USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 181 GLN : amide:sc= 1.01 K(o=2.2,f=-3.6) USER MOD Set 1.2: A 185 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.353) USER MOD Single : A 152 SER OG : rot -135:sc= 1.13 USER MOD Single : A 162 SER OG : rot -139:sc= 0.85 USER MOD Single : A 164 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.5!) USER MOD Single : A 169 LYS NZ :NH3+ 153:sc= 1.88 (180deg=1.18) USER MOD Single : A 173 GLN : amide:sc= -0.773 K(o=-0.77,f=-6.6!) USER MOD Single : A 182 TYR OH : rot 151:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ -134:sc= -0.445 (180deg=-2.35!) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -7.114 -14.354 1.274 1.00 0.00 N ATOM 2 CA GLY A 149 -6.882 -13.405 2.361 1.00 0.00 C ATOM 3 C GLY A 149 -6.121 -14.046 3.483 1.00 0.00 C ATOM 4 O GLY A 149 -6.052 -15.267 3.551 1.00 0.00 O ATOM 0 HA2 GLY A 149 -6.327 -12.545 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.836 -13.031 2.732 1.00 0.00 H new ATOM 10 N PRO A 150 -5.527 -13.260 4.393 1.00 0.00 N ATOM 11 CA PRO A 150 -4.743 -13.781 5.511 1.00 0.00 C ATOM 12 C PRO A 150 -5.581 -13.889 6.790 1.00 0.00 C ATOM 13 O PRO A 150 -5.049 -14.036 7.900 1.00 0.00 O ATOM 14 CB PRO A 150 -3.687 -12.695 5.666 1.00 0.00 C ATOM 15 CG PRO A 150 -4.426 -11.428 5.381 1.00 0.00 C ATOM 16 CD PRO A 150 -5.535 -11.780 4.401 1.00 0.00 C ATOM 0 HA PRO A 150 -4.352 -14.784 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -3.262 -12.692 6.670 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -2.860 -12.840 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -4.839 -11.006 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -3.759 -10.678 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.498 -11.385 4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.340 -11.372 3.409 1.00 0.00 H new ATOM 24 N GLY A 151 -6.867 -13.788 6.625 1.00 0.00 N ATOM 25 CA GLY A 151 -7.786 -13.838 7.717 1.00 0.00 C ATOM 26 C GLY A 151 -9.168 -13.970 7.182 1.00 0.00 C ATOM 27 O GLY A 151 -10.035 -13.130 7.443 1.00 0.00 O ATOM 0 H GLY A 151 -7.310 -13.667 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -7.552 -14.681 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -7.701 -12.935 8.322 1.00 0.00 H new ATOM 31 N SER A 152 -9.348 -14.989 6.402 1.00 0.00 N ATOM 32 CA SER A 152 -10.592 -15.272 5.747 1.00 0.00 C ATOM 33 C SER A 152 -11.213 -16.510 6.401 1.00 0.00 C ATOM 34 O SER A 152 -10.615 -17.073 7.332 1.00 0.00 O ATOM 35 CB SER A 152 -10.285 -15.546 4.279 1.00 0.00 C ATOM 36 OG SER A 152 -9.515 -14.481 3.724 1.00 0.00 O ATOM 0 H SER A 152 -8.615 -15.668 6.196 1.00 0.00 H new ATOM 0 HA SER A 152 -11.291 -14.439 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 152 -9.740 -16.485 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 152 -11.215 -15.660 3.722 1.00 0.00 H new ATOM 0 HG SER A 152 -9.874 -14.241 2.844 1.00 0.00 H new ATOM 42 N GLU A 153 -12.396 -16.937 5.945 1.00 0.00 N ATOM 43 CA GLU A 153 -12.956 -18.164 6.463 1.00 0.00 C ATOM 44 C GLU A 153 -12.135 -19.299 5.901 1.00 0.00 C ATOM 45 O GLU A 153 -11.607 -20.136 6.642 1.00 0.00 O ATOM 46 CB GLU A 153 -14.452 -18.323 6.121 1.00 0.00 C ATOM 47 CG GLU A 153 -15.037 -19.634 6.637 1.00 0.00 C ATOM 48 CD GLU A 153 -16.523 -19.777 6.428 1.00 0.00 C ATOM 49 OE1 GLU A 153 -16.967 -19.975 5.284 1.00 0.00 O ATOM 50 OE2 GLU A 153 -17.283 -19.721 7.425 1.00 0.00 O ATOM 0 H GLU A 153 -12.960 -16.461 5.241 1.00 0.00 H new ATOM 0 HA GLU A 153 -12.912 -18.157 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -15.009 -17.489 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -14.581 -18.273 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -14.531 -20.463 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -14.822 -19.719 7.702 1.00 0.00 H new ATOM 57 N ASP A 154 -12.014 -19.313 4.593 1.00 0.00 N ATOM 58 CA ASP A 154 -11.155 -20.249 3.948 1.00 0.00 C ATOM 59 C ASP A 154 -10.309 -19.568 2.883 1.00 0.00 C ATOM 60 O ASP A 154 -9.119 -19.331 3.086 1.00 0.00 O ATOM 61 CB ASP A 154 -11.966 -21.378 3.319 1.00 0.00 C ATOM 62 CG ASP A 154 -11.098 -22.437 2.677 1.00 0.00 C ATOM 63 OD1 ASP A 154 -10.656 -23.368 3.389 1.00 0.00 O ATOM 64 OD2 ASP A 154 -10.849 -22.379 1.448 1.00 0.00 O ATOM 0 H ASP A 154 -12.506 -18.680 3.963 1.00 0.00 H new ATOM 0 HA ASP A 154 -10.492 -20.667 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -12.590 -21.841 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -12.638 -20.962 2.569 1.00 0.00 H new ATOM 69 N ASP A 155 -10.919 -19.224 1.762 1.00 0.00 N ATOM 70 CA ASP A 155 -10.158 -18.663 0.665 1.00 0.00 C ATOM 71 C ASP A 155 -10.168 -17.137 0.585 1.00 0.00 C ATOM 72 O ASP A 155 -9.170 -16.476 0.908 1.00 0.00 O ATOM 73 CB ASP A 155 -10.522 -19.302 -0.673 1.00 0.00 C ATOM 74 CG ASP A 155 -9.407 -19.156 -1.684 1.00 0.00 C ATOM 75 OD1 ASP A 155 -8.326 -19.730 -1.454 1.00 0.00 O ATOM 76 OD2 ASP A 155 -9.571 -18.471 -2.717 1.00 0.00 O ATOM 0 H ASP A 155 -11.920 -19.321 1.591 1.00 0.00 H new ATOM 0 HA ASP A 155 -9.124 -18.922 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -10.742 -20.359 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -11.429 -18.840 -1.062 1.00 0.00 H new ATOM 81 N ASP A 156 -11.321 -16.576 0.209 1.00 0.00 N ATOM 82 CA ASP A 156 -11.411 -15.142 -0.130 1.00 0.00 C ATOM 83 C ASP A 156 -11.766 -14.257 1.047 1.00 0.00 C ATOM 84 O ASP A 156 -10.903 -13.576 1.611 1.00 0.00 O ATOM 85 CB ASP A 156 -12.450 -14.879 -1.249 1.00 0.00 C ATOM 86 CG ASP A 156 -12.163 -15.557 -2.558 1.00 0.00 C ATOM 87 OD1 ASP A 156 -11.388 -15.016 -3.363 1.00 0.00 O ATOM 88 OD2 ASP A 156 -12.744 -16.632 -2.829 1.00 0.00 O ATOM 0 H ASP A 156 -12.202 -17.084 0.130 1.00 0.00 H new ATOM 0 HA ASP A 156 -10.408 -14.884 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -13.429 -15.203 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -12.512 -13.804 -1.420 1.00 0.00 H new ATOM 93 N ILE A 157 -13.022 -14.273 1.427 1.00 0.00 N ATOM 94 CA ILE A 157 -13.540 -13.396 2.455 1.00 0.00 C ATOM 95 C ILE A 157 -13.676 -14.160 3.768 1.00 0.00 C ATOM 96 O ILE A 157 -13.713 -15.399 3.782 1.00 0.00 O ATOM 97 CB ILE A 157 -14.929 -12.825 1.988 1.00 0.00 C ATOM 98 CG1 ILE A 157 -14.781 -12.132 0.620 1.00 0.00 C ATOM 99 CG2 ILE A 157 -15.547 -11.852 3.002 1.00 0.00 C ATOM 100 CD1 ILE A 157 -13.916 -10.880 0.630 1.00 0.00 C ATOM 0 H ILE A 157 -13.721 -14.900 1.029 1.00 0.00 H new ATOM 0 HA ILE A 157 -12.854 -12.565 2.619 1.00 0.00 H new ATOM 0 HB ILE A 157 -15.608 -13.674 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -14.357 -12.844 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -15.773 -11.869 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -16.504 -11.492 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -15.702 -12.365 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -14.875 -11.007 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -13.870 -10.462 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -14.348 -10.145 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -12.910 -11.135 0.963 1.00 0.00 H new ATOM 112 N ASP A 158 -13.673 -13.440 4.865 1.00 0.00 N ATOM 113 CA ASP A 158 -13.844 -14.035 6.172 1.00 0.00 C ATOM 114 C ASP A 158 -15.310 -14.357 6.416 1.00 0.00 C ATOM 115 O ASP A 158 -16.181 -13.885 5.685 1.00 0.00 O ATOM 116 CB ASP A 158 -13.319 -13.097 7.269 1.00 0.00 C ATOM 117 CG ASP A 158 -13.433 -13.698 8.653 1.00 0.00 C ATOM 118 OD1 ASP A 158 -12.683 -14.612 8.968 1.00 0.00 O ATOM 119 OD2 ASP A 158 -14.309 -13.288 9.430 1.00 0.00 O ATOM 0 H ASP A 158 -13.552 -12.427 4.878 1.00 0.00 H new ATOM 0 HA ASP A 158 -13.269 -14.960 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -12.275 -12.856 7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -13.875 -12.160 7.237 1.00 0.00 H new ATOM 124 N LEU A 159 -15.558 -15.171 7.432 1.00 0.00 N ATOM 125 CA LEU A 159 -16.884 -15.531 7.889 1.00 0.00 C ATOM 126 C LEU A 159 -17.656 -14.223 8.154 1.00 0.00 C ATOM 127 O LEU A 159 -18.793 -14.051 7.721 1.00 0.00 O ATOM 128 CB LEU A 159 -16.713 -16.368 9.188 1.00 0.00 C ATOM 129 CG LEU A 159 -17.916 -17.151 9.758 1.00 0.00 C ATOM 130 CD1 LEU A 159 -17.453 -17.998 10.925 1.00 0.00 C ATOM 131 CD2 LEU A 159 -19.034 -16.238 10.223 1.00 0.00 C ATOM 0 H LEU A 159 -14.815 -15.611 7.975 1.00 0.00 H new ATOM 0 HA LEU A 159 -17.438 -16.121 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -15.912 -17.086 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -16.366 -15.691 9.968 1.00 0.00 H new ATOM 0 HG LEU A 159 -18.310 -17.774 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -18.299 -18.553 11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -16.689 -18.698 10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -17.037 -17.354 11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -19.855 -16.839 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -18.662 -15.577 11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -19.390 -15.641 9.383 1.00 0.00 H new ATOM 143 N PHE A 160 -17.003 -13.303 8.823 1.00 0.00 N ATOM 144 CA PHE A 160 -17.559 -12.013 9.070 1.00 0.00 C ATOM 145 C PHE A 160 -16.718 -11.007 8.307 1.00 0.00 C ATOM 146 O PHE A 160 -15.658 -10.567 8.775 1.00 0.00 O ATOM 147 CB PHE A 160 -17.587 -11.689 10.580 1.00 0.00 C ATOM 148 CG PHE A 160 -18.248 -10.370 10.921 1.00 0.00 C ATOM 149 CD1 PHE A 160 -19.629 -10.274 10.993 1.00 0.00 C ATOM 150 CD2 PHE A 160 -17.489 -9.232 11.159 1.00 0.00 C ATOM 151 CE1 PHE A 160 -20.242 -9.074 11.301 1.00 0.00 C ATOM 152 CE2 PHE A 160 -18.096 -8.030 11.467 1.00 0.00 C ATOM 153 CZ PHE A 160 -19.474 -7.951 11.536 1.00 0.00 C ATOM 0 H PHE A 160 -16.068 -13.438 9.209 1.00 0.00 H new ATOM 0 HA PHE A 160 -18.595 -11.978 8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -18.110 -12.490 11.102 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -16.564 -11.678 10.957 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -20.234 -11.149 10.806 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -16.412 -9.287 11.103 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -21.319 -9.015 11.358 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -17.494 -7.153 11.654 1.00 0.00 H new ATOM 0 HZ PHE A 160 -19.950 -7.011 11.774 1.00 0.00 H new ATOM 163 N GLY A 161 -17.133 -10.716 7.116 1.00 0.00 N ATOM 164 CA GLY A 161 -16.408 -9.810 6.284 1.00 0.00 C ATOM 165 C GLY A 161 -17.328 -9.110 5.351 1.00 0.00 C ATOM 166 O GLY A 161 -18.546 -9.153 5.538 1.00 0.00 O ATOM 0 H GLY A 161 -17.980 -11.097 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -15.883 -9.081 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -15.651 -10.353 5.718 1.00 0.00 H new ATOM 170 N SER A 162 -16.781 -8.485 4.358 1.00 0.00 N ATOM 171 CA SER A 162 -17.557 -7.762 3.416 1.00 0.00 C ATOM 172 C SER A 162 -17.310 -8.286 1.997 1.00 0.00 C ATOM 173 O SER A 162 -16.301 -7.969 1.361 1.00 0.00 O ATOM 174 CB SER A 162 -17.245 -6.269 3.547 1.00 0.00 C ATOM 175 OG SER A 162 -18.015 -5.468 2.662 1.00 0.00 O ATOM 0 H SER A 162 -15.777 -8.465 4.181 1.00 0.00 H new ATOM 0 HA SER A 162 -18.618 -7.906 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 162 -17.432 -5.952 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 162 -16.186 -6.105 3.350 1.00 0.00 H new ATOM 0 HG SER A 162 -17.449 -4.765 2.280 1.00 0.00 H new ATOM 181 N ASP A 163 -18.212 -9.134 1.542 1.00 0.00 N ATOM 182 CA ASP A 163 -18.158 -9.699 0.186 1.00 0.00 C ATOM 183 C ASP A 163 -18.791 -8.735 -0.821 1.00 0.00 C ATOM 184 O ASP A 163 -18.359 -8.636 -1.972 1.00 0.00 O ATOM 185 CB ASP A 163 -18.917 -11.045 0.160 1.00 0.00 C ATOM 186 CG ASP A 163 -19.033 -11.680 -1.221 1.00 0.00 C ATOM 187 OD1 ASP A 163 -19.956 -11.321 -1.978 1.00 0.00 O ATOM 188 OD2 ASP A 163 -18.239 -12.586 -1.551 1.00 0.00 O ATOM 0 H ASP A 163 -19.007 -9.457 2.093 1.00 0.00 H new ATOM 0 HA ASP A 163 -17.115 -9.858 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -18.413 -11.745 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -19.919 -10.890 0.560 1.00 0.00 H new ATOM 193 N ASN A 164 -19.753 -7.964 -0.337 1.00 0.00 N ATOM 194 CA ASN A 164 -20.608 -7.088 -1.172 1.00 0.00 C ATOM 195 C ASN A 164 -19.896 -5.883 -1.759 1.00 0.00 C ATOM 196 O ASN A 164 -20.478 -5.162 -2.581 1.00 0.00 O ATOM 197 CB ASN A 164 -21.812 -6.558 -0.388 1.00 0.00 C ATOM 198 CG ASN A 164 -22.815 -7.596 0.039 1.00 0.00 C ATOM 199 OD1 ASN A 164 -22.483 -8.750 0.299 1.00 0.00 O ATOM 200 ND2 ASN A 164 -24.050 -7.196 0.125 1.00 0.00 N ATOM 0 H ASN A 164 -19.976 -7.918 0.657 1.00 0.00 H new ATOM 0 HA ASN A 164 -20.917 -7.740 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -21.447 -6.044 0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -22.323 -5.814 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -24.778 -7.848 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -24.290 -6.230 -0.099 1.00 0.00 H new ATOM 207 N GLU A 165 -18.694 -5.625 -1.347 1.00 0.00 N ATOM 208 CA GLU A 165 -18.014 -4.444 -1.815 1.00 0.00 C ATOM 209 C GLU A 165 -17.176 -4.720 -3.051 1.00 0.00 C ATOM 210 O GLU A 165 -16.529 -5.776 -3.169 1.00 0.00 O ATOM 211 CB GLU A 165 -17.191 -3.812 -0.714 1.00 0.00 C ATOM 212 CG GLU A 165 -16.151 -4.711 -0.096 1.00 0.00 C ATOM 213 CD GLU A 165 -15.364 -3.970 0.920 1.00 0.00 C ATOM 214 OE1 GLU A 165 -14.370 -3.345 0.555 1.00 0.00 O ATOM 215 OE2 GLU A 165 -15.754 -3.942 2.092 1.00 0.00 O ATOM 0 H GLU A 165 -18.164 -6.204 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 165 -18.781 -3.727 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -16.693 -2.929 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -17.865 -3.469 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -16.634 -5.572 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -15.487 -5.095 -0.870 1.00 0.00 H new ATOM 222 N GLU A 166 -17.186 -3.772 -3.966 1.00 0.00 N ATOM 223 CA GLU A 166 -16.456 -3.895 -5.212 1.00 0.00 C ATOM 224 C GLU A 166 -14.998 -3.505 -5.045 1.00 0.00 C ATOM 225 O GLU A 166 -14.175 -3.756 -5.923 1.00 0.00 O ATOM 226 CB GLU A 166 -17.160 -3.135 -6.366 1.00 0.00 C ATOM 227 CG GLU A 166 -17.492 -1.657 -6.109 1.00 0.00 C ATOM 228 CD GLU A 166 -16.290 -0.751 -6.045 1.00 0.00 C ATOM 229 OE1 GLU A 166 -15.650 -0.517 -7.069 1.00 0.00 O ATOM 230 OE2 GLU A 166 -15.985 -0.236 -4.958 1.00 0.00 O ATOM 0 H GLU A 166 -17.699 -2.896 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 166 -16.459 -4.947 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -16.526 -3.194 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -18.087 -3.657 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -18.156 -1.304 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -18.041 -1.578 -5.171 1.00 0.00 H new ATOM 237 N GLU A 167 -14.704 -2.849 -3.922 1.00 0.00 N ATOM 238 CA GLU A 167 -13.343 -2.476 -3.563 1.00 0.00 C ATOM 239 C GLU A 167 -12.480 -3.722 -3.521 1.00 0.00 C ATOM 240 O GLU A 167 -11.361 -3.720 -4.037 1.00 0.00 O ATOM 241 CB GLU A 167 -13.332 -1.751 -2.215 1.00 0.00 C ATOM 242 CG GLU A 167 -11.959 -1.317 -1.726 1.00 0.00 C ATOM 243 CD GLU A 167 -12.048 -0.456 -0.497 1.00 0.00 C ATOM 244 OE1 GLU A 167 -12.355 0.751 -0.639 1.00 0.00 O ATOM 245 OE2 GLU A 167 -11.805 -0.941 0.640 1.00 0.00 O ATOM 0 H GLU A 167 -15.405 -2.563 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 167 -12.938 -1.794 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -13.969 -0.870 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -13.778 -2.405 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -11.356 -2.198 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -11.448 -0.768 -2.517 1.00 0.00 H new ATOM 252 N ASP A 168 -13.053 -4.782 -2.935 1.00 0.00 N ATOM 253 CA ASP A 168 -12.454 -6.120 -2.861 1.00 0.00 C ATOM 254 C ASP A 168 -11.209 -6.126 -1.997 1.00 0.00 C ATOM 255 O ASP A 168 -10.169 -5.589 -2.356 1.00 0.00 O ATOM 256 CB ASP A 168 -12.171 -6.678 -4.258 1.00 0.00 C ATOM 257 CG ASP A 168 -11.851 -8.145 -4.247 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.814 -8.533 -3.721 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.660 -8.936 -4.799 1.00 0.00 O ATOM 0 H ASP A 168 -13.969 -4.731 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 168 -13.180 -6.779 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -13.038 -6.505 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.337 -6.133 -4.700 1.00 0.00 H new ATOM 264 N LYS A 169 -11.328 -6.741 -0.850 1.00 0.00 N ATOM 265 CA LYS A 169 -10.261 -6.788 0.133 1.00 0.00 C ATOM 266 C LYS A 169 -9.056 -7.593 -0.322 1.00 0.00 C ATOM 267 O LYS A 169 -7.936 -7.340 0.125 1.00 0.00 O ATOM 268 CB LYS A 169 -10.797 -7.280 1.471 1.00 0.00 C ATOM 269 CG LYS A 169 -10.994 -6.177 2.514 1.00 0.00 C ATOM 270 CD LYS A 169 -11.830 -5.016 1.978 1.00 0.00 C ATOM 271 CE LYS A 169 -11.996 -3.920 3.017 1.00 0.00 C ATOM 272 NZ LYS A 169 -12.692 -2.743 2.465 1.00 0.00 N ATOM 0 H LYS A 169 -12.175 -7.231 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.896 -5.768 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.750 -7.782 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -10.110 -8.025 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -11.480 -6.596 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.021 -5.804 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.354 -4.605 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -12.811 -5.383 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -12.556 -4.308 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.016 -3.621 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -13.185 -2.240 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -11.999 -2.106 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -13.384 -3.051 1.752 1.00 0.00 H new ATOM 286 N GLU A 170 -9.267 -8.513 -1.227 1.00 0.00 N ATOM 287 CA GLU A 170 -8.185 -9.312 -1.749 1.00 0.00 C ATOM 288 C GLU A 170 -7.430 -8.454 -2.754 1.00 0.00 C ATOM 289 O GLU A 170 -6.186 -8.369 -2.728 1.00 0.00 O ATOM 290 CB GLU A 170 -8.736 -10.564 -2.435 1.00 0.00 C ATOM 291 CG GLU A 170 -7.686 -11.600 -2.825 1.00 0.00 C ATOM 292 CD GLU A 170 -7.018 -12.217 -1.626 1.00 0.00 C ATOM 293 OE1 GLU A 170 -7.703 -12.932 -0.857 1.00 0.00 O ATOM 294 OE2 GLU A 170 -5.804 -12.005 -1.415 1.00 0.00 O ATOM 0 H GLU A 170 -10.183 -8.729 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.524 -9.634 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -9.460 -11.035 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.276 -10.261 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -8.156 -12.384 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -6.932 -11.130 -3.456 1.00 0.00 H new ATOM 301 N ALA A 171 -8.194 -7.764 -3.601 1.00 0.00 N ATOM 302 CA ALA A 171 -7.627 -6.886 -4.608 1.00 0.00 C ATOM 303 C ALA A 171 -6.896 -5.720 -3.957 1.00 0.00 C ATOM 304 O ALA A 171 -5.780 -5.385 -4.343 1.00 0.00 O ATOM 305 CB ALA A 171 -8.695 -6.383 -5.562 1.00 0.00 C ATOM 0 H ALA A 171 -9.213 -7.801 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.906 -7.464 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -8.240 -5.728 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -9.163 -7.230 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.450 -5.829 -5.004 1.00 0.00 H new ATOM 311 N ALA A 172 -7.512 -5.134 -2.945 1.00 0.00 N ATOM 312 CA ALA A 172 -6.920 -4.024 -2.211 1.00 0.00 C ATOM 313 C ALA A 172 -5.641 -4.463 -1.520 1.00 0.00 C ATOM 314 O ALA A 172 -4.651 -3.720 -1.476 1.00 0.00 O ATOM 315 CB ALA A 172 -7.909 -3.456 -1.200 1.00 0.00 C ATOM 0 H ALA A 172 -8.434 -5.412 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.673 -3.237 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.446 -2.628 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.797 -3.099 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.192 -4.234 -0.492 1.00 0.00 H new ATOM 321 N GLN A 173 -5.638 -5.692 -1.026 1.00 0.00 N ATOM 322 CA GLN A 173 -4.481 -6.218 -0.352 1.00 0.00 C ATOM 323 C GLN A 173 -3.321 -6.413 -1.311 1.00 0.00 C ATOM 324 O GLN A 173 -2.218 -6.048 -0.988 1.00 0.00 O ATOM 325 CB GLN A 173 -4.770 -7.520 0.386 1.00 0.00 C ATOM 326 CG GLN A 173 -3.541 -8.093 1.074 1.00 0.00 C ATOM 327 CD GLN A 173 -3.804 -9.400 1.749 1.00 0.00 C ATOM 328 OE1 GLN A 173 -4.168 -9.437 2.912 1.00 0.00 O ATOM 329 NE2 GLN A 173 -3.623 -10.470 1.030 1.00 0.00 N ATOM 0 H GLN A 173 -6.427 -6.336 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.204 -5.472 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.549 -7.346 1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.161 -8.253 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -2.748 -8.224 0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.177 -7.377 1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.317 -10.387 0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -3.787 -11.391 1.436 1.00 0.00 H new ATOM 338 N LEU A 174 -3.576 -6.945 -2.507 1.00 0.00 N ATOM 339 CA LEU A 174 -2.488 -7.197 -3.458 1.00 0.00 C ATOM 340 C LEU A 174 -1.858 -5.895 -3.963 1.00 0.00 C ATOM 341 O LEU A 174 -0.736 -5.889 -4.477 1.00 0.00 O ATOM 342 CB LEU A 174 -2.925 -8.157 -4.587 1.00 0.00 C ATOM 343 CG LEU A 174 -4.144 -7.763 -5.425 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.783 -6.812 -6.557 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.869 -8.990 -5.933 1.00 0.00 C ATOM 0 H LEU A 174 -4.505 -7.206 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.692 -7.716 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.080 -8.285 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.126 -9.131 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.825 -7.218 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.681 -6.562 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.349 -5.902 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.060 -7.290 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.731 -8.684 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.194 -9.581 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.205 -9.590 -5.087 1.00 0.00 H new ATOM 357 N ARG A 175 -2.581 -4.801 -3.793 1.00 0.00 N ATOM 358 CA ARG A 175 -2.069 -3.487 -4.104 1.00 0.00 C ATOM 359 C ARG A 175 -1.048 -3.106 -3.041 1.00 0.00 C ATOM 360 O ARG A 175 0.071 -2.723 -3.343 1.00 0.00 O ATOM 361 CB ARG A 175 -3.195 -2.445 -4.117 1.00 0.00 C ATOM 362 CG ARG A 175 -4.336 -2.766 -5.057 1.00 0.00 C ATOM 363 CD ARG A 175 -3.891 -2.811 -6.497 1.00 0.00 C ATOM 364 NE ARG A 175 -4.966 -3.268 -7.373 1.00 0.00 N ATOM 365 CZ ARG A 175 -5.664 -2.500 -8.210 1.00 0.00 C ATOM 366 NH1 ARG A 175 -5.477 -1.178 -8.249 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.567 -3.054 -8.985 1.00 0.00 N ATOM 0 H ARG A 175 -3.537 -4.804 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.612 -3.508 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.591 -2.344 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.775 -1.478 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.771 -3.727 -4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -5.120 -2.017 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.562 -1.820 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.033 -3.476 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 175 -5.203 -4.260 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -4.792 -0.741 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -6.019 -0.605 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -6.728 -4.060 -8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.108 -2.478 -9.630 1.00 0.00 H new ATOM 381 N GLU A 176 -1.432 -3.274 -1.789 1.00 0.00 N ATOM 382 CA GLU A 176 -0.564 -2.945 -0.674 1.00 0.00 C ATOM 383 C GLU A 176 0.591 -3.954 -0.598 1.00 0.00 C ATOM 384 O GLU A 176 1.725 -3.594 -0.319 1.00 0.00 O ATOM 385 CB GLU A 176 -1.358 -2.946 0.641 1.00 0.00 C ATOM 386 CG GLU A 176 -0.578 -2.410 1.839 1.00 0.00 C ATOM 387 CD GLU A 176 -1.352 -2.499 3.132 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.403 -1.858 3.259 1.00 0.00 O ATOM 389 OE2 GLU A 176 -0.926 -3.227 4.045 1.00 0.00 O ATOM 0 H GLU A 176 -2.345 -3.639 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.154 -1.947 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.259 -2.347 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.681 -3.964 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 176 0.353 -2.969 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.307 -1.370 1.654 1.00 0.00 H new ATOM 396 N GLU A 177 0.285 -5.204 -0.898 1.00 0.00 N ATOM 397 CA GLU A 177 1.237 -6.303 -0.827 1.00 0.00 C ATOM 398 C GLU A 177 2.447 -6.052 -1.732 1.00 0.00 C ATOM 399 O GLU A 177 3.591 -6.325 -1.340 1.00 0.00 O ATOM 400 CB GLU A 177 0.559 -7.627 -1.193 1.00 0.00 C ATOM 401 CG GLU A 177 1.367 -8.875 -0.845 1.00 0.00 C ATOM 402 CD GLU A 177 1.531 -9.073 0.656 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.368 -8.384 1.278 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.844 -9.926 1.234 1.00 0.00 O ATOM 0 H GLU A 177 -0.645 -5.490 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 177 1.596 -6.367 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -0.403 -7.680 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 177 0.353 -7.631 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.876 -9.750 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 177 2.352 -8.805 -1.307 1.00 0.00 H new ATOM 411 N ARG A 178 2.224 -5.505 -2.932 1.00 0.00 N ATOM 412 CA ARG A 178 3.331 -5.218 -3.786 1.00 0.00 C ATOM 413 C ARG A 178 4.123 -4.030 -3.255 1.00 0.00 C ATOM 414 O ARG A 178 5.335 -4.021 -3.314 1.00 0.00 O ATOM 415 CB ARG A 178 2.912 -5.000 -5.234 1.00 0.00 C ATOM 416 CG ARG A 178 1.871 -3.927 -5.429 1.00 0.00 C ATOM 417 CD ARG A 178 2.008 -3.278 -6.773 1.00 0.00 C ATOM 418 NE ARG A 178 1.911 -4.219 -7.902 1.00 0.00 N ATOM 419 CZ ARG A 178 2.490 -4.040 -9.107 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.205 -2.944 -9.353 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.336 -4.952 -10.056 1.00 0.00 N ATOM 0 H ARG A 178 1.306 -5.266 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 178 3.977 -6.096 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.795 -4.743 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.527 -5.939 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.876 -4.360 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.970 -3.174 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 178 1.234 -2.517 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 178 2.968 -2.765 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 178 1.365 -5.069 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 178 3.317 -2.235 -8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.641 -2.814 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 178 1.780 -5.788 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.773 -4.818 -10.968 1.00 0.00 H new ATOM 435 N LEU A 179 3.432 -3.063 -2.677 1.00 0.00 N ATOM 436 CA LEU A 179 4.093 -1.879 -2.132 1.00 0.00 C ATOM 437 C LEU A 179 5.045 -2.289 -1.005 1.00 0.00 C ATOM 438 O LEU A 179 6.141 -1.730 -0.866 1.00 0.00 O ATOM 439 CB LEU A 179 3.055 -0.872 -1.623 1.00 0.00 C ATOM 440 CG LEU A 179 1.994 -0.428 -2.643 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.018 0.539 -2.009 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.634 0.186 -3.887 1.00 0.00 C ATOM 0 H LEU A 179 2.418 -3.069 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 179 4.670 -1.400 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.545 -1.308 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.581 0.013 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 179 1.446 -1.316 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.275 0.842 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.520 0.055 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.556 1.418 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.854 0.488 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.223 1.058 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.283 -0.549 -4.363 1.00 0.00 H new ATOM 454 N ARG A 180 4.624 -3.297 -0.247 1.00 0.00 N ATOM 455 CA ARG A 180 5.417 -3.878 0.833 1.00 0.00 C ATOM 456 C ARG A 180 6.666 -4.561 0.267 1.00 0.00 C ATOM 457 O ARG A 180 7.777 -4.330 0.741 1.00 0.00 O ATOM 458 CB ARG A 180 4.609 -4.940 1.595 1.00 0.00 C ATOM 459 CG ARG A 180 3.309 -4.471 2.217 1.00 0.00 C ATOM 460 CD ARG A 180 2.590 -5.645 2.855 1.00 0.00 C ATOM 461 NE ARG A 180 1.233 -5.321 3.309 1.00 0.00 N ATOM 462 CZ ARG A 180 0.252 -6.230 3.485 1.00 0.00 C ATOM 463 NH1 ARG A 180 0.440 -7.491 3.144 1.00 0.00 N ATOM 464 NH2 ARG A 180 -0.927 -5.850 3.951 1.00 0.00 N ATOM 0 H ARG A 180 3.712 -3.739 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 180 5.695 -3.067 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.386 -5.758 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.239 -5.349 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.509 -3.705 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.675 -4.015 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 180 2.539 -6.464 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 180 3.174 -6.001 3.704 1.00 0.00 H new ATOM 0 HE ARG A 180 1.017 -4.343 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.332 -7.784 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -0.306 -8.173 3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -1.094 -4.870 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -1.669 -6.538 4.084 1.00 0.00 H new ATOM 478 N GLN A 181 6.471 -5.385 -0.772 1.00 0.00 N ATOM 479 CA GLN A 181 7.565 -6.170 -1.353 1.00 0.00 C ATOM 480 C GLN A 181 8.597 -5.255 -2.014 1.00 0.00 C ATOM 481 O GLN A 181 9.803 -5.527 -1.985 1.00 0.00 O ATOM 482 CB GLN A 181 7.029 -7.266 -2.321 1.00 0.00 C ATOM 483 CG GLN A 181 6.472 -6.766 -3.647 1.00 0.00 C ATOM 484 CD GLN A 181 7.362 -7.080 -4.820 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.284 -6.332 -5.134 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.064 -8.146 -5.505 1.00 0.00 N ATOM 0 H GLN A 181 5.568 -5.524 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 181 8.075 -6.697 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.838 -7.966 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.247 -7.826 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.492 -7.212 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.326 -5.687 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.290 -8.742 -5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.604 -8.386 -6.336 1.00 0.00 H new ATOM 495 N TYR A 182 8.129 -4.172 -2.597 1.00 0.00 N ATOM 496 CA TYR A 182 8.994 -3.193 -3.166 1.00 0.00 C ATOM 497 C TYR A 182 9.785 -2.493 -2.089 1.00 0.00 C ATOM 498 O TYR A 182 10.991 -2.344 -2.210 1.00 0.00 O ATOM 499 CB TYR A 182 8.218 -2.179 -3.973 1.00 0.00 C ATOM 500 CG TYR A 182 7.739 -2.661 -5.318 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.628 -3.184 -6.247 1.00 0.00 C ATOM 502 CD2 TYR A 182 6.405 -2.589 -5.662 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.190 -3.621 -7.474 1.00 0.00 C ATOM 504 CE2 TYR A 182 5.962 -3.021 -6.885 1.00 0.00 C ATOM 505 CZ TYR A 182 6.852 -3.537 -7.784 1.00 0.00 C ATOM 506 OH TYR A 182 6.401 -3.957 -9.011 1.00 0.00 O ATOM 0 H TYR A 182 7.136 -3.957 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 182 9.682 -3.710 -3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.354 -1.859 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 182 8.845 -1.300 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 182 9.678 -3.248 -6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 182 5.696 -2.185 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 182 8.890 -4.027 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR A 182 4.914 -2.954 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 182 5.477 -4.272 -8.930 1.00 0.00 H new ATOM 516 N ALA A 183 9.107 -2.122 -1.014 1.00 0.00 N ATOM 517 CA ALA A 183 9.721 -1.415 0.104 1.00 0.00 C ATOM 518 C ALA A 183 10.869 -2.220 0.726 1.00 0.00 C ATOM 519 O ALA A 183 11.819 -1.650 1.272 1.00 0.00 O ATOM 520 CB ALA A 183 8.671 -1.083 1.153 1.00 0.00 C ATOM 0 H ALA A 183 8.111 -2.303 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 183 10.146 -0.488 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.140 -0.555 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.901 -0.451 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.218 -2.004 1.519 1.00 0.00 H new ATOM 526 N GLU A 184 10.779 -3.529 0.641 1.00 0.00 N ATOM 527 CA GLU A 184 11.806 -4.405 1.167 1.00 0.00 C ATOM 528 C GLU A 184 13.051 -4.394 0.288 1.00 0.00 C ATOM 529 O GLU A 184 14.149 -4.091 0.754 1.00 0.00 O ATOM 530 CB GLU A 184 11.289 -5.818 1.275 1.00 0.00 C ATOM 531 CG GLU A 184 10.123 -5.983 2.215 1.00 0.00 C ATOM 532 CD GLU A 184 9.704 -7.411 2.335 1.00 0.00 C ATOM 533 OE1 GLU A 184 9.235 -7.995 1.333 1.00 0.00 O ATOM 534 OE2 GLU A 184 9.820 -7.983 3.439 1.00 0.00 O ATOM 0 H GLU A 184 9.995 -4.016 0.207 1.00 0.00 H new ATOM 0 HA GLU A 184 12.074 -4.035 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.992 -6.160 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 184 12.101 -6.465 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.393 -5.600 3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.283 -5.386 1.860 1.00 0.00 H new ATOM 541 N LYS A 185 12.864 -4.734 -0.971 1.00 0.00 N ATOM 542 CA LYS A 185 13.969 -4.845 -1.927 1.00 0.00 C ATOM 543 C LYS A 185 14.582 -3.492 -2.314 1.00 0.00 C ATOM 544 O LYS A 185 15.797 -3.376 -2.430 1.00 0.00 O ATOM 545 CB LYS A 185 13.553 -5.641 -3.173 1.00 0.00 C ATOM 546 CG LYS A 185 12.341 -5.086 -3.910 1.00 0.00 C ATOM 547 CD LYS A 185 12.012 -5.883 -5.168 1.00 0.00 C ATOM 548 CE LYS A 185 11.688 -7.342 -4.868 1.00 0.00 C ATOM 549 NZ LYS A 185 10.500 -7.493 -4.006 1.00 0.00 N ATOM 0 H LYS A 185 11.948 -4.942 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 185 14.755 -5.396 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.396 -5.675 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.341 -6.668 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 185 11.479 -5.092 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 185 12.528 -4.047 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.163 -5.423 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.857 -5.836 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 185 11.523 -7.874 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 185 12.546 -7.809 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 10.101 -8.446 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 10.773 -7.357 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 9.787 -6.783 -4.270 1.00 0.00 H new ATOM 563 N LYS A 186 13.754 -2.469 -2.452 1.00 0.00 N ATOM 564 CA LYS A 186 14.208 -1.132 -2.879 1.00 0.00 C ATOM 565 C LYS A 186 14.699 -0.300 -1.691 1.00 0.00 C ATOM 566 O LYS A 186 14.690 0.933 -1.720 1.00 0.00 O ATOM 567 CB LYS A 186 13.081 -0.406 -3.628 1.00 0.00 C ATOM 568 CG LYS A 186 12.688 -1.089 -4.936 1.00 0.00 C ATOM 569 CD LYS A 186 11.508 -0.419 -5.676 1.00 0.00 C ATOM 570 CE LYS A 186 11.818 0.987 -6.238 1.00 0.00 C ATOM 571 NZ LYS A 186 11.866 2.060 -5.214 1.00 0.00 N ATOM 0 H LYS A 186 12.751 -2.529 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 186 15.053 -1.261 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.206 -0.344 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.394 0.616 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.554 -1.105 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 186 12.428 -2.126 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 186 11.198 -1.064 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 186 10.662 -0.345 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 186 12.776 0.954 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 186 11.062 1.243 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 11.327 2.884 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 11.450 1.712 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 12.855 2.337 -5.047 1.00 0.00 H new ATOM 585 N ALA A 187 15.142 -0.998 -0.678 1.00 0.00 N ATOM 586 CA ALA A 187 15.684 -0.448 0.542 1.00 0.00 C ATOM 587 C ALA A 187 16.209 -1.626 1.338 1.00 0.00 C ATOM 588 O ALA A 187 15.893 -1.806 2.522 1.00 0.00 O ATOM 589 CB ALA A 187 14.598 0.293 1.325 1.00 0.00 C ATOM 0 H ALA A 187 15.135 -2.018 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 187 16.475 0.273 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.024 0.701 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.201 1.106 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.794 -0.399 1.576 1.00 0.00 H new ATOM 595 N LYS A 188 16.999 -2.440 0.668 1.00 0.00 N ATOM 596 CA LYS A 188 17.495 -3.674 1.233 1.00 0.00 C ATOM 597 C LYS A 188 18.631 -3.415 2.217 1.00 0.00 C ATOM 598 O LYS A 188 19.809 -3.339 1.842 1.00 0.00 O ATOM 599 CB LYS A 188 17.921 -4.654 0.137 1.00 0.00 C ATOM 600 CG LYS A 188 18.351 -6.017 0.663 1.00 0.00 C ATOM 601 CD LYS A 188 18.807 -6.948 -0.448 1.00 0.00 C ATOM 602 CE LYS A 188 19.995 -6.381 -1.213 1.00 0.00 C ATOM 603 NZ LYS A 188 20.527 -7.346 -2.186 1.00 0.00 N ATOM 0 H LYS A 188 17.315 -2.262 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 188 16.678 -4.135 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 188 17.093 -4.788 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.744 -4.217 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 188 19.161 -5.888 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 188 17.520 -6.475 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 188 19.077 -7.915 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 188 17.981 -7.122 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 188 19.693 -5.471 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 188 20.780 -6.102 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.335 -6.924 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 20.838 -8.205 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.785 -7.593 -2.871 1.00 0.00 H new ATOM 617 N LYS A 189 18.251 -3.231 3.441 1.00 0.00 N ATOM 618 CA LYS A 189 19.144 -2.960 4.521 1.00 0.00 C ATOM 619 C LYS A 189 18.420 -3.269 5.819 1.00 0.00 C ATOM 620 O LYS A 189 17.376 -2.680 6.092 1.00 0.00 O ATOM 621 CB LYS A 189 19.567 -1.484 4.473 1.00 0.00 C ATOM 622 CG LYS A 189 20.409 -1.017 5.642 1.00 0.00 C ATOM 623 CD LYS A 189 20.793 0.430 5.460 1.00 0.00 C ATOM 624 CE LYS A 189 21.485 0.979 6.683 1.00 0.00 C ATOM 625 NZ LYS A 189 21.841 2.397 6.513 1.00 0.00 N ATOM 0 H LYS A 189 17.272 -3.267 3.726 1.00 0.00 H new ATOM 0 HA LYS A 189 20.041 -3.575 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.125 -1.312 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 189 18.670 -0.867 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 189 19.854 -1.140 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 189 21.306 -1.632 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 189 21.450 0.527 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.901 1.020 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.834 0.868 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 189 22.386 0.399 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 22.315 2.741 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.481 2.499 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 20.979 2.954 6.346 1.00 0.00 H new ATOM 639 N PRO A 190 18.900 -4.241 6.597 1.00 0.00 N ATOM 640 CA PRO A 190 18.284 -4.572 7.859 1.00 0.00 C ATOM 641 C PRO A 190 18.604 -3.530 8.946 1.00 0.00 C ATOM 642 O PRO A 190 17.892 -2.520 9.075 1.00 0.00 O ATOM 643 CB PRO A 190 18.845 -5.963 8.204 1.00 0.00 C ATOM 644 CG PRO A 190 20.129 -6.080 7.437 1.00 0.00 C ATOM 645 CD PRO A 190 20.058 -5.106 6.285 1.00 0.00 C ATOM 0 HA PRO A 190 17.196 -4.575 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 190 19.018 -6.061 9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 190 18.146 -6.749 7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 190 20.981 -5.854 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 190 20.266 -7.098 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 190 20.976 -4.524 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 190 19.921 -5.624 5.336 1.00 0.00 H new ATOM 653 N ALA A 191 19.702 -3.754 9.656 1.00 0.00 N ATOM 654 CA ALA A 191 20.197 -2.893 10.708 1.00 0.00 C ATOM 655 C ALA A 191 21.446 -3.527 11.270 1.00 0.00 C ATOM 656 O ALA A 191 21.376 -4.394 12.136 1.00 0.00 O ATOM 657 CB ALA A 191 19.172 -2.695 11.824 1.00 0.00 C ATOM 0 H ALA A 191 20.291 -4.573 9.505 1.00 0.00 H new ATOM 0 HA ALA A 191 20.403 -1.908 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 191 19.590 -2.042 12.590 1.00 0.00 H new ATOM 0 HB2 ALA A 191 18.270 -2.242 11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 191 18.924 -3.660 12.266 1.00 0.00 H new ATOM 663 N LEU A 192 22.557 -3.194 10.699 1.00 0.00 N ATOM 664 CA LEU A 192 23.827 -3.687 11.157 1.00 0.00 C ATOM 665 C LEU A 192 24.733 -2.509 11.359 1.00 0.00 C ATOM 666 O LEU A 192 25.411 -2.093 10.391 1.00 0.00 O ATOM 667 CB LEU A 192 24.445 -4.683 10.151 1.00 0.00 C ATOM 668 CG LEU A 192 23.687 -5.997 9.922 1.00 0.00 C ATOM 669 CD1 LEU A 192 24.377 -6.826 8.855 1.00 0.00 C ATOM 670 CD2 LEU A 192 23.596 -6.790 11.216 1.00 0.00 C ATOM 671 OXT LEU A 192 24.730 -1.936 12.454 1.00 0.00 O ATOM 0 H LEU A 192 22.616 -2.568 9.896 1.00 0.00 H new ATOM 0 HA LEU A 192 23.692 -4.229 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 192 24.545 -4.177 9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 192 25.452 -4.927 10.490 1.00 0.00 H new ATOM 0 HG LEU A 192 22.679 -5.757 9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 192 23.827 -7.755 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 192 24.406 -6.265 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 192 25.394 -7.054 9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 192 23.055 -7.719 11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 192 24.600 -7.018 11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 192 23.067 -6.202 11.967 1.00 0.00 H new TER 683 LEU A 192