USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 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 : amide:sc= 1.06 K(o=1.1,f=-0.0088) USER MOD Single : A 169 LYS NZ :NH3+ 173:sc= 2.34 (180deg=2) USER MOD Single : A 173 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 181 GLN : amide:sc= -0.389 K(o=-0.39,f=-6.2!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 167:sc= -0.0286 (180deg=-0.24) USER MOD Single : A 189 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.641) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -13.650 14.391 -14.519 1.00 0.00 N ATOM 2 CA GLY A 149 -13.010 13.655 -13.444 1.00 0.00 C ATOM 3 C GLY A 149 -13.794 12.415 -13.139 1.00 0.00 C ATOM 4 O GLY A 149 -15.000 12.382 -13.410 1.00 0.00 O ATOM 0 HA2 GLY A 149 -11.991 13.391 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -12.941 14.280 -12.554 1.00 0.00 H new ATOM 10 N PRO A 150 -13.158 11.360 -12.601 1.00 0.00 N ATOM 11 CA PRO A 150 -13.843 10.121 -12.277 1.00 0.00 C ATOM 12 C PRO A 150 -14.833 10.298 -11.122 1.00 0.00 C ATOM 13 O PRO A 150 -14.452 10.355 -9.951 1.00 0.00 O ATOM 14 CB PRO A 150 -12.715 9.153 -11.897 1.00 0.00 C ATOM 15 CG PRO A 150 -11.593 10.032 -11.466 1.00 0.00 C ATOM 16 CD PRO A 150 -11.716 11.296 -12.268 1.00 0.00 C ATOM 0 HA PRO A 150 -14.444 9.759 -13.112 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -13.023 8.481 -11.095 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -12.427 8.529 -12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -11.652 10.242 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -10.631 9.551 -11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -11.398 12.167 -11.695 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -11.099 11.263 -13.166 1.00 0.00 H new ATOM 24 N GLY A 151 -16.074 10.466 -11.468 1.00 0.00 N ATOM 25 CA GLY A 151 -17.106 10.595 -10.488 1.00 0.00 C ATOM 26 C GLY A 151 -17.862 9.319 -10.389 1.00 0.00 C ATOM 27 O GLY A 151 -17.820 8.638 -9.373 1.00 0.00 O ATOM 0 H GLY A 151 -16.397 10.517 -12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -16.673 10.849 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -17.779 11.408 -10.759 1.00 0.00 H new ATOM 31 N SER A 152 -18.478 8.934 -11.483 1.00 0.00 N ATOM 32 CA SER A 152 -19.263 7.719 -11.532 1.00 0.00 C ATOM 33 C SER A 152 -18.346 6.502 -11.401 1.00 0.00 C ATOM 34 O SER A 152 -18.695 5.505 -10.781 1.00 0.00 O ATOM 35 CB SER A 152 -20.030 7.670 -12.844 1.00 0.00 C ATOM 36 OG SER A 152 -20.692 8.908 -13.090 1.00 0.00 O ATOM 0 H SER A 152 -18.450 9.451 -12.362 1.00 0.00 H new ATOM 0 HA SER A 152 -19.973 7.706 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 152 -19.345 7.450 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 152 -20.761 6.862 -12.813 1.00 0.00 H new ATOM 0 HG SER A 152 -21.178 8.856 -13.939 1.00 0.00 H new ATOM 42 N GLU A 153 -17.150 6.629 -11.931 1.00 0.00 N ATOM 43 CA GLU A 153 -16.158 5.559 -11.892 1.00 0.00 C ATOM 44 C GLU A 153 -15.617 5.358 -10.479 1.00 0.00 C ATOM 45 O GLU A 153 -15.029 4.330 -10.170 1.00 0.00 O ATOM 46 CB GLU A 153 -15.023 5.905 -12.822 1.00 0.00 C ATOM 47 CG GLU A 153 -15.448 6.049 -14.256 1.00 0.00 C ATOM 48 CD GLU A 153 -14.419 6.759 -15.065 1.00 0.00 C ATOM 49 OE1 GLU A 153 -13.510 6.099 -15.616 1.00 0.00 O ATOM 50 OE2 GLU A 153 -14.496 8.003 -15.170 1.00 0.00 O ATOM 0 H GLU A 153 -16.830 7.475 -12.403 1.00 0.00 H new ATOM 0 HA GLU A 153 -16.636 4.631 -12.207 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -14.564 6.837 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -14.258 5.131 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -15.630 5.063 -14.683 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -16.390 6.596 -14.304 1.00 0.00 H new ATOM 57 N ASP A 154 -15.836 6.334 -9.642 1.00 0.00 N ATOM 58 CA ASP A 154 -15.341 6.303 -8.277 1.00 0.00 C ATOM 59 C ASP A 154 -16.468 5.962 -7.324 1.00 0.00 C ATOM 60 O ASP A 154 -16.333 5.121 -6.442 1.00 0.00 O ATOM 61 CB ASP A 154 -14.734 7.669 -7.921 1.00 0.00 C ATOM 62 CG ASP A 154 -14.290 7.788 -6.474 1.00 0.00 C ATOM 63 OD1 ASP A 154 -13.115 7.490 -6.167 1.00 0.00 O ATOM 64 OD2 ASP A 154 -15.102 8.230 -5.628 1.00 0.00 O ATOM 0 H ASP A 154 -16.361 7.176 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 154 -14.570 5.537 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -13.878 7.855 -8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -15.468 8.447 -8.131 1.00 0.00 H new ATOM 69 N ASP A 155 -17.589 6.606 -7.530 1.00 0.00 N ATOM 70 CA ASP A 155 -18.745 6.458 -6.664 1.00 0.00 C ATOM 71 C ASP A 155 -19.599 5.231 -6.989 1.00 0.00 C ATOM 72 O ASP A 155 -19.927 4.450 -6.098 1.00 0.00 O ATOM 73 CB ASP A 155 -19.594 7.721 -6.718 1.00 0.00 C ATOM 74 CG ASP A 155 -20.828 7.633 -5.863 1.00 0.00 C ATOM 75 OD1 ASP A 155 -20.756 7.929 -4.648 1.00 0.00 O ATOM 76 OD2 ASP A 155 -21.903 7.297 -6.386 1.00 0.00 O ATOM 0 H ASP A 155 -17.732 7.253 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 155 -18.363 6.303 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -18.993 8.571 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -19.886 7.913 -7.750 1.00 0.00 H new ATOM 81 N ASP A 156 -19.941 5.053 -8.245 1.00 0.00 N ATOM 82 CA ASP A 156 -20.837 3.953 -8.648 1.00 0.00 C ATOM 83 C ASP A 156 -20.103 2.649 -8.716 1.00 0.00 C ATOM 84 O ASP A 156 -20.601 1.601 -8.276 1.00 0.00 O ATOM 85 CB ASP A 156 -21.490 4.236 -10.001 1.00 0.00 C ATOM 86 CG ASP A 156 -22.435 3.127 -10.446 1.00 0.00 C ATOM 87 OD1 ASP A 156 -23.569 3.046 -9.928 1.00 0.00 O ATOM 88 OD2 ASP A 156 -22.086 2.347 -11.342 1.00 0.00 O ATOM 0 H ASP A 156 -19.623 5.644 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 156 -21.614 3.883 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -22.041 5.175 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -20.713 4.368 -10.754 1.00 0.00 H new ATOM 93 N ILE A 157 -18.932 2.713 -9.253 1.00 0.00 N ATOM 94 CA ILE A 157 -18.111 1.546 -9.436 1.00 0.00 C ATOM 95 C ILE A 157 -17.521 1.118 -8.104 1.00 0.00 C ATOM 96 O ILE A 157 -17.006 1.953 -7.341 1.00 0.00 O ATOM 97 CB ILE A 157 -16.978 1.795 -10.476 1.00 0.00 C ATOM 98 CG1 ILE A 157 -17.562 2.247 -11.833 1.00 0.00 C ATOM 99 CG2 ILE A 157 -16.090 0.560 -10.658 1.00 0.00 C ATOM 100 CD1 ILE A 157 -18.514 1.259 -12.476 1.00 0.00 C ATOM 0 H ILE A 157 -18.507 3.579 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 157 -18.742 0.748 -9.826 1.00 0.00 H new ATOM 0 HB ILE A 157 -16.352 2.597 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -18.084 3.193 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -16.739 2.438 -12.522 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -15.313 0.776 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -15.628 0.300 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -16.696 -0.276 -11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -18.872 1.663 -13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -17.995 0.318 -12.656 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -19.361 1.085 -11.812 1.00 0.00 H new ATOM 112 N ASP A 158 -17.652 -0.156 -7.811 1.00 0.00 N ATOM 113 CA ASP A 158 -17.106 -0.731 -6.602 1.00 0.00 C ATOM 114 C ASP A 158 -15.594 -0.696 -6.635 1.00 0.00 C ATOM 115 O ASP A 158 -14.957 -1.027 -7.648 1.00 0.00 O ATOM 116 CB ASP A 158 -17.651 -2.150 -6.310 1.00 0.00 C ATOM 117 CG ASP A 158 -17.578 -3.105 -7.480 1.00 0.00 C ATOM 118 OD1 ASP A 158 -16.514 -3.678 -7.760 1.00 0.00 O ATOM 119 OD2 ASP A 158 -18.623 -3.325 -8.138 1.00 0.00 O ATOM 0 H ASP A 158 -18.141 -0.825 -8.406 1.00 0.00 H new ATOM 0 HA ASP A 158 -17.442 -0.114 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -17.093 -2.575 -5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -18.690 -2.067 -5.990 1.00 0.00 H new ATOM 124 N LEU A 159 -15.032 -0.254 -5.551 1.00 0.00 N ATOM 125 CA LEU A 159 -13.609 -0.032 -5.465 1.00 0.00 C ATOM 126 C LEU A 159 -12.888 -1.238 -4.902 1.00 0.00 C ATOM 127 O LEU A 159 -11.772 -1.546 -5.310 1.00 0.00 O ATOM 128 CB LEU A 159 -13.325 1.209 -4.609 1.00 0.00 C ATOM 129 CG LEU A 159 -13.963 2.523 -5.094 1.00 0.00 C ATOM 130 CD1 LEU A 159 -13.672 3.651 -4.123 1.00 0.00 C ATOM 131 CD2 LEU A 159 -13.473 2.885 -6.492 1.00 0.00 C ATOM 0 H LEU A 159 -15.543 -0.035 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 159 -13.232 0.132 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -13.671 1.013 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -12.245 1.350 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 159 -15.042 2.375 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -14.132 4.570 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -14.080 3.402 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -12.594 3.792 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -13.939 3.817 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -12.390 3.007 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -13.739 2.090 -7.188 1.00 0.00 H new ATOM 143 N PHE A 160 -13.515 -1.912 -3.970 1.00 0.00 N ATOM 144 CA PHE A 160 -12.916 -3.078 -3.341 1.00 0.00 C ATOM 145 C PHE A 160 -13.382 -4.349 -4.016 1.00 0.00 C ATOM 146 O PHE A 160 -12.822 -5.431 -3.802 1.00 0.00 O ATOM 147 CB PHE A 160 -13.241 -3.123 -1.848 1.00 0.00 C ATOM 148 CG PHE A 160 -12.720 -1.941 -1.074 1.00 0.00 C ATOM 149 CD1 PHE A 160 -11.377 -1.847 -0.755 1.00 0.00 C ATOM 150 CD2 PHE A 160 -13.572 -0.925 -0.673 1.00 0.00 C ATOM 151 CE1 PHE A 160 -10.889 -0.766 -0.050 1.00 0.00 C ATOM 152 CE2 PHE A 160 -13.091 0.162 0.033 1.00 0.00 C ATOM 153 CZ PHE A 160 -11.748 0.241 0.345 1.00 0.00 C ATOM 0 H PHE A 160 -14.445 -1.677 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.835 -2.999 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -14.322 -3.178 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -12.824 -4.036 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.701 -2.631 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -14.623 -0.983 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -9.838 -0.707 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -13.765 0.948 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 160 -11.370 1.089 0.897 1.00 0.00 H new ATOM 163 N GLY A 161 -14.397 -4.225 -4.814 1.00 0.00 N ATOM 164 CA GLY A 161 -14.908 -5.351 -5.520 1.00 0.00 C ATOM 165 C GLY A 161 -16.153 -5.888 -4.878 1.00 0.00 C ATOM 166 O GLY A 161 -16.814 -5.188 -4.101 1.00 0.00 O ATOM 0 H GLY A 161 -14.888 -3.349 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -15.123 -5.068 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -14.150 -6.133 -5.555 1.00 0.00 H new ATOM 170 N SER A 162 -16.459 -7.118 -5.165 1.00 0.00 N ATOM 171 CA SER A 162 -17.645 -7.737 -4.659 1.00 0.00 C ATOM 172 C SER A 162 -17.391 -8.338 -3.286 1.00 0.00 C ATOM 173 O SER A 162 -18.198 -8.186 -2.361 1.00 0.00 O ATOM 174 CB SER A 162 -18.075 -8.825 -5.623 1.00 0.00 C ATOM 175 OG SER A 162 -18.080 -8.326 -6.951 1.00 0.00 O ATOM 0 H SER A 162 -15.890 -7.722 -5.759 1.00 0.00 H new ATOM 0 HA SER A 162 -18.430 -6.987 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 162 -17.398 -9.676 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 162 -19.069 -9.185 -5.358 1.00 0.00 H new ATOM 0 HG SER A 162 -18.357 -9.036 -7.566 1.00 0.00 H new ATOM 181 N ASP A 163 -16.254 -8.969 -3.144 1.00 0.00 N ATOM 182 CA ASP A 163 -15.928 -9.678 -1.921 1.00 0.00 C ATOM 183 C ASP A 163 -14.584 -9.238 -1.405 1.00 0.00 C ATOM 184 O ASP A 163 -14.450 -8.876 -0.240 1.00 0.00 O ATOM 185 CB ASP A 163 -15.854 -11.166 -2.190 1.00 0.00 C ATOM 186 CG ASP A 163 -15.543 -11.973 -0.970 1.00 0.00 C ATOM 187 OD1 ASP A 163 -16.410 -12.088 -0.078 1.00 0.00 O ATOM 188 OD2 ASP A 163 -14.428 -12.487 -0.875 1.00 0.00 O ATOM 0 H ASP A 163 -15.530 -9.010 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 163 -16.704 -9.460 -1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.804 -11.501 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -15.091 -11.354 -2.946 1.00 0.00 H new ATOM 193 N ASN A 164 -13.589 -9.310 -2.300 1.00 0.00 N ATOM 194 CA ASN A 164 -12.178 -8.939 -2.063 1.00 0.00 C ATOM 195 C ASN A 164 -11.368 -10.102 -1.529 1.00 0.00 C ATOM 196 O ASN A 164 -10.184 -10.214 -1.812 1.00 0.00 O ATOM 197 CB ASN A 164 -11.993 -7.670 -1.192 1.00 0.00 C ATOM 198 CG ASN A 164 -10.539 -7.226 -1.048 1.00 0.00 C ATOM 199 OD1 ASN A 164 -10.056 -6.389 -1.808 1.00 0.00 O ATOM 200 ND2 ASN A 164 -9.830 -7.786 -0.105 1.00 0.00 N ATOM 0 H ASN A 164 -13.747 -9.642 -3.251 1.00 0.00 H new ATOM 0 HA ASN A 164 -11.786 -8.678 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -12.570 -6.855 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -12.405 -7.858 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -8.850 -7.532 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -10.257 -8.478 0.511 1.00 0.00 H new ATOM 207 N GLU A 165 -11.997 -11.001 -0.817 1.00 0.00 N ATOM 208 CA GLU A 165 -11.268 -12.102 -0.229 1.00 0.00 C ATOM 209 C GLU A 165 -11.103 -13.192 -1.243 1.00 0.00 C ATOM 210 O GLU A 165 -10.200 -14.014 -1.158 1.00 0.00 O ATOM 211 CB GLU A 165 -11.903 -12.593 1.064 1.00 0.00 C ATOM 212 CG GLU A 165 -12.003 -11.514 2.123 1.00 0.00 C ATOM 213 CD GLU A 165 -10.683 -10.818 2.361 1.00 0.00 C ATOM 214 OE1 GLU A 165 -9.866 -11.317 3.138 1.00 0.00 O ATOM 215 OE2 GLU A 165 -10.448 -9.732 1.768 1.00 0.00 O ATOM 0 H GLU A 165 -13.000 -10.997 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.277 -11.749 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.900 -12.977 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -11.319 -13.425 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.749 -10.779 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.351 -11.956 3.057 1.00 0.00 H new ATOM 222 N GLU A 166 -11.975 -13.179 -2.229 1.00 0.00 N ATOM 223 CA GLU A 166 -11.829 -14.039 -3.366 1.00 0.00 C ATOM 224 C GLU A 166 -10.645 -13.574 -4.217 1.00 0.00 C ATOM 225 O GLU A 166 -10.019 -14.346 -4.938 1.00 0.00 O ATOM 226 CB GLU A 166 -13.147 -14.171 -4.159 1.00 0.00 C ATOM 227 CG GLU A 166 -13.895 -12.891 -4.467 1.00 0.00 C ATOM 228 CD GLU A 166 -13.166 -11.850 -5.259 1.00 0.00 C ATOM 229 OE1 GLU A 166 -13.023 -11.993 -6.501 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.776 -10.831 -4.658 1.00 0.00 O ATOM 0 H GLU A 166 -12.796 -12.574 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.604 -15.050 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -12.926 -14.670 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -13.814 -14.827 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.805 -13.152 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -14.203 -12.443 -3.522 1.00 0.00 H new ATOM 237 N GLU A 167 -10.330 -12.304 -4.062 1.00 0.00 N ATOM 238 CA GLU A 167 -9.233 -11.657 -4.730 1.00 0.00 C ATOM 239 C GLU A 167 -7.908 -11.897 -3.958 1.00 0.00 C ATOM 240 O GLU A 167 -6.860 -11.324 -4.299 1.00 0.00 O ATOM 241 CB GLU A 167 -9.510 -10.169 -4.832 1.00 0.00 C ATOM 242 CG GLU A 167 -8.720 -9.507 -5.930 1.00 0.00 C ATOM 243 CD GLU A 167 -9.265 -9.823 -7.301 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.164 -9.124 -7.783 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.799 -10.772 -7.933 1.00 0.00 O ATOM 0 H GLU A 167 -10.851 -11.679 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.130 -12.078 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.574 -10.013 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.272 -9.693 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.727 -8.428 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.681 -9.830 -5.872 1.00 0.00 H new ATOM 252 N ASP A 168 -7.954 -12.775 -2.933 1.00 0.00 N ATOM 253 CA ASP A 168 -6.746 -13.172 -2.136 1.00 0.00 C ATOM 254 C ASP A 168 -5.632 -13.665 -3.048 1.00 0.00 C ATOM 255 O ASP A 168 -4.459 -13.560 -2.718 1.00 0.00 O ATOM 256 CB ASP A 168 -7.082 -14.223 -1.057 1.00 0.00 C ATOM 257 CG ASP A 168 -5.857 -14.778 -0.317 1.00 0.00 C ATOM 258 OD1 ASP A 168 -5.316 -14.104 0.594 1.00 0.00 O ATOM 259 OD2 ASP A 168 -5.433 -15.926 -0.613 1.00 0.00 O ATOM 0 H ASP A 168 -8.814 -13.231 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.396 -12.280 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -7.761 -13.777 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -7.615 -15.050 -1.525 1.00 0.00 H new ATOM 264 N LYS A 169 -6.030 -14.187 -4.205 1.00 0.00 N ATOM 265 CA LYS A 169 -5.118 -14.517 -5.301 1.00 0.00 C ATOM 266 C LYS A 169 -4.120 -13.370 -5.533 1.00 0.00 C ATOM 267 O LYS A 169 -2.926 -13.570 -5.471 1.00 0.00 O ATOM 268 CB LYS A 169 -5.918 -14.774 -6.596 1.00 0.00 C ATOM 269 CG LYS A 169 -7.141 -13.876 -6.692 1.00 0.00 C ATOM 270 CD LYS A 169 -7.551 -13.495 -8.086 1.00 0.00 C ATOM 271 CE LYS A 169 -6.479 -12.700 -8.793 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.074 -11.820 -9.812 1.00 0.00 N ATOM 0 H LYS A 169 -7.007 -14.396 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.567 -15.418 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.275 -14.606 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.230 -15.818 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.979 -14.379 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.947 -12.965 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.771 -14.396 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.470 -12.910 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.924 -12.104 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.766 -13.378 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.339 -11.197 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.482 -12.398 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -7.822 -11.242 -9.378 1.00 0.00 H new ATOM 286 N GLU A 170 -4.618 -12.149 -5.720 1.00 0.00 N ATOM 287 CA GLU A 170 -3.742 -11.036 -5.939 1.00 0.00 C ATOM 288 C GLU A 170 -3.270 -10.412 -4.696 1.00 0.00 C ATOM 289 O GLU A 170 -2.239 -9.780 -4.709 1.00 0.00 O ATOM 290 CB GLU A 170 -4.232 -10.033 -6.954 1.00 0.00 C ATOM 291 CG GLU A 170 -3.680 -10.360 -8.308 1.00 0.00 C ATOM 292 CD GLU A 170 -4.202 -9.508 -9.424 1.00 0.00 C ATOM 293 OE1 GLU A 170 -5.303 -9.791 -9.936 1.00 0.00 O ATOM 294 OE2 GLU A 170 -3.508 -8.552 -9.826 1.00 0.00 O ATOM 0 H GLU A 170 -5.613 -11.923 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.864 -11.483 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.322 -10.039 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.927 -9.028 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.595 -10.265 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.902 -11.403 -8.533 1.00 0.00 H new ATOM 301 N ALA A 171 -3.990 -10.605 -3.615 1.00 0.00 N ATOM 302 CA ALA A 171 -3.504 -10.150 -2.337 1.00 0.00 C ATOM 303 C ALA A 171 -2.171 -10.831 -2.069 1.00 0.00 C ATOM 304 O ALA A 171 -1.234 -10.203 -1.675 1.00 0.00 O ATOM 305 CB ALA A 171 -4.489 -10.450 -1.233 1.00 0.00 C ATOM 0 H ALA A 171 -4.899 -11.066 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.377 -9.068 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.091 -10.093 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.434 -9.948 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.655 -11.526 -1.176 1.00 0.00 H new ATOM 311 N ALA A 172 -2.109 -12.113 -2.390 1.00 0.00 N ATOM 312 CA ALA A 172 -0.915 -12.900 -2.270 1.00 0.00 C ATOM 313 C ALA A 172 0.070 -12.579 -3.379 1.00 0.00 C ATOM 314 O ALA A 172 1.195 -12.242 -3.084 1.00 0.00 O ATOM 315 CB ALA A 172 -1.244 -14.381 -2.267 1.00 0.00 C ATOM 0 H ALA A 172 -2.908 -12.636 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.447 -12.647 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.324 -14.958 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -1.899 -14.606 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -1.746 -14.644 -3.198 1.00 0.00 H new ATOM 321 N GLN A 173 -0.366 -12.672 -4.659 1.00 0.00 N ATOM 322 CA GLN A 173 0.515 -12.422 -5.808 1.00 0.00 C ATOM 323 C GLN A 173 1.188 -11.073 -5.744 1.00 0.00 C ATOM 324 O GLN A 173 2.403 -10.996 -5.695 1.00 0.00 O ATOM 325 CB GLN A 173 -0.224 -12.518 -7.116 1.00 0.00 C ATOM 326 CG GLN A 173 -0.704 -13.901 -7.490 1.00 0.00 C ATOM 327 CD GLN A 173 -1.278 -13.941 -8.884 1.00 0.00 C ATOM 328 OE1 GLN A 173 -1.734 -12.814 -9.361 1.00 0.00 O flip ATOM 329 NE2 GLN A 173 -1.259 -14.970 -9.558 1.00 0.00 N flip ATOM 0 H GLN A 173 -1.323 -12.918 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 173 1.276 -13.201 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.085 -11.851 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.427 -12.151 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 173 0.126 -14.604 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.461 -14.228 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.897 -15.835 -9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -1.606 -14.958 -10.517 1.00 0.00 H new ATOM 338 N LEU A 174 0.391 -10.015 -5.711 1.00 0.00 N ATOM 339 CA LEU A 174 0.923 -8.648 -5.662 1.00 0.00 C ATOM 340 C LEU A 174 1.869 -8.485 -4.489 1.00 0.00 C ATOM 341 O LEU A 174 2.972 -7.970 -4.634 1.00 0.00 O ATOM 342 CB LEU A 174 -0.211 -7.648 -5.545 1.00 0.00 C ATOM 343 CG LEU A 174 -1.238 -7.686 -6.671 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.378 -6.721 -6.382 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.593 -7.350 -8.005 1.00 0.00 C ATOM 0 H LEU A 174 -0.628 -10.070 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 174 1.472 -8.462 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.727 -7.819 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.215 -6.646 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.639 -8.698 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.103 -6.760 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.865 -7.002 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.984 -5.708 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -1.346 -7.384 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -0.161 -6.350 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.192 -8.075 -8.222 1.00 0.00 H new ATOM 357 N ARG A 175 1.428 -8.947 -3.345 1.00 0.00 N ATOM 358 CA ARG A 175 2.231 -8.935 -2.130 1.00 0.00 C ATOM 359 C ARG A 175 3.572 -9.663 -2.312 1.00 0.00 C ATOM 360 O ARG A 175 4.644 -9.083 -2.061 1.00 0.00 O ATOM 361 CB ARG A 175 1.454 -9.605 -1.018 1.00 0.00 C ATOM 362 CG ARG A 175 2.219 -9.841 0.247 1.00 0.00 C ATOM 363 CD ARG A 175 1.446 -10.754 1.153 1.00 0.00 C ATOM 364 NE ARG A 175 2.173 -11.031 2.394 1.00 0.00 N ATOM 365 CZ ARG A 175 1.853 -11.978 3.278 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.736 -12.687 3.124 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.631 -12.183 4.339 1.00 0.00 N ATOM 0 H ARG A 175 0.497 -9.346 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 175 2.447 -7.895 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.582 -8.993 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.083 -10.563 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.190 -10.280 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.409 -8.892 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.483 -10.302 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.240 -11.691 0.635 1.00 0.00 H new ATOM 0 HE ARG A 175 2.989 -10.454 2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.123 -12.507 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.494 -13.410 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.469 -11.617 4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.389 -12.906 5.017 1.00 0.00 H new ATOM 381 N GLU A 176 3.512 -10.919 -2.755 1.00 0.00 N ATOM 382 CA GLU A 176 4.696 -11.731 -2.862 1.00 0.00 C ATOM 383 C GLU A 176 5.663 -11.191 -3.875 1.00 0.00 C ATOM 384 O GLU A 176 6.842 -11.203 -3.635 1.00 0.00 O ATOM 385 CB GLU A 176 4.404 -13.207 -3.133 1.00 0.00 C ATOM 386 CG GLU A 176 3.735 -13.515 -4.460 1.00 0.00 C ATOM 387 CD GLU A 176 3.887 -14.951 -4.843 1.00 0.00 C ATOM 388 OE1 GLU A 176 3.181 -15.812 -4.287 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.747 -15.260 -5.699 1.00 0.00 O ATOM 0 H GLU A 176 2.651 -11.384 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 176 5.163 -11.678 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.343 -13.759 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.770 -13.586 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.676 -13.266 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 176 4.166 -12.885 -5.238 1.00 0.00 H new ATOM 396 N GLU A 177 5.156 -10.685 -4.983 1.00 0.00 N ATOM 397 CA GLU A 177 6.004 -10.121 -6.025 1.00 0.00 C ATOM 398 C GLU A 177 6.836 -8.965 -5.486 1.00 0.00 C ATOM 399 O GLU A 177 8.023 -8.862 -5.775 1.00 0.00 O ATOM 400 CB GLU A 177 5.191 -9.686 -7.245 1.00 0.00 C ATOM 401 CG GLU A 177 4.467 -10.831 -7.931 1.00 0.00 C ATOM 402 CD GLU A 177 3.745 -10.412 -9.191 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.624 -9.872 -9.114 1.00 0.00 O ATOM 404 OE2 GLU A 177 4.291 -10.634 -10.297 1.00 0.00 O ATOM 0 H GLU A 177 4.157 -10.651 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 177 6.684 -10.908 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.461 -8.938 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.856 -9.206 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.187 -11.612 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.748 -11.266 -7.236 1.00 0.00 H new ATOM 411 N ARG A 178 6.229 -8.147 -4.642 1.00 0.00 N ATOM 412 CA ARG A 178 6.919 -6.997 -4.065 1.00 0.00 C ATOM 413 C ARG A 178 8.053 -7.447 -3.145 1.00 0.00 C ATOM 414 O ARG A 178 9.168 -6.918 -3.205 1.00 0.00 O ATOM 415 CB ARG A 178 5.946 -6.099 -3.300 1.00 0.00 C ATOM 416 CG ARG A 178 4.782 -5.602 -4.135 1.00 0.00 C ATOM 417 CD ARG A 178 3.880 -4.688 -3.334 1.00 0.00 C ATOM 418 NE ARG A 178 2.650 -4.342 -4.058 1.00 0.00 N ATOM 419 CZ ARG A 178 2.420 -3.191 -4.703 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.369 -2.266 -4.791 1.00 0.00 N ATOM 421 NH2 ARG A 178 1.231 -2.975 -5.248 1.00 0.00 N ATOM 0 H ARG A 178 5.261 -8.255 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 178 7.345 -6.422 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.557 -6.649 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.491 -5.241 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.159 -5.070 -5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.207 -6.452 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.620 -5.172 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 178 4.421 -3.775 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 178 1.906 -5.039 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 178 4.281 -2.429 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.185 -1.392 -5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 178 0.500 -3.683 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 178 1.047 -2.101 -5.741 1.00 0.00 H new ATOM 435 N LEU A 179 7.790 -8.454 -2.330 1.00 0.00 N ATOM 436 CA LEU A 179 8.800 -8.937 -1.397 1.00 0.00 C ATOM 437 C LEU A 179 9.809 -9.869 -2.084 1.00 0.00 C ATOM 438 O LEU A 179 10.955 -10.006 -1.646 1.00 0.00 O ATOM 439 CB LEU A 179 8.156 -9.544 -0.108 1.00 0.00 C ATOM 440 CG LEU A 179 7.160 -10.717 -0.250 1.00 0.00 C ATOM 441 CD1 LEU A 179 7.854 -12.036 -0.569 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.305 -10.851 1.000 1.00 0.00 C ATOM 0 H LEU A 179 6.899 -8.949 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 179 9.379 -8.079 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.967 -9.877 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.642 -8.737 0.414 1.00 0.00 H new ATOM 0 HG LEU A 179 6.514 -10.483 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.109 -12.827 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.399 -11.943 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.551 -12.283 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.611 -11.683 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 179 6.947 -11.037 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.744 -9.930 1.157 1.00 0.00 H new ATOM 454 N ARG A 180 9.390 -10.468 -3.169 1.00 0.00 N ATOM 455 CA ARG A 180 10.228 -11.359 -3.946 1.00 0.00 C ATOM 456 C ARG A 180 11.254 -10.534 -4.698 1.00 0.00 C ATOM 457 O ARG A 180 12.442 -10.836 -4.687 1.00 0.00 O ATOM 458 CB ARG A 180 9.389 -12.107 -4.948 1.00 0.00 C ATOM 459 CG ARG A 180 10.112 -13.218 -5.645 1.00 0.00 C ATOM 460 CD ARG A 180 9.461 -13.509 -6.965 1.00 0.00 C ATOM 461 NE ARG A 180 8.035 -13.822 -6.869 1.00 0.00 N ATOM 462 CZ ARG A 180 7.143 -13.483 -7.799 1.00 0.00 C ATOM 463 NH1 ARG A 180 7.528 -12.733 -8.829 1.00 0.00 N ATOM 464 NH2 ARG A 180 5.874 -13.868 -7.695 1.00 0.00 N ATOM 0 H ARG A 180 8.449 -10.353 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 180 10.718 -12.067 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.517 -12.518 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 180 9.021 -11.403 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 180 11.156 -12.943 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 180 10.106 -14.113 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 180 9.590 -12.647 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.976 -14.347 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 180 7.706 -14.327 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 180 8.497 -12.424 -8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.854 -12.468 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 180 5.575 -14.429 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.200 -13.602 -8.413 1.00 0.00 H new ATOM 478 N GLN A 181 10.781 -9.481 -5.362 1.00 0.00 N ATOM 479 CA GLN A 181 11.632 -8.549 -6.071 1.00 0.00 C ATOM 480 C GLN A 181 12.596 -7.853 -5.117 1.00 0.00 C ATOM 481 O GLN A 181 13.666 -7.407 -5.519 1.00 0.00 O ATOM 482 CB GLN A 181 10.798 -7.530 -6.856 1.00 0.00 C ATOM 483 CG GLN A 181 10.469 -7.887 -8.303 1.00 0.00 C ATOM 484 CD GLN A 181 9.651 -9.145 -8.545 1.00 0.00 C ATOM 485 OE1 GLN A 181 9.736 -10.151 -7.843 1.00 0.00 O ATOM 486 NE2 GLN A 181 8.844 -9.079 -9.534 1.00 0.00 N ATOM 0 H GLN A 181 9.788 -9.256 -5.419 1.00 0.00 H new ATOM 0 HA GLN A 181 12.225 -9.116 -6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.861 -7.373 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.330 -6.579 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.933 -7.047 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 181 11.408 -7.986 -8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 181 8.797 -8.230 -10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.247 -9.875 -9.759 1.00 0.00 H new ATOM 495 N TYR A 182 12.219 -7.770 -3.850 1.00 0.00 N ATOM 496 CA TYR A 182 13.103 -7.248 -2.828 1.00 0.00 C ATOM 497 C TYR A 182 14.331 -8.151 -2.734 1.00 0.00 C ATOM 498 O TYR A 182 15.473 -7.678 -2.713 1.00 0.00 O ATOM 499 CB TYR A 182 12.372 -7.161 -1.469 1.00 0.00 C ATOM 500 CG TYR A 182 13.248 -6.770 -0.294 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.543 -5.442 -0.029 1.00 0.00 C ATOM 502 CD2 TYR A 182 13.783 -7.739 0.549 1.00 0.00 C ATOM 503 CE1 TYR A 182 14.345 -5.092 1.041 1.00 0.00 C ATOM 504 CE2 TYR A 182 14.584 -7.397 1.615 1.00 0.00 C ATOM 505 CZ TYR A 182 14.862 -6.072 1.858 1.00 0.00 C ATOM 506 OH TYR A 182 15.675 -5.728 2.918 1.00 0.00 O ATOM 0 H TYR A 182 11.303 -8.059 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 182 13.418 -6.239 -3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 182 11.561 -6.437 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.915 -8.128 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 182 13.141 -4.670 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 182 13.565 -8.780 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.565 -4.053 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 182 14.992 -8.164 2.257 1.00 0.00 H new ATOM 0 HH TYR A 182 15.953 -6.539 3.393 1.00 0.00 H new ATOM 516 N ALA A 183 14.081 -9.443 -2.751 1.00 0.00 N ATOM 517 CA ALA A 183 15.123 -10.424 -2.663 1.00 0.00 C ATOM 518 C ALA A 183 15.899 -10.525 -3.975 1.00 0.00 C ATOM 519 O ALA A 183 17.106 -10.350 -3.986 1.00 0.00 O ATOM 520 CB ALA A 183 14.554 -11.779 -2.262 1.00 0.00 C ATOM 0 H ALA A 183 13.143 -9.836 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 183 15.821 -10.104 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.361 -12.509 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 183 14.066 -11.696 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.827 -12.103 -3.007 1.00 0.00 H new ATOM 526 N GLU A 184 15.194 -10.761 -5.073 1.00 0.00 N ATOM 527 CA GLU A 184 15.831 -10.963 -6.375 1.00 0.00 C ATOM 528 C GLU A 184 16.539 -9.724 -6.943 1.00 0.00 C ATOM 529 O GLU A 184 17.589 -9.840 -7.567 1.00 0.00 O ATOM 530 CB GLU A 184 14.862 -11.555 -7.396 1.00 0.00 C ATOM 531 CG GLU A 184 14.441 -12.975 -7.063 1.00 0.00 C ATOM 532 CD GLU A 184 13.593 -13.619 -8.130 1.00 0.00 C ATOM 533 OE1 GLU A 184 14.154 -14.090 -9.138 1.00 0.00 O ATOM 534 OE2 GLU A 184 12.364 -13.701 -7.973 1.00 0.00 O ATOM 0 H GLU A 184 14.176 -10.818 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 184 16.622 -11.687 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 184 13.975 -10.924 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 184 15.329 -11.542 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.333 -13.582 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 184 13.887 -12.970 -6.124 1.00 0.00 H new ATOM 541 N LYS A 185 15.971 -8.556 -6.767 1.00 0.00 N ATOM 542 CA LYS A 185 16.608 -7.370 -7.293 1.00 0.00 C ATOM 543 C LYS A 185 17.697 -6.838 -6.352 1.00 0.00 C ATOM 544 O LYS A 185 18.852 -6.672 -6.759 1.00 0.00 O ATOM 545 CB LYS A 185 15.576 -6.280 -7.655 1.00 0.00 C ATOM 546 CG LYS A 185 16.170 -4.996 -8.241 1.00 0.00 C ATOM 547 CD LYS A 185 16.940 -5.257 -9.525 1.00 0.00 C ATOM 548 CE LYS A 185 17.531 -3.977 -10.086 1.00 0.00 C ATOM 549 NZ LYS A 185 18.361 -4.226 -11.275 1.00 0.00 N ATOM 0 H LYS A 185 15.090 -8.400 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 185 17.106 -7.659 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.868 -6.695 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.010 -6.025 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 185 15.369 -4.283 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 185 16.833 -4.536 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 185 17.738 -5.974 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 185 16.277 -5.708 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 185 16.726 -3.289 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 185 18.133 -3.490 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 18.745 -3.325 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 19.145 -4.862 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 17.781 -4.667 -12.017 1.00 0.00 H new ATOM 563 N LYS A 186 17.329 -6.549 -5.111 1.00 0.00 N ATOM 564 CA LYS A 186 18.276 -5.949 -4.172 1.00 0.00 C ATOM 565 C LYS A 186 19.147 -6.933 -3.381 1.00 0.00 C ATOM 566 O LYS A 186 20.355 -6.768 -3.336 1.00 0.00 O ATOM 567 CB LYS A 186 17.648 -4.896 -3.231 1.00 0.00 C ATOM 568 CG LYS A 186 17.217 -3.582 -3.907 1.00 0.00 C ATOM 569 CD LYS A 186 15.871 -3.667 -4.625 1.00 0.00 C ATOM 570 CE LYS A 186 14.719 -3.779 -3.634 1.00 0.00 C ATOM 571 NZ LYS A 186 13.401 -3.734 -4.300 1.00 0.00 N ATOM 0 H LYS A 186 16.397 -6.716 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 186 18.956 -5.430 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 186 16.777 -5.339 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 186 18.365 -4.662 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.166 -2.797 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 186 17.982 -3.286 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 186 15.733 -2.783 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.866 -4.530 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.811 -4.712 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 186 14.786 -2.967 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 12.649 -3.814 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 13.300 -2.833 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.325 -4.523 -4.973 1.00 0.00 H new ATOM 585 N ALA A 187 18.557 -7.942 -2.769 1.00 0.00 N ATOM 586 CA ALA A 187 19.317 -8.814 -1.861 1.00 0.00 C ATOM 587 C ALA A 187 20.281 -9.760 -2.587 1.00 0.00 C ATOM 588 O ALA A 187 21.508 -9.714 -2.366 1.00 0.00 O ATOM 589 CB ALA A 187 18.382 -9.591 -0.943 1.00 0.00 C ATOM 0 H ALA A 187 17.572 -8.185 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 187 19.938 -8.153 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 187 18.969 -10.228 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 187 17.794 -8.893 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 187 17.713 -10.208 -1.543 1.00 0.00 H new ATOM 595 N LYS A 188 19.747 -10.591 -3.438 1.00 0.00 N ATOM 596 CA LYS A 188 20.530 -11.565 -4.152 1.00 0.00 C ATOM 597 C LYS A 188 20.658 -11.073 -5.573 1.00 0.00 C ATOM 598 O LYS A 188 19.753 -11.239 -6.388 1.00 0.00 O ATOM 599 CB LYS A 188 19.844 -12.953 -4.072 1.00 0.00 C ATOM 600 CG LYS A 188 20.689 -14.171 -4.496 1.00 0.00 C ATOM 601 CD LYS A 188 20.958 -14.238 -5.995 1.00 0.00 C ATOM 602 CE LYS A 188 21.836 -15.424 -6.352 1.00 0.00 C ATOM 603 NZ LYS A 188 21.246 -16.705 -5.926 1.00 0.00 N ATOM 0 H LYS A 188 18.751 -10.613 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 188 21.523 -11.683 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 188 19.513 -13.110 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.950 -12.926 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 188 21.641 -14.144 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 188 20.178 -15.082 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 188 20.012 -14.310 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 188 21.440 -13.316 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 188 21.998 -15.442 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 188 22.813 -15.303 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.759 -17.490 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 21.317 -16.793 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 20.246 -16.737 -6.209 1.00 0.00 H new ATOM 617 N LYS A 189 21.758 -10.450 -5.846 1.00 0.00 N ATOM 618 CA LYS A 189 21.996 -9.803 -7.108 1.00 0.00 C ATOM 619 C LYS A 189 23.451 -10.032 -7.506 1.00 0.00 C ATOM 620 O LYS A 189 24.236 -10.516 -6.670 1.00 0.00 O ATOM 621 CB LYS A 189 21.732 -8.299 -6.927 1.00 0.00 C ATOM 622 CG LYS A 189 22.618 -7.668 -5.880 1.00 0.00 C ATOM 623 CD LYS A 189 22.346 -6.201 -5.707 1.00 0.00 C ATOM 624 CE LYS A 189 23.221 -5.621 -4.609 1.00 0.00 C ATOM 625 NZ LYS A 189 23.023 -6.315 -3.320 1.00 0.00 N ATOM 0 H LYS A 189 22.535 -10.371 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 189 21.344 -10.203 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 189 21.885 -7.791 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 189 20.688 -8.149 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.469 -8.177 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 189 23.662 -7.811 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 189 22.535 -5.678 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.295 -6.047 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 189 24.268 -5.694 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 189 22.997 -4.561 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 23.177 -5.646 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.053 -6.687 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 23.699 -7.101 -3.242 1.00 0.00 H new ATOM 639 N PRO A 190 23.837 -9.723 -8.766 1.00 0.00 N ATOM 640 CA PRO A 190 25.226 -9.837 -9.215 1.00 0.00 C ATOM 641 C PRO A 190 26.165 -8.945 -8.402 1.00 0.00 C ATOM 642 O PRO A 190 25.826 -7.776 -8.087 1.00 0.00 O ATOM 643 CB PRO A 190 25.183 -9.355 -10.671 1.00 0.00 C ATOM 644 CG PRO A 190 23.774 -9.536 -11.088 1.00 0.00 C ATOM 645 CD PRO A 190 22.955 -9.275 -9.865 1.00 0.00 C ATOM 0 HA PRO A 190 25.604 -10.853 -9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.488 -8.312 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 190 25.859 -9.934 -11.300 1.00 0.00 H new ATOM 0 HG2 PRO A 190 23.511 -8.846 -11.890 1.00 0.00 H new ATOM 0 HG3 PRO A 190 23.604 -10.544 -11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 190 22.698 -8.220 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 190 22.018 -9.831 -9.882 1.00 0.00 H new ATOM 653 N ALA A 191 27.333 -9.499 -8.068 1.00 0.00 N ATOM 654 CA ALA A 191 28.370 -8.820 -7.288 1.00 0.00 C ATOM 655 C ALA A 191 27.840 -8.366 -5.920 1.00 0.00 C ATOM 656 O ALA A 191 26.843 -8.900 -5.414 1.00 0.00 O ATOM 657 CB ALA A 191 28.954 -7.651 -8.079 1.00 0.00 C ATOM 0 H ALA A 191 27.589 -10.449 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 191 29.172 -9.534 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 191 29.723 -7.158 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 191 29.393 -8.022 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 191 28.163 -6.938 -8.312 1.00 0.00 H new ATOM 663 N LEU A 192 28.502 -7.411 -5.323 1.00 0.00 N ATOM 664 CA LEU A 192 28.124 -6.927 -4.034 1.00 0.00 C ATOM 665 C LEU A 192 27.628 -5.490 -4.140 1.00 0.00 C ATOM 666 O LEU A 192 26.434 -5.293 -4.431 1.00 0.00 O ATOM 667 CB LEU A 192 29.268 -7.095 -2.971 1.00 0.00 C ATOM 668 CG LEU A 192 30.643 -6.395 -3.210 1.00 0.00 C ATOM 669 CD1 LEU A 192 31.481 -6.456 -1.944 1.00 0.00 C ATOM 670 CD2 LEU A 192 31.426 -7.040 -4.356 1.00 0.00 C ATOM 671 OXT LEU A 192 28.419 -4.544 -3.960 1.00 0.00 O ATOM 0 H LEU A 192 29.319 -6.950 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 192 27.300 -7.540 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 192 28.882 -6.740 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 192 29.459 -8.163 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 192 30.435 -5.360 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 192 32.439 -5.966 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 192 30.955 -5.949 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 192 31.651 -7.497 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 192 32.375 -6.520 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 192 31.615 -8.088 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 192 30.846 -6.972 -5.276 1.00 0.00 H new TER 683 LEU A 192