USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 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 180:sc= 0 USER MOD Single : A 164 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN :FLIP amide:sc=-0.00546 F(o=-1.1,f=-0.0055) USER MOD Single : A 181 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 175:sc= 1.04 (180deg=0.979) USER MOD Single : A 186 LYS NZ :NH3+ 132:sc= 1.56 (180deg=1.04) USER MOD Single : A 188 LYS NZ :NH3+ -178:sc= 0.996 (180deg=0.896) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -5.948 7.559 -22.240 1.00 0.00 N ATOM 2 CA GLY A 149 -6.405 6.714 -21.141 1.00 0.00 C ATOM 3 C GLY A 149 -5.435 5.588 -20.923 1.00 0.00 C ATOM 4 O GLY A 149 -4.565 5.382 -21.763 1.00 0.00 O ATOM 0 HA2 GLY A 149 -6.499 7.306 -20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.394 6.315 -21.365 1.00 0.00 H new ATOM 10 N PRO A 150 -5.536 4.842 -19.801 1.00 0.00 N ATOM 11 CA PRO A 150 -4.659 3.691 -19.534 1.00 0.00 C ATOM 12 C PRO A 150 -4.746 2.656 -20.662 1.00 0.00 C ATOM 13 O PRO A 150 -3.729 2.216 -21.188 1.00 0.00 O ATOM 14 CB PRO A 150 -5.206 3.133 -18.214 1.00 0.00 C ATOM 15 CG PRO A 150 -5.845 4.311 -17.566 1.00 0.00 C ATOM 16 CD PRO A 150 -6.477 5.076 -18.686 1.00 0.00 C ATOM 0 HA PRO A 150 -3.604 3.959 -19.475 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -5.925 2.332 -18.386 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -4.410 2.719 -17.595 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -6.588 4.002 -16.831 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -5.109 4.919 -17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -7.477 4.709 -18.915 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -6.573 6.136 -18.451 1.00 0.00 H new ATOM 24 N GLY A 151 -5.963 2.304 -21.049 1.00 0.00 N ATOM 25 CA GLY A 151 -6.141 1.400 -22.164 1.00 0.00 C ATOM 26 C GLY A 151 -5.987 -0.028 -21.747 1.00 0.00 C ATOM 27 O GLY A 151 -4.905 -0.600 -21.869 1.00 0.00 O ATOM 0 H GLY A 151 -6.826 2.627 -20.613 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -7.130 1.548 -22.598 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.413 1.633 -22.941 1.00 0.00 H new ATOM 31 N SER A 152 -7.048 -0.568 -21.165 1.00 0.00 N ATOM 32 CA SER A 152 -7.130 -1.952 -20.692 1.00 0.00 C ATOM 33 C SER A 152 -6.377 -2.152 -19.378 1.00 0.00 C ATOM 34 O SER A 152 -6.665 -3.076 -18.624 1.00 0.00 O ATOM 35 CB SER A 152 -6.725 -2.964 -21.775 1.00 0.00 C ATOM 36 OG SER A 152 -7.543 -2.796 -22.941 1.00 0.00 O ATOM 0 H SER A 152 -7.906 -0.042 -21.001 1.00 0.00 H new ATOM 0 HA SER A 152 -8.179 -2.153 -20.476 1.00 0.00 H new ATOM 0 HB2 SER A 152 -5.675 -2.828 -22.036 1.00 0.00 H new ATOM 0 HB3 SER A 152 -6.829 -3.979 -21.392 1.00 0.00 H new ATOM 0 HG SER A 152 -7.275 -3.445 -23.625 1.00 0.00 H new ATOM 42 N GLU A 153 -5.441 -1.250 -19.080 1.00 0.00 N ATOM 43 CA GLU A 153 -4.744 -1.260 -17.807 1.00 0.00 C ATOM 44 C GLU A 153 -5.745 -0.882 -16.734 1.00 0.00 C ATOM 45 O GLU A 153 -5.707 -1.383 -15.617 1.00 0.00 O ATOM 46 CB GLU A 153 -3.626 -0.236 -17.787 1.00 0.00 C ATOM 47 CG GLU A 153 -2.679 -0.309 -18.952 1.00 0.00 C ATOM 48 CD GLU A 153 -1.583 0.707 -18.827 1.00 0.00 C ATOM 49 OE1 GLU A 153 -1.889 1.911 -18.750 1.00 0.00 O ATOM 50 OE2 GLU A 153 -0.395 0.321 -18.791 1.00 0.00 O ATOM 0 H GLU A 153 -5.152 -0.502 -19.711 1.00 0.00 H new ATOM 0 HA GLU A 153 -4.316 -2.249 -17.642 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -4.066 0.761 -17.758 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.056 -0.360 -16.866 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.247 -1.308 -19.010 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.227 -0.144 -19.880 1.00 0.00 H new ATOM 57 N ASP A 154 -6.699 -0.045 -17.144 1.00 0.00 N ATOM 58 CA ASP A 154 -7.759 0.488 -16.282 1.00 0.00 C ATOM 59 C ASP A 154 -8.759 -0.583 -15.851 1.00 0.00 C ATOM 60 O ASP A 154 -9.596 -0.344 -14.999 1.00 0.00 O ATOM 61 CB ASP A 154 -8.483 1.666 -16.965 1.00 0.00 C ATOM 62 CG ASP A 154 -9.083 1.319 -18.313 1.00 0.00 C ATOM 63 OD1 ASP A 154 -8.347 1.344 -19.332 1.00 0.00 O ATOM 64 OD2 ASP A 154 -10.298 1.044 -18.396 1.00 0.00 O ATOM 0 H ASP A 154 -6.759 0.290 -18.106 1.00 0.00 H new ATOM 0 HA ASP A 154 -7.273 0.852 -15.377 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -9.275 2.024 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -7.779 2.488 -17.092 1.00 0.00 H new ATOM 69 N ASP A 155 -8.686 -1.742 -16.454 1.00 0.00 N ATOM 70 CA ASP A 155 -9.517 -2.875 -16.047 1.00 0.00 C ATOM 71 C ASP A 155 -8.646 -4.058 -15.691 1.00 0.00 C ATOM 72 O ASP A 155 -9.134 -5.145 -15.366 1.00 0.00 O ATOM 73 CB ASP A 155 -10.571 -3.258 -17.110 1.00 0.00 C ATOM 74 CG ASP A 155 -10.004 -3.538 -18.486 1.00 0.00 C ATOM 75 OD1 ASP A 155 -9.571 -4.673 -18.758 1.00 0.00 O ATOM 76 OD2 ASP A 155 -10.012 -2.613 -19.334 1.00 0.00 O ATOM 0 H ASP A 155 -8.059 -1.939 -17.235 1.00 0.00 H new ATOM 0 HA ASP A 155 -10.076 -2.566 -15.164 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -11.110 -4.141 -16.767 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -11.299 -2.451 -17.189 1.00 0.00 H new ATOM 81 N ASP A 156 -7.350 -3.836 -15.706 1.00 0.00 N ATOM 82 CA ASP A 156 -6.399 -4.885 -15.398 1.00 0.00 C ATOM 83 C ASP A 156 -5.851 -4.690 -14.021 1.00 0.00 C ATOM 84 O ASP A 156 -5.904 -5.588 -13.177 1.00 0.00 O ATOM 85 CB ASP A 156 -5.261 -4.926 -16.429 1.00 0.00 C ATOM 86 CG ASP A 156 -4.209 -5.976 -16.131 1.00 0.00 C ATOM 87 OD1 ASP A 156 -4.560 -7.134 -15.833 1.00 0.00 O ATOM 88 OD2 ASP A 156 -3.008 -5.673 -16.246 1.00 0.00 O ATOM 0 H ASP A 156 -6.928 -2.935 -15.929 1.00 0.00 H new ATOM 0 HA ASP A 156 -6.920 -5.841 -15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -5.683 -5.116 -17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -4.784 -3.947 -16.470 1.00 0.00 H new ATOM 93 N ILE A 157 -5.391 -3.503 -13.790 1.00 0.00 N ATOM 94 CA ILE A 157 -4.780 -3.125 -12.542 1.00 0.00 C ATOM 95 C ILE A 157 -5.783 -2.342 -11.717 1.00 0.00 C ATOM 96 O ILE A 157 -6.178 -1.227 -12.098 1.00 0.00 O ATOM 97 CB ILE A 157 -3.540 -2.211 -12.783 1.00 0.00 C ATOM 98 CG1 ILE A 157 -2.555 -2.846 -13.786 1.00 0.00 C ATOM 99 CG2 ILE A 157 -2.830 -1.888 -11.463 1.00 0.00 C ATOM 100 CD1 ILE A 157 -1.930 -4.152 -13.333 1.00 0.00 C ATOM 0 H ILE A 157 -5.427 -2.747 -14.474 1.00 0.00 H new ATOM 0 HA ILE A 157 -4.466 -4.033 -12.026 1.00 0.00 H new ATOM 0 HB ILE A 157 -3.903 -1.279 -13.216 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.078 -3.018 -14.726 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -1.758 -2.131 -13.991 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -1.969 -1.249 -11.660 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -3.520 -1.372 -10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -2.496 -2.813 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -1.254 -4.519 -14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -1.373 -3.988 -12.411 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.714 -4.889 -13.157 1.00 0.00 H new ATOM 112 N ASP A 158 -6.234 -2.906 -10.633 1.00 0.00 N ATOM 113 CA ASP A 158 -7.094 -2.165 -9.748 1.00 0.00 C ATOM 114 C ASP A 158 -6.191 -1.589 -8.678 1.00 0.00 C ATOM 115 O ASP A 158 -5.178 -2.191 -8.346 1.00 0.00 O ATOM 116 CB ASP A 158 -8.177 -3.049 -9.118 1.00 0.00 C ATOM 117 CG ASP A 158 -9.331 -2.241 -8.546 1.00 0.00 C ATOM 118 OD1 ASP A 158 -9.125 -1.410 -7.627 1.00 0.00 O ATOM 119 OD2 ASP A 158 -10.475 -2.418 -8.997 1.00 0.00 O ATOM 0 H ASP A 158 -6.026 -3.861 -10.341 1.00 0.00 H new ATOM 0 HA ASP A 158 -7.627 -1.389 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -8.559 -3.740 -9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -7.733 -3.653 -8.326 1.00 0.00 H new ATOM 124 N LEU A 159 -6.501 -0.443 -8.175 1.00 0.00 N ATOM 125 CA LEU A 159 -5.646 0.190 -7.203 1.00 0.00 C ATOM 126 C LEU A 159 -6.167 -0.043 -5.784 1.00 0.00 C ATOM 127 O LEU A 159 -5.437 0.134 -4.805 1.00 0.00 O ATOM 128 CB LEU A 159 -5.551 1.696 -7.506 1.00 0.00 C ATOM 129 CG LEU A 159 -4.586 2.519 -6.645 1.00 0.00 C ATOM 130 CD1 LEU A 159 -3.154 2.043 -6.828 1.00 0.00 C ATOM 131 CD2 LEU A 159 -4.702 3.995 -6.977 1.00 0.00 C ATOM 0 H LEU A 159 -7.341 0.084 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 159 -4.651 -0.251 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -5.259 1.814 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.547 2.126 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.860 2.377 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.489 2.643 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -3.078 0.996 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -2.866 2.149 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -4.010 4.563 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.459 4.152 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.721 4.332 -6.786 1.00 0.00 H new ATOM 143 N PHE A 160 -7.411 -0.465 -5.675 1.00 0.00 N ATOM 144 CA PHE A 160 -8.038 -0.589 -4.367 1.00 0.00 C ATOM 145 C PHE A 160 -8.627 -1.977 -4.157 1.00 0.00 C ATOM 146 O PHE A 160 -8.659 -2.491 -3.030 1.00 0.00 O ATOM 147 CB PHE A 160 -9.164 0.451 -4.234 1.00 0.00 C ATOM 148 CG PHE A 160 -8.746 1.855 -4.568 1.00 0.00 C ATOM 149 CD1 PHE A 160 -7.990 2.591 -3.684 1.00 0.00 C ATOM 150 CD2 PHE A 160 -9.111 2.430 -5.776 1.00 0.00 C ATOM 151 CE1 PHE A 160 -7.603 3.874 -3.992 1.00 0.00 C ATOM 152 CE2 PHE A 160 -8.729 3.714 -6.090 1.00 0.00 C ATOM 153 CZ PHE A 160 -7.972 4.439 -5.197 1.00 0.00 C ATOM 0 H PHE A 160 -8.004 -0.726 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 160 -7.269 -0.421 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -9.988 0.164 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -9.544 0.430 -3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -7.698 2.157 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -9.703 1.863 -6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -7.009 4.441 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -9.022 4.151 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 160 -7.668 5.447 -5.438 1.00 0.00 H new ATOM 163 N GLY A 161 -9.086 -2.570 -5.227 1.00 0.00 N ATOM 164 CA GLY A 161 -9.805 -3.808 -5.152 1.00 0.00 C ATOM 165 C GLY A 161 -11.276 -3.483 -5.148 1.00 0.00 C ATOM 166 O GLY A 161 -11.655 -2.369 -4.757 1.00 0.00 O ATOM 0 H GLY A 161 -8.971 -2.207 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.557 -4.447 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.532 -4.355 -4.250 1.00 0.00 H new ATOM 170 N SER A 162 -12.111 -4.369 -5.584 1.00 0.00 N ATOM 171 CA SER A 162 -13.524 -4.070 -5.612 1.00 0.00 C ATOM 172 C SER A 162 -14.195 -4.478 -4.294 1.00 0.00 C ATOM 173 O SER A 162 -15.343 -4.111 -4.021 1.00 0.00 O ATOM 174 CB SER A 162 -14.167 -4.731 -6.813 1.00 0.00 C ATOM 175 OG SER A 162 -13.504 -4.321 -8.010 1.00 0.00 O ATOM 0 H SER A 162 -11.855 -5.296 -5.923 1.00 0.00 H new ATOM 0 HA SER A 162 -13.661 -2.993 -5.713 1.00 0.00 H new ATOM 0 HB2 SER A 162 -14.116 -5.815 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 162 -15.223 -4.465 -6.863 1.00 0.00 H new ATOM 0 HG SER A 162 -13.925 -4.754 -8.782 1.00 0.00 H new ATOM 181 N ASP A 163 -13.470 -5.241 -3.499 1.00 0.00 N ATOM 182 CA ASP A 163 -13.903 -5.643 -2.165 1.00 0.00 C ATOM 183 C ASP A 163 -12.682 -5.716 -1.282 1.00 0.00 C ATOM 184 O ASP A 163 -12.502 -4.888 -0.394 1.00 0.00 O ATOM 185 CB ASP A 163 -14.563 -7.029 -2.178 1.00 0.00 C ATOM 186 CG ASP A 163 -14.981 -7.496 -0.801 1.00 0.00 C ATOM 187 OD1 ASP A 163 -14.158 -8.118 -0.110 1.00 0.00 O ATOM 188 OD2 ASP A 163 -16.129 -7.257 -0.392 1.00 0.00 O ATOM 0 H ASP A 163 -12.554 -5.606 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 163 -14.630 -4.917 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -15.437 -7.003 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -13.869 -7.752 -2.606 1.00 0.00 H new ATOM 193 N ASN A 164 -11.830 -6.694 -1.614 1.00 0.00 N ATOM 194 CA ASN A 164 -10.563 -7.073 -0.943 1.00 0.00 C ATOM 195 C ASN A 164 -10.441 -8.577 -1.023 1.00 0.00 C ATOM 196 O ASN A 164 -9.361 -9.124 -1.220 1.00 0.00 O ATOM 197 CB ASN A 164 -10.483 -6.683 0.543 1.00 0.00 C ATOM 198 CG ASN A 164 -9.129 -6.981 1.198 1.00 0.00 C ATOM 199 OD1 ASN A 164 -8.040 -6.793 0.471 1.00 0.00 O flip ATOM 200 ND2 ASN A 164 -9.071 -7.335 2.381 1.00 0.00 N flip ATOM 0 H ASN A 164 -12.015 -7.292 -2.420 1.00 0.00 H new ATOM 0 HA ASN A 164 -9.764 -6.535 -1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -10.694 -5.618 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -11.263 -7.214 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -9.929 -7.472 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -8.165 -7.490 2.823 1.00 0.00 H new ATOM 207 N GLU A 165 -11.578 -9.238 -0.893 1.00 0.00 N ATOM 208 CA GLU A 165 -11.628 -10.689 -0.874 1.00 0.00 C ATOM 209 C GLU A 165 -11.644 -11.243 -2.272 1.00 0.00 C ATOM 210 O GLU A 165 -11.339 -12.410 -2.497 1.00 0.00 O ATOM 211 CB GLU A 165 -12.820 -11.199 -0.070 1.00 0.00 C ATOM 212 CG GLU A 165 -12.738 -10.877 1.413 1.00 0.00 C ATOM 213 CD GLU A 165 -13.914 -11.408 2.190 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.903 -12.603 2.559 1.00 0.00 O ATOM 215 OE2 GLU A 165 -14.868 -10.649 2.449 1.00 0.00 O ATOM 0 H GLU A 165 -12.488 -8.787 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.724 -11.043 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -13.734 -10.766 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -12.896 -12.279 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -11.819 -11.297 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.680 -9.796 1.543 1.00 0.00 H new ATOM 222 N GLU A 166 -11.994 -10.410 -3.205 1.00 0.00 N ATOM 223 CA GLU A 166 -11.991 -10.784 -4.573 1.00 0.00 C ATOM 224 C GLU A 166 -10.607 -10.614 -5.165 1.00 0.00 C ATOM 225 O GLU A 166 -10.116 -11.459 -5.904 1.00 0.00 O ATOM 226 CB GLU A 166 -13.134 -10.098 -5.337 1.00 0.00 C ATOM 227 CG GLU A 166 -13.407 -8.627 -5.037 1.00 0.00 C ATOM 228 CD GLU A 166 -12.255 -7.693 -5.132 1.00 0.00 C ATOM 229 OE1 GLU A 166 -11.572 -7.524 -4.110 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.057 -7.064 -6.168 1.00 0.00 O ATOM 0 H GLU A 166 -12.290 -9.450 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.208 -11.848 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -12.927 -10.190 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.050 -10.656 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.181 -8.280 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.817 -8.557 -4.029 1.00 0.00 H new ATOM 237 N GLU A 167 -9.961 -9.551 -4.762 1.00 0.00 N ATOM 238 CA GLU A 167 -8.589 -9.291 -5.099 1.00 0.00 C ATOM 239 C GLU A 167 -7.658 -10.042 -4.116 1.00 0.00 C ATOM 240 O GLU A 167 -6.459 -9.747 -3.990 1.00 0.00 O ATOM 241 CB GLU A 167 -8.316 -7.811 -5.049 1.00 0.00 C ATOM 242 CG GLU A 167 -6.977 -7.445 -5.659 1.00 0.00 C ATOM 243 CD GLU A 167 -6.659 -5.988 -5.562 1.00 0.00 C ATOM 244 OE1 GLU A 167 -6.527 -5.483 -4.409 1.00 0.00 O ATOM 245 OE2 GLU A 167 -6.463 -5.339 -6.603 1.00 0.00 O ATOM 0 H GLU A 167 -10.384 -8.829 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 167 -8.396 -9.646 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.109 -7.281 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.343 -7.475 -4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -6.192 -8.015 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -6.971 -7.742 -6.708 1.00 0.00 H new ATOM 252 N ASP A 168 -8.206 -11.026 -3.437 1.00 0.00 N ATOM 253 CA ASP A 168 -7.421 -11.897 -2.545 1.00 0.00 C ATOM 254 C ASP A 168 -6.332 -12.576 -3.359 1.00 0.00 C ATOM 255 O ASP A 168 -5.241 -12.852 -2.864 1.00 0.00 O ATOM 256 CB ASP A 168 -8.303 -12.937 -1.863 1.00 0.00 C ATOM 257 CG ASP A 168 -7.536 -13.809 -0.901 1.00 0.00 C ATOM 258 OD1 ASP A 168 -7.277 -13.364 0.242 1.00 0.00 O ATOM 259 OD2 ASP A 168 -7.203 -14.964 -1.247 1.00 0.00 O ATOM 0 H ASP A 168 -9.199 -11.256 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.974 -11.288 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -9.106 -12.431 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.771 -13.564 -2.622 1.00 0.00 H new ATOM 264 N LYS A 169 -6.652 -12.795 -4.637 1.00 0.00 N ATOM 265 CA LYS A 169 -5.714 -13.243 -5.648 1.00 0.00 C ATOM 266 C LYS A 169 -4.432 -12.413 -5.584 1.00 0.00 C ATOM 267 O LYS A 169 -3.353 -12.940 -5.395 1.00 0.00 O ATOM 268 CB LYS A 169 -6.350 -13.094 -7.058 1.00 0.00 C ATOM 269 CG LYS A 169 -7.041 -11.732 -7.295 1.00 0.00 C ATOM 270 CD LYS A 169 -7.466 -11.507 -8.708 1.00 0.00 C ATOM 271 CE LYS A 169 -6.277 -11.407 -9.656 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.707 -11.230 -11.061 1.00 0.00 N ATOM 0 H LYS A 169 -7.596 -12.660 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.474 -14.290 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.575 -13.232 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.080 -13.890 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.915 -11.662 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.360 -10.934 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.114 -12.324 -9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.054 -10.591 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.646 -10.568 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.669 -12.308 -9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -5.870 -11.166 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.288 -12.042 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.266 -10.357 -11.146 1.00 0.00 H new ATOM 286 N GLU A 170 -4.579 -11.105 -5.654 1.00 0.00 N ATOM 287 CA GLU A 170 -3.461 -10.236 -5.686 1.00 0.00 C ATOM 288 C GLU A 170 -2.914 -9.921 -4.351 1.00 0.00 C ATOM 289 O GLU A 170 -1.772 -9.530 -4.252 1.00 0.00 O ATOM 290 CB GLU A 170 -3.666 -9.028 -6.549 1.00 0.00 C ATOM 291 CG GLU A 170 -3.233 -9.296 -7.961 1.00 0.00 C ATOM 292 CD GLU A 170 -3.630 -8.226 -8.909 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.784 -8.229 -9.372 1.00 0.00 O ATOM 294 OE2 GLU A 170 -2.794 -7.365 -9.237 1.00 0.00 O ATOM 0 H GLU A 170 -5.483 -10.633 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.677 -10.809 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -4.718 -8.741 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.101 -8.188 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.149 -9.410 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.661 -10.242 -8.292 1.00 0.00 H new ATOM 301 N ALA A 171 -3.711 -10.102 -3.317 1.00 0.00 N ATOM 302 CA ALA A 171 -3.210 -9.965 -1.970 1.00 0.00 C ATOM 303 C ALA A 171 -2.031 -10.920 -1.811 1.00 0.00 C ATOM 304 O ALA A 171 -0.979 -10.532 -1.354 1.00 0.00 O ATOM 305 CB ALA A 171 -4.302 -10.262 -0.950 1.00 0.00 C ATOM 0 H ALA A 171 -4.700 -10.342 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 171 -2.884 -8.940 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -3.899 -10.152 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.128 -9.565 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.661 -11.282 -1.088 1.00 0.00 H new ATOM 311 N ALA A 172 -2.210 -12.144 -2.305 1.00 0.00 N ATOM 312 CA ALA A 172 -1.173 -13.157 -2.311 1.00 0.00 C ATOM 313 C ALA A 172 -0.143 -12.895 -3.416 1.00 0.00 C ATOM 314 O ALA A 172 1.039 -12.810 -3.129 1.00 0.00 O ATOM 315 CB ALA A 172 -1.781 -14.540 -2.471 1.00 0.00 C ATOM 0 H ALA A 172 -3.090 -12.457 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.656 -13.110 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.988 -15.288 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.462 -14.736 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.330 -14.590 -3.412 1.00 0.00 H new ATOM 321 N GLN A 173 -0.608 -12.735 -4.676 1.00 0.00 N ATOM 322 CA GLN A 173 0.281 -12.527 -5.833 1.00 0.00 C ATOM 323 C GLN A 173 1.225 -11.360 -5.649 1.00 0.00 C ATOM 324 O GLN A 173 2.434 -11.521 -5.739 1.00 0.00 O ATOM 325 CB GLN A 173 -0.509 -12.308 -7.106 1.00 0.00 C ATOM 326 CG GLN A 173 -1.321 -13.499 -7.568 1.00 0.00 C ATOM 327 CD GLN A 173 -2.101 -13.216 -8.835 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.558 -12.392 -9.694 1.00 0.00 O flip ATOM 329 NE2 GLN A 173 -3.186 -13.761 -9.043 1.00 0.00 N flip ATOM 0 H GLN A 173 -1.600 -12.747 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 173 0.871 -13.440 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.182 -11.464 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.182 -12.028 -7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.655 -14.345 -7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -2.012 -13.791 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.578 -14.398 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -3.692 -13.575 -9.909 1.00 0.00 H new ATOM 338 N LEU A 174 0.676 -10.188 -5.396 1.00 0.00 N ATOM 339 CA LEU A 174 1.486 -8.991 -5.200 1.00 0.00 C ATOM 340 C LEU A 174 2.425 -9.185 -4.054 1.00 0.00 C ATOM 341 O LEU A 174 3.592 -8.879 -4.161 1.00 0.00 O ATOM 342 CB LEU A 174 0.614 -7.787 -4.945 1.00 0.00 C ATOM 343 CG LEU A 174 -0.353 -7.450 -6.061 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.250 -6.292 -5.656 1.00 0.00 C ATOM 345 CD2 LEU A 174 0.387 -7.127 -7.349 1.00 0.00 C ATOM 0 H LEU A 174 -0.329 -10.034 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 174 2.060 -8.818 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.046 -7.956 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 174 1.255 -6.924 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 174 -0.976 -8.326 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -1.938 -6.063 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -1.818 -6.565 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -0.638 -5.416 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.333 -6.889 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 174 1.043 -6.272 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.982 -7.988 -7.653 1.00 0.00 H new ATOM 357 N ARG A 175 1.901 -9.704 -2.971 1.00 0.00 N ATOM 358 CA ARG A 175 2.695 -10.028 -1.789 1.00 0.00 C ATOM 359 C ARG A 175 3.925 -10.875 -2.149 1.00 0.00 C ATOM 360 O ARG A 175 5.056 -10.413 -2.006 1.00 0.00 O ATOM 361 CB ARG A 175 1.821 -10.781 -0.804 1.00 0.00 C ATOM 362 CG ARG A 175 2.523 -11.396 0.378 1.00 0.00 C ATOM 363 CD ARG A 175 1.559 -12.285 1.116 1.00 0.00 C ATOM 364 NE ARG A 175 2.176 -12.938 2.258 1.00 0.00 N ATOM 365 CZ ARG A 175 1.567 -13.810 3.061 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.273 -14.101 2.894 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.251 -14.370 4.046 1.00 0.00 N ATOM 0 H ARG A 175 0.908 -9.918 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 175 3.054 -9.099 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.059 -10.097 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.302 -11.573 -1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.386 -11.972 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.897 -10.616 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.708 -11.693 1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.170 -13.041 0.434 1.00 0.00 H new ATOM 0 HE ARG A 175 3.150 -12.712 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.258 -13.654 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.183 -14.770 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.233 -14.133 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 175 1.796 -15.039 4.667 1.00 0.00 H new ATOM 381 N GLU A 176 3.685 -12.065 -2.692 1.00 0.00 N ATOM 382 CA GLU A 176 4.747 -13.024 -2.983 1.00 0.00 C ATOM 383 C GLU A 176 5.734 -12.511 -4.021 1.00 0.00 C ATOM 384 O GLU A 176 6.959 -12.618 -3.834 1.00 0.00 O ATOM 385 CB GLU A 176 4.175 -14.385 -3.415 1.00 0.00 C ATOM 386 CG GLU A 176 3.258 -14.328 -4.624 1.00 0.00 C ATOM 387 CD GLU A 176 2.919 -15.668 -5.189 1.00 0.00 C ATOM 388 OE1 GLU A 176 2.385 -16.531 -4.461 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.160 -15.881 -6.399 1.00 0.00 O ATOM 0 H GLU A 176 2.752 -12.391 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 176 5.297 -13.157 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.003 -15.060 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.626 -14.816 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.336 -13.818 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.732 -13.727 -5.400 1.00 0.00 H new ATOM 396 N GLU A 177 5.218 -11.939 -5.084 1.00 0.00 N ATOM 397 CA GLU A 177 6.046 -11.481 -6.168 1.00 0.00 C ATOM 398 C GLU A 177 6.847 -10.261 -5.778 1.00 0.00 C ATOM 399 O GLU A 177 8.050 -10.204 -6.025 1.00 0.00 O ATOM 400 CB GLU A 177 5.225 -11.243 -7.437 1.00 0.00 C ATOM 401 CG GLU A 177 4.503 -12.494 -7.907 1.00 0.00 C ATOM 402 CD GLU A 177 3.811 -12.335 -9.225 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.477 -12.501 -10.258 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.574 -12.100 -9.259 1.00 0.00 O ATOM 0 H GLU A 177 4.219 -11.780 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 177 6.761 -12.273 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.495 -10.455 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.883 -10.888 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.221 -13.310 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.769 -12.783 -7.155 1.00 0.00 H new ATOM 411 N ARG A 178 6.212 -9.315 -5.103 1.00 0.00 N ATOM 412 CA ARG A 178 6.907 -8.105 -4.710 1.00 0.00 C ATOM 413 C ARG A 178 7.927 -8.379 -3.622 1.00 0.00 C ATOM 414 O ARG A 178 8.959 -7.736 -3.589 1.00 0.00 O ATOM 415 CB ARG A 178 5.967 -6.981 -4.281 1.00 0.00 C ATOM 416 CG ARG A 178 5.070 -6.422 -5.376 1.00 0.00 C ATOM 417 CD ARG A 178 4.152 -5.369 -4.788 1.00 0.00 C ATOM 418 NE ARG A 178 3.214 -4.804 -5.758 1.00 0.00 N ATOM 419 CZ ARG A 178 2.059 -4.199 -5.434 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.656 -4.151 -4.154 1.00 0.00 N ATOM 421 NH2 ARG A 178 1.302 -3.669 -6.391 1.00 0.00 N ATOM 0 H ARG A 178 5.233 -9.362 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 178 7.427 -7.762 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.336 -7.348 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.566 -6.166 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.676 -5.988 -6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.482 -7.223 -5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.589 -5.808 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 178 4.757 -4.565 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 178 3.453 -4.874 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.227 -4.575 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.778 -3.691 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 178 1.599 -3.723 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 178 0.424 -3.209 -6.151 1.00 0.00 H new ATOM 435 N LEU A 179 7.657 -9.340 -2.729 1.00 0.00 N ATOM 436 CA LEU A 179 8.646 -9.654 -1.707 1.00 0.00 C ATOM 437 C LEU A 179 9.813 -10.427 -2.308 1.00 0.00 C ATOM 438 O LEU A 179 10.955 -10.283 -1.868 1.00 0.00 O ATOM 439 CB LEU A 179 8.042 -10.325 -0.426 1.00 0.00 C ATOM 440 CG LEU A 179 7.345 -11.701 -0.529 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.336 -12.846 -0.689 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.465 -11.930 0.683 1.00 0.00 C ATOM 0 H LEU A 179 6.798 -9.889 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 179 9.039 -8.706 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.850 -10.424 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.319 -9.626 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 179 6.730 -11.686 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.794 -13.789 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.920 -12.697 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.004 -12.872 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.978 -12.902 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.075 -11.905 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.707 -11.148 0.735 1.00 0.00 H new ATOM 454 N ARG A 180 9.529 -11.214 -3.346 1.00 0.00 N ATOM 455 CA ARG A 180 10.574 -11.935 -4.049 1.00 0.00 C ATOM 456 C ARG A 180 11.462 -10.944 -4.761 1.00 0.00 C ATOM 457 O ARG A 180 12.677 -10.971 -4.611 1.00 0.00 O ATOM 458 CB ARG A 180 10.004 -12.929 -5.062 1.00 0.00 C ATOM 459 CG ARG A 180 11.087 -13.715 -5.777 1.00 0.00 C ATOM 460 CD ARG A 180 10.533 -14.715 -6.764 1.00 0.00 C ATOM 461 NE ARG A 180 11.621 -15.418 -7.443 1.00 0.00 N ATOM 462 CZ ARG A 180 11.608 -16.699 -7.821 1.00 0.00 C ATOM 463 NH1 ARG A 180 10.549 -17.480 -7.562 1.00 0.00 N ATOM 464 NH2 ARG A 180 12.667 -17.206 -8.432 1.00 0.00 N ATOM 0 H ARG A 180 8.589 -11.364 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 180 11.144 -12.504 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.335 -13.621 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 180 9.405 -12.391 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 180 11.746 -13.022 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 180 11.696 -14.239 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 180 9.896 -15.432 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.908 -14.204 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 180 12.465 -14.882 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 180 9.741 -17.097 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 180 10.552 -18.457 -7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 180 13.482 -16.620 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 180 12.668 -18.183 -8.725 1.00 0.00 H new ATOM 478 N GLN A 181 10.840 -10.040 -5.498 1.00 0.00 N ATOM 479 CA GLN A 181 11.561 -9.019 -6.227 1.00 0.00 C ATOM 480 C GLN A 181 12.308 -8.105 -5.278 1.00 0.00 C ATOM 481 O GLN A 181 13.413 -7.678 -5.571 1.00 0.00 O ATOM 482 CB GLN A 181 10.629 -8.228 -7.129 1.00 0.00 C ATOM 483 CG GLN A 181 10.005 -9.060 -8.231 1.00 0.00 C ATOM 484 CD GLN A 181 9.065 -8.269 -9.111 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.424 -7.317 -8.672 1.00 0.00 O ATOM 486 NE2 GLN A 181 8.985 -8.649 -10.353 1.00 0.00 N ATOM 0 H GLN A 181 9.827 -9.995 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 181 12.294 -9.515 -6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.837 -7.788 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.183 -7.403 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 181 10.796 -9.488 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.461 -9.893 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 181 9.534 -9.445 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.374 -8.151 -11.000 1.00 0.00 H new ATOM 495 N TYR A 182 11.715 -7.846 -4.130 1.00 0.00 N ATOM 496 CA TYR A 182 12.336 -7.032 -3.105 1.00 0.00 C ATOM 497 C TYR A 182 13.622 -7.685 -2.627 1.00 0.00 C ATOM 498 O TYR A 182 14.630 -7.023 -2.444 1.00 0.00 O ATOM 499 CB TYR A 182 11.378 -6.818 -1.926 1.00 0.00 C ATOM 500 CG TYR A 182 11.938 -5.947 -0.833 1.00 0.00 C ATOM 501 CD1 TYR A 182 11.974 -4.573 -0.978 1.00 0.00 C ATOM 502 CD2 TYR A 182 12.446 -6.501 0.336 1.00 0.00 C ATOM 503 CE1 TYR A 182 12.494 -3.772 0.004 1.00 0.00 C ATOM 504 CE2 TYR A 182 12.971 -5.704 1.326 1.00 0.00 C ATOM 505 CZ TYR A 182 12.992 -4.340 1.153 1.00 0.00 C ATOM 506 OH TYR A 182 13.516 -3.540 2.130 1.00 0.00 O ATOM 0 H TYR A 182 10.789 -8.194 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 182 12.572 -6.058 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.456 -6.370 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.114 -7.788 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 182 11.586 -4.124 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.428 -7.573 0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 182 12.513 -2.700 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 182 13.363 -6.145 2.231 1.00 0.00 H new ATOM 0 HH TYR A 182 13.824 -4.095 2.877 1.00 0.00 H new ATOM 516 N ALA A 183 13.579 -8.985 -2.448 1.00 0.00 N ATOM 517 CA ALA A 183 14.738 -9.727 -2.019 1.00 0.00 C ATOM 518 C ALA A 183 15.798 -9.734 -3.118 1.00 0.00 C ATOM 519 O ALA A 183 16.915 -9.228 -2.924 1.00 0.00 O ATOM 520 CB ALA A 183 14.342 -11.145 -1.649 1.00 0.00 C ATOM 0 H ALA A 183 12.745 -9.553 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 183 15.160 -9.244 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.225 -11.697 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.614 -11.120 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.903 -11.638 -2.516 1.00 0.00 H new ATOM 526 N GLU A 184 15.405 -10.235 -4.284 1.00 0.00 N ATOM 527 CA GLU A 184 16.292 -10.394 -5.431 1.00 0.00 C ATOM 528 C GLU A 184 16.902 -9.076 -5.892 1.00 0.00 C ATOM 529 O GLU A 184 18.112 -8.936 -5.936 1.00 0.00 O ATOM 530 CB GLU A 184 15.542 -10.997 -6.594 1.00 0.00 C ATOM 531 CG GLU A 184 14.959 -12.356 -6.336 1.00 0.00 C ATOM 532 CD GLU A 184 14.117 -12.824 -7.492 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.600 -11.971 -8.247 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.983 -14.056 -7.698 1.00 0.00 O ATOM 0 H GLU A 184 14.450 -10.546 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 184 17.098 -11.051 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.736 -10.320 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.217 -11.064 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.763 -13.070 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.352 -12.327 -5.431 1.00 0.00 H new ATOM 541 N LYS A 185 16.051 -8.104 -6.211 1.00 0.00 N ATOM 542 CA LYS A 185 16.502 -6.832 -6.764 1.00 0.00 C ATOM 543 C LYS A 185 17.355 -6.058 -5.788 1.00 0.00 C ATOM 544 O LYS A 185 18.316 -5.433 -6.181 1.00 0.00 O ATOM 545 CB LYS A 185 15.338 -5.957 -7.268 1.00 0.00 C ATOM 546 CG LYS A 185 14.778 -6.240 -8.693 1.00 0.00 C ATOM 547 CD LYS A 185 14.164 -7.638 -8.921 1.00 0.00 C ATOM 548 CE LYS A 185 15.211 -8.671 -9.316 1.00 0.00 C ATOM 549 NZ LYS A 185 14.614 -9.977 -9.686 1.00 0.00 N ATOM 0 H LYS A 185 15.040 -8.175 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 185 17.118 -7.089 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.515 -6.055 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.663 -4.917 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 185 14.018 -5.492 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 185 15.585 -6.099 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 185 13.660 -7.964 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 185 13.405 -7.576 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 185 15.792 -8.291 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 185 15.905 -8.815 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 15.361 -10.616 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.153 -10.396 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.909 -9.836 -10.438 1.00 0.00 H new ATOM 563 N LYS A 186 17.052 -6.151 -4.515 1.00 0.00 N ATOM 564 CA LYS A 186 17.821 -5.419 -3.516 1.00 0.00 C ATOM 565 C LYS A 186 19.107 -6.150 -3.160 1.00 0.00 C ATOM 566 O LYS A 186 19.939 -5.643 -2.415 1.00 0.00 O ATOM 567 CB LYS A 186 16.992 -5.089 -2.268 1.00 0.00 C ATOM 568 CG LYS A 186 16.017 -3.895 -2.418 1.00 0.00 C ATOM 569 CD LYS A 186 15.037 -4.056 -3.579 1.00 0.00 C ATOM 570 CE LYS A 186 14.032 -2.911 -3.661 1.00 0.00 C ATOM 571 NZ LYS A 186 14.683 -1.590 -3.782 1.00 0.00 N ATOM 0 H LYS A 186 16.290 -6.717 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 186 18.098 -4.466 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 186 16.418 -5.973 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 186 17.674 -4.879 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.455 -3.775 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 186 16.593 -2.981 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.594 -4.114 -4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 186 14.500 -4.998 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 186 13.377 -3.069 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 186 13.402 -2.921 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.237 -1.052 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 14.578 -1.068 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 15.694 -1.719 -3.990 1.00 0.00 H new ATOM 585 N ALA A 187 19.254 -7.346 -3.691 1.00 0.00 N ATOM 586 CA ALA A 187 20.474 -8.107 -3.541 1.00 0.00 C ATOM 587 C ALA A 187 21.220 -8.126 -4.874 1.00 0.00 C ATOM 588 O ALA A 187 22.210 -8.823 -5.042 1.00 0.00 O ATOM 589 CB ALA A 187 20.171 -9.531 -3.095 1.00 0.00 C ATOM 0 H ALA A 187 18.532 -7.816 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 187 21.094 -7.636 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 187 21.104 -10.085 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 187 19.650 -9.509 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 187 19.542 -10.019 -3.839 1.00 0.00 H new ATOM 595 N LYS A 188 20.710 -7.377 -5.825 1.00 0.00 N ATOM 596 CA LYS A 188 21.296 -7.276 -7.154 1.00 0.00 C ATOM 597 C LYS A 188 21.658 -5.853 -7.467 1.00 0.00 C ATOM 598 O LYS A 188 22.724 -5.572 -7.998 1.00 0.00 O ATOM 599 CB LYS A 188 20.345 -7.845 -8.214 1.00 0.00 C ATOM 600 CG LYS A 188 20.352 -9.365 -8.291 1.00 0.00 C ATOM 601 CD LYS A 188 21.583 -9.871 -9.040 1.00 0.00 C ATOM 602 CE LYS A 188 22.389 -10.887 -8.242 1.00 0.00 C ATOM 603 NZ LYS A 188 23.129 -10.270 -7.117 1.00 0.00 N ATOM 0 H LYS A 188 19.869 -6.813 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 188 22.210 -7.870 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.332 -7.506 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.617 -7.440 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 188 20.337 -9.783 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.449 -9.711 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.269 -10.323 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 188 22.222 -9.025 -9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 188 21.718 -11.653 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 188 23.095 -11.387 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 23.687 -10.998 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 23.766 -9.533 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 22.454 -9.844 -6.450 1.00 0.00 H new ATOM 617 N LYS A 189 20.777 -4.967 -7.144 1.00 0.00 N ATOM 618 CA LYS A 189 20.996 -3.577 -7.334 1.00 0.00 C ATOM 619 C LYS A 189 21.427 -3.003 -6.001 1.00 0.00 C ATOM 620 O LYS A 189 20.880 -3.387 -4.966 1.00 0.00 O ATOM 621 CB LYS A 189 19.697 -2.889 -7.779 1.00 0.00 C ATOM 622 CG LYS A 189 19.043 -3.504 -9.004 1.00 0.00 C ATOM 623 CD LYS A 189 19.906 -3.390 -10.248 1.00 0.00 C ATOM 624 CE LYS A 189 19.192 -3.990 -11.450 1.00 0.00 C ATOM 625 NZ LYS A 189 19.955 -3.822 -12.702 1.00 0.00 N ATOM 0 H LYS A 189 19.871 -5.194 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 189 21.753 -3.416 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 189 18.986 -2.914 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 189 19.909 -1.840 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 189 18.831 -4.555 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 189 18.086 -3.014 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 189 20.139 -2.343 -10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 189 20.854 -3.903 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 189 19.019 -5.052 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 189 18.214 -3.522 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 19.426 -4.247 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 20.098 -2.809 -12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 20.879 -4.291 -12.611 1.00 0.00 H new ATOM 639 N PRO A 190 22.396 -2.097 -5.986 1.00 0.00 N ATOM 640 CA PRO A 190 22.868 -1.426 -4.752 1.00 0.00 C ATOM 641 C PRO A 190 21.843 -0.406 -4.197 1.00 0.00 C ATOM 642 O PRO A 190 22.222 0.590 -3.583 1.00 0.00 O ATOM 643 CB PRO A 190 24.131 -0.674 -5.214 1.00 0.00 C ATOM 644 CG PRO A 190 24.453 -1.208 -6.563 1.00 0.00 C ATOM 645 CD PRO A 190 23.167 -1.677 -7.154 1.00 0.00 C ATOM 0 HA PRO A 190 23.034 -2.145 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 190 23.954 0.401 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 190 24.957 -0.837 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 190 24.908 -0.438 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 190 25.169 -2.027 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 190 22.663 -0.882 -7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 190 23.321 -2.500 -7.852 1.00 0.00 H new ATOM 653 N ALA A 191 20.569 -0.685 -4.373 1.00 0.00 N ATOM 654 CA ALA A 191 19.525 0.204 -3.949 1.00 0.00 C ATOM 655 C ALA A 191 18.486 -0.535 -3.118 1.00 0.00 C ATOM 656 O ALA A 191 17.630 -1.255 -3.655 1.00 0.00 O ATOM 657 CB ALA A 191 18.884 0.887 -5.150 1.00 0.00 C ATOM 0 H ALA A 191 20.234 -1.540 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 191 19.967 0.975 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 191 18.095 1.557 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 191 19.639 1.460 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 191 18.459 0.133 -5.813 1.00 0.00 H new ATOM 663 N LEU A 192 18.605 -0.403 -1.815 1.00 0.00 N ATOM 664 CA LEU A 192 17.675 -1.004 -0.877 1.00 0.00 C ATOM 665 C LEU A 192 16.387 -0.213 -0.874 1.00 0.00 C ATOM 666 O LEU A 192 15.370 -0.693 -1.404 1.00 0.00 O ATOM 667 CB LEU A 192 18.268 -1.058 0.542 1.00 0.00 C ATOM 668 CG LEU A 192 19.539 -1.896 0.727 1.00 0.00 C ATOM 669 CD1 LEU A 192 19.993 -1.856 2.174 1.00 0.00 C ATOM 670 CD2 LEU A 192 19.315 -3.335 0.282 1.00 0.00 C ATOM 671 OXT LEU A 192 16.407 0.946 -0.427 1.00 0.00 O ATOM 0 H LEU A 192 19.354 0.128 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 192 17.477 -2.029 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 192 18.484 -0.038 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 192 17.504 -1.446 1.215 1.00 0.00 H new ATOM 0 HG LEU A 192 20.321 -1.466 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 192 20.896 -2.456 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 192 20.203 -0.826 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 192 19.207 -2.258 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 192 20.232 -3.907 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 192 18.515 -3.779 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 192 19.037 -3.351 -0.772 1.00 0.00 H new TER 683 LEU A 192