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 Single : A 152 SER OG : rot -56:sc= 0.763 USER MOD Single : A 162 SER OG : rot 125:sc= 1.23 USER MOD Single : A 164 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.16) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.98) USER MOD Single : A 181 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.6!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.716) USER MOD Single : A 186 LYS NZ :NH3+ -168:sc= -0.0209 (180deg=-0.195) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ -155:sc= -0.843 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -16.175 -6.483 -13.778 1.00 0.00 N ATOM 2 CA GLY A 149 -15.478 -5.877 -12.651 1.00 0.00 C ATOM 3 C GLY A 149 -14.008 -5.726 -12.958 1.00 0.00 C ATOM 4 O GLY A 149 -13.664 -5.207 -14.015 1.00 0.00 O ATOM 0 HA2 GLY A 149 -15.911 -4.902 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -15.608 -6.493 -11.761 1.00 0.00 H new ATOM 10 N PRO A 150 -13.113 -6.189 -12.049 1.00 0.00 N ATOM 11 CA PRO A 150 -11.652 -6.151 -12.245 1.00 0.00 C ATOM 12 C PRO A 150 -11.211 -6.852 -13.534 1.00 0.00 C ATOM 13 O PRO A 150 -11.915 -7.722 -14.065 1.00 0.00 O ATOM 14 CB PRO A 150 -11.114 -6.905 -11.039 1.00 0.00 C ATOM 15 CG PRO A 150 -12.157 -6.740 -10.008 1.00 0.00 C ATOM 16 CD PRO A 150 -13.458 -6.763 -10.742 1.00 0.00 C ATOM 0 HA PRO A 150 -11.287 -5.128 -12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -10.947 -7.957 -11.270 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -10.160 -6.496 -10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -12.109 -7.541 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -12.029 -5.802 -9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -13.849 -7.776 -10.837 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -14.220 -6.174 -10.231 1.00 0.00 H new ATOM 24 N GLY A 151 -10.046 -6.493 -14.005 1.00 0.00 N ATOM 25 CA GLY A 151 -9.580 -6.991 -15.268 1.00 0.00 C ATOM 26 C GLY A 151 -10.093 -6.098 -16.360 1.00 0.00 C ATOM 27 O GLY A 151 -10.349 -6.528 -17.485 1.00 0.00 O ATOM 0 H GLY A 151 -9.404 -5.857 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -8.490 -7.019 -15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -9.927 -8.013 -15.422 1.00 0.00 H new ATOM 31 N SER A 152 -10.267 -4.860 -15.993 1.00 0.00 N ATOM 32 CA SER A 152 -10.791 -3.835 -16.843 1.00 0.00 C ATOM 33 C SER A 152 -9.671 -3.278 -17.748 1.00 0.00 C ATOM 34 O SER A 152 -8.495 -3.657 -17.621 1.00 0.00 O ATOM 35 CB SER A 152 -11.315 -2.742 -15.930 1.00 0.00 C ATOM 36 OG SER A 152 -11.850 -3.310 -14.735 1.00 0.00 O ATOM 0 H SER A 152 -10.038 -4.527 -15.057 1.00 0.00 H new ATOM 0 HA SER A 152 -11.581 -4.221 -17.488 1.00 0.00 H new ATOM 0 HB2 SER A 152 -10.511 -2.048 -15.683 1.00 0.00 H new ATOM 0 HB3 SER A 152 -12.085 -2.167 -16.444 1.00 0.00 H new ATOM 0 HG SER A 152 -12.546 -3.961 -14.965 1.00 0.00 H new ATOM 42 N GLU A 153 -10.030 -2.383 -18.637 1.00 0.00 N ATOM 43 CA GLU A 153 -9.075 -1.747 -19.532 1.00 0.00 C ATOM 44 C GLU A 153 -8.265 -0.727 -18.740 1.00 0.00 C ATOM 45 O GLU A 153 -7.144 -0.385 -19.087 1.00 0.00 O ATOM 46 CB GLU A 153 -9.772 -1.008 -20.706 1.00 0.00 C ATOM 47 CG GLU A 153 -11.057 -1.641 -21.240 1.00 0.00 C ATOM 48 CD GLU A 153 -12.256 -1.277 -20.391 1.00 0.00 C ATOM 49 OE1 GLU A 153 -12.508 -1.930 -19.374 1.00 0.00 O ATOM 50 OE2 GLU A 153 -12.925 -0.293 -20.693 1.00 0.00 O ATOM 0 H GLU A 153 -10.992 -2.070 -18.766 1.00 0.00 H new ATOM 0 HA GLU A 153 -8.441 -2.529 -19.950 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -10.000 0.008 -20.383 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -9.062 -0.929 -21.529 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -11.225 -1.313 -22.266 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -10.945 -2.725 -21.266 1.00 0.00 H new ATOM 57 N ASP A 154 -8.858 -0.243 -17.669 1.00 0.00 N ATOM 58 CA ASP A 154 -8.248 0.762 -16.790 1.00 0.00 C ATOM 59 C ASP A 154 -7.731 0.063 -15.514 1.00 0.00 C ATOM 60 O ASP A 154 -7.431 0.684 -14.516 1.00 0.00 O ATOM 61 CB ASP A 154 -9.341 1.796 -16.442 1.00 0.00 C ATOM 62 CG ASP A 154 -8.843 3.078 -15.802 1.00 0.00 C ATOM 63 OD1 ASP A 154 -8.435 3.986 -16.545 1.00 0.00 O ATOM 64 OD2 ASP A 154 -8.914 3.224 -14.566 1.00 0.00 O ATOM 0 H ASP A 154 -9.789 -0.533 -17.371 1.00 0.00 H new ATOM 0 HA ASP A 154 -7.408 1.261 -17.273 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -9.880 2.051 -17.354 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -10.059 1.328 -15.768 1.00 0.00 H new ATOM 69 N ASP A 155 -7.587 -1.254 -15.596 1.00 0.00 N ATOM 70 CA ASP A 155 -7.227 -2.085 -14.423 1.00 0.00 C ATOM 71 C ASP A 155 -5.775 -1.896 -14.007 1.00 0.00 C ATOM 72 O ASP A 155 -5.444 -1.946 -12.819 1.00 0.00 O ATOM 73 CB ASP A 155 -7.474 -3.562 -14.728 1.00 0.00 C ATOM 74 CG ASP A 155 -7.475 -4.448 -13.504 1.00 0.00 C ATOM 75 OD1 ASP A 155 -8.550 -4.558 -12.861 1.00 0.00 O ATOM 76 OD2 ASP A 155 -6.447 -5.074 -13.185 1.00 0.00 O ATOM 0 H ASP A 155 -7.712 -1.783 -16.459 1.00 0.00 H new ATOM 0 HA ASP A 155 -7.859 -1.761 -13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -8.432 -3.662 -15.238 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -6.707 -3.914 -15.418 1.00 0.00 H new ATOM 81 N ASP A 156 -4.923 -1.682 -14.982 1.00 0.00 N ATOM 82 CA ASP A 156 -3.495 -1.516 -14.736 1.00 0.00 C ATOM 83 C ASP A 156 -3.167 -0.088 -14.366 1.00 0.00 C ATOM 84 O ASP A 156 -2.475 0.164 -13.375 1.00 0.00 O ATOM 85 CB ASP A 156 -2.676 -1.986 -15.952 1.00 0.00 C ATOM 86 CG ASP A 156 -1.237 -1.518 -15.942 1.00 0.00 C ATOM 87 OD1 ASP A 156 -0.441 -1.972 -15.098 1.00 0.00 O ATOM 88 OD2 ASP A 156 -0.861 -0.720 -16.827 1.00 0.00 O ATOM 0 H ASP A 156 -5.190 -1.617 -15.964 1.00 0.00 H new ATOM 0 HA ASP A 156 -3.221 -2.142 -13.887 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -2.693 -3.075 -15.990 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -3.158 -1.628 -16.862 1.00 0.00 H new ATOM 93 N ILE A 157 -3.699 0.838 -15.130 1.00 0.00 N ATOM 94 CA ILE A 157 -3.468 2.244 -14.903 1.00 0.00 C ATOM 95 C ILE A 157 -4.571 2.782 -14.009 1.00 0.00 C ATOM 96 O ILE A 157 -5.563 3.336 -14.485 1.00 0.00 O ATOM 97 CB ILE A 157 -3.439 3.056 -16.235 1.00 0.00 C ATOM 98 CG1 ILE A 157 -2.429 2.448 -17.216 1.00 0.00 C ATOM 99 CG2 ILE A 157 -3.093 4.524 -15.965 1.00 0.00 C ATOM 100 CD1 ILE A 157 -2.422 3.104 -18.584 1.00 0.00 C ATOM 0 H ILE A 157 -4.304 0.637 -15.926 1.00 0.00 H new ATOM 0 HA ILE A 157 -2.493 2.356 -14.429 1.00 0.00 H new ATOM 0 HB ILE A 157 -4.432 3.009 -16.683 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -1.431 2.521 -16.785 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -2.648 1.387 -17.335 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -3.078 5.073 -16.906 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -3.842 4.959 -15.303 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -2.112 4.586 -15.493 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -1.681 2.616 -19.218 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.408 3.008 -19.039 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.172 4.160 -18.480 1.00 0.00 H new ATOM 112 N ASP A 158 -4.441 2.556 -12.743 1.00 0.00 N ATOM 113 CA ASP A 158 -5.426 2.995 -11.810 1.00 0.00 C ATOM 114 C ASP A 158 -4.892 4.159 -11.007 1.00 0.00 C ATOM 115 O ASP A 158 -3.688 4.244 -10.720 1.00 0.00 O ATOM 116 CB ASP A 158 -5.820 1.864 -10.871 1.00 0.00 C ATOM 117 CG ASP A 158 -4.739 1.523 -9.883 1.00 0.00 C ATOM 118 OD1 ASP A 158 -3.693 0.973 -10.284 1.00 0.00 O ATOM 119 OD2 ASP A 158 -4.902 1.805 -8.686 1.00 0.00 O ATOM 0 H ASP A 158 -3.651 2.063 -12.327 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.309 3.311 -12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -6.724 2.145 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -6.062 0.978 -11.458 1.00 0.00 H new ATOM 124 N LEU A 159 -5.753 5.084 -10.725 1.00 0.00 N ATOM 125 CA LEU A 159 -5.419 6.212 -9.903 1.00 0.00 C ATOM 126 C LEU A 159 -6.633 6.556 -9.020 1.00 0.00 C ATOM 127 O LEU A 159 -6.495 7.128 -7.942 1.00 0.00 O ATOM 128 CB LEU A 159 -5.096 7.375 -10.856 1.00 0.00 C ATOM 129 CG LEU A 159 -4.121 8.495 -10.384 1.00 0.00 C ATOM 130 CD1 LEU A 159 -4.677 9.313 -9.232 1.00 0.00 C ATOM 131 CD2 LEU A 159 -2.762 7.908 -10.018 1.00 0.00 C ATOM 0 H LEU A 159 -6.717 5.081 -11.060 1.00 0.00 H new ATOM 0 HA LEU A 159 -4.568 6.009 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -4.685 6.946 -11.770 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -6.039 7.852 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 159 -3.999 9.178 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.954 10.077 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.607 9.790 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.869 8.659 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.097 8.707 -9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -2.883 7.184 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.333 7.412 -10.889 1.00 0.00 H new ATOM 143 N PHE A 160 -7.813 6.137 -9.462 1.00 0.00 N ATOM 144 CA PHE A 160 -9.055 6.537 -8.834 1.00 0.00 C ATOM 145 C PHE A 160 -9.257 5.946 -7.419 1.00 0.00 C ATOM 146 O PHE A 160 -9.518 6.698 -6.477 1.00 0.00 O ATOM 147 CB PHE A 160 -10.238 6.214 -9.758 1.00 0.00 C ATOM 148 CG PHE A 160 -11.534 6.876 -9.372 1.00 0.00 C ATOM 149 CD1 PHE A 160 -11.745 8.215 -9.660 1.00 0.00 C ATOM 150 CD2 PHE A 160 -12.539 6.168 -8.743 1.00 0.00 C ATOM 151 CE1 PHE A 160 -12.930 8.831 -9.326 1.00 0.00 C ATOM 152 CE2 PHE A 160 -13.729 6.783 -8.403 1.00 0.00 C ATOM 153 CZ PHE A 160 -13.923 8.114 -8.694 1.00 0.00 C ATOM 0 H PHE A 160 -7.930 5.514 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 160 -9.001 7.615 -8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -9.981 6.514 -10.774 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -10.387 5.134 -9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.970 8.783 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -12.393 5.123 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -13.081 9.875 -9.559 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -14.507 6.219 -7.909 1.00 0.00 H new ATOM 0 HZ PHE A 160 -14.852 8.596 -8.428 1.00 0.00 H new ATOM 163 N GLY A 161 -9.132 4.634 -7.254 1.00 0.00 N ATOM 164 CA GLY A 161 -9.396 4.063 -5.940 1.00 0.00 C ATOM 165 C GLY A 161 -8.406 2.996 -5.506 1.00 0.00 C ATOM 166 O GLY A 161 -7.367 3.308 -4.919 1.00 0.00 O ATOM 0 H GLY A 161 -8.861 3.970 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.393 4.865 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.398 3.633 -5.939 1.00 0.00 H new ATOM 170 N SER A 162 -8.760 1.746 -5.764 1.00 0.00 N ATOM 171 CA SER A 162 -7.988 0.552 -5.418 1.00 0.00 C ATOM 172 C SER A 162 -7.850 0.351 -3.906 1.00 0.00 C ATOM 173 O SER A 162 -8.574 -0.444 -3.324 1.00 0.00 O ATOM 174 CB SER A 162 -6.651 0.521 -6.151 1.00 0.00 C ATOM 175 OG SER A 162 -6.874 0.570 -7.555 1.00 0.00 O ATOM 0 H SER A 162 -9.633 1.521 -6.242 1.00 0.00 H new ATOM 0 HA SER A 162 -8.557 -0.309 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 162 -6.035 1.365 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 162 -6.104 -0.385 -5.891 1.00 0.00 H new ATOM 0 HG SER A 162 -6.368 1.316 -7.941 1.00 0.00 H new ATOM 181 N ASP A 163 -6.993 1.122 -3.262 1.00 0.00 N ATOM 182 CA ASP A 163 -6.791 0.988 -1.813 1.00 0.00 C ATOM 183 C ASP A 163 -7.918 1.681 -1.081 1.00 0.00 C ATOM 184 O ASP A 163 -8.141 1.477 0.108 1.00 0.00 O ATOM 185 CB ASP A 163 -5.451 1.593 -1.363 1.00 0.00 C ATOM 186 CG ASP A 163 -4.240 0.926 -1.962 1.00 0.00 C ATOM 187 OD1 ASP A 163 -3.916 -0.204 -1.579 1.00 0.00 O ATOM 188 OD2 ASP A 163 -3.554 1.561 -2.800 1.00 0.00 O ATOM 0 H ASP A 163 -6.426 1.844 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 163 -6.778 -0.076 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -5.436 2.651 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -5.385 1.533 -0.277 1.00 0.00 H new ATOM 193 N ASN A 164 -8.634 2.500 -1.815 1.00 0.00 N ATOM 194 CA ASN A 164 -9.744 3.265 -1.275 1.00 0.00 C ATOM 195 C ASN A 164 -11.074 2.546 -1.562 1.00 0.00 C ATOM 196 O ASN A 164 -12.148 2.993 -1.154 1.00 0.00 O ATOM 197 CB ASN A 164 -9.722 4.690 -1.879 1.00 0.00 C ATOM 198 CG ASN A 164 -10.785 5.635 -1.326 1.00 0.00 C ATOM 199 OD1 ASN A 164 -11.882 5.757 -1.873 1.00 0.00 O ATOM 200 ND2 ASN A 164 -10.471 6.308 -0.257 1.00 0.00 N ATOM 0 H ASN A 164 -8.466 2.658 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 164 -9.646 3.349 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -8.740 5.129 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -9.850 4.614 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -11.142 6.959 0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.554 6.184 0.172 1.00 0.00 H new ATOM 207 N GLU A 165 -10.992 1.417 -2.224 1.00 0.00 N ATOM 208 CA GLU A 165 -12.171 0.655 -2.576 1.00 0.00 C ATOM 209 C GLU A 165 -12.485 -0.382 -1.502 1.00 0.00 C ATOM 210 O GLU A 165 -11.593 -1.088 -1.025 1.00 0.00 O ATOM 211 CB GLU A 165 -12.016 0.033 -3.966 1.00 0.00 C ATOM 212 CG GLU A 165 -12.046 1.077 -5.084 1.00 0.00 C ATOM 213 CD GLU A 165 -11.862 0.502 -6.470 1.00 0.00 C ATOM 214 OE1 GLU A 165 -12.724 -0.268 -6.925 1.00 0.00 O ATOM 215 OE2 GLU A 165 -10.884 0.875 -7.154 1.00 0.00 O ATOM 0 H GLU A 165 -10.114 1.001 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 165 -13.026 1.329 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -11.075 -0.516 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -12.815 -0.690 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.997 1.608 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.263 1.813 -4.901 1.00 0.00 H new ATOM 222 N GLU A 166 -13.749 -0.447 -1.106 1.00 0.00 N ATOM 223 CA GLU A 166 -14.187 -1.337 -0.032 1.00 0.00 C ATOM 224 C GLU A 166 -14.537 -2.732 -0.549 1.00 0.00 C ATOM 225 O GLU A 166 -14.226 -3.736 0.094 1.00 0.00 O ATOM 226 CB GLU A 166 -15.424 -0.762 0.703 1.00 0.00 C ATOM 227 CG GLU A 166 -16.613 -0.458 -0.217 1.00 0.00 C ATOM 228 CD GLU A 166 -17.941 -0.397 0.499 1.00 0.00 C ATOM 229 OE1 GLU A 166 -18.280 0.655 1.092 1.00 0.00 O ATOM 230 OE2 GLU A 166 -18.697 -1.394 0.451 1.00 0.00 O ATOM 0 H GLU A 166 -14.498 0.111 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 166 -13.347 -1.414 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -15.742 -1.471 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -15.134 0.153 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -16.438 0.494 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -16.664 -1.222 -0.993 1.00 0.00 H new ATOM 237 N GLU A 167 -15.163 -2.777 -1.713 1.00 0.00 N ATOM 238 CA GLU A 167 -15.734 -3.994 -2.235 1.00 0.00 C ATOM 239 C GLU A 167 -14.673 -5.005 -2.586 1.00 0.00 C ATOM 240 O GLU A 167 -14.706 -6.142 -2.098 1.00 0.00 O ATOM 241 CB GLU A 167 -16.625 -3.687 -3.445 1.00 0.00 C ATOM 242 CG GLU A 167 -17.472 -4.859 -3.909 1.00 0.00 C ATOM 243 CD GLU A 167 -18.341 -5.392 -2.794 1.00 0.00 C ATOM 244 OE1 GLU A 167 -19.114 -4.607 -2.197 1.00 0.00 O ATOM 245 OE2 GLU A 167 -18.234 -6.592 -2.456 1.00 0.00 O ATOM 0 H GLU A 167 -15.287 -1.966 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 167 -16.350 -4.437 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.283 -2.854 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -15.995 -3.359 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -18.100 -4.547 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -16.824 -5.654 -4.278 1.00 0.00 H new ATOM 252 N ASP A 168 -13.723 -4.602 -3.390 1.00 0.00 N ATOM 253 CA ASP A 168 -12.704 -5.519 -3.810 1.00 0.00 C ATOM 254 C ASP A 168 -11.607 -5.563 -2.772 1.00 0.00 C ATOM 255 O ASP A 168 -10.697 -4.726 -2.753 1.00 0.00 O ATOM 256 CB ASP A 168 -12.144 -5.149 -5.162 1.00 0.00 C ATOM 257 CG ASP A 168 -11.487 -6.331 -5.808 1.00 0.00 C ATOM 258 OD1 ASP A 168 -10.447 -6.792 -5.329 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.049 -6.859 -6.809 1.00 0.00 O ATOM 0 H ASP A 168 -13.636 -3.656 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 168 -13.151 -6.508 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -12.944 -4.777 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -11.421 -4.341 -5.052 1.00 0.00 H new ATOM 264 N LYS A 169 -11.728 -6.508 -1.883 1.00 0.00 N ATOM 265 CA LYS A 169 -10.822 -6.646 -0.770 1.00 0.00 C ATOM 266 C LYS A 169 -9.521 -7.262 -1.231 1.00 0.00 C ATOM 267 O LYS A 169 -8.442 -6.895 -0.767 1.00 0.00 O ATOM 268 CB LYS A 169 -11.455 -7.531 0.308 1.00 0.00 C ATOM 269 CG LYS A 169 -10.607 -7.693 1.560 1.00 0.00 C ATOM 270 CD LYS A 169 -11.252 -8.643 2.543 1.00 0.00 C ATOM 271 CE LYS A 169 -10.436 -8.750 3.813 1.00 0.00 C ATOM 272 NZ LYS A 169 -11.050 -9.672 4.789 1.00 0.00 N ATOM 0 H LYS A 169 -12.465 -7.213 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.621 -5.658 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.420 -7.108 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.650 -8.516 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.619 -8.065 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.463 -6.721 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.258 -8.297 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.353 -9.628 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.431 -9.096 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -10.333 -7.762 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -10.459 -9.716 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -11.999 -9.329 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -11.125 -10.621 4.371 1.00 0.00 H new ATOM 286 N GLU A 170 -9.628 -8.180 -2.162 1.00 0.00 N ATOM 287 CA GLU A 170 -8.486 -8.920 -2.644 1.00 0.00 C ATOM 288 C GLU A 170 -7.492 -8.000 -3.365 1.00 0.00 C ATOM 289 O GLU A 170 -6.280 -8.146 -3.177 1.00 0.00 O ATOM 290 CB GLU A 170 -8.939 -10.095 -3.512 1.00 0.00 C ATOM 291 CG GLU A 170 -9.640 -9.676 -4.771 1.00 0.00 C ATOM 292 CD GLU A 170 -10.465 -10.747 -5.373 1.00 0.00 C ATOM 293 OE1 GLU A 170 -9.926 -11.654 -6.031 1.00 0.00 O ATOM 294 OE2 GLU A 170 -11.692 -10.697 -5.215 1.00 0.00 O ATOM 0 H GLU A 170 -10.510 -8.435 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.953 -9.337 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.070 -10.699 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.605 -10.731 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.275 -8.817 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.898 -9.348 -5.499 1.00 0.00 H new ATOM 301 N ALA A 171 -7.998 -7.028 -4.148 1.00 0.00 N ATOM 302 CA ALA A 171 -7.126 -6.072 -4.819 1.00 0.00 C ATOM 303 C ALA A 171 -6.422 -5.218 -3.794 1.00 0.00 C ATOM 304 O ALA A 171 -5.213 -5.021 -3.871 1.00 0.00 O ATOM 305 CB ALA A 171 -7.890 -5.194 -5.800 1.00 0.00 C ATOM 0 H ALA A 171 -8.994 -6.893 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.392 -6.637 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.201 -4.497 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.358 -5.820 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.659 -4.636 -5.266 1.00 0.00 H new ATOM 311 N ALA A 172 -7.180 -4.752 -2.805 1.00 0.00 N ATOM 312 CA ALA A 172 -6.642 -3.926 -1.732 1.00 0.00 C ATOM 313 C ALA A 172 -5.534 -4.672 -0.991 1.00 0.00 C ATOM 314 O ALA A 172 -4.482 -4.100 -0.667 1.00 0.00 O ATOM 315 CB ALA A 172 -7.753 -3.515 -0.774 1.00 0.00 C ATOM 0 H ALA A 172 -8.180 -4.936 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.213 -3.023 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.337 -2.898 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.509 -2.946 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.209 -4.406 -0.342 1.00 0.00 H new ATOM 321 N GLN A 173 -5.771 -5.950 -0.756 1.00 0.00 N ATOM 322 CA GLN A 173 -4.804 -6.828 -0.126 1.00 0.00 C ATOM 323 C GLN A 173 -3.518 -6.940 -0.930 1.00 0.00 C ATOM 324 O GLN A 173 -2.447 -6.570 -0.439 1.00 0.00 O ATOM 325 CB GLN A 173 -5.405 -8.210 0.127 1.00 0.00 C ATOM 326 CG GLN A 173 -6.372 -8.253 1.300 1.00 0.00 C ATOM 327 CD GLN A 173 -5.681 -7.940 2.613 1.00 0.00 C ATOM 328 OE1 GLN A 173 -4.489 -8.249 2.793 1.00 0.00 O ATOM 329 NE2 GLN A 173 -6.382 -7.308 3.518 1.00 0.00 N ATOM 0 H GLN A 173 -6.648 -6.411 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.546 -6.380 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.925 -8.540 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.598 -8.920 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -7.177 -7.537 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -6.830 -9.240 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -7.357 -7.071 3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.954 -7.052 4.408 1.00 0.00 H new ATOM 338 N LEU A 174 -3.626 -7.413 -2.170 1.00 0.00 N ATOM 339 CA LEU A 174 -2.452 -7.614 -3.022 1.00 0.00 C ATOM 340 C LEU A 174 -1.674 -6.319 -3.286 1.00 0.00 C ATOM 341 O LEU A 174 -0.446 -6.340 -3.389 1.00 0.00 O ATOM 342 CB LEU A 174 -2.815 -8.388 -4.316 1.00 0.00 C ATOM 343 CG LEU A 174 -3.915 -7.802 -5.222 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.408 -6.699 -6.141 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.615 -8.896 -5.999 1.00 0.00 C ATOM 0 H LEU A 174 -4.512 -7.664 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.760 -8.246 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.908 -8.487 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.119 -9.395 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.643 -7.330 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.231 -6.328 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.005 -5.883 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.625 -7.095 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.387 -8.457 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.891 -9.420 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.072 -9.600 -5.304 1.00 0.00 H new ATOM 357 N ARG A 175 -2.387 -5.195 -3.358 1.00 0.00 N ATOM 358 CA ARG A 175 -1.755 -3.892 -3.542 1.00 0.00 C ATOM 359 C ARG A 175 -0.860 -3.560 -2.369 1.00 0.00 C ATOM 360 O ARG A 175 0.291 -3.152 -2.549 1.00 0.00 O ATOM 361 CB ARG A 175 -2.798 -2.789 -3.747 1.00 0.00 C ATOM 362 CG ARG A 175 -3.481 -2.811 -5.094 1.00 0.00 C ATOM 363 CD ARG A 175 -2.493 -2.518 -6.199 1.00 0.00 C ATOM 364 NE ARG A 175 -3.125 -2.516 -7.505 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.273 -1.441 -8.276 1.00 0.00 C ATOM 366 NH1 ARG A 175 -2.967 -0.234 -7.819 1.00 0.00 N ATOM 367 NH2 ARG A 175 -3.758 -1.564 -9.495 1.00 0.00 N ATOM 0 H ARG A 175 -3.404 -5.163 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.143 -3.947 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.556 -2.875 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.314 -1.821 -3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -3.940 -3.786 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.284 -2.074 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.026 -1.549 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.698 -3.263 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.482 -3.404 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.614 -0.123 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.084 0.583 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -4.021 -2.484 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.871 -0.739 -10.085 1.00 0.00 H new ATOM 381 N GLU A 176 -1.382 -3.786 -1.182 1.00 0.00 N ATOM 382 CA GLU A 176 -0.670 -3.540 0.053 1.00 0.00 C ATOM 383 C GLU A 176 0.599 -4.415 0.099 1.00 0.00 C ATOM 384 O GLU A 176 1.695 -3.931 0.407 1.00 0.00 O ATOM 385 CB GLU A 176 -1.618 -3.850 1.227 1.00 0.00 C ATOM 386 CG GLU A 176 -1.071 -3.590 2.618 1.00 0.00 C ATOM 387 CD GLU A 176 -0.669 -2.154 2.848 1.00 0.00 C ATOM 388 OE1 GLU A 176 -1.546 -1.245 2.806 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.521 -1.897 3.081 1.00 0.00 O ATOM 0 H GLU A 176 -2.325 -4.150 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.354 -2.499 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.525 -3.259 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.909 -4.898 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.824 -3.871 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.207 -4.232 2.786 1.00 0.00 H new ATOM 396 N GLU A 177 0.444 -5.678 -0.287 1.00 0.00 N ATOM 397 CA GLU A 177 1.534 -6.646 -0.279 1.00 0.00 C ATOM 398 C GLU A 177 2.663 -6.232 -1.225 1.00 0.00 C ATOM 399 O GLU A 177 3.829 -6.144 -0.819 1.00 0.00 O ATOM 400 CB GLU A 177 1.032 -8.032 -0.676 1.00 0.00 C ATOM 401 CG GLU A 177 -0.096 -8.557 0.185 1.00 0.00 C ATOM 402 CD GLU A 177 -0.520 -9.939 -0.218 1.00 0.00 C ATOM 403 OE1 GLU A 177 -1.180 -10.103 -1.259 1.00 0.00 O ATOM 404 OE2 GLU A 177 -0.178 -10.901 0.500 1.00 0.00 O ATOM 0 H GLU A 177 -0.444 -6.059 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 177 1.924 -6.677 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.697 -8.001 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.865 -8.734 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 177 0.219 -8.565 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.949 -7.882 0.115 1.00 0.00 H new ATOM 411 N ARG A 178 2.322 -5.945 -2.478 1.00 0.00 N ATOM 412 CA ARG A 178 3.324 -5.624 -3.466 1.00 0.00 C ATOM 413 C ARG A 178 4.006 -4.294 -3.210 1.00 0.00 C ATOM 414 O ARG A 178 5.128 -4.090 -3.656 1.00 0.00 O ATOM 415 CB ARG A 178 2.756 -5.693 -4.866 1.00 0.00 C ATOM 416 CG ARG A 178 1.599 -4.758 -5.118 1.00 0.00 C ATOM 417 CD ARG A 178 0.979 -5.066 -6.441 1.00 0.00 C ATOM 418 NE ARG A 178 0.498 -6.452 -6.495 1.00 0.00 N ATOM 419 CZ ARG A 178 -0.155 -7.001 -7.515 1.00 0.00 C ATOM 420 NH1 ARG A 178 -0.507 -6.263 -8.564 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.461 -8.290 -7.473 1.00 0.00 N ATOM 0 H ARG A 178 1.362 -5.930 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 178 4.099 -6.385 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.550 -5.469 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.431 -6.715 -5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.857 -4.861 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.944 -3.724 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.149 -4.383 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 178 1.708 -4.901 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 178 0.680 -7.042 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.276 -5.270 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -1.008 -6.690 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -0.196 -8.851 -6.663 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.962 -8.721 -8.250 1.00 0.00 H new ATOM 435 N LEU A 179 3.344 -3.404 -2.495 1.00 0.00 N ATOM 436 CA LEU A 179 3.936 -2.120 -2.167 1.00 0.00 C ATOM 437 C LEU A 179 5.035 -2.345 -1.138 1.00 0.00 C ATOM 438 O LEU A 179 6.147 -1.821 -1.272 1.00 0.00 O ATOM 439 CB LEU A 179 2.850 -1.147 -1.647 1.00 0.00 C ATOM 440 CG LEU A 179 3.218 0.356 -1.493 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.966 1.152 -1.252 1.00 0.00 C ATOM 442 CD2 LEU A 179 4.187 0.613 -0.340 1.00 0.00 C ATOM 0 H LEU A 179 2.401 -3.545 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 179 4.374 -1.664 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.995 -1.212 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.518 -1.509 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 179 3.711 0.660 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 179 2.220 2.206 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 179 1.288 1.027 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.481 0.800 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 179 4.408 1.679 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.735 0.284 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.111 0.060 -0.511 1.00 0.00 H new ATOM 454 N ARG A 180 4.732 -3.161 -0.146 1.00 0.00 N ATOM 455 CA ARG A 180 5.678 -3.465 0.915 1.00 0.00 C ATOM 456 C ARG A 180 6.911 -4.152 0.364 1.00 0.00 C ATOM 457 O ARG A 180 8.019 -3.731 0.637 1.00 0.00 O ATOM 458 CB ARG A 180 5.046 -4.338 1.981 1.00 0.00 C ATOM 459 CG ARG A 180 3.880 -3.707 2.709 1.00 0.00 C ATOM 460 CD ARG A 180 3.307 -4.695 3.679 1.00 0.00 C ATOM 461 NE ARG A 180 2.119 -4.215 4.366 1.00 0.00 N ATOM 462 CZ ARG A 180 1.243 -5.020 4.976 1.00 0.00 C ATOM 463 NH1 ARG A 180 1.381 -6.345 4.879 1.00 0.00 N ATOM 464 NH2 ARG A 180 0.225 -4.511 5.653 1.00 0.00 N ATOM 0 H ARG A 180 3.831 -3.629 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 180 5.971 -2.517 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.708 -5.265 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.810 -4.606 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.208 -2.811 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 180 3.117 -3.396 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.062 -5.614 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.067 -4.948 4.418 1.00 0.00 H new ATOM 0 HE ARG A 180 1.944 -3.210 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 180 2.153 -6.739 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 180 0.715 -6.962 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 180 0.106 -3.500 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -0.440 -5.130 6.116 1.00 0.00 H new ATOM 478 N GLN A 181 6.708 -5.185 -0.461 1.00 0.00 N ATOM 479 CA GLN A 181 7.829 -5.941 -1.031 1.00 0.00 C ATOM 480 C GLN A 181 8.660 -5.058 -1.954 1.00 0.00 C ATOM 481 O GLN A 181 9.864 -5.237 -2.085 1.00 0.00 O ATOM 482 CB GLN A 181 7.328 -7.226 -1.737 1.00 0.00 C ATOM 483 CG GLN A 181 6.557 -7.031 -3.045 1.00 0.00 C ATOM 484 CD GLN A 181 7.451 -6.927 -4.265 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.524 -7.528 -4.315 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.045 -6.152 -5.230 1.00 0.00 N ATOM 0 H GLN A 181 5.786 -5.515 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 181 8.483 -6.261 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.190 -7.861 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.688 -7.770 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.868 -7.865 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.952 -6.127 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.150 -5.669 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.623 -6.028 -6.062 1.00 0.00 H new ATOM 495 N TYR A 182 7.999 -4.095 -2.560 1.00 0.00 N ATOM 496 CA TYR A 182 8.638 -3.147 -3.450 1.00 0.00 C ATOM 497 C TYR A 182 9.656 -2.308 -2.688 1.00 0.00 C ATOM 498 O TYR A 182 10.813 -2.279 -3.044 1.00 0.00 O ATOM 499 CB TYR A 182 7.579 -2.263 -4.136 1.00 0.00 C ATOM 500 CG TYR A 182 8.123 -1.157 -5.014 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.623 -1.419 -6.283 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.121 0.158 -4.573 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.108 -0.396 -7.080 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.600 1.178 -5.360 1.00 0.00 C ATOM 505 CZ TYR A 182 9.090 0.901 -6.611 1.00 0.00 C ATOM 506 OH TYR A 182 9.578 1.928 -7.397 1.00 0.00 O ATOM 0 H TYR A 182 6.996 -3.946 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 182 9.173 -3.693 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.936 -2.901 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.950 -1.816 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.634 -2.434 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.735 0.385 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.498 -0.612 -8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.591 2.194 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 182 9.490 2.778 -6.917 1.00 0.00 H new ATOM 516 N ALA A 183 9.227 -1.683 -1.604 1.00 0.00 N ATOM 517 CA ALA A 183 10.111 -0.829 -0.798 1.00 0.00 C ATOM 518 C ALA A 183 11.064 -1.666 0.070 1.00 0.00 C ATOM 519 O ALA A 183 12.037 -1.149 0.655 1.00 0.00 O ATOM 520 CB ALA A 183 9.286 0.103 0.066 1.00 0.00 C ATOM 0 H ALA A 183 8.271 -1.746 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 183 10.722 -0.236 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.950 0.732 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.663 0.732 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.651 -0.483 0.730 1.00 0.00 H new ATOM 526 N GLU A 184 10.761 -2.937 0.168 1.00 0.00 N ATOM 527 CA GLU A 184 11.550 -3.891 0.908 1.00 0.00 C ATOM 528 C GLU A 184 12.787 -4.226 0.073 1.00 0.00 C ATOM 529 O GLU A 184 13.926 -4.060 0.518 1.00 0.00 O ATOM 530 CB GLU A 184 10.671 -5.156 1.145 1.00 0.00 C ATOM 531 CG GLU A 184 11.096 -6.164 2.227 1.00 0.00 C ATOM 532 CD GLU A 184 12.375 -6.910 1.950 1.00 0.00 C ATOM 533 OE1 GLU A 184 12.371 -7.839 1.117 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.400 -6.593 2.588 1.00 0.00 O ATOM 0 H GLU A 184 9.939 -3.347 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 184 11.872 -3.498 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 184 9.664 -4.817 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 184 10.607 -5.695 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 184 11.203 -5.632 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 184 10.293 -6.890 2.359 1.00 0.00 H new ATOM 541 N LYS A 185 12.551 -4.623 -1.155 1.00 0.00 N ATOM 542 CA LYS A 185 13.606 -5.117 -2.016 1.00 0.00 C ATOM 543 C LYS A 185 14.232 -4.014 -2.867 1.00 0.00 C ATOM 544 O LYS A 185 15.399 -4.111 -3.247 1.00 0.00 O ATOM 545 CB LYS A 185 13.054 -6.255 -2.862 1.00 0.00 C ATOM 546 CG LYS A 185 12.351 -7.278 -1.992 1.00 0.00 C ATOM 547 CD LYS A 185 11.800 -8.449 -2.754 1.00 0.00 C ATOM 548 CE LYS A 185 11.008 -9.355 -1.821 1.00 0.00 C ATOM 549 NZ LYS A 185 11.798 -9.771 -0.632 1.00 0.00 N ATOM 0 H LYS A 185 11.627 -4.614 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 185 14.420 -5.494 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.358 -5.860 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.865 -6.733 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.051 -7.643 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.536 -6.788 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.159 -8.097 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.614 -9.010 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 185 10.107 -8.836 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 185 10.684 -10.241 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.404 -10.652 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 12.788 -9.927 -0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 11.755 -9.025 0.091 1.00 0.00 H new ATOM 563 N LYS A 186 13.466 -2.991 -3.176 1.00 0.00 N ATOM 564 CA LYS A 186 13.966 -1.842 -3.902 1.00 0.00 C ATOM 565 C LYS A 186 13.869 -0.632 -2.999 1.00 0.00 C ATOM 566 O LYS A 186 12.823 0.021 -2.927 1.00 0.00 O ATOM 567 CB LYS A 186 13.156 -1.588 -5.184 1.00 0.00 C ATOM 568 CG LYS A 186 13.212 -2.701 -6.212 1.00 0.00 C ATOM 569 CD LYS A 186 12.322 -2.385 -7.403 1.00 0.00 C ATOM 570 CE LYS A 186 12.395 -3.470 -8.464 1.00 0.00 C ATOM 571 NZ LYS A 186 13.748 -3.604 -9.035 1.00 0.00 N ATOM 0 H LYS A 186 12.478 -2.931 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 186 14.999 -2.031 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.115 -1.420 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.516 -0.669 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 186 14.240 -2.840 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 186 12.896 -3.639 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 186 11.291 -2.274 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 186 12.621 -1.431 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 186 12.091 -4.422 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 186 11.687 -3.244 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 13.709 -4.203 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 14.112 -2.664 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 14.379 -4.040 -8.333 1.00 0.00 H new ATOM 585 N ALA A 187 14.916 -0.359 -2.275 1.00 0.00 N ATOM 586 CA ALA A 187 14.896 0.740 -1.342 1.00 0.00 C ATOM 587 C ALA A 187 15.768 1.893 -1.794 1.00 0.00 C ATOM 588 O ALA A 187 16.857 2.112 -1.237 1.00 0.00 O ATOM 589 CB ALA A 187 15.274 0.290 0.058 1.00 0.00 C ATOM 0 H ALA A 187 15.794 -0.878 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 187 13.869 1.104 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.248 1.145 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.567 -0.465 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 187 16.279 -0.133 0.046 1.00 0.00 H new ATOM 595 N LYS A 188 15.304 2.580 -2.841 1.00 0.00 N ATOM 596 CA LYS A 188 15.925 3.780 -3.436 1.00 0.00 C ATOM 597 C LYS A 188 17.340 3.568 -4.007 1.00 0.00 C ATOM 598 O LYS A 188 17.573 3.780 -5.195 1.00 0.00 O ATOM 599 CB LYS A 188 15.875 4.976 -2.473 1.00 0.00 C ATOM 600 CG LYS A 188 14.457 5.428 -2.152 1.00 0.00 C ATOM 601 CD LYS A 188 14.434 6.615 -1.209 1.00 0.00 C ATOM 602 CE LYS A 188 13.007 7.074 -0.966 1.00 0.00 C ATOM 603 NZ LYS A 188 12.929 8.221 -0.034 1.00 0.00 N ATOM 0 H LYS A 188 14.447 2.308 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 188 15.310 4.007 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 188 16.383 4.710 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 188 16.425 5.809 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 188 13.943 5.691 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 188 13.906 4.600 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 188 14.901 6.344 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 188 15.019 7.433 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 188 12.552 7.351 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 188 12.426 6.244 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 11.934 8.495 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 13.338 7.951 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 13.460 9.024 -0.427 1.00 0.00 H new ATOM 617 N LYS A 189 18.268 3.166 -3.183 1.00 0.00 N ATOM 618 CA LYS A 189 19.632 2.997 -3.603 1.00 0.00 C ATOM 619 C LYS A 189 20.372 1.889 -2.797 1.00 0.00 C ATOM 620 O LYS A 189 20.844 0.936 -3.408 1.00 0.00 O ATOM 621 CB LYS A 189 20.392 4.347 -3.582 1.00 0.00 C ATOM 622 CG LYS A 189 21.806 4.332 -4.181 1.00 0.00 C ATOM 623 CD LYS A 189 21.880 4.420 -5.741 1.00 0.00 C ATOM 624 CE LYS A 189 21.239 3.247 -6.512 1.00 0.00 C ATOM 625 NZ LYS A 189 19.784 3.433 -6.803 1.00 0.00 N ATOM 0 H LYS A 189 18.100 2.946 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 189 19.611 2.649 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 189 19.798 5.084 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 189 20.460 4.687 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.368 5.166 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 189 22.307 3.418 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 189 21.397 5.345 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 189 22.928 4.492 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 189 21.772 3.109 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 189 21.369 2.332 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 19.332 2.504 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 19.334 3.940 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 19.673 3.985 -7.677 1.00 0.00 H new ATOM 639 N PRO A 190 20.465 1.973 -1.421 1.00 0.00 N ATOM 640 CA PRO A 190 21.213 0.979 -0.615 1.00 0.00 C ATOM 641 C PRO A 190 20.736 -0.471 -0.783 1.00 0.00 C ATOM 642 O PRO A 190 21.553 -1.386 -0.872 1.00 0.00 O ATOM 643 CB PRO A 190 21.004 1.440 0.840 1.00 0.00 C ATOM 644 CG PRO A 190 19.838 2.359 0.789 1.00 0.00 C ATOM 645 CD PRO A 190 19.911 3.032 -0.543 1.00 0.00 C ATOM 0 HA PRO A 190 22.255 0.951 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 190 20.810 0.593 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 190 21.889 1.947 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 190 18.902 1.811 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 190 19.878 3.088 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 190 18.930 3.365 -0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 190 20.554 3.912 -0.516 1.00 0.00 H new ATOM 653 N ALA A 191 19.434 -0.686 -0.838 1.00 0.00 N ATOM 654 CA ALA A 191 18.925 -2.037 -0.926 1.00 0.00 C ATOM 655 C ALA A 191 18.401 -2.358 -2.301 1.00 0.00 C ATOM 656 O ALA A 191 17.419 -1.732 -2.760 1.00 0.00 O ATOM 657 CB ALA A 191 17.866 -2.308 0.124 1.00 0.00 C ATOM 0 H ALA A 191 18.723 0.045 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 191 19.771 -2.697 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 191 17.509 -3.333 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 191 18.294 -2.167 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 191 17.033 -1.619 -0.013 1.00 0.00 H new ATOM 663 N LEU A 192 19.105 -3.284 -2.958 1.00 0.00 N ATOM 664 CA LEU A 192 18.773 -3.876 -4.257 1.00 0.00 C ATOM 665 C LEU A 192 20.012 -4.583 -4.792 1.00 0.00 C ATOM 666 O LEU A 192 20.800 -3.966 -5.539 1.00 0.00 O ATOM 667 CB LEU A 192 18.281 -2.856 -5.294 1.00 0.00 C ATOM 668 CG LEU A 192 17.880 -3.424 -6.661 1.00 0.00 C ATOM 669 CD1 LEU A 192 16.713 -4.389 -6.534 1.00 0.00 C ATOM 670 CD2 LEU A 192 17.537 -2.309 -7.605 1.00 0.00 C ATOM 671 OXT LEU A 192 20.242 -5.759 -4.431 1.00 0.00 O ATOM 0 H LEU A 192 19.972 -3.662 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 192 17.947 -4.569 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 192 17.423 -2.329 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 192 19.067 -2.116 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 192 18.730 -3.977 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 192 16.451 -4.775 -7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 192 16.994 -5.217 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 192 15.855 -3.868 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 192 17.254 -2.725 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 192 16.705 -1.733 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 192 18.403 -1.658 -7.729 1.00 0.00 H new TER 683 LEU A 192