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -23.719 10.649 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -22.423 10.674 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -23.542 9.293 -10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -23.592 9.126 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -23.415 7.717 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -22.202 8.030 -7.658 1.00 0.00 H new ATOM 143 N PHE A 160 -17.899 6.744 -9.943 1.00 0.00 N ATOM 144 CA PHE A 160 -17.079 5.849 -10.734 1.00 0.00 C ATOM 145 C PHE A 160 -16.527 4.720 -9.873 1.00 0.00 C ATOM 146 O PHE A 160 -16.614 3.531 -10.237 1.00 0.00 O ATOM 147 CB PHE A 160 -15.935 6.624 -11.416 1.00 0.00 C ATOM 148 CG PHE A 160 -15.041 5.773 -12.283 1.00 0.00 C ATOM 149 CD1 PHE A 160 -15.474 5.332 -13.524 1.00 0.00 C ATOM 150 CD2 PHE A 160 -13.771 5.412 -11.855 1.00 0.00 C ATOM 151 CE1 PHE A 160 -14.663 4.546 -14.320 1.00 0.00 C ATOM 152 CE2 PHE A 160 -12.956 4.625 -12.646 1.00 0.00 C ATOM 153 CZ PHE A 160 -13.403 4.194 -13.881 1.00 0.00 C ATOM 0 H PHE A 160 -17.389 7.308 -9.263 1.00 0.00 H new ATOM 0 HA PHE A 160 -17.705 5.408 -11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -16.363 7.419 -12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -15.328 7.103 -10.648 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -16.458 5.607 -13.873 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -13.416 5.750 -10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -15.014 4.208 -15.284 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -11.971 4.347 -12.300 1.00 0.00 H new ATOM 0 HZ PHE A 160 -12.766 3.582 -14.502 1.00 0.00 H new ATOM 163 N GLY A 161 -15.986 5.082 -8.738 1.00 0.00 N ATOM 164 CA GLY A 161 -15.380 4.115 -7.867 1.00 0.00 C ATOM 165 C GLY A 161 -15.719 4.403 -6.442 1.00 0.00 C ATOM 166 O GLY A 161 -14.843 4.714 -5.630 1.00 0.00 O ATOM 0 H GLY A 161 -15.954 6.043 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -15.722 3.115 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -14.298 4.127 -7.998 1.00 0.00 H new ATOM 170 N SER A 162 -16.965 4.292 -6.123 1.00 0.00 N ATOM 171 CA SER A 162 -17.446 4.646 -4.812 1.00 0.00 C ATOM 172 C SER A 162 -18.478 3.648 -4.325 1.00 0.00 C ATOM 173 O SER A 162 -19.225 3.921 -3.376 1.00 0.00 O ATOM 174 CB SER A 162 -18.101 6.006 -4.949 1.00 0.00 C ATOM 175 OG SER A 162 -19.056 5.973 -6.018 1.00 0.00 O ATOM 0 H SER A 162 -17.687 3.953 -6.759 1.00 0.00 H new ATOM 0 HA SER A 162 -16.624 4.653 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 162 -18.594 6.280 -4.016 1.00 0.00 H new ATOM 0 HB3 SER A 162 -17.346 6.767 -5.146 1.00 0.00 H new ATOM 0 HG SER A 162 -19.574 6.805 -6.020 1.00 0.00 H new ATOM 181 N ASP A 163 -18.488 2.495 -4.912 1.00 0.00 N ATOM 182 CA ASP A 163 -19.584 1.579 -4.703 1.00 0.00 C ATOM 183 C ASP A 163 -19.423 0.686 -3.509 1.00 0.00 C ATOM 184 O ASP A 163 -20.091 0.881 -2.483 1.00 0.00 O ATOM 185 CB ASP A 163 -19.863 0.739 -5.944 1.00 0.00 C ATOM 186 CG ASP A 163 -20.203 1.570 -7.140 1.00 0.00 C ATOM 187 OD1 ASP A 163 -21.382 1.972 -7.285 1.00 0.00 O ATOM 188 OD2 ASP A 163 -19.296 1.832 -7.948 1.00 0.00 O ATOM 0 H ASP A 163 -17.758 2.158 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 163 -20.441 2.221 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -18.989 0.128 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -20.686 0.054 -5.737 1.00 0.00 H new ATOM 193 N ASN A 164 -18.536 -0.268 -3.606 1.00 0.00 N ATOM 194 CA ASN A 164 -18.459 -1.302 -2.604 1.00 0.00 C ATOM 195 C ASN A 164 -17.168 -1.238 -1.787 1.00 0.00 C ATOM 196 O ASN A 164 -17.222 -1.004 -0.574 1.00 0.00 O ATOM 197 CB ASN A 164 -18.728 -2.685 -3.267 1.00 0.00 C ATOM 198 CG ASN A 164 -18.735 -3.867 -2.312 1.00 0.00 C ATOM 199 OD1 ASN A 164 -17.965 -3.936 -1.396 1.00 0.00 O ATOM 200 ND2 ASN A 164 -19.633 -4.796 -2.517 1.00 0.00 N ATOM 0 H ASN A 164 -17.859 -0.353 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 164 -19.241 -1.139 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -19.690 -2.645 -3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -17.969 -2.859 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -19.688 -5.599 -1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -20.278 -4.717 -3.303 1.00 0.00 H new ATOM 207 N GLU A 165 -16.027 -1.482 -2.440 1.00 0.00 N ATOM 208 CA GLU A 165 -14.667 -1.428 -1.841 1.00 0.00 C ATOM 209 C GLU A 165 -14.320 -2.625 -0.947 1.00 0.00 C ATOM 210 O GLU A 165 -13.160 -3.026 -0.868 1.00 0.00 O ATOM 211 CB GLU A 165 -14.342 -0.094 -1.125 1.00 0.00 C ATOM 212 CG GLU A 165 -14.150 1.118 -2.039 1.00 0.00 C ATOM 213 CD GLU A 165 -15.390 1.523 -2.793 1.00 0.00 C ATOM 214 OE1 GLU A 165 -16.226 2.259 -2.226 1.00 0.00 O ATOM 215 OE2 GLU A 165 -15.526 1.131 -3.970 1.00 0.00 O ATOM 0 H GLU A 165 -16.012 -1.731 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 165 -14.017 -1.489 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -15.147 0.126 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.435 -0.230 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -13.811 1.962 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -13.358 0.898 -2.755 1.00 0.00 H new ATOM 222 N GLU A 166 -15.296 -3.190 -0.272 1.00 0.00 N ATOM 223 CA GLU A 166 -15.047 -4.352 0.574 1.00 0.00 C ATOM 224 C GLU A 166 -15.078 -5.643 -0.225 1.00 0.00 C ATOM 225 O GLU A 166 -14.529 -6.662 0.195 1.00 0.00 O ATOM 226 CB GLU A 166 -15.969 -4.393 1.789 1.00 0.00 C ATOM 227 CG GLU A 166 -17.426 -4.147 1.492 1.00 0.00 C ATOM 228 CD GLU A 166 -18.301 -4.337 2.683 1.00 0.00 C ATOM 229 OE1 GLU A 166 -18.129 -3.633 3.695 1.00 0.00 O ATOM 230 OE2 GLU A 166 -19.201 -5.197 2.630 1.00 0.00 O ATOM 0 H GLU A 166 -16.265 -2.872 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 166 -14.036 -4.250 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -15.871 -5.367 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -15.630 -3.648 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -17.548 -3.131 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -17.749 -4.822 0.699 1.00 0.00 H new ATOM 237 N GLU A 167 -15.740 -5.602 -1.367 1.00 0.00 N ATOM 238 CA GLU A 167 -15.714 -6.709 -2.321 1.00 0.00 C ATOM 239 C GLU A 167 -14.340 -6.742 -2.964 1.00 0.00 C ATOM 240 O GLU A 167 -13.787 -7.794 -3.259 1.00 0.00 O ATOM 241 CB GLU A 167 -16.773 -6.494 -3.397 1.00 0.00 C ATOM 242 CG GLU A 167 -16.786 -7.552 -4.482 1.00 0.00 C ATOM 243 CD GLU A 167 -17.772 -7.239 -5.560 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.432 -6.469 -6.489 1.00 0.00 O ATOM 245 OE2 GLU A 167 -18.907 -7.755 -5.515 1.00 0.00 O ATOM 0 H GLU A 167 -16.309 -4.809 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 167 -15.921 -7.649 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.754 -6.465 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -16.612 -5.520 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -15.790 -7.638 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -17.026 -8.520 -4.041 1.00 0.00 H new ATOM 252 N ASP A 168 -13.775 -5.557 -3.088 1.00 0.00 N ATOM 253 CA ASP A 168 -12.461 -5.308 -3.686 1.00 0.00 C ATOM 254 C ASP A 168 -11.354 -5.638 -2.666 1.00 0.00 C ATOM 255 O ASP A 168 -10.291 -4.995 -2.633 1.00 0.00 O ATOM 256 CB ASP A 168 -12.374 -3.812 -4.077 1.00 0.00 C ATOM 257 CG ASP A 168 -13.435 -3.366 -5.075 1.00 0.00 C ATOM 258 OD1 ASP A 168 -14.599 -3.072 -4.668 1.00 0.00 O ATOM 259 OD2 ASP A 168 -13.139 -3.295 -6.279 1.00 0.00 O ATOM 0 H ASP A 168 -14.229 -4.703 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.329 -5.935 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.462 -3.206 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.388 -3.615 -4.499 1.00 0.00 H new ATOM 264 N LYS A 169 -11.595 -6.682 -1.887 1.00 0.00 N ATOM 265 CA LYS A 169 -10.729 -7.117 -0.808 1.00 0.00 C ATOM 266 C LYS A 169 -9.366 -7.559 -1.318 1.00 0.00 C ATOM 267 O LYS A 169 -8.346 -7.190 -0.749 1.00 0.00 O ATOM 268 CB LYS A 169 -11.404 -8.249 -0.004 1.00 0.00 C ATOM 269 CG LYS A 169 -10.549 -8.857 1.115 1.00 0.00 C ATOM 270 CD LYS A 169 -10.168 -7.845 2.192 1.00 0.00 C ATOM 271 CE LYS A 169 -9.289 -8.493 3.256 1.00 0.00 C ATOM 272 NZ LYS A 169 -8.896 -7.551 4.316 1.00 0.00 N ATOM 0 H LYS A 169 -12.425 -7.266 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.566 -6.264 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.325 -7.863 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.688 -9.043 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -11.095 -9.681 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.641 -9.278 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -9.640 -7.006 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.069 -7.442 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.823 -9.333 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.394 -8.898 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.300 -8.042 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.362 -6.762 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.747 -7.183 4.786 1.00 0.00 H new ATOM 286 N GLU A 170 -9.340 -8.300 -2.408 1.00 0.00 N ATOM 287 CA GLU A 170 -8.083 -8.799 -2.937 1.00 0.00 C ATOM 288 C GLU A 170 -7.299 -7.676 -3.556 1.00 0.00 C ATOM 289 O GLU A 170 -6.100 -7.621 -3.413 1.00 0.00 O ATOM 290 CB GLU A 170 -8.239 -9.972 -3.935 1.00 0.00 C ATOM 291 CG GLU A 170 -9.036 -9.674 -5.203 1.00 0.00 C ATOM 292 CD GLU A 170 -10.486 -9.452 -4.924 1.00 0.00 C ATOM 293 OE1 GLU A 170 -11.232 -10.444 -4.864 1.00 0.00 O ATOM 294 OE2 GLU A 170 -10.891 -8.302 -4.703 1.00 0.00 O ATOM 0 H GLU A 170 -10.166 -8.569 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.537 -9.208 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.244 -10.309 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.718 -10.802 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -8.623 -8.790 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.926 -10.503 -5.902 1.00 0.00 H new ATOM 301 N ALA A 171 -7.997 -6.754 -4.196 1.00 0.00 N ATOM 302 CA ALA A 171 -7.369 -5.597 -4.819 1.00 0.00 C ATOM 303 C ALA A 171 -6.721 -4.709 -3.756 1.00 0.00 C ATOM 304 O ALA A 171 -5.656 -4.106 -3.979 1.00 0.00 O ATOM 305 CB ALA A 171 -8.386 -4.823 -5.634 1.00 0.00 C ATOM 0 H ALA A 171 -9.011 -6.784 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.586 -5.940 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.903 -3.961 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.796 -5.468 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.191 -4.483 -4.983 1.00 0.00 H new ATOM 311 N ALA A 172 -7.359 -4.647 -2.603 1.00 0.00 N ATOM 312 CA ALA A 172 -6.834 -3.921 -1.466 1.00 0.00 C ATOM 313 C ALA A 172 -5.661 -4.694 -0.862 1.00 0.00 C ATOM 314 O ALA A 172 -4.624 -4.133 -0.554 1.00 0.00 O ATOM 315 CB ALA A 172 -7.931 -3.720 -0.432 1.00 0.00 C ATOM 0 H ALA A 172 -8.257 -5.099 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.480 -2.942 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.531 -3.173 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.749 -3.152 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.301 -4.690 -0.100 1.00 0.00 H new ATOM 321 N GLN A 173 -5.842 -5.988 -0.736 1.00 0.00 N ATOM 322 CA GLN A 173 -4.830 -6.880 -0.202 1.00 0.00 C ATOM 323 C GLN A 173 -3.553 -6.854 -1.034 1.00 0.00 C ATOM 324 O GLN A 173 -2.469 -6.567 -0.507 1.00 0.00 O ATOM 325 CB GLN A 173 -5.375 -8.300 -0.156 1.00 0.00 C ATOM 326 CG GLN A 173 -4.379 -9.336 0.301 1.00 0.00 C ATOM 327 CD GLN A 173 -4.970 -10.707 0.313 1.00 0.00 C ATOM 328 OE1 GLN A 173 -5.532 -11.135 1.313 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.860 -11.404 -0.780 1.00 0.00 N ATOM 0 H GLN A 173 -6.706 -6.460 -1.004 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.582 -6.537 0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.237 -8.324 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.733 -8.571 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.511 -9.320 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.025 -9.084 1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -4.384 -11.009 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.250 -12.345 -0.826 1.00 0.00 H new ATOM 338 N LEU A 174 -3.690 -7.122 -2.334 1.00 0.00 N ATOM 339 CA LEU A 174 -2.558 -7.245 -3.211 1.00 0.00 C ATOM 340 C LEU A 174 -1.729 -5.988 -3.284 1.00 0.00 C ATOM 341 O LEU A 174 -0.511 -6.074 -3.273 1.00 0.00 O ATOM 342 CB LEU A 174 -2.963 -7.786 -4.607 1.00 0.00 C ATOM 343 CG LEU A 174 -3.965 -6.973 -5.459 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.308 -5.828 -6.224 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.728 -7.887 -6.391 1.00 0.00 C ATOM 0 H LEU A 174 -4.591 -7.257 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.903 -7.994 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.051 -7.904 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.382 -8.782 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.667 -6.509 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.063 -5.296 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.840 -5.141 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.550 -6.228 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.429 -7.299 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.029 -8.396 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.277 -8.626 -5.807 1.00 0.00 H new ATOM 357 N ARG A 175 -2.381 -4.818 -3.293 1.00 0.00 N ATOM 358 CA ARG A 175 -1.653 -3.566 -3.409 1.00 0.00 C ATOM 359 C ARG A 175 -0.737 -3.362 -2.206 1.00 0.00 C ATOM 360 O ARG A 175 0.415 -3.000 -2.367 1.00 0.00 O ATOM 361 CB ARG A 175 -2.578 -2.351 -3.620 1.00 0.00 C ATOM 362 CG ARG A 175 -3.466 -2.037 -2.448 1.00 0.00 C ATOM 363 CD ARG A 175 -4.343 -0.836 -2.697 1.00 0.00 C ATOM 364 NE ARG A 175 -5.333 -1.085 -3.743 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.076 -0.135 -4.324 1.00 0.00 C ATOM 366 NH1 ARG A 175 -5.863 1.157 -4.048 1.00 0.00 N ATOM 367 NH2 ARG A 175 -7.014 -0.471 -5.185 1.00 0.00 N ATOM 0 H ARG A 175 -3.394 -4.721 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.039 -3.640 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -1.965 -1.477 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.202 -2.532 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.092 -2.902 -2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -2.850 -1.857 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.853 -0.563 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.722 0.013 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.467 -2.048 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -5.130 1.424 -3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -6.433 1.875 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.173 -1.453 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.581 0.251 -5.629 1.00 0.00 H new ATOM 381 N GLU A 176 -1.242 -3.674 -1.020 1.00 0.00 N ATOM 382 CA GLU A 176 -0.480 -3.527 0.198 1.00 0.00 C ATOM 383 C GLU A 176 0.728 -4.450 0.226 1.00 0.00 C ATOM 384 O GLU A 176 1.873 -3.985 0.378 1.00 0.00 O ATOM 385 CB GLU A 176 -1.357 -3.735 1.440 1.00 0.00 C ATOM 386 CG GLU A 176 -1.960 -2.457 2.030 1.00 0.00 C ATOM 387 CD GLU A 176 -2.844 -1.669 1.095 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.325 -0.862 0.303 1.00 0.00 O ATOM 389 OE2 GLU A 176 -4.080 -1.793 1.190 1.00 0.00 O ATOM 0 H GLU A 176 -2.187 -4.034 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.110 -2.502 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.168 -4.416 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.760 -4.226 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -2.540 -2.723 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.147 -1.812 2.364 1.00 0.00 H new ATOM 396 N GLU A 177 0.490 -5.731 0.023 1.00 0.00 N ATOM 397 CA GLU A 177 1.548 -6.725 0.094 1.00 0.00 C ATOM 398 C GLU A 177 2.642 -6.534 -0.967 1.00 0.00 C ATOM 399 O GLU A 177 3.840 -6.550 -0.630 1.00 0.00 O ATOM 400 CB GLU A 177 0.993 -8.164 0.109 1.00 0.00 C ATOM 401 CG GLU A 177 -0.012 -8.455 -0.980 1.00 0.00 C ATOM 402 CD GLU A 177 -0.510 -9.877 -0.974 1.00 0.00 C ATOM 403 OE1 GLU A 177 -0.741 -10.451 0.117 1.00 0.00 O ATOM 404 OE2 GLU A 177 -0.659 -10.463 -2.064 1.00 0.00 O ATOM 0 H GLU A 177 -0.431 -6.111 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 177 2.041 -6.561 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 177 1.825 -8.862 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.527 -8.351 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.861 -7.781 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.441 -8.241 -1.948 1.00 0.00 H new ATOM 411 N ARG A 178 2.265 -6.288 -2.227 1.00 0.00 N ATOM 412 CA ARG A 178 3.269 -6.150 -3.250 1.00 0.00 C ATOM 413 C ARG A 178 3.991 -4.815 -3.166 1.00 0.00 C ATOM 414 O ARG A 178 5.162 -4.727 -3.535 1.00 0.00 O ATOM 415 CB ARG A 178 2.696 -6.379 -4.634 1.00 0.00 C ATOM 416 CG ARG A 178 1.668 -5.371 -5.071 1.00 0.00 C ATOM 417 CD ARG A 178 1.048 -5.801 -6.356 1.00 0.00 C ATOM 418 NE ARG A 178 0.360 -7.100 -6.239 1.00 0.00 N ATOM 419 CZ ARG A 178 -0.315 -7.704 -7.223 1.00 0.00 C ATOM 420 NH1 ARG A 178 -0.425 -7.133 -8.413 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.878 -8.880 -7.006 1.00 0.00 N ATOM 0 H ARG A 178 1.300 -6.186 -2.542 1.00 0.00 H new ATOM 0 HA ARG A 178 4.010 -6.929 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.514 -6.377 -5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.246 -7.371 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.900 -5.266 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.134 -4.393 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.336 -5.044 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 178 1.819 -5.869 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 178 0.402 -7.575 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.007 -6.225 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -0.942 -7.601 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -0.797 -9.323 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -1.394 -9.344 -7.754 1.00 0.00 H new ATOM 435 N LEU A 179 3.316 -3.782 -2.670 1.00 0.00 N ATOM 436 CA LEU A 179 3.951 -2.480 -2.541 1.00 0.00 C ATOM 437 C LEU A 179 5.003 -2.540 -1.452 1.00 0.00 C ATOM 438 O LEU A 179 6.086 -1.973 -1.593 1.00 0.00 O ATOM 439 CB LEU A 179 2.928 -1.382 -2.231 1.00 0.00 C ATOM 440 CG LEU A 179 3.456 0.057 -2.179 1.00 0.00 C ATOM 441 CD1 LEU A 179 3.998 0.487 -3.533 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.368 1.009 -1.721 1.00 0.00 C ATOM 0 H LEU A 179 2.346 -3.821 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 179 4.420 -2.230 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.141 -1.428 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.465 -1.609 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 179 4.273 0.089 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.366 1.511 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.814 -0.174 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.203 0.433 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.762 2.025 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.530 0.966 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 179 2.028 0.722 -0.726 1.00 0.00 H new ATOM 454 N ARG A 180 4.698 -3.272 -0.385 1.00 0.00 N ATOM 455 CA ARG A 180 5.625 -3.410 0.710 1.00 0.00 C ATOM 456 C ARG A 180 6.895 -4.144 0.278 1.00 0.00 C ATOM 457 O ARG A 180 8.000 -3.662 0.522 1.00 0.00 O ATOM 458 CB ARG A 180 5.023 -4.131 1.921 1.00 0.00 C ATOM 459 CG ARG A 180 6.072 -4.300 2.998 1.00 0.00 C ATOM 460 CD ARG A 180 5.692 -5.236 4.104 1.00 0.00 C ATOM 461 NE ARG A 180 6.899 -5.550 4.860 1.00 0.00 N ATOM 462 CZ ARG A 180 7.257 -6.767 5.268 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.364 -7.746 5.346 1.00 0.00 N ATOM 464 NH2 ARG A 180 8.504 -6.997 5.637 1.00 0.00 N ATOM 0 H ARG A 180 3.818 -3.773 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 180 5.870 -2.391 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.179 -3.562 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.639 -5.106 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 180 6.992 -4.660 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 180 6.292 -3.323 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.945 -4.778 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 180 5.248 -6.145 3.699 1.00 0.00 H new ATOM 0 HE ARG A 180 7.519 -4.775 5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 180 5.392 -7.571 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.650 -8.673 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.191 -6.244 5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 180 8.780 -7.928 5.950 1.00 0.00 H new ATOM 478 N GLN A 181 6.739 -5.303 -0.372 1.00 0.00 N ATOM 479 CA GLN A 181 7.904 -6.109 -0.763 1.00 0.00 C ATOM 480 C GLN A 181 8.776 -5.338 -1.742 1.00 0.00 C ATOM 481 O GLN A 181 10.002 -5.407 -1.695 1.00 0.00 O ATOM 482 CB GLN A 181 7.479 -7.515 -1.306 1.00 0.00 C ATOM 483 CG GLN A 181 6.786 -7.567 -2.686 1.00 0.00 C ATOM 484 CD GLN A 181 7.756 -7.439 -3.862 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.913 -7.853 -3.778 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.308 -6.861 -4.943 1.00 0.00 N ATOM 0 H GLN A 181 5.837 -5.699 -0.635 1.00 0.00 H new ATOM 0 HA GLN A 181 8.506 -6.302 0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.370 -8.141 -1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.809 -7.969 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.242 -8.507 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.049 -6.766 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.344 -6.529 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.921 -6.742 -5.749 1.00 0.00 H new ATOM 495 N TYR A 182 8.121 -4.555 -2.572 1.00 0.00 N ATOM 496 CA TYR A 182 8.776 -3.752 -3.570 1.00 0.00 C ATOM 497 C TYR A 182 9.600 -2.679 -2.866 1.00 0.00 C ATOM 498 O TYR A 182 10.773 -2.505 -3.158 1.00 0.00 O ATOM 499 CB TYR A 182 7.711 -3.133 -4.479 1.00 0.00 C ATOM 500 CG TYR A 182 8.204 -2.581 -5.793 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.566 -3.436 -6.820 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.270 -1.217 -6.024 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.981 -2.950 -8.039 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.693 -0.721 -7.244 1.00 0.00 C ATOM 505 CZ TYR A 182 9.046 -1.598 -8.246 1.00 0.00 C ATOM 506 OH TYR A 182 9.453 -1.115 -9.469 1.00 0.00 O ATOM 0 H TYR A 182 7.105 -4.460 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 182 9.445 -4.354 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.954 -3.890 -4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.217 -2.330 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.522 -4.503 -6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.987 -0.530 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.255 -3.633 -8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.746 0.345 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 182 9.444 -0.135 -9.453 1.00 0.00 H new ATOM 516 N ALA A 183 8.980 -2.017 -1.888 1.00 0.00 N ATOM 517 CA ALA A 183 9.629 -0.975 -1.096 1.00 0.00 C ATOM 518 C ALA A 183 10.801 -1.522 -0.298 1.00 0.00 C ATOM 519 O ALA A 183 11.831 -0.856 -0.152 1.00 0.00 O ATOM 520 CB ALA A 183 8.623 -0.308 -0.166 1.00 0.00 C ATOM 0 H ALA A 183 8.010 -2.190 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 183 10.019 -0.231 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.123 0.466 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.824 0.142 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.201 -1.053 0.508 1.00 0.00 H new ATOM 526 N GLU A 184 10.649 -2.722 0.199 1.00 0.00 N ATOM 527 CA GLU A 184 11.671 -3.342 0.995 1.00 0.00 C ATOM 528 C GLU A 184 12.864 -3.748 0.149 1.00 0.00 C ATOM 529 O GLU A 184 14.018 -3.554 0.554 1.00 0.00 O ATOM 530 CB GLU A 184 11.099 -4.526 1.786 1.00 0.00 C ATOM 531 CG GLU A 184 12.091 -5.189 2.729 1.00 0.00 C ATOM 532 CD GLU A 184 11.416 -6.043 3.771 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.785 -5.462 4.705 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.522 -7.284 3.707 1.00 0.00 O ATOM 0 H GLU A 184 9.815 -3.294 0.063 1.00 0.00 H new ATOM 0 HA GLU A 184 12.032 -2.608 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.242 -4.181 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.730 -5.273 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.781 -5.804 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 184 12.686 -4.421 3.223 1.00 0.00 H new ATOM 541 N LYS A 185 12.609 -4.275 -1.021 1.00 0.00 N ATOM 542 CA LYS A 185 13.678 -4.719 -1.882 1.00 0.00 C ATOM 543 C LYS A 185 14.258 -3.572 -2.706 1.00 0.00 C ATOM 544 O LYS A 185 15.329 -3.055 -2.376 1.00 0.00 O ATOM 545 CB LYS A 185 13.235 -5.885 -2.767 1.00 0.00 C ATOM 546 CG LYS A 185 12.783 -7.101 -1.965 1.00 0.00 C ATOM 547 CD LYS A 185 12.380 -8.267 -2.853 1.00 0.00 C ATOM 548 CE LYS A 185 13.561 -8.805 -3.648 1.00 0.00 C ATOM 549 NZ LYS A 185 13.190 -9.963 -4.481 1.00 0.00 N ATOM 0 H LYS A 185 11.672 -4.408 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 185 14.479 -5.084 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.419 -5.556 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 185 14.059 -6.173 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.589 -7.415 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.940 -6.822 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.962 -9.064 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.595 -7.948 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 185 13.959 -8.014 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 185 14.358 -9.093 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 14.025 -10.296 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 12.835 -10.728 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.448 -9.683 -5.154 1.00 0.00 H new ATOM 563 N LYS A 186 13.546 -3.151 -3.733 1.00 0.00 N ATOM 564 CA LYS A 186 14.003 -2.097 -4.625 1.00 0.00 C ATOM 565 C LYS A 186 12.807 -1.298 -5.110 1.00 0.00 C ATOM 566 O LYS A 186 12.091 -1.742 -6.019 1.00 0.00 O ATOM 567 CB LYS A 186 14.679 -2.681 -5.869 1.00 0.00 C ATOM 568 CG LYS A 186 15.907 -3.536 -5.658 1.00 0.00 C ATOM 569 CD LYS A 186 16.323 -4.128 -6.988 1.00 0.00 C ATOM 570 CE LYS A 186 17.493 -5.067 -6.864 1.00 0.00 C ATOM 571 NZ LYS A 186 17.775 -5.739 -8.145 1.00 0.00 N ATOM 0 H LYS A 186 12.631 -3.530 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 186 14.709 -1.478 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 186 13.941 -3.278 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 186 14.954 -1.853 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 186 16.717 -2.937 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 186 15.696 -4.329 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.478 -4.662 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 186 16.580 -3.322 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 186 18.374 -4.514 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 186 17.284 -5.813 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 18.586 -6.380 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 16.941 -6.285 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 17.997 -5.026 -8.869 1.00 0.00 H new ATOM 585 N ALA A 187 12.539 -0.185 -4.494 1.00 0.00 N ATOM 586 CA ALA A 187 11.464 0.658 -4.963 1.00 0.00 C ATOM 587 C ALA A 187 11.988 2.016 -5.300 1.00 0.00 C ATOM 588 O ALA A 187 11.966 2.437 -6.452 1.00 0.00 O ATOM 589 CB ALA A 187 10.347 0.753 -3.949 1.00 0.00 C ATOM 0 H ALA A 187 13.039 0.163 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 187 11.048 0.205 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 187 9.557 1.395 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 187 9.945 -0.242 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 187 10.733 1.174 -3.021 1.00 0.00 H new ATOM 595 N LYS A 188 12.502 2.697 -4.313 1.00 0.00 N ATOM 596 CA LYS A 188 13.010 4.021 -4.523 1.00 0.00 C ATOM 597 C LYS A 188 14.488 4.043 -4.141 1.00 0.00 C ATOM 598 O LYS A 188 15.014 5.045 -3.662 1.00 0.00 O ATOM 599 CB LYS A 188 12.183 5.039 -3.706 1.00 0.00 C ATOM 600 CG LYS A 188 12.273 6.475 -4.228 1.00 0.00 C ATOM 601 CD LYS A 188 11.699 6.572 -5.644 1.00 0.00 C ATOM 602 CE LYS A 188 11.832 7.962 -6.236 1.00 0.00 C ATOM 603 NZ LYS A 188 11.044 8.973 -5.508 1.00 0.00 N ATOM 0 H LYS A 188 12.579 2.355 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 188 12.921 4.305 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 188 11.138 4.728 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 188 12.521 5.018 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 188 11.728 7.144 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 188 13.313 6.803 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 188 12.210 5.857 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 188 10.647 6.289 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 188 12.882 8.255 -6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 188 11.512 7.940 -7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 11.132 9.892 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 10.044 8.687 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 11.399 9.054 -4.534 1.00 0.00 H new ATOM 617 N LYS A 189 15.153 2.928 -4.394 1.00 0.00 N ATOM 618 CA LYS A 189 16.567 2.784 -4.087 1.00 0.00 C ATOM 619 C LYS A 189 17.404 2.905 -5.359 1.00 0.00 C ATOM 620 O LYS A 189 17.442 1.966 -6.176 1.00 0.00 O ATOM 621 CB LYS A 189 16.863 1.429 -3.438 1.00 0.00 C ATOM 622 CG LYS A 189 16.110 1.151 -2.160 1.00 0.00 C ATOM 623 CD LYS A 189 16.541 -0.175 -1.566 1.00 0.00 C ATOM 624 CE LYS A 189 15.761 -0.517 -0.310 1.00 0.00 C ATOM 625 NZ LYS A 189 16.252 -1.771 0.305 1.00 0.00 N ATOM 0 H LYS A 189 14.731 2.101 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 189 16.827 3.580 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 189 16.632 0.642 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 189 17.932 1.368 -3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 189 16.290 1.952 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 189 15.038 1.136 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 189 16.403 -0.965 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 189 17.605 -0.139 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 189 15.846 0.300 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 189 14.703 -0.619 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 15.463 -2.442 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 16.989 -2.188 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 16.649 -1.565 1.244 1.00 0.00 H new ATOM 639 N PRO A 190 18.048 4.053 -5.576 1.00 0.00 N ATOM 640 CA PRO A 190 18.913 4.248 -6.715 1.00 0.00 C ATOM 641 C PRO A 190 20.318 3.714 -6.428 1.00 0.00 C ATOM 642 O PRO A 190 20.847 3.861 -5.312 1.00 0.00 O ATOM 643 CB PRO A 190 18.927 5.769 -6.891 1.00 0.00 C ATOM 644 CG PRO A 190 18.678 6.330 -5.528 1.00 0.00 C ATOM 645 CD PRO A 190 17.973 5.262 -4.726 1.00 0.00 C ATOM 0 HA PRO A 190 18.574 3.721 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 190 19.884 6.110 -7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 190 18.158 6.090 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 190 19.617 6.612 -5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 190 18.068 7.231 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.459 5.102 -3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 190 16.939 5.538 -4.519 1.00 0.00 H new ATOM 653 N ALA A 191 20.913 3.095 -7.406 1.00 0.00 N ATOM 654 CA ALA A 191 22.223 2.532 -7.245 1.00 0.00 C ATOM 655 C ALA A 191 23.271 3.592 -7.498 1.00 0.00 C ATOM 656 O ALA A 191 23.683 3.824 -8.646 1.00 0.00 O ATOM 657 CB ALA A 191 22.416 1.346 -8.171 1.00 0.00 C ATOM 0 H ALA A 191 20.507 2.966 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 191 22.329 2.173 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 191 23.416 0.935 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 191 21.674 0.581 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 191 22.297 1.669 -9.205 1.00 0.00 H new ATOM 663 N LEU A 192 23.640 4.275 -6.457 1.00 0.00 N ATOM 664 CA LEU A 192 24.623 5.312 -6.537 1.00 0.00 C ATOM 665 C LEU A 192 25.919 4.793 -5.965 1.00 0.00 C ATOM 666 O LEU A 192 26.058 4.755 -4.739 1.00 0.00 O ATOM 667 CB LEU A 192 24.154 6.559 -5.773 1.00 0.00 C ATOM 668 CG LEU A 192 25.089 7.773 -5.818 1.00 0.00 C ATOM 669 CD1 LEU A 192 25.235 8.296 -7.237 1.00 0.00 C ATOM 670 CD2 LEU A 192 24.592 8.863 -4.893 1.00 0.00 C ATOM 671 OXT LEU A 192 26.806 4.381 -6.744 1.00 0.00 O ATOM 0 H LEU A 192 23.264 4.127 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 192 24.772 5.599 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 192 23.184 6.859 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 192 24.000 6.284 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 192 26.073 7.455 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 192 25.903 9.157 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 192 25.649 7.513 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 192 24.258 8.594 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 192 25.269 9.716 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 192 23.594 9.175 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 192 24.555 8.484 -3.872 1.00 0.00 H new TER 683 LEU A 192