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 110:sc= -1.13! USER MOD Single : A 164 ASN : amide:sc= 1.48 K(o=1.5,f=-7.8!) USER MOD Single : A 169 LYS NZ :NH3+ -109:sc= -1.5 (180deg=-2.89!) USER MOD Single : A 173 GLN : amide:sc= -0.968 K(o=-0.97,f=-2.3) USER MOD Single : A 181 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1.1) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 140:sc= -0.729 (180deg=-2.66!) USER MOD Single : A 186 LYS NZ :NH3+ 167:sc= -0.0334 (180deg=-0.203) USER MOD Single : A 188 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.2) USER MOD Single : A 189 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0836) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -8.542 10.663 -2.779 1.00 0.00 N ATOM 2 CA GLY A 149 -7.645 11.250 -3.764 1.00 0.00 C ATOM 3 C GLY A 149 -7.711 12.761 -3.737 1.00 0.00 C ATOM 4 O GLY A 149 -8.067 13.343 -2.706 1.00 0.00 O ATOM 0 HA2 GLY A 149 -6.623 10.925 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.908 10.890 -4.759 1.00 0.00 H new ATOM 10 N PRO A 150 -7.406 13.436 -4.867 1.00 0.00 N ATOM 11 CA PRO A 150 -7.402 14.906 -4.948 1.00 0.00 C ATOM 12 C PRO A 150 -8.809 15.524 -4.963 1.00 0.00 C ATOM 13 O PRO A 150 -8.959 16.748 -4.909 1.00 0.00 O ATOM 14 CB PRO A 150 -6.693 15.184 -6.275 1.00 0.00 C ATOM 15 CG PRO A 150 -6.986 13.986 -7.107 1.00 0.00 C ATOM 16 CD PRO A 150 -7.014 12.820 -6.161 1.00 0.00 C ATOM 0 HA PRO A 150 -6.919 15.346 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -7.068 16.094 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -5.621 15.317 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -7.941 14.093 -7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -6.224 13.848 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -7.730 12.062 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -6.041 12.332 -6.096 1.00 0.00 H new ATOM 24 N GLY A 151 -9.815 14.692 -5.058 1.00 0.00 N ATOM 25 CA GLY A 151 -11.165 15.167 -5.048 1.00 0.00 C ATOM 26 C GLY A 151 -11.790 15.026 -6.402 1.00 0.00 C ATOM 27 O GLY A 151 -11.433 15.744 -7.335 1.00 0.00 O ATOM 0 H GLY A 151 -9.719 13.680 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -11.746 14.608 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -11.185 16.213 -4.741 1.00 0.00 H new ATOM 31 N SER A 152 -12.678 14.087 -6.519 1.00 0.00 N ATOM 32 CA SER A 152 -13.364 13.804 -7.743 1.00 0.00 C ATOM 33 C SER A 152 -14.775 13.382 -7.363 1.00 0.00 C ATOM 34 O SER A 152 -15.041 13.171 -6.168 1.00 0.00 O ATOM 35 CB SER A 152 -12.621 12.671 -8.502 1.00 0.00 C ATOM 36 OG SER A 152 -13.211 12.396 -9.769 1.00 0.00 O ATOM 0 H SER A 152 -12.953 13.481 -5.746 1.00 0.00 H new ATOM 0 HA SER A 152 -13.396 14.671 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 152 -11.578 12.954 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 152 -12.627 11.765 -7.896 1.00 0.00 H new ATOM 0 HG SER A 152 -12.712 11.679 -10.213 1.00 0.00 H new ATOM 42 N GLU A 153 -15.672 13.249 -8.334 1.00 0.00 N ATOM 43 CA GLU A 153 -17.042 12.845 -8.052 1.00 0.00 C ATOM 44 C GLU A 153 -17.088 11.477 -7.417 1.00 0.00 C ATOM 45 O GLU A 153 -17.808 11.280 -6.477 1.00 0.00 O ATOM 46 CB GLU A 153 -17.929 12.884 -9.287 1.00 0.00 C ATOM 47 CG GLU A 153 -18.120 14.266 -9.864 1.00 0.00 C ATOM 48 CD GLU A 153 -19.169 14.279 -10.933 1.00 0.00 C ATOM 49 OE1 GLU A 153 -20.356 14.439 -10.601 1.00 0.00 O ATOM 50 OE2 GLU A 153 -18.834 14.108 -12.118 1.00 0.00 O ATOM 0 H GLU A 153 -15.474 13.415 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 153 -17.438 13.574 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -17.497 12.239 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -18.905 12.469 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -18.402 14.957 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -17.176 14.622 -10.276 1.00 0.00 H new ATOM 57 N ASP A 154 -16.257 10.562 -7.911 1.00 0.00 N ATOM 58 CA ASP A 154 -16.161 9.176 -7.375 1.00 0.00 C ATOM 59 C ASP A 154 -15.766 9.180 -5.914 1.00 0.00 C ATOM 60 O ASP A 154 -16.145 8.291 -5.143 1.00 0.00 O ATOM 61 CB ASP A 154 -15.093 8.377 -8.126 1.00 0.00 C ATOM 62 CG ASP A 154 -15.438 8.078 -9.547 1.00 0.00 C ATOM 63 OD1 ASP A 154 -15.444 9.013 -10.384 1.00 0.00 O ATOM 64 OD2 ASP A 154 -15.659 6.890 -9.877 1.00 0.00 O ATOM 0 H ASP A 154 -15.626 10.744 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 154 -17.145 8.724 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.155 8.932 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -14.921 7.438 -7.600 1.00 0.00 H new ATOM 69 N ASP A 155 -15.004 10.180 -5.557 1.00 0.00 N ATOM 70 CA ASP A 155 -14.436 10.328 -4.234 1.00 0.00 C ATOM 71 C ASP A 155 -15.464 10.951 -3.304 1.00 0.00 C ATOM 72 O ASP A 155 -15.759 10.416 -2.245 1.00 0.00 O ATOM 73 CB ASP A 155 -13.214 11.257 -4.336 1.00 0.00 C ATOM 74 CG ASP A 155 -12.313 11.306 -3.109 1.00 0.00 C ATOM 75 OD1 ASP A 155 -12.803 11.466 -1.975 1.00 0.00 O ATOM 76 OD2 ASP A 155 -11.079 11.242 -3.287 1.00 0.00 O ATOM 0 H ASP A 155 -14.752 10.937 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 155 -14.143 9.355 -3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -12.615 10.945 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -13.566 12.267 -4.545 1.00 0.00 H new ATOM 81 N ASP A 156 -16.023 12.070 -3.732 1.00 0.00 N ATOM 82 CA ASP A 156 -16.954 12.847 -2.907 1.00 0.00 C ATOM 83 C ASP A 156 -18.333 12.213 -2.865 1.00 0.00 C ATOM 84 O ASP A 156 -18.883 11.951 -1.794 1.00 0.00 O ATOM 85 CB ASP A 156 -17.065 14.277 -3.440 1.00 0.00 C ATOM 86 CG ASP A 156 -17.860 15.192 -2.523 1.00 0.00 C ATOM 87 OD1 ASP A 156 -19.088 15.281 -2.655 1.00 0.00 O ATOM 88 OD2 ASP A 156 -17.236 15.865 -1.658 1.00 0.00 O ATOM 0 H ASP A 156 -15.851 12.470 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 156 -16.556 12.862 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -16.064 14.687 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -17.537 14.257 -4.422 1.00 0.00 H new ATOM 93 N ILE A 157 -18.877 11.953 -4.018 1.00 0.00 N ATOM 94 CA ILE A 157 -20.200 11.412 -4.117 1.00 0.00 C ATOM 95 C ILE A 157 -20.096 9.945 -4.453 1.00 0.00 C ATOM 96 O ILE A 157 -19.868 9.569 -5.612 1.00 0.00 O ATOM 97 CB ILE A 157 -21.044 12.125 -5.212 1.00 0.00 C ATOM 98 CG1 ILE A 157 -21.065 13.645 -4.980 1.00 0.00 C ATOM 99 CG2 ILE A 157 -22.471 11.574 -5.217 1.00 0.00 C ATOM 100 CD1 ILE A 157 -21.787 14.422 -6.063 1.00 0.00 C ATOM 0 H ILE A 157 -18.417 12.110 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 157 -20.701 11.564 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 157 -20.584 11.932 -6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -21.541 13.850 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -20.039 14.006 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -23.054 12.080 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -22.447 10.504 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -22.930 11.745 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -21.759 15.486 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -21.298 14.249 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -22.824 14.090 -6.119 1.00 0.00 H new ATOM 112 N ASP A 158 -20.200 9.116 -3.462 1.00 0.00 N ATOM 113 CA ASP A 158 -20.133 7.707 -3.705 1.00 0.00 C ATOM 114 C ASP A 158 -21.433 7.212 -4.294 1.00 0.00 C ATOM 115 O ASP A 158 -22.420 7.005 -3.590 1.00 0.00 O ATOM 116 CB ASP A 158 -19.751 6.909 -2.454 1.00 0.00 C ATOM 117 CG ASP A 158 -19.655 5.418 -2.731 1.00 0.00 C ATOM 118 OD1 ASP A 158 -18.765 5.003 -3.495 1.00 0.00 O ATOM 119 OD2 ASP A 158 -20.447 4.635 -2.161 1.00 0.00 O ATOM 0 H ASP A 158 -20.330 9.385 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 158 -19.335 7.542 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -18.795 7.268 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -20.491 7.085 -1.673 1.00 0.00 H new ATOM 124 N LEU A 159 -21.434 7.043 -5.593 1.00 0.00 N ATOM 125 CA LEU A 159 -22.583 6.518 -6.345 1.00 0.00 C ATOM 126 C LEU A 159 -22.576 4.996 -6.260 1.00 0.00 C ATOM 127 O LEU A 159 -22.982 4.298 -7.189 1.00 0.00 O ATOM 128 CB LEU A 159 -22.467 6.948 -7.815 1.00 0.00 C ATOM 129 CG LEU A 159 -22.467 8.458 -8.095 1.00 0.00 C ATOM 130 CD1 LEU A 159 -22.238 8.717 -9.576 1.00 0.00 C ATOM 131 CD2 LEU A 159 -23.781 9.088 -7.651 1.00 0.00 C ATOM 0 H LEU A 159 -20.631 7.265 -6.181 1.00 0.00 H new ATOM 0 HA LEU A 159 -23.511 6.907 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -21.547 6.527 -8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -23.293 6.500 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 159 -21.656 8.913 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -22.240 9.791 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -21.276 8.299 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -23.033 8.247 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -23.760 10.158 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -24.607 8.629 -8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -23.918 8.928 -6.581 1.00 0.00 H new ATOM 143 N PHE A 160 -22.180 4.512 -5.100 1.00 0.00 N ATOM 144 CA PHE A 160 -21.960 3.125 -4.825 1.00 0.00 C ATOM 145 C PHE A 160 -20.855 2.572 -5.679 1.00 0.00 C ATOM 146 O PHE A 160 -21.095 1.943 -6.723 1.00 0.00 O ATOM 147 CB PHE A 160 -23.235 2.265 -4.873 1.00 0.00 C ATOM 148 CG PHE A 160 -24.210 2.595 -3.790 1.00 0.00 C ATOM 149 CD1 PHE A 160 -24.037 2.080 -2.523 1.00 0.00 C ATOM 150 CD2 PHE A 160 -25.287 3.430 -4.029 1.00 0.00 C ATOM 151 CE1 PHE A 160 -24.919 2.384 -1.516 1.00 0.00 C ATOM 152 CE2 PHE A 160 -26.174 3.740 -3.024 1.00 0.00 C ATOM 153 CZ PHE A 160 -25.989 3.217 -1.764 1.00 0.00 C ATOM 0 H PHE A 160 -21.997 5.110 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 160 -21.636 3.070 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -23.719 2.398 -5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -22.959 1.213 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -23.198 1.430 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -25.433 3.843 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -24.775 1.970 -0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -27.012 4.391 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 160 -26.681 3.459 -0.971 1.00 0.00 H new ATOM 163 N GLY A 161 -19.631 2.879 -5.264 1.00 0.00 N ATOM 164 CA GLY A 161 -18.463 2.380 -5.934 1.00 0.00 C ATOM 165 C GLY A 161 -18.373 0.885 -5.788 1.00 0.00 C ATOM 166 O GLY A 161 -17.802 0.193 -6.648 1.00 0.00 O ATOM 0 H GLY A 161 -19.434 3.476 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -18.500 2.647 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -17.570 2.847 -5.518 1.00 0.00 H new ATOM 170 N SER A 162 -18.966 0.384 -4.715 1.00 0.00 N ATOM 171 CA SER A 162 -19.016 -1.020 -4.436 1.00 0.00 C ATOM 172 C SER A 162 -19.897 -1.780 -5.429 1.00 0.00 C ATOM 173 O SER A 162 -21.111 -1.920 -5.232 1.00 0.00 O ATOM 174 CB SER A 162 -19.483 -1.277 -2.999 1.00 0.00 C ATOM 175 OG SER A 162 -18.589 -0.689 -2.074 1.00 0.00 O ATOM 0 H SER A 162 -19.429 0.960 -4.012 1.00 0.00 H new ATOM 0 HA SER A 162 -18.000 -1.399 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 162 -20.483 -0.868 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 162 -19.549 -2.350 -2.818 1.00 0.00 H new ATOM 0 HG SER A 162 -19.022 0.076 -1.642 1.00 0.00 H new ATOM 181 N ASP A 163 -19.304 -2.164 -6.534 1.00 0.00 N ATOM 182 CA ASP A 163 -19.946 -3.076 -7.467 1.00 0.00 C ATOM 183 C ASP A 163 -19.852 -4.425 -6.821 1.00 0.00 C ATOM 184 O ASP A 163 -20.830 -5.135 -6.651 1.00 0.00 O ATOM 185 CB ASP A 163 -19.215 -3.071 -8.807 1.00 0.00 C ATOM 186 CG ASP A 163 -19.855 -3.971 -9.834 1.00 0.00 C ATOM 187 OD1 ASP A 163 -20.816 -3.528 -10.503 1.00 0.00 O ATOM 188 OD2 ASP A 163 -19.392 -5.115 -10.006 1.00 0.00 O ATOM 0 H ASP A 163 -18.372 -1.860 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 163 -20.978 -2.793 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -19.185 -2.052 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -18.182 -3.384 -8.652 1.00 0.00 H new ATOM 193 N ASN A 164 -18.647 -4.735 -6.436 1.00 0.00 N ATOM 194 CA ASN A 164 -18.348 -5.860 -5.594 1.00 0.00 C ATOM 195 C ASN A 164 -18.046 -5.302 -4.199 1.00 0.00 C ATOM 196 O ASN A 164 -18.688 -5.662 -3.219 1.00 0.00 O ATOM 197 CB ASN A 164 -17.145 -6.697 -6.146 1.00 0.00 C ATOM 198 CG ASN A 164 -15.850 -5.896 -6.356 1.00 0.00 C ATOM 199 OD1 ASN A 164 -15.883 -4.695 -6.678 1.00 0.00 O ATOM 200 ND2 ASN A 164 -14.729 -6.520 -6.158 1.00 0.00 N ATOM 0 H ASN A 164 -17.823 -4.198 -6.706 1.00 0.00 H new ATOM 0 HA ASN A 164 -19.195 -6.545 -5.562 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -16.942 -7.516 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -17.437 -7.146 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -13.844 -6.025 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -14.733 -7.505 -5.895 1.00 0.00 H new ATOM 207 N GLU A 165 -17.116 -4.353 -4.161 1.00 0.00 N ATOM 208 CA GLU A 165 -16.685 -3.666 -2.973 1.00 0.00 C ATOM 209 C GLU A 165 -15.781 -2.529 -3.446 1.00 0.00 C ATOM 210 O GLU A 165 -14.985 -2.724 -4.362 1.00 0.00 O ATOM 211 CB GLU A 165 -15.937 -4.651 -2.066 1.00 0.00 C ATOM 212 CG GLU A 165 -15.446 -4.103 -0.748 1.00 0.00 C ATOM 213 CD GLU A 165 -14.923 -5.208 0.140 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.894 -5.833 -0.197 1.00 0.00 O ATOM 215 OE2 GLU A 165 -15.560 -5.508 1.163 1.00 0.00 O ATOM 0 H GLU A 165 -16.628 -4.037 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 165 -17.516 -3.266 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -16.595 -5.496 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -15.080 -5.040 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -14.658 -3.371 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -16.258 -3.580 -0.243 1.00 0.00 H new ATOM 222 N GLU A 166 -15.956 -1.336 -2.896 1.00 0.00 N ATOM 223 CA GLU A 166 -15.172 -0.180 -3.323 1.00 0.00 C ATOM 224 C GLU A 166 -13.684 -0.331 -3.069 1.00 0.00 C ATOM 225 O GLU A 166 -12.870 -0.088 -3.966 1.00 0.00 O ATOM 226 CB GLU A 166 -15.752 1.175 -2.818 1.00 0.00 C ATOM 227 CG GLU A 166 -16.228 1.232 -1.354 1.00 0.00 C ATOM 228 CD GLU A 166 -15.162 0.982 -0.327 1.00 0.00 C ATOM 229 OE1 GLU A 166 -14.359 1.892 -0.051 1.00 0.00 O ATOM 230 OE2 GLU A 166 -15.112 -0.136 0.230 1.00 0.00 O ATOM 0 H GLU A 166 -16.630 -1.141 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 166 -15.271 -0.151 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -14.990 1.942 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -16.593 1.443 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -16.666 2.213 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -17.022 0.497 -1.217 1.00 0.00 H new ATOM 237 N GLU A 167 -13.341 -0.759 -1.881 1.00 0.00 N ATOM 238 CA GLU A 167 -11.961 -0.967 -1.514 1.00 0.00 C ATOM 239 C GLU A 167 -11.393 -2.147 -2.271 1.00 0.00 C ATOM 240 O GLU A 167 -10.243 -2.107 -2.707 1.00 0.00 O ATOM 241 CB GLU A 167 -11.848 -1.173 0.000 1.00 0.00 C ATOM 242 CG GLU A 167 -10.434 -1.395 0.518 1.00 0.00 C ATOM 243 CD GLU A 167 -10.376 -1.434 2.019 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.664 -2.482 2.614 1.00 0.00 O ATOM 245 OE2 GLU A 167 -10.061 -0.395 2.639 1.00 0.00 O ATOM 0 H GLU A 167 -14.009 -0.973 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 167 -11.380 -0.084 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -12.270 -0.302 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -12.460 -2.030 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -10.045 -2.331 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.786 -0.598 0.152 1.00 0.00 H new ATOM 252 N ASP A 168 -12.252 -3.150 -2.473 1.00 0.00 N ATOM 253 CA ASP A 168 -11.906 -4.421 -3.110 1.00 0.00 C ATOM 254 C ASP A 168 -10.834 -5.078 -2.279 1.00 0.00 C ATOM 255 O ASP A 168 -9.652 -4.907 -2.517 1.00 0.00 O ATOM 256 CB ASP A 168 -11.461 -4.241 -4.569 1.00 0.00 C ATOM 257 CG ASP A 168 -11.463 -5.533 -5.366 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.764 -6.504 -5.006 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.152 -5.578 -6.414 1.00 0.00 O ATOM 0 H ASP A 168 -13.231 -3.098 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.790 -5.057 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.120 -3.522 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.458 -3.815 -4.585 1.00 0.00 H new ATOM 264 N LYS A 169 -11.285 -5.744 -1.252 1.00 0.00 N ATOM 265 CA LYS A 169 -10.473 -6.360 -0.208 1.00 0.00 C ATOM 266 C LYS A 169 -9.244 -7.099 -0.732 1.00 0.00 C ATOM 267 O LYS A 169 -8.118 -6.825 -0.298 1.00 0.00 O ATOM 268 CB LYS A 169 -11.353 -7.311 0.545 1.00 0.00 C ATOM 269 CG LYS A 169 -10.801 -7.831 1.833 1.00 0.00 C ATOM 270 CD LYS A 169 -11.790 -8.770 2.530 1.00 0.00 C ATOM 271 CE LYS A 169 -13.154 -8.114 2.863 1.00 0.00 C ATOM 272 NZ LYS A 169 -14.079 -7.980 1.694 1.00 0.00 N ATOM 0 H LYS A 169 -12.284 -5.886 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.086 -5.564 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.300 -6.812 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.575 -8.160 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.868 -8.361 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.565 -6.996 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.962 -9.638 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.339 -9.136 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -13.648 -8.704 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -12.974 -7.125 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -14.156 -6.978 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -13.706 -8.526 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -15.019 -8.343 1.952 1.00 0.00 H new ATOM 286 N GLU A 170 -9.443 -8.012 -1.646 1.00 0.00 N ATOM 287 CA GLU A 170 -8.350 -8.759 -2.200 1.00 0.00 C ATOM 288 C GLU A 170 -7.452 -7.914 -3.096 1.00 0.00 C ATOM 289 O GLU A 170 -6.233 -8.119 -3.108 1.00 0.00 O ATOM 290 CB GLU A 170 -8.793 -10.063 -2.873 1.00 0.00 C ATOM 291 CG GLU A 170 -9.987 -9.951 -3.803 1.00 0.00 C ATOM 292 CD GLU A 170 -11.292 -9.952 -3.044 1.00 0.00 C ATOM 293 OE1 GLU A 170 -11.820 -11.041 -2.760 1.00 0.00 O ATOM 294 OE2 GLU A 170 -11.794 -8.872 -2.698 1.00 0.00 O ATOM 0 H GLU A 170 -10.359 -8.256 -2.023 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.737 -9.057 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.951 -10.462 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.028 -10.790 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.907 -9.034 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -9.977 -10.781 -4.509 1.00 0.00 H new ATOM 301 N ALA A 171 -8.019 -6.948 -3.817 1.00 0.00 N ATOM 302 CA ALA A 171 -7.186 -6.049 -4.609 1.00 0.00 C ATOM 303 C ALA A 171 -6.376 -5.154 -3.687 1.00 0.00 C ATOM 304 O ALA A 171 -5.228 -4.830 -3.966 1.00 0.00 O ATOM 305 CB ALA A 171 -7.997 -5.213 -5.569 1.00 0.00 C ATOM 0 H ALA A 171 -9.022 -6.771 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.515 -6.664 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.332 -4.561 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.535 -5.867 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.711 -4.607 -5.011 1.00 0.00 H new ATOM 311 N ALA A 172 -6.987 -4.771 -2.580 1.00 0.00 N ATOM 312 CA ALA A 172 -6.343 -3.980 -1.553 1.00 0.00 C ATOM 313 C ALA A 172 -5.217 -4.778 -0.925 1.00 0.00 C ATOM 314 O ALA A 172 -4.153 -4.249 -0.634 1.00 0.00 O ATOM 315 CB ALA A 172 -7.349 -3.545 -0.496 1.00 0.00 C ATOM 0 H ALA A 172 -7.957 -5.005 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.928 -3.081 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.843 -2.952 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.131 -2.946 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.794 -4.426 -0.033 1.00 0.00 H new ATOM 321 N GLN A 173 -5.450 -6.064 -0.763 1.00 0.00 N ATOM 322 CA GLN A 173 -4.461 -6.965 -0.215 1.00 0.00 C ATOM 323 C GLN A 173 -3.268 -7.000 -1.165 1.00 0.00 C ATOM 324 O GLN A 173 -2.162 -6.641 -0.782 1.00 0.00 O ATOM 325 CB GLN A 173 -5.081 -8.379 -0.032 1.00 0.00 C ATOM 326 CG GLN A 173 -4.280 -9.398 0.815 1.00 0.00 C ATOM 327 CD GLN A 173 -2.930 -9.803 0.240 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.901 -9.210 0.542 1.00 0.00 O ATOM 329 NE2 GLN A 173 -2.923 -10.801 -0.585 1.00 0.00 N ATOM 0 H GLN A 173 -6.332 -6.513 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.128 -6.622 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.064 -8.260 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.237 -8.810 -1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.122 -8.976 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.886 -10.295 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.795 -11.276 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.045 -11.112 -1.002 1.00 0.00 H new ATOM 338 N LEU A 174 -3.506 -7.356 -2.419 1.00 0.00 N ATOM 339 CA LEU A 174 -2.422 -7.469 -3.378 1.00 0.00 C ATOM 340 C LEU A 174 -1.733 -6.129 -3.677 1.00 0.00 C ATOM 341 O LEU A 174 -0.532 -6.107 -3.962 1.00 0.00 O ATOM 342 CB LEU A 174 -2.866 -8.224 -4.643 1.00 0.00 C ATOM 343 CG LEU A 174 -4.042 -7.648 -5.433 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.621 -6.524 -6.370 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.780 -8.740 -6.166 1.00 0.00 C ATOM 0 H LEU A 174 -4.431 -7.569 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.648 -8.075 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.010 -8.289 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.122 -9.243 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.727 -7.201 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.494 -6.151 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.178 -5.714 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.890 -6.901 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.612 -8.307 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.101 -9.236 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.161 -9.467 -5.448 1.00 0.00 H new ATOM 357 N ARG A 175 -2.470 -5.010 -3.581 1.00 0.00 N ATOM 358 CA ARG A 175 -1.859 -3.708 -3.807 1.00 0.00 C ATOM 359 C ARG A 175 -0.897 -3.389 -2.662 1.00 0.00 C ATOM 360 O ARG A 175 0.118 -2.746 -2.859 1.00 0.00 O ATOM 361 CB ARG A 175 -2.892 -2.564 -4.006 1.00 0.00 C ATOM 362 CG ARG A 175 -3.572 -2.115 -2.739 1.00 0.00 C ATOM 363 CD ARG A 175 -4.611 -1.024 -2.973 1.00 0.00 C ATOM 364 NE ARG A 175 -5.760 -1.470 -3.787 1.00 0.00 N ATOM 365 CZ ARG A 175 -7.054 -1.145 -3.544 1.00 0.00 C ATOM 366 NH1 ARG A 175 -7.379 -0.410 -2.471 1.00 0.00 N ATOM 367 NH2 ARG A 175 -8.006 -1.556 -4.371 1.00 0.00 N ATOM 0 H ARG A 175 -3.464 -4.988 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.308 -3.769 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -2.387 -1.709 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -3.651 -2.895 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.054 -2.972 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -2.820 -1.749 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.975 -0.667 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -4.133 -0.178 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.566 -2.066 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -6.651 -0.092 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -8.354 -0.169 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.764 -2.116 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -8.980 -1.312 -4.189 1.00 0.00 H new ATOM 381 N GLU A 176 -1.207 -3.880 -1.472 1.00 0.00 N ATOM 382 CA GLU A 176 -0.342 -3.686 -0.339 1.00 0.00 C ATOM 383 C GLU A 176 0.770 -4.720 -0.323 1.00 0.00 C ATOM 384 O GLU A 176 1.888 -4.435 0.106 1.00 0.00 O ATOM 385 CB GLU A 176 -1.112 -3.690 0.972 1.00 0.00 C ATOM 386 CG GLU A 176 -2.043 -2.502 1.136 1.00 0.00 C ATOM 387 CD GLU A 176 -2.547 -2.369 2.545 1.00 0.00 C ATOM 388 OE1 GLU A 176 -1.773 -1.896 3.410 1.00 0.00 O ATOM 389 OE2 GLU A 176 -3.705 -2.700 2.821 1.00 0.00 O ATOM 0 H GLU A 176 -2.053 -4.414 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 176 0.110 -2.700 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.695 -4.609 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -0.403 -3.702 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.519 -1.590 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.889 -2.609 0.457 1.00 0.00 H new ATOM 396 N GLU A 177 0.466 -5.900 -0.811 1.00 0.00 N ATOM 397 CA GLU A 177 1.415 -6.992 -0.923 1.00 0.00 C ATOM 398 C GLU A 177 2.539 -6.566 -1.871 1.00 0.00 C ATOM 399 O GLU A 177 3.726 -6.685 -1.547 1.00 0.00 O ATOM 400 CB GLU A 177 0.667 -8.219 -1.441 1.00 0.00 C ATOM 401 CG GLU A 177 1.327 -9.587 -1.242 1.00 0.00 C ATOM 402 CD GLU A 177 2.571 -9.811 -2.050 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.480 -9.842 -3.299 1.00 0.00 O ATOM 404 OE2 GLU A 177 3.643 -10.043 -1.463 1.00 0.00 O ATOM 0 H GLU A 177 -0.467 -6.136 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 177 1.862 -7.241 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -0.311 -8.244 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.494 -8.081 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 177 1.570 -9.707 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 177 0.604 -10.363 -1.492 1.00 0.00 H new ATOM 411 N ARG A 178 2.156 -6.003 -3.019 1.00 0.00 N ATOM 412 CA ARG A 178 3.130 -5.500 -3.978 1.00 0.00 C ATOM 413 C ARG A 178 3.884 -4.303 -3.384 1.00 0.00 C ATOM 414 O ARG A 178 5.067 -4.145 -3.625 1.00 0.00 O ATOM 415 CB ARG A 178 2.472 -5.113 -5.333 1.00 0.00 C ATOM 416 CG ARG A 178 1.583 -3.880 -5.267 1.00 0.00 C ATOM 417 CD ARG A 178 0.902 -3.544 -6.585 1.00 0.00 C ATOM 418 NE ARG A 178 0.096 -2.315 -6.451 1.00 0.00 N ATOM 419 CZ ARG A 178 -0.850 -1.880 -7.311 1.00 0.00 C ATOM 420 NH1 ARG A 178 -1.145 -2.581 -8.414 1.00 0.00 N ATOM 421 NH2 ARG A 178 -1.494 -0.744 -7.054 1.00 0.00 N ATOM 0 H ARG A 178 1.183 -5.886 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 178 3.836 -6.304 -4.183 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.257 -4.941 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 178 1.879 -5.955 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.820 -4.034 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.183 -3.027 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.652 -3.411 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.264 -4.372 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 178 0.271 -1.738 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.653 -3.453 -8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -1.861 -2.243 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.271 -0.210 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -2.210 -0.407 -7.697 1.00 0.00 H new ATOM 435 N LEU A 179 3.184 -3.500 -2.572 1.00 0.00 N ATOM 436 CA LEU A 179 3.752 -2.311 -1.938 1.00 0.00 C ATOM 437 C LEU A 179 4.874 -2.707 -0.983 1.00 0.00 C ATOM 438 O LEU A 179 5.963 -2.131 -1.028 1.00 0.00 O ATOM 439 CB LEU A 179 2.615 -1.513 -1.209 1.00 0.00 C ATOM 440 CG LEU A 179 2.942 -0.145 -0.528 1.00 0.00 C ATOM 441 CD1 LEU A 179 3.718 -0.299 0.780 1.00 0.00 C ATOM 442 CD2 LEU A 179 3.692 0.766 -1.486 1.00 0.00 C ATOM 0 H LEU A 179 2.204 -3.661 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 179 4.188 -1.660 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.825 -1.333 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.199 -2.167 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 179 1.985 0.310 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 179 3.915 0.686 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 179 3.130 -0.887 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.663 -0.805 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.910 1.713 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.626 0.290 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.079 0.950 -2.368 1.00 0.00 H new ATOM 454 N ARG A 180 4.605 -3.705 -0.149 1.00 0.00 N ATOM 455 CA ARG A 180 5.573 -4.169 0.840 1.00 0.00 C ATOM 456 C ARG A 180 6.872 -4.596 0.216 1.00 0.00 C ATOM 457 O ARG A 180 7.913 -4.063 0.565 1.00 0.00 O ATOM 458 CB ARG A 180 5.021 -5.284 1.737 1.00 0.00 C ATOM 459 CG ARG A 180 4.389 -4.812 3.045 1.00 0.00 C ATOM 460 CD ARG A 180 3.236 -3.856 2.837 1.00 0.00 C ATOM 461 NE ARG A 180 2.621 -3.475 4.106 1.00 0.00 N ATOM 462 CZ ARG A 180 1.429 -2.911 4.242 1.00 0.00 C ATOM 463 NH1 ARG A 180 0.783 -2.469 3.184 1.00 0.00 N ATOM 464 NH2 ARG A 180 0.913 -2.741 5.447 1.00 0.00 N ATOM 0 H ARG A 180 3.720 -4.211 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 180 5.771 -3.304 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.276 -5.846 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.831 -5.974 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.038 -5.679 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.151 -4.326 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.590 -2.964 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.488 -4.320 2.194 1.00 0.00 H new ATOM 0 HE ARG A 180 3.152 -3.658 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.199 -2.560 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -0.134 -2.035 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.432 -3.044 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.004 -2.307 5.553 1.00 0.00 H new ATOM 478 N GLN A 181 6.815 -5.507 -0.734 1.00 0.00 N ATOM 479 CA GLN A 181 8.019 -6.013 -1.357 1.00 0.00 C ATOM 480 C GLN A 181 8.741 -4.926 -2.148 1.00 0.00 C ATOM 481 O GLN A 181 9.958 -4.814 -2.073 1.00 0.00 O ATOM 482 CB GLN A 181 7.722 -7.235 -2.219 1.00 0.00 C ATOM 483 CG GLN A 181 6.765 -7.000 -3.372 1.00 0.00 C ATOM 484 CD GLN A 181 6.606 -8.232 -4.223 1.00 0.00 C ATOM 485 OE1 GLN A 181 7.517 -9.048 -4.329 1.00 0.00 O ATOM 486 NE2 GLN A 181 5.463 -8.399 -4.822 1.00 0.00 N ATOM 0 H GLN A 181 5.949 -5.911 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 181 8.693 -6.330 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.662 -7.613 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.311 -8.017 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.793 -6.699 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.131 -6.178 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 181 4.725 -7.703 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 181 5.305 -9.226 -5.399 1.00 0.00 H new ATOM 495 N TYR A 182 7.968 -4.099 -2.840 1.00 0.00 N ATOM 496 CA TYR A 182 8.480 -2.995 -3.660 1.00 0.00 C ATOM 497 C TYR A 182 9.326 -2.043 -2.822 1.00 0.00 C ATOM 498 O TYR A 182 10.392 -1.593 -3.254 1.00 0.00 O ATOM 499 CB TYR A 182 7.291 -2.254 -4.300 1.00 0.00 C ATOM 500 CG TYR A 182 7.620 -1.049 -5.154 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.196 -1.191 -6.408 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.327 0.235 -4.712 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.478 -0.091 -7.190 1.00 0.00 C ATOM 504 CE2 TYR A 182 7.602 1.336 -5.491 1.00 0.00 C ATOM 505 CZ TYR A 182 8.178 1.168 -6.730 1.00 0.00 C ATOM 506 OH TYR A 182 8.457 2.268 -7.506 1.00 0.00 O ATOM 0 H TYR A 182 6.951 -4.173 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 182 9.121 -3.395 -4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.738 -2.965 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.621 -1.933 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.427 -2.179 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 182 6.876 0.372 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 182 8.933 -0.219 -8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.367 2.327 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 182 8.181 3.081 -7.033 1.00 0.00 H new ATOM 516 N ALA A 183 8.862 -1.760 -1.632 1.00 0.00 N ATOM 517 CA ALA A 183 9.561 -0.870 -0.734 1.00 0.00 C ATOM 518 C ALA A 183 10.674 -1.597 0.026 1.00 0.00 C ATOM 519 O ALA A 183 11.792 -1.091 0.139 1.00 0.00 O ATOM 520 CB ALA A 183 8.577 -0.237 0.238 1.00 0.00 C ATOM 0 H ALA A 183 7.992 -2.137 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 183 10.030 -0.087 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.111 0.433 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.829 0.328 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.085 -1.018 0.818 1.00 0.00 H new ATOM 526 N GLU A 184 10.373 -2.792 0.506 1.00 0.00 N ATOM 527 CA GLU A 184 11.286 -3.559 1.348 1.00 0.00 C ATOM 528 C GLU A 184 12.544 -4.000 0.606 1.00 0.00 C ATOM 529 O GLU A 184 13.643 -3.979 1.180 1.00 0.00 O ATOM 530 CB GLU A 184 10.592 -4.788 1.924 1.00 0.00 C ATOM 531 CG GLU A 184 11.424 -5.532 2.950 1.00 0.00 C ATOM 532 CD GLU A 184 10.800 -6.821 3.376 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.720 -6.797 4.003 1.00 0.00 O ATOM 534 OE2 GLU A 184 11.378 -7.892 3.097 1.00 0.00 O ATOM 0 H GLU A 184 9.486 -3.262 0.324 1.00 0.00 H new ATOM 0 HA GLU A 184 11.587 -2.889 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.652 -4.482 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.342 -5.468 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 184 12.412 -5.731 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.568 -4.897 3.824 1.00 0.00 H new ATOM 541 N LYS A 185 12.406 -4.375 -0.668 1.00 0.00 N ATOM 542 CA LYS A 185 13.549 -4.891 -1.427 1.00 0.00 C ATOM 543 C LYS A 185 14.589 -3.803 -1.694 1.00 0.00 C ATOM 544 O LYS A 185 15.699 -4.078 -2.167 1.00 0.00 O ATOM 545 CB LYS A 185 13.109 -5.597 -2.722 1.00 0.00 C ATOM 546 CG LYS A 185 12.514 -4.699 -3.798 1.00 0.00 C ATOM 547 CD LYS A 185 11.987 -5.486 -5.020 1.00 0.00 C ATOM 548 CE LYS A 185 13.081 -6.101 -5.928 1.00 0.00 C ATOM 549 NZ LYS A 185 13.835 -7.231 -5.317 1.00 0.00 N ATOM 0 H LYS A 185 11.530 -4.333 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 185 14.030 -5.646 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 185 13.972 -6.113 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 185 12.374 -6.360 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 185 11.698 -4.118 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 185 13.271 -3.988 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.339 -6.287 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.369 -4.820 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.615 -6.449 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 185 13.787 -5.318 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.998 -7.967 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 14.749 -6.886 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.285 -7.630 -4.530 1.00 0.00 H new ATOM 563 N LYS A 186 14.233 -2.576 -1.389 1.00 0.00 N ATOM 564 CA LYS A 186 15.149 -1.483 -1.467 1.00 0.00 C ATOM 565 C LYS A 186 15.768 -1.337 -0.088 1.00 0.00 C ATOM 566 O LYS A 186 15.313 -0.537 0.726 1.00 0.00 O ATOM 567 CB LYS A 186 14.435 -0.179 -1.861 1.00 0.00 C ATOM 568 CG LYS A 186 13.595 -0.269 -3.128 1.00 0.00 C ATOM 569 CD LYS A 186 14.421 -0.632 -4.350 1.00 0.00 C ATOM 570 CE LYS A 186 13.547 -0.722 -5.594 1.00 0.00 C ATOM 571 NZ LYS A 186 12.908 0.570 -5.929 1.00 0.00 N ATOM 0 H LYS A 186 13.296 -2.317 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 186 15.903 -1.676 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 186 13.792 0.130 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 186 15.183 0.603 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 186 12.812 -1.014 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 186 13.099 0.686 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.200 0.115 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 186 14.922 -1.585 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.153 -1.054 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 186 12.776 -1.476 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 12.509 0.521 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 12.148 0.769 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.618 1.329 -5.888 1.00 0.00 H new ATOM 585 N ALA A 187 16.736 -2.167 0.203 1.00 0.00 N ATOM 586 CA ALA A 187 17.352 -2.189 1.508 1.00 0.00 C ATOM 587 C ALA A 187 18.397 -1.115 1.600 1.00 0.00 C ATOM 588 O ALA A 187 19.332 -1.093 0.808 1.00 0.00 O ATOM 589 CB ALA A 187 17.959 -3.556 1.783 1.00 0.00 C ATOM 0 H ALA A 187 17.120 -2.846 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 187 16.590 -1.997 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 187 18.420 -3.557 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 187 17.178 -4.315 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 187 18.715 -3.777 1.030 1.00 0.00 H new ATOM 595 N LYS A 188 18.236 -0.208 2.526 1.00 0.00 N ATOM 596 CA LYS A 188 19.196 0.855 2.676 1.00 0.00 C ATOM 597 C LYS A 188 19.873 0.791 4.036 1.00 0.00 C ATOM 598 O LYS A 188 19.382 1.334 5.020 1.00 0.00 O ATOM 599 CB LYS A 188 18.615 2.287 2.370 1.00 0.00 C ATOM 600 CG LYS A 188 17.429 2.775 3.239 1.00 0.00 C ATOM 601 CD LYS A 188 16.096 2.109 2.897 1.00 0.00 C ATOM 602 CE LYS A 188 15.553 2.566 1.548 1.00 0.00 C ATOM 603 NZ LYS A 188 14.274 1.897 1.231 1.00 0.00 N ATOM 0 H LYS A 188 17.456 -0.182 3.183 1.00 0.00 H new ATOM 0 HA LYS A 188 19.954 0.690 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.426 3.008 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.299 2.307 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 188 17.659 2.588 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 188 17.326 3.854 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 188 16.225 1.027 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 188 15.368 2.336 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 188 15.408 3.646 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 188 16.282 2.350 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 13.804 2.399 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 14.458 0.913 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 13.659 1.908 2.070 1.00 0.00 H new ATOM 617 N LYS A 189 20.963 0.059 4.113 1.00 0.00 N ATOM 618 CA LYS A 189 21.724 -0.021 5.349 1.00 0.00 C ATOM 619 C LYS A 189 23.178 0.412 5.123 1.00 0.00 C ATOM 620 O LYS A 189 24.060 -0.434 5.000 1.00 0.00 O ATOM 621 CB LYS A 189 21.716 -1.440 6.004 1.00 0.00 C ATOM 622 CG LYS A 189 20.372 -1.988 6.517 1.00 0.00 C ATOM 623 CD LYS A 189 19.413 -2.393 5.401 1.00 0.00 C ATOM 624 CE LYS A 189 18.150 -3.046 5.959 1.00 0.00 C ATOM 625 NZ LYS A 189 17.391 -2.140 6.844 1.00 0.00 N ATOM 0 H LYS A 189 21.344 -0.488 3.341 1.00 0.00 H new ATOM 0 HA LYS A 189 21.224 0.659 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 189 22.109 -2.148 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 189 22.413 -1.426 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 189 20.561 -2.852 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 189 19.894 -1.231 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 189 19.142 -1.514 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.913 -3.085 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 189 17.512 -3.361 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 189 18.423 -3.945 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 16.479 -2.577 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 17.936 -1.967 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 17.223 -1.238 6.355 1.00 0.00 H new ATOM 639 N PRO A 190 23.449 1.727 4.980 1.00 0.00 N ATOM 640 CA PRO A 190 24.825 2.228 4.851 1.00 0.00 C ATOM 641 C PRO A 190 25.510 2.187 6.212 1.00 0.00 C ATOM 642 O PRO A 190 26.721 2.003 6.329 1.00 0.00 O ATOM 643 CB PRO A 190 24.643 3.686 4.389 1.00 0.00 C ATOM 644 CG PRO A 190 23.191 3.813 4.043 1.00 0.00 C ATOM 645 CD PRO A 190 22.475 2.815 4.892 1.00 0.00 C ATOM 0 HA PRO A 190 25.436 1.643 4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 190 24.922 4.386 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 190 25.273 3.907 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 190 22.830 4.823 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 190 23.024 3.616 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 190 22.227 3.219 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 190 21.540 2.489 4.436 1.00 0.00 H new ATOM 653 N ALA A 191 24.701 2.347 7.220 1.00 0.00 N ATOM 654 CA ALA A 191 25.082 2.278 8.587 1.00 0.00 C ATOM 655 C ALA A 191 23.948 1.598 9.301 1.00 0.00 C ATOM 656 O ALA A 191 22.779 1.884 9.008 1.00 0.00 O ATOM 657 CB ALA A 191 25.301 3.670 9.144 1.00 0.00 C ATOM 0 H ALA A 191 23.707 2.539 7.095 1.00 0.00 H new ATOM 0 HA ALA A 191 26.016 1.731 8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 191 25.592 3.601 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 191 26.090 4.168 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 191 24.378 4.244 9.061 1.00 0.00 H new ATOM 663 N LEU A 192 24.255 0.690 10.175 1.00 0.00 N ATOM 664 CA LEU A 192 23.231 -0.054 10.862 1.00 0.00 C ATOM 665 C LEU A 192 22.940 0.583 12.205 1.00 0.00 C ATOM 666 O LEU A 192 21.946 1.333 12.322 1.00 0.00 O ATOM 667 CB LEU A 192 23.592 -1.556 11.015 1.00 0.00 C ATOM 668 CG LEU A 192 23.626 -2.428 9.728 1.00 0.00 C ATOM 669 CD1 LEU A 192 24.776 -2.062 8.795 1.00 0.00 C ATOM 670 CD2 LEU A 192 23.683 -3.901 10.086 1.00 0.00 C ATOM 671 OXT LEU A 192 23.747 0.407 13.135 1.00 0.00 O ATOM 0 H LEU A 192 25.210 0.441 10.434 1.00 0.00 H new ATOM 0 HA LEU A 192 22.329 -0.017 10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 192 24.572 -1.618 11.488 1.00 0.00 H new ATOM 0 HB3 LEU A 192 22.876 -2.004 11.704 1.00 0.00 H new ATOM 0 HG LEU A 192 22.703 -2.224 9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 192 24.748 -2.704 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 192 24.678 -1.021 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 192 25.724 -2.200 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 192 23.706 -4.497 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 192 24.581 -4.099 10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 192 22.803 -4.168 10.671 1.00 0.00 H new TER 683 LEU A 192