USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 182 TYR OH : rot 180:sc= 0.909 USER MOD Set 1.2: A 186 LYS NZ :NH3+ -163:sc= 1.4 (180deg=-0.101) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 132:sc= 0.789 USER MOD Single : A 164 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0087) USER MOD Single : A 169 LYS NZ :NH3+ -170:sc=-0.00854 (180deg=-0.109) USER MOD Single : A 173 GLN : amide:sc= 0.301 K(o=0.3,f=-0.26) USER MOD Single : A 181 GLN :FLIP amide:sc= -0.496 F(o=-1.8!,f=-0.5) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ -163:sc= -0.0413 (180deg=-0.26) USER MOD Single : A 189 LYS NZ :NH3+ -165:sc= -0.0258 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -13.727 11.155 -18.110 1.00 0.00 N ATOM 2 CA GLY A 149 -13.818 10.867 -16.681 1.00 0.00 C ATOM 3 C GLY A 149 -15.251 10.905 -16.224 1.00 0.00 C ATOM 4 O GLY A 149 -16.052 11.625 -16.821 1.00 0.00 O ATOM 0 HA2 GLY A 149 -13.390 9.886 -16.474 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -13.232 11.595 -16.120 1.00 0.00 H new ATOM 10 N PRO A 150 -15.632 10.111 -15.200 1.00 0.00 N ATOM 11 CA PRO A 150 -16.999 10.098 -14.693 1.00 0.00 C ATOM 12 C PRO A 150 -17.314 11.278 -13.757 1.00 0.00 C ATOM 13 O PRO A 150 -18.467 11.692 -13.646 1.00 0.00 O ATOM 14 CB PRO A 150 -17.091 8.767 -13.939 1.00 0.00 C ATOM 15 CG PRO A 150 -15.692 8.450 -13.516 1.00 0.00 C ATOM 16 CD PRO A 150 -14.765 9.136 -14.492 1.00 0.00 C ATOM 0 HA PRO A 150 -17.722 10.198 -15.502 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -17.753 8.849 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -17.496 7.981 -14.577 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -15.508 8.800 -12.500 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -15.524 7.373 -13.518 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -13.944 9.635 -13.977 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -14.320 8.423 -15.186 1.00 0.00 H new ATOM 24 N GLY A 151 -16.305 11.799 -13.084 1.00 0.00 N ATOM 25 CA GLY A 151 -16.506 12.909 -12.183 1.00 0.00 C ATOM 26 C GLY A 151 -16.781 12.414 -10.792 1.00 0.00 C ATOM 27 O GLY A 151 -17.555 13.012 -10.036 1.00 0.00 O ATOM 0 H GLY A 151 -15.342 11.470 -13.147 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -15.622 13.547 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -17.340 13.520 -12.529 1.00 0.00 H new ATOM 31 N SER A 152 -16.147 11.339 -10.442 1.00 0.00 N ATOM 32 CA SER A 152 -16.359 10.702 -9.185 1.00 0.00 C ATOM 33 C SER A 152 -15.036 10.618 -8.449 1.00 0.00 C ATOM 34 O SER A 152 -14.081 10.072 -8.968 1.00 0.00 O ATOM 35 CB SER A 152 -16.967 9.319 -9.411 1.00 0.00 C ATOM 36 OG SER A 152 -18.156 9.421 -10.186 1.00 0.00 O ATOM 0 H SER A 152 -15.457 10.874 -11.032 1.00 0.00 H new ATOM 0 HA SER A 152 -17.056 11.277 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 152 -16.248 8.677 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 152 -17.189 8.851 -8.452 1.00 0.00 H new ATOM 0 HG SER A 152 -18.534 8.527 -10.325 1.00 0.00 H new ATOM 42 N GLU A 153 -15.001 11.141 -7.239 1.00 0.00 N ATOM 43 CA GLU A 153 -13.767 11.278 -6.468 1.00 0.00 C ATOM 44 C GLU A 153 -12.985 9.968 -6.249 1.00 0.00 C ATOM 45 O GLU A 153 -11.783 9.978 -6.332 1.00 0.00 O ATOM 46 CB GLU A 153 -14.005 12.043 -5.161 1.00 0.00 C ATOM 47 CG GLU A 153 -15.060 11.445 -4.249 1.00 0.00 C ATOM 48 CD GLU A 153 -15.308 12.294 -3.037 1.00 0.00 C ATOM 49 OE1 GLU A 153 -14.555 12.177 -2.047 1.00 0.00 O ATOM 50 OE2 GLU A 153 -16.252 13.099 -3.044 1.00 0.00 O ATOM 0 H GLU A 153 -15.829 11.487 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 153 -13.106 11.875 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -13.064 12.099 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -14.294 13.066 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -15.991 11.325 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -14.745 10.450 -3.935 1.00 0.00 H new ATOM 57 N ASP A 154 -13.668 8.853 -6.021 1.00 0.00 N ATOM 58 CA ASP A 154 -12.958 7.560 -5.805 1.00 0.00 C ATOM 59 C ASP A 154 -12.537 6.925 -7.119 1.00 0.00 C ATOM 60 O ASP A 154 -11.644 6.079 -7.158 1.00 0.00 O ATOM 61 CB ASP A 154 -13.802 6.535 -5.014 1.00 0.00 C ATOM 62 CG ASP A 154 -14.031 6.894 -3.564 1.00 0.00 C ATOM 63 OD1 ASP A 154 -13.188 6.538 -2.699 1.00 0.00 O ATOM 64 OD2 ASP A 154 -15.090 7.506 -3.252 1.00 0.00 O ATOM 0 H ASP A 154 -14.686 8.797 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 154 -12.077 7.813 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -14.769 6.425 -5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -13.308 5.564 -5.061 1.00 0.00 H new ATOM 69 N ASP A 155 -13.183 7.324 -8.190 1.00 0.00 N ATOM 70 CA ASP A 155 -12.910 6.753 -9.506 1.00 0.00 C ATOM 71 C ASP A 155 -11.849 7.547 -10.219 1.00 0.00 C ATOM 72 O ASP A 155 -10.870 7.000 -10.725 1.00 0.00 O ATOM 73 CB ASP A 155 -14.180 6.693 -10.377 1.00 0.00 C ATOM 74 CG ASP A 155 -15.212 5.690 -9.898 1.00 0.00 C ATOM 75 OD1 ASP A 155 -16.057 6.031 -9.032 1.00 0.00 O ATOM 76 OD2 ASP A 155 -15.223 4.542 -10.406 1.00 0.00 O ATOM 0 H ASP A 155 -13.905 8.044 -8.184 1.00 0.00 H new ATOM 0 HA ASP A 155 -12.556 5.735 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -14.636 7.683 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -13.895 6.445 -11.399 1.00 0.00 H new ATOM 81 N ASP A 156 -12.055 8.842 -10.260 1.00 0.00 N ATOM 82 CA ASP A 156 -11.142 9.778 -10.890 1.00 0.00 C ATOM 83 C ASP A 156 -9.857 9.863 -10.140 1.00 0.00 C ATOM 84 O ASP A 156 -8.786 9.831 -10.732 1.00 0.00 O ATOM 85 CB ASP A 156 -11.766 11.170 -11.012 1.00 0.00 C ATOM 86 CG ASP A 156 -12.753 11.274 -12.141 1.00 0.00 C ATOM 87 OD1 ASP A 156 -13.923 10.902 -11.979 1.00 0.00 O ATOM 88 OD2 ASP A 156 -12.356 11.754 -13.225 1.00 0.00 O ATOM 0 H ASP A 156 -12.876 9.287 -9.850 1.00 0.00 H new ATOM 0 HA ASP A 156 -10.938 9.402 -11.893 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -12.265 11.422 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -10.975 11.905 -11.159 1.00 0.00 H new ATOM 93 N ILE A 157 -9.956 9.984 -8.844 1.00 0.00 N ATOM 94 CA ILE A 157 -8.801 10.052 -8.007 1.00 0.00 C ATOM 95 C ILE A 157 -8.619 8.698 -7.355 1.00 0.00 C ATOM 96 O ILE A 157 -9.413 8.308 -6.497 1.00 0.00 O ATOM 97 CB ILE A 157 -8.994 11.112 -6.892 1.00 0.00 C ATOM 98 CG1 ILE A 157 -9.453 12.459 -7.487 1.00 0.00 C ATOM 99 CG2 ILE A 157 -7.716 11.287 -6.068 1.00 0.00 C ATOM 100 CD1 ILE A 157 -8.461 13.124 -8.422 1.00 0.00 C ATOM 0 H ILE A 157 -10.843 10.038 -8.343 1.00 0.00 H new ATOM 0 HA ILE A 157 -7.934 10.327 -8.608 1.00 0.00 H new ATOM 0 HB ILE A 157 -9.776 10.753 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -10.386 12.300 -8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -9.671 13.144 -6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -7.882 12.036 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.450 10.338 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.905 11.612 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -8.877 14.063 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -7.533 13.322 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -8.259 12.465 -9.266 1.00 0.00 H new ATOM 112 N ASP A 158 -7.613 7.965 -7.762 1.00 0.00 N ATOM 113 CA ASP A 158 -7.361 6.671 -7.159 1.00 0.00 C ATOM 114 C ASP A 158 -6.617 6.868 -5.875 1.00 0.00 C ATOM 115 O ASP A 158 -5.404 6.672 -5.803 1.00 0.00 O ATOM 116 CB ASP A 158 -6.573 5.715 -8.056 1.00 0.00 C ATOM 117 CG ASP A 158 -7.241 5.393 -9.363 1.00 0.00 C ATOM 118 OD1 ASP A 158 -8.106 4.487 -9.397 1.00 0.00 O ATOM 119 OD2 ASP A 158 -6.885 6.021 -10.392 1.00 0.00 O ATOM 0 H ASP A 158 -6.960 8.233 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 158 -8.333 6.208 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -5.595 6.151 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -6.400 4.786 -7.512 1.00 0.00 H new ATOM 124 N LEU A 159 -7.335 7.346 -4.891 1.00 0.00 N ATOM 125 CA LEU A 159 -6.802 7.601 -3.574 1.00 0.00 C ATOM 126 C LEU A 159 -6.411 6.252 -2.970 1.00 0.00 C ATOM 127 O LEU A 159 -5.301 6.075 -2.451 1.00 0.00 O ATOM 128 CB LEU A 159 -7.898 8.315 -2.743 1.00 0.00 C ATOM 129 CG LEU A 159 -7.502 9.046 -1.436 1.00 0.00 C ATOM 130 CD1 LEU A 159 -8.706 9.790 -0.887 1.00 0.00 C ATOM 131 CD2 LEU A 159 -6.972 8.094 -0.374 1.00 0.00 C ATOM 0 H LEU A 159 -8.325 7.574 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 159 -5.921 8.243 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -8.379 9.045 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.652 7.571 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 159 -6.700 9.742 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -8.427 10.304 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -9.049 10.519 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -9.507 9.081 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.709 8.658 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -7.739 7.360 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -6.088 7.582 -0.753 1.00 0.00 H new ATOM 143 N PHE A 160 -7.325 5.312 -3.095 1.00 0.00 N ATOM 144 CA PHE A 160 -7.170 3.951 -2.639 1.00 0.00 C ATOM 145 C PHE A 160 -8.460 3.225 -2.941 1.00 0.00 C ATOM 146 O PHE A 160 -9.528 3.854 -3.024 1.00 0.00 O ATOM 147 CB PHE A 160 -6.868 3.883 -1.118 1.00 0.00 C ATOM 148 CG PHE A 160 -6.535 2.497 -0.613 1.00 0.00 C ATOM 149 CD1 PHE A 160 -5.280 1.953 -0.837 1.00 0.00 C ATOM 150 CD2 PHE A 160 -7.475 1.740 0.077 1.00 0.00 C ATOM 151 CE1 PHE A 160 -4.968 0.685 -0.385 1.00 0.00 C ATOM 152 CE2 PHE A 160 -7.166 0.471 0.531 1.00 0.00 C ATOM 153 CZ PHE A 160 -5.912 -0.058 0.298 1.00 0.00 C ATOM 0 H PHE A 160 -8.229 5.484 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 160 -6.325 3.490 -3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -6.034 4.549 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -7.732 4.259 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -4.537 2.527 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -8.458 2.148 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.986 0.274 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -7.905 -0.106 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 160 -5.669 -1.050 0.649 1.00 0.00 H new ATOM 163 N GLY A 161 -8.360 1.956 -3.149 1.00 0.00 N ATOM 164 CA GLY A 161 -9.493 1.137 -3.383 1.00 0.00 C ATOM 165 C GLY A 161 -9.081 -0.016 -4.217 1.00 0.00 C ATOM 166 O GLY A 161 -7.928 -0.051 -4.689 1.00 0.00 O ATOM 0 H GLY A 161 -7.473 1.453 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.910 0.790 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.274 1.707 -3.886 1.00 0.00 H new ATOM 170 N SER A 162 -9.939 -0.967 -4.379 1.00 0.00 N ATOM 171 CA SER A 162 -9.650 -2.060 -5.225 1.00 0.00 C ATOM 172 C SER A 162 -9.903 -1.673 -6.674 1.00 0.00 C ATOM 173 O SER A 162 -10.953 -1.114 -7.017 1.00 0.00 O ATOM 174 CB SER A 162 -10.428 -3.271 -4.784 1.00 0.00 C ATOM 175 OG SER A 162 -11.733 -2.908 -4.386 1.00 0.00 O ATOM 0 H SER A 162 -10.853 -1.003 -3.929 1.00 0.00 H new ATOM 0 HA SER A 162 -8.595 -2.326 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 162 -10.479 -3.993 -5.599 1.00 0.00 H new ATOM 0 HB3 SER A 162 -9.913 -3.759 -3.957 1.00 0.00 H new ATOM 0 HG SER A 162 -12.383 -3.503 -4.815 1.00 0.00 H new ATOM 181 N ASP A 163 -8.939 -1.962 -7.500 1.00 0.00 N ATOM 182 CA ASP A 163 -8.901 -1.524 -8.891 1.00 0.00 C ATOM 183 C ASP A 163 -9.776 -2.352 -9.819 1.00 0.00 C ATOM 184 O ASP A 163 -9.862 -2.060 -11.008 1.00 0.00 O ATOM 185 CB ASP A 163 -7.461 -1.552 -9.390 1.00 0.00 C ATOM 186 CG ASP A 163 -6.865 -2.938 -9.338 1.00 0.00 C ATOM 187 OD1 ASP A 163 -6.578 -3.441 -8.223 1.00 0.00 O ATOM 188 OD2 ASP A 163 -6.660 -3.561 -10.399 1.00 0.00 O ATOM 0 H ASP A 163 -8.131 -2.523 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.304 -0.511 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.426 -1.182 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -6.856 -0.876 -8.786 1.00 0.00 H new ATOM 193 N ASN A 164 -10.426 -3.360 -9.306 1.00 0.00 N ATOM 194 CA ASN A 164 -11.278 -4.168 -10.160 1.00 0.00 C ATOM 195 C ASN A 164 -12.740 -3.932 -9.827 1.00 0.00 C ATOM 196 O ASN A 164 -13.450 -3.260 -10.571 1.00 0.00 O ATOM 197 CB ASN A 164 -10.892 -5.650 -10.061 1.00 0.00 C ATOM 198 CG ASN A 164 -11.799 -6.558 -10.863 1.00 0.00 C ATOM 199 OD1 ASN A 164 -11.617 -6.718 -12.086 1.00 0.00 O ATOM 200 ND2 ASN A 164 -12.705 -7.218 -10.196 1.00 0.00 N ATOM 0 H ASN A 164 -10.391 -3.644 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 164 -11.130 -3.866 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -9.866 -5.775 -10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -10.916 -5.956 -9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -13.298 -7.896 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -12.821 -7.056 -9.196 1.00 0.00 H new ATOM 207 N GLU A 165 -13.159 -4.433 -8.707 1.00 0.00 N ATOM 208 CA GLU A 165 -14.464 -4.193 -8.186 1.00 0.00 C ATOM 209 C GLU A 165 -14.233 -3.693 -6.795 1.00 0.00 C ATOM 210 O GLU A 165 -13.244 -4.088 -6.175 1.00 0.00 O ATOM 211 CB GLU A 165 -15.284 -5.499 -8.175 1.00 0.00 C ATOM 212 CG GLU A 165 -16.697 -5.358 -7.643 1.00 0.00 C ATOM 213 CD GLU A 165 -17.494 -4.337 -8.405 1.00 0.00 C ATOM 214 OE1 GLU A 165 -17.381 -3.141 -8.091 1.00 0.00 O ATOM 215 OE2 GLU A 165 -18.252 -4.726 -9.334 1.00 0.00 O ATOM 0 H GLU A 165 -12.586 -5.036 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 165 -15.028 -3.479 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -15.331 -5.891 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -14.756 -6.238 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -17.201 -6.323 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -16.660 -5.076 -6.591 1.00 0.00 H new ATOM 222 N GLU A 166 -15.090 -2.851 -6.279 1.00 0.00 N ATOM 223 CA GLU A 166 -14.847 -2.272 -4.962 1.00 0.00 C ATOM 224 C GLU A 166 -15.025 -3.291 -3.833 1.00 0.00 C ATOM 225 O GLU A 166 -14.612 -3.056 -2.701 1.00 0.00 O ATOM 226 CB GLU A 166 -15.654 -1.008 -4.713 1.00 0.00 C ATOM 227 CG GLU A 166 -17.143 -1.187 -4.733 1.00 0.00 C ATOM 228 CD GLU A 166 -17.844 0.074 -4.344 1.00 0.00 C ATOM 229 OE1 GLU A 166 -17.975 0.339 -3.130 1.00 0.00 O ATOM 230 OE2 GLU A 166 -18.245 0.834 -5.222 1.00 0.00 O ATOM 0 H GLU A 166 -15.952 -2.548 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 166 -13.798 -1.975 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -15.366 -0.597 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -15.383 -0.269 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -17.462 -1.491 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -17.425 -1.988 -4.050 1.00 0.00 H new ATOM 237 N GLU A 167 -15.643 -4.408 -4.145 1.00 0.00 N ATOM 238 CA GLU A 167 -15.818 -5.488 -3.188 1.00 0.00 C ATOM 239 C GLU A 167 -14.487 -6.239 -2.975 1.00 0.00 C ATOM 240 O GLU A 167 -14.240 -6.771 -1.889 1.00 0.00 O ATOM 241 CB GLU A 167 -16.888 -6.469 -3.679 1.00 0.00 C ATOM 242 CG GLU A 167 -17.206 -7.573 -2.689 1.00 0.00 C ATOM 243 CD GLU A 167 -18.133 -8.614 -3.243 1.00 0.00 C ATOM 244 OE1 GLU A 167 -17.646 -9.584 -3.857 1.00 0.00 O ATOM 245 OE2 GLU A 167 -19.367 -8.500 -3.058 1.00 0.00 O ATOM 0 H GLU A 167 -16.039 -4.597 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 167 -16.139 -5.055 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.801 -5.916 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -16.554 -6.918 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -16.277 -8.051 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -17.654 -7.135 -1.797 1.00 0.00 H new ATOM 252 N ASP A 168 -13.632 -6.246 -4.014 1.00 0.00 N ATOM 253 CA ASP A 168 -12.351 -6.993 -4.007 1.00 0.00 C ATOM 254 C ASP A 168 -11.462 -6.625 -2.833 1.00 0.00 C ATOM 255 O ASP A 168 -10.759 -5.614 -2.849 1.00 0.00 O ATOM 256 CB ASP A 168 -11.536 -6.816 -5.306 1.00 0.00 C ATOM 257 CG ASP A 168 -12.081 -7.509 -6.530 1.00 0.00 C ATOM 258 OD1 ASP A 168 -11.990 -8.754 -6.608 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.519 -6.831 -7.459 1.00 0.00 O ATOM 0 H ASP A 168 -13.804 -5.737 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.654 -8.036 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -11.459 -5.750 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.524 -7.179 -5.128 1.00 0.00 H new ATOM 264 N LYS A 169 -11.490 -7.438 -1.823 1.00 0.00 N ATOM 265 CA LYS A 169 -10.675 -7.220 -0.657 1.00 0.00 C ATOM 266 C LYS A 169 -9.267 -7.694 -0.966 1.00 0.00 C ATOM 267 O LYS A 169 -8.283 -7.035 -0.620 1.00 0.00 O ATOM 268 CB LYS A 169 -11.268 -7.969 0.542 1.00 0.00 C ATOM 269 CG LYS A 169 -10.550 -7.735 1.861 1.00 0.00 C ATOM 270 CD LYS A 169 -11.271 -8.444 2.993 1.00 0.00 C ATOM 271 CE LYS A 169 -10.572 -8.271 4.331 1.00 0.00 C ATOM 272 NZ LYS A 169 -9.218 -8.861 4.340 1.00 0.00 N ATOM 0 H LYS A 169 -12.076 -8.272 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.647 -6.161 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.311 -7.675 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.260 -9.037 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.524 -8.097 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.498 -6.666 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.289 -8.061 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.347 -9.506 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -10.504 -7.209 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -11.172 -8.734 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.850 -8.870 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -9.261 -9.835 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.588 -8.294 3.736 1.00 0.00 H new ATOM 286 N GLU A 170 -9.185 -8.805 -1.696 1.00 0.00 N ATOM 287 CA GLU A 170 -7.903 -9.383 -2.077 1.00 0.00 C ATOM 288 C GLU A 170 -7.117 -8.417 -2.968 1.00 0.00 C ATOM 289 O GLU A 170 -5.910 -8.263 -2.809 1.00 0.00 O ATOM 290 CB GLU A 170 -8.083 -10.748 -2.777 1.00 0.00 C ATOM 291 CG GLU A 170 -8.873 -10.704 -4.084 1.00 0.00 C ATOM 292 CD GLU A 170 -8.964 -12.049 -4.754 1.00 0.00 C ATOM 293 OE1 GLU A 170 -8.048 -12.402 -5.503 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.960 -12.777 -4.558 1.00 0.00 O ATOM 0 H GLU A 170 -9.996 -9.322 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.333 -9.553 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -7.098 -11.168 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -8.585 -11.429 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -9.878 -10.334 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -8.402 -9.995 -4.765 1.00 0.00 H new ATOM 301 N ALA A 171 -7.827 -7.724 -3.857 1.00 0.00 N ATOM 302 CA ALA A 171 -7.199 -6.797 -4.782 1.00 0.00 C ATOM 303 C ALA A 171 -6.620 -5.614 -4.045 1.00 0.00 C ATOM 304 O ALA A 171 -5.511 -5.199 -4.316 1.00 0.00 O ATOM 305 CB ALA A 171 -8.171 -6.339 -5.852 1.00 0.00 C ATOM 0 H ALA A 171 -8.840 -7.791 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.385 -7.325 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.669 -5.646 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.525 -7.202 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -9.019 -5.839 -5.384 1.00 0.00 H new ATOM 311 N ALA A 172 -7.358 -5.102 -3.079 1.00 0.00 N ATOM 312 CA ALA A 172 -6.895 -3.969 -2.297 1.00 0.00 C ATOM 313 C ALA A 172 -5.689 -4.379 -1.463 1.00 0.00 C ATOM 314 O ALA A 172 -4.711 -3.634 -1.341 1.00 0.00 O ATOM 315 CB ALA A 172 -8.015 -3.440 -1.411 1.00 0.00 C ATOM 0 H ALA A 172 -8.280 -5.451 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.596 -3.167 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.651 -2.591 -0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.852 -3.123 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.345 -4.227 -0.733 1.00 0.00 H new ATOM 321 N GLN A 173 -5.743 -5.593 -0.943 1.00 0.00 N ATOM 322 CA GLN A 173 -4.684 -6.116 -0.127 1.00 0.00 C ATOM 323 C GLN A 173 -3.410 -6.360 -0.942 1.00 0.00 C ATOM 324 O GLN A 173 -2.316 -6.003 -0.493 1.00 0.00 O ATOM 325 CB GLN A 173 -5.122 -7.389 0.603 1.00 0.00 C ATOM 326 CG GLN A 173 -4.092 -7.918 1.596 1.00 0.00 C ATOM 327 CD GLN A 173 -3.703 -6.874 2.629 1.00 0.00 C ATOM 328 OE1 GLN A 173 -4.333 -6.740 3.672 1.00 0.00 O ATOM 329 NE2 GLN A 173 -2.665 -6.140 2.354 1.00 0.00 N ATOM 0 H GLN A 173 -6.524 -6.235 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.453 -5.361 0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.054 -7.190 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.333 -8.164 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -4.495 -8.795 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -3.202 -8.242 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -2.162 -6.276 1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -2.354 -5.428 3.015 1.00 0.00 H new ATOM 338 N LEU A 174 -3.532 -6.932 -2.139 1.00 0.00 N ATOM 339 CA LEU A 174 -2.356 -7.179 -2.964 1.00 0.00 C ATOM 340 C LEU A 174 -1.695 -5.862 -3.393 1.00 0.00 C ATOM 341 O LEU A 174 -0.477 -5.796 -3.567 1.00 0.00 O ATOM 342 CB LEU A 174 -2.678 -8.123 -4.151 1.00 0.00 C ATOM 343 CG LEU A 174 -3.699 -7.650 -5.197 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.069 -6.759 -6.259 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.420 -8.826 -5.822 1.00 0.00 C ATOM 0 H LEU A 174 -4.417 -7.228 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.619 -7.708 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -1.744 -8.336 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.036 -9.066 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.435 -7.040 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -3.831 -6.451 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.639 -5.877 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.285 -7.310 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.137 -8.463 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.696 -9.479 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -4.946 -9.384 -5.047 1.00 0.00 H new ATOM 357 N ARG A 175 -2.502 -4.803 -3.513 1.00 0.00 N ATOM 358 CA ARG A 175 -1.983 -3.485 -3.834 1.00 0.00 C ATOM 359 C ARG A 175 -1.091 -2.982 -2.694 1.00 0.00 C ATOM 360 O ARG A 175 -0.008 -2.435 -2.937 1.00 0.00 O ATOM 361 CB ARG A 175 -3.112 -2.483 -4.160 1.00 0.00 C ATOM 362 CG ARG A 175 -3.942 -2.847 -5.396 1.00 0.00 C ATOM 363 CD ARG A 175 -3.070 -3.029 -6.632 1.00 0.00 C ATOM 364 NE ARG A 175 -3.836 -3.419 -7.823 1.00 0.00 N ATOM 365 CZ ARG A 175 -3.296 -3.868 -8.971 1.00 0.00 C ATOM 366 NH1 ARG A 175 -1.983 -4.034 -9.082 1.00 0.00 N ATOM 367 NH2 ARG A 175 -4.068 -4.164 -9.998 1.00 0.00 N ATOM 0 H ARG A 175 -3.514 -4.840 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.377 -3.568 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.777 -2.410 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.674 -1.496 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.496 -3.766 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.678 -2.065 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -2.540 -2.099 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -2.314 -3.788 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.852 -3.344 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.373 -3.821 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.584 -4.375 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -5.079 -4.053 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.654 -4.504 -10.866 1.00 0.00 H new ATOM 381 N GLU A 176 -1.521 -3.217 -1.463 1.00 0.00 N ATOM 382 CA GLU A 176 -0.722 -2.873 -0.290 1.00 0.00 C ATOM 383 C GLU A 176 0.517 -3.773 -0.218 1.00 0.00 C ATOM 384 O GLU A 176 1.643 -3.294 -0.059 1.00 0.00 O ATOM 385 CB GLU A 176 -1.552 -3.000 1.007 1.00 0.00 C ATOM 386 CG GLU A 176 -0.735 -2.804 2.290 1.00 0.00 C ATOM 387 CD GLU A 176 -1.555 -2.915 3.551 1.00 0.00 C ATOM 388 OE1 GLU A 176 -2.002 -4.033 3.904 1.00 0.00 O ATOM 389 OE2 GLU A 176 -1.748 -1.900 4.239 1.00 0.00 O ATOM 0 H GLU A 176 -2.421 -3.646 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.405 -1.834 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.357 -2.265 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -2.019 -3.984 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 176 0.063 -3.546 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -0.259 -1.824 2.261 1.00 0.00 H new ATOM 396 N GLU A 177 0.302 -5.071 -0.384 1.00 0.00 N ATOM 397 CA GLU A 177 1.370 -6.054 -0.298 1.00 0.00 C ATOM 398 C GLU A 177 2.487 -5.825 -1.297 1.00 0.00 C ATOM 399 O GLU A 177 3.665 -5.968 -0.941 1.00 0.00 O ATOM 400 CB GLU A 177 0.842 -7.480 -0.389 1.00 0.00 C ATOM 401 CG GLU A 177 0.096 -7.931 0.853 1.00 0.00 C ATOM 402 CD GLU A 177 0.955 -7.831 2.095 1.00 0.00 C ATOM 403 OE1 GLU A 177 2.103 -8.290 2.071 1.00 0.00 O ATOM 404 OE2 GLU A 177 0.505 -7.270 3.113 1.00 0.00 O ATOM 0 H GLU A 177 -0.616 -5.470 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 177 1.808 -5.915 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.178 -7.559 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.677 -8.157 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.799 -7.322 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.236 -8.961 0.723 1.00 0.00 H new ATOM 411 N ARG A 178 2.145 -5.463 -2.531 1.00 0.00 N ATOM 412 CA ARG A 178 3.178 -5.207 -3.522 1.00 0.00 C ATOM 413 C ARG A 178 4.033 -4.015 -3.110 1.00 0.00 C ATOM 414 O ARG A 178 5.244 -4.061 -3.217 1.00 0.00 O ATOM 415 CB ARG A 178 2.630 -5.028 -4.956 1.00 0.00 C ATOM 416 CG ARG A 178 1.759 -3.808 -5.196 1.00 0.00 C ATOM 417 CD ARG A 178 1.437 -3.664 -6.670 1.00 0.00 C ATOM 418 NE ARG A 178 0.591 -2.494 -6.946 1.00 0.00 N ATOM 419 CZ ARG A 178 0.403 -1.954 -8.158 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.167 -2.318 -9.180 1.00 0.00 N ATOM 421 NH2 ARG A 178 -0.516 -1.015 -8.330 1.00 0.00 N ATOM 0 H ARG A 178 1.187 -5.344 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 178 3.801 -6.101 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.476 -4.985 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.054 -5.916 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.836 -3.895 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 178 2.271 -2.914 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 178 2.365 -3.580 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.932 -4.565 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 178 0.112 -2.061 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.902 -3.012 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.019 -1.904 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -1.080 -0.703 -7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -0.659 -0.604 -9.253 1.00 0.00 H new ATOM 435 N LEU A 179 3.392 -2.976 -2.563 1.00 0.00 N ATOM 436 CA LEU A 179 4.117 -1.784 -2.124 1.00 0.00 C ATOM 437 C LEU A 179 5.067 -2.125 -0.978 1.00 0.00 C ATOM 438 O LEU A 179 6.176 -1.598 -0.896 1.00 0.00 O ATOM 439 CB LEU A 179 3.152 -0.671 -1.698 1.00 0.00 C ATOM 440 CG LEU A 179 2.200 -0.138 -2.779 1.00 0.00 C ATOM 441 CD1 LEU A 179 1.281 0.924 -2.197 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.977 0.424 -3.968 1.00 0.00 C ATOM 0 H LEU A 179 2.383 -2.938 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 179 4.701 -1.421 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.552 -1.040 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.741 0.165 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 179 1.594 -0.971 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 179 0.612 1.292 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 179 0.693 0.492 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 179 1.878 1.750 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.278 0.794 -4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 179 3.615 1.241 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.594 -0.362 -4.404 1.00 0.00 H new ATOM 454 N ARG A 180 4.630 -3.026 -0.115 1.00 0.00 N ATOM 455 CA ARG A 180 5.433 -3.472 1.016 1.00 0.00 C ATOM 456 C ARG A 180 6.684 -4.210 0.555 1.00 0.00 C ATOM 457 O ARG A 180 7.797 -3.884 0.980 1.00 0.00 O ATOM 458 CB ARG A 180 4.635 -4.393 1.927 1.00 0.00 C ATOM 459 CG ARG A 180 3.419 -3.772 2.577 1.00 0.00 C ATOM 460 CD ARG A 180 2.742 -4.772 3.490 1.00 0.00 C ATOM 461 NE ARG A 180 3.645 -5.224 4.564 1.00 0.00 N ATOM 462 CZ ARG A 180 3.509 -6.358 5.267 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.531 -7.215 4.985 1.00 0.00 N ATOM 464 NH2 ARG A 180 4.386 -6.651 6.228 1.00 0.00 N ATOM 0 H ARG A 180 3.713 -3.469 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 180 5.724 -2.576 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.314 -5.259 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 180 5.296 -4.762 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 180 3.713 -2.891 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 180 2.720 -3.438 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 180 1.852 -4.321 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.410 -5.631 2.907 1.00 0.00 H new ATOM 0 HE ARG A 180 4.439 -4.625 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.877 -7.012 4.229 1.00 0.00 H new ATOM 0 HH12 ARG A 180 2.435 -8.075 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 180 5.157 -6.013 6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 180 4.286 -7.513 6.765 1.00 0.00 H new ATOM 478 N GLN A 181 6.502 -5.179 -0.335 1.00 0.00 N ATOM 479 CA GLN A 181 7.607 -6.025 -0.785 1.00 0.00 C ATOM 480 C GLN A 181 8.529 -5.252 -1.711 1.00 0.00 C ATOM 481 O GLN A 181 9.730 -5.523 -1.797 1.00 0.00 O ATOM 482 CB GLN A 181 7.065 -7.323 -1.436 1.00 0.00 C ATOM 483 CG GLN A 181 6.412 -7.165 -2.816 1.00 0.00 C ATOM 484 CD GLN A 181 7.412 -7.211 -3.971 1.00 0.00 C ATOM 485 OE1 GLN A 181 8.417 -8.036 -3.856 1.00 0.00 O flip ATOM 486 NE2 GLN A 181 7.239 -6.546 -4.981 1.00 0.00 N flip ATOM 0 H GLN A 181 5.602 -5.400 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 181 8.202 -6.324 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 181 7.888 -8.032 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.334 -7.767 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.674 -7.955 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 181 5.874 -6.217 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.444 -5.909 -5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 181 7.889 -6.627 -5.763 1.00 0.00 H new ATOM 495 N TYR A 182 7.963 -4.278 -2.392 1.00 0.00 N ATOM 496 CA TYR A 182 8.720 -3.442 -3.288 1.00 0.00 C ATOM 497 C TYR A 182 9.693 -2.604 -2.474 1.00 0.00 C ATOM 498 O TYR A 182 10.861 -2.455 -2.840 1.00 0.00 O ATOM 499 CB TYR A 182 7.792 -2.540 -4.108 1.00 0.00 C ATOM 500 CG TYR A 182 8.468 -1.924 -5.297 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.489 -2.593 -6.507 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.108 -0.695 -5.213 1.00 0.00 C ATOM 503 CE1 TYR A 182 9.127 -2.067 -7.595 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.743 -0.155 -6.306 1.00 0.00 C ATOM 505 CZ TYR A 182 9.750 -0.850 -7.494 1.00 0.00 C ATOM 506 OH TYR A 182 10.410 -0.342 -8.578 1.00 0.00 O ATOM 0 H TYR A 182 6.971 -4.047 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 182 9.272 -4.071 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.935 -3.123 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 182 7.406 -1.748 -3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 182 7.992 -3.548 -6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 182 9.107 -0.156 -4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.140 -2.607 -8.530 1.00 0.00 H new ATOM 0 HE2 TYR A 182 10.232 0.805 -6.233 1.00 0.00 H new ATOM 0 HH TYR A 182 10.798 0.528 -8.347 1.00 0.00 H new ATOM 516 N ALA A 183 9.218 -2.113 -1.335 1.00 0.00 N ATOM 517 CA ALA A 183 10.033 -1.329 -0.425 1.00 0.00 C ATOM 518 C ALA A 183 11.075 -2.210 0.268 1.00 0.00 C ATOM 519 O ALA A 183 12.040 -1.710 0.838 1.00 0.00 O ATOM 520 CB ALA A 183 9.156 -0.625 0.601 1.00 0.00 C ATOM 0 H ALA A 183 8.257 -2.249 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 183 10.562 -0.572 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 183 9.782 -0.041 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 183 8.458 0.038 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 183 8.599 -1.367 1.173 1.00 0.00 H new ATOM 526 N GLU A 184 10.853 -3.511 0.238 1.00 0.00 N ATOM 527 CA GLU A 184 11.789 -4.473 0.791 1.00 0.00 C ATOM 528 C GLU A 184 12.948 -4.700 -0.160 1.00 0.00 C ATOM 529 O GLU A 184 14.110 -4.635 0.223 1.00 0.00 O ATOM 530 CB GLU A 184 11.125 -5.816 1.035 1.00 0.00 C ATOM 531 CG GLU A 184 10.095 -5.860 2.138 1.00 0.00 C ATOM 532 CD GLU A 184 9.600 -7.265 2.362 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.240 -8.006 3.116 1.00 0.00 O ATOM 534 OE2 GLU A 184 8.594 -7.666 1.757 1.00 0.00 O ATOM 0 H GLU A 184 10.018 -3.931 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 184 12.143 -4.059 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.648 -6.136 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.902 -6.546 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.528 -5.472 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.256 -5.212 1.883 1.00 0.00 H new ATOM 541 N LYS A 185 12.624 -5.003 -1.393 1.00 0.00 N ATOM 542 CA LYS A 185 13.641 -5.301 -2.391 1.00 0.00 C ATOM 543 C LYS A 185 14.345 -4.060 -2.933 1.00 0.00 C ATOM 544 O LYS A 185 15.533 -4.108 -3.253 1.00 0.00 O ATOM 545 CB LYS A 185 13.102 -6.202 -3.493 1.00 0.00 C ATOM 546 CG LYS A 185 12.725 -7.574 -2.967 1.00 0.00 C ATOM 547 CD LYS A 185 12.347 -8.536 -4.067 1.00 0.00 C ATOM 548 CE LYS A 185 12.092 -9.916 -3.491 1.00 0.00 C ATOM 549 NZ LYS A 185 11.809 -10.918 -4.535 1.00 0.00 N ATOM 0 H LYS A 185 11.665 -5.052 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 185 14.419 -5.861 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.229 -5.735 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.853 -6.307 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.562 -7.985 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 185 11.890 -7.476 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.455 -8.179 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 185 13.145 -8.585 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.961 -10.232 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 185 11.251 -9.868 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 11.642 -11.844 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 10.964 -10.633 -5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.621 -10.985 -5.181 1.00 0.00 H new ATOM 563 N LYS A 186 13.639 -2.954 -3.016 1.00 0.00 N ATOM 564 CA LYS A 186 14.258 -1.698 -3.423 1.00 0.00 C ATOM 565 C LYS A 186 14.616 -0.856 -2.205 1.00 0.00 C ATOM 566 O LYS A 186 14.710 0.376 -2.301 1.00 0.00 O ATOM 567 CB LYS A 186 13.382 -0.874 -4.398 1.00 0.00 C ATOM 568 CG LYS A 186 13.497 -1.258 -5.880 1.00 0.00 C ATOM 569 CD LYS A 186 12.790 -2.551 -6.239 1.00 0.00 C ATOM 570 CE LYS A 186 13.052 -2.930 -7.702 1.00 0.00 C ATOM 571 NZ LYS A 186 12.770 -1.814 -8.660 1.00 0.00 N ATOM 0 H LYS A 186 12.642 -2.892 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 186 15.166 -1.967 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 186 12.340 -0.975 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 186 13.644 0.179 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 186 13.086 -0.451 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 186 14.552 -1.348 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 186 13.134 -3.352 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 186 11.718 -2.442 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.092 -3.239 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 186 12.435 -3.790 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 12.683 -2.197 -9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 11.882 -1.344 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.549 -1.125 -8.630 1.00 0.00 H new ATOM 585 N ALA A 187 14.868 -1.540 -1.088 1.00 0.00 N ATOM 586 CA ALA A 187 15.210 -0.922 0.195 1.00 0.00 C ATOM 587 C ALA A 187 16.454 -0.058 0.095 1.00 0.00 C ATOM 588 O ALA A 187 17.558 -0.553 -0.184 1.00 0.00 O ATOM 589 CB ALA A 187 15.408 -1.985 1.266 1.00 0.00 C ATOM 0 H ALA A 187 14.840 -2.559 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 187 14.375 -0.279 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.661 -1.506 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.488 -2.558 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 187 16.216 -2.654 0.970 1.00 0.00 H new ATOM 595 N LYS A 188 16.259 1.206 0.322 1.00 0.00 N ATOM 596 CA LYS A 188 17.267 2.233 0.287 1.00 0.00 C ATOM 597 C LYS A 188 16.558 3.508 0.664 1.00 0.00 C ATOM 598 O LYS A 188 15.359 3.444 0.998 1.00 0.00 O ATOM 599 CB LYS A 188 17.937 2.345 -1.104 1.00 0.00 C ATOM 600 CG LYS A 188 16.995 2.592 -2.263 1.00 0.00 C ATOM 601 CD LYS A 188 17.763 2.744 -3.561 1.00 0.00 C ATOM 602 CE LYS A 188 16.827 2.912 -4.742 1.00 0.00 C ATOM 603 NZ LYS A 188 15.983 1.721 -4.939 1.00 0.00 N ATOM 0 H LYS A 188 15.336 1.575 0.551 1.00 0.00 H new ATOM 0 HA LYS A 188 18.081 2.007 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 188 18.666 3.154 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 188 18.489 1.425 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 188 16.291 1.764 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 188 16.409 3.492 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.426 3.607 -3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 188 18.394 1.869 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 188 16.194 3.785 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 188 17.409 3.100 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 15.573 1.740 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 16.561 0.864 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 15.218 1.717 -4.234 1.00 0.00 H new ATOM 617 N LYS A 189 17.241 4.640 0.623 1.00 0.00 N ATOM 618 CA LYS A 189 16.613 5.896 0.994 1.00 0.00 C ATOM 619 C LYS A 189 15.408 6.221 0.082 1.00 0.00 C ATOM 620 O LYS A 189 14.288 6.343 0.588 1.00 0.00 O ATOM 621 CB LYS A 189 17.633 7.044 1.141 1.00 0.00 C ATOM 622 CG LYS A 189 18.653 6.774 2.225 1.00 0.00 C ATOM 623 CD LYS A 189 19.670 7.888 2.339 1.00 0.00 C ATOM 624 CE LYS A 189 20.689 7.579 3.423 1.00 0.00 C ATOM 625 NZ LYS A 189 20.057 7.400 4.749 1.00 0.00 N ATOM 0 H LYS A 189 18.218 4.715 0.340 1.00 0.00 H new ATOM 0 HA LYS A 189 16.195 5.777 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 189 18.147 7.194 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 189 17.104 7.970 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 189 18.142 6.651 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 189 19.166 5.836 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 189 20.178 8.022 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.164 8.827 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 189 21.236 6.674 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 189 21.418 8.388 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 20.786 7.445 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 19.358 8.154 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 19.583 6.475 4.786 1.00 0.00 H new ATOM 639 N PRO A 190 15.563 6.329 -1.265 1.00 0.00 N ATOM 640 CA PRO A 190 14.419 6.449 -2.130 1.00 0.00 C ATOM 641 C PRO A 190 13.915 5.046 -2.497 1.00 0.00 C ATOM 642 O PRO A 190 14.287 4.485 -3.533 1.00 0.00 O ATOM 643 CB PRO A 190 14.959 7.191 -3.376 1.00 0.00 C ATOM 644 CG PRO A 190 16.430 7.377 -3.126 1.00 0.00 C ATOM 645 CD PRO A 190 16.800 6.391 -2.054 1.00 0.00 C ATOM 0 HA PRO A 190 13.583 6.980 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 190 14.785 6.613 -4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 190 14.459 8.150 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 190 17.005 7.198 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 190 16.645 8.397 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 190 17.071 5.419 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 190 17.648 6.732 -1.460 1.00 0.00 H new ATOM 653 N ALA A 191 13.171 4.441 -1.587 1.00 0.00 N ATOM 654 CA ALA A 191 12.643 3.093 -1.802 1.00 0.00 C ATOM 655 C ALA A 191 11.396 3.151 -2.637 1.00 0.00 C ATOM 656 O ALA A 191 11.260 2.458 -3.657 1.00 0.00 O ATOM 657 CB ALA A 191 12.387 2.388 -0.481 1.00 0.00 C ATOM 0 H ALA A 191 12.916 4.856 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 191 13.391 2.512 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.995 1.389 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 191 13.320 2.311 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.662 2.957 0.101 1.00 0.00 H new ATOM 663 N LEU A 192 10.533 3.984 -2.221 1.00 0.00 N ATOM 664 CA LEU A 192 9.299 4.238 -2.888 1.00 0.00 C ATOM 665 C LEU A 192 9.138 5.732 -2.951 1.00 0.00 C ATOM 666 O LEU A 192 8.697 6.338 -1.963 1.00 0.00 O ATOM 667 CB LEU A 192 8.123 3.574 -2.151 1.00 0.00 C ATOM 668 CG LEU A 192 6.742 3.711 -2.812 1.00 0.00 C ATOM 669 CD1 LEU A 192 6.724 3.058 -4.188 1.00 0.00 C ATOM 670 CD2 LEU A 192 5.663 3.115 -1.920 1.00 0.00 C ATOM 671 OXT LEU A 192 9.558 6.326 -3.956 1.00 0.00 O ATOM 0 H LEU A 192 10.659 4.537 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 192 9.305 3.813 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 192 8.345 2.513 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 192 8.066 3.996 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 192 6.535 4.773 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 192 5.735 3.171 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 192 7.465 3.537 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 192 6.960 1.998 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 192 4.692 3.221 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 192 5.872 2.058 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 192 5.651 3.638 -0.964 1.00 0.00 H new TER 683 LEU A 192