USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=5 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 -24:sc= 1.08 USER MOD Single : A 164 ASN : amide:sc= -0.355 K(o=-0.35,f=-7.5!) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 181 GLN : amide:sc= -0.393 K(o=-0.39,f=-0.93) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ -176:sc= 0.955 (180deg=0.776) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ -166:sc= 2 (180deg=1.28!) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 8.965 -1.259 7.391 1.00 0.00 N ATOM 2 CA GLY A 149 10.420 -1.190 7.362 1.00 0.00 C ATOM 3 C GLY A 149 10.929 -0.153 8.323 1.00 0.00 C ATOM 4 O GLY A 149 10.200 0.254 9.226 1.00 0.00 O ATOM 0 HA2 GLY A 149 10.839 -2.164 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 149 10.756 -0.952 6.353 1.00 0.00 H new ATOM 10 N PRO A 150 12.190 0.281 8.192 1.00 0.00 N ATOM 11 CA PRO A 150 12.754 1.345 9.021 1.00 0.00 C ATOM 12 C PRO A 150 12.235 2.707 8.564 1.00 0.00 C ATOM 13 O PRO A 150 12.562 3.174 7.459 1.00 0.00 O ATOM 14 CB PRO A 150 14.272 1.237 8.770 1.00 0.00 C ATOM 15 CG PRO A 150 14.453 -0.032 8.011 1.00 0.00 C ATOM 16 CD PRO A 150 13.182 -0.241 7.258 1.00 0.00 C ATOM 0 HA PRO A 150 12.489 1.249 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 150 14.639 2.092 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 150 14.826 1.217 9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 150 15.303 0.037 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 150 14.650 -0.866 8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 150 13.175 0.298 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 150 13.012 -1.293 7.027 1.00 0.00 H new ATOM 24 N GLY A 151 11.412 3.304 9.378 1.00 0.00 N ATOM 25 CA GLY A 151 10.789 4.555 9.055 1.00 0.00 C ATOM 26 C GLY A 151 9.411 4.588 9.646 1.00 0.00 C ATOM 27 O GLY A 151 9.213 4.057 10.734 1.00 0.00 O ATOM 0 H GLY A 151 11.153 2.933 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 151 11.384 5.382 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 151 10.737 4.680 7.973 1.00 0.00 H new ATOM 31 N SER A 152 8.465 5.174 8.953 1.00 0.00 N ATOM 32 CA SER A 152 7.100 5.220 9.423 1.00 0.00 C ATOM 33 C SER A 152 6.302 4.085 8.773 1.00 0.00 C ATOM 34 O SER A 152 6.759 3.497 7.804 1.00 0.00 O ATOM 35 CB SER A 152 6.501 6.578 9.120 1.00 0.00 C ATOM 36 OG SER A 152 7.304 7.594 9.688 1.00 0.00 O ATOM 0 H SER A 152 8.617 5.630 8.053 1.00 0.00 H new ATOM 0 HA SER A 152 7.067 5.079 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.427 6.721 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.488 6.636 9.519 1.00 0.00 H new ATOM 0 HG SER A 152 6.913 8.470 9.488 1.00 0.00 H new ATOM 42 N GLU A 153 5.130 3.784 9.291 1.00 0.00 N ATOM 43 CA GLU A 153 4.370 2.630 8.827 1.00 0.00 C ATOM 44 C GLU A 153 3.460 2.965 7.643 1.00 0.00 C ATOM 45 O GLU A 153 3.626 2.417 6.546 1.00 0.00 O ATOM 46 CB GLU A 153 3.537 2.044 9.974 1.00 0.00 C ATOM 47 CG GLU A 153 4.332 1.740 11.239 1.00 0.00 C ATOM 48 CD GLU A 153 5.497 0.808 11.009 1.00 0.00 C ATOM 49 OE1 GLU A 153 5.310 -0.411 11.015 1.00 0.00 O ATOM 50 OE2 GLU A 153 6.637 1.279 10.852 1.00 0.00 O ATOM 0 H GLU A 153 4.678 4.318 10.033 1.00 0.00 H new ATOM 0 HA GLU A 153 5.094 1.891 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 153 2.738 2.743 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.061 1.126 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.703 2.675 11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 153 3.665 1.299 11.980 1.00 0.00 H new ATOM 57 N ASP A 154 2.526 3.886 7.865 1.00 0.00 N ATOM 58 CA ASP A 154 1.494 4.246 6.867 1.00 0.00 C ATOM 59 C ASP A 154 2.101 5.024 5.733 1.00 0.00 C ATOM 60 O ASP A 154 1.605 5.006 4.607 1.00 0.00 O ATOM 61 CB ASP A 154 0.403 5.138 7.486 1.00 0.00 C ATOM 62 CG ASP A 154 -0.282 4.562 8.695 1.00 0.00 C ATOM 63 OD1 ASP A 154 0.213 4.766 9.827 1.00 0.00 O ATOM 64 OD2 ASP A 154 -1.346 3.926 8.560 1.00 0.00 O ATOM 0 H ASP A 154 2.454 4.410 8.737 1.00 0.00 H new ATOM 0 HA ASP A 154 1.064 3.309 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 154 0.850 6.093 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -0.350 5.345 6.725 1.00 0.00 H new ATOM 69 N ASP A 155 3.138 5.755 6.050 1.00 0.00 N ATOM 70 CA ASP A 155 3.831 6.586 5.076 1.00 0.00 C ATOM 71 C ASP A 155 4.620 5.745 4.103 1.00 0.00 C ATOM 72 O ASP A 155 4.671 6.045 2.908 1.00 0.00 O ATOM 73 CB ASP A 155 4.764 7.574 5.779 1.00 0.00 C ATOM 74 CG ASP A 155 5.531 8.467 4.817 1.00 0.00 C ATOM 75 OD1 ASP A 155 4.991 9.492 4.379 1.00 0.00 O ATOM 76 OD2 ASP A 155 6.705 8.179 4.522 1.00 0.00 O ATOM 0 H ASP A 155 3.533 5.797 6.989 1.00 0.00 H new ATOM 0 HA ASP A 155 3.076 7.141 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 155 4.179 8.198 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 155 5.474 7.019 6.393 1.00 0.00 H new ATOM 81 N ASP A 156 5.179 4.670 4.613 1.00 0.00 N ATOM 82 CA ASP A 156 6.052 3.811 3.828 1.00 0.00 C ATOM 83 C ASP A 156 5.215 2.878 2.964 1.00 0.00 C ATOM 84 O ASP A 156 5.328 2.873 1.738 1.00 0.00 O ATOM 85 CB ASP A 156 6.935 2.991 4.758 1.00 0.00 C ATOM 86 CG ASP A 156 8.177 2.472 4.091 1.00 0.00 C ATOM 87 OD1 ASP A 156 8.116 1.528 3.280 1.00 0.00 O ATOM 88 OD2 ASP A 156 9.266 2.991 4.391 1.00 0.00 O ATOM 0 H ASP A 156 5.046 4.364 5.577 1.00 0.00 H new ATOM 0 HA ASP A 156 6.680 4.429 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 156 7.219 3.604 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 156 6.360 2.150 5.146 1.00 0.00 H new ATOM 93 N ILE A 157 4.365 2.106 3.602 1.00 0.00 N ATOM 94 CA ILE A 157 3.488 1.195 2.896 1.00 0.00 C ATOM 95 C ILE A 157 2.078 1.737 3.018 1.00 0.00 C ATOM 96 O ILE A 157 1.548 1.840 4.135 1.00 0.00 O ATOM 97 CB ILE A 157 3.552 -0.244 3.485 1.00 0.00 C ATOM 98 CG1 ILE A 157 5.004 -0.756 3.490 1.00 0.00 C ATOM 99 CG2 ILE A 157 2.659 -1.189 2.671 1.00 0.00 C ATOM 100 CD1 ILE A 157 5.186 -2.103 4.162 1.00 0.00 C ATOM 0 H ILE A 157 4.261 2.090 4.617 1.00 0.00 H new ATOM 0 HA ILE A 157 3.800 1.127 1.854 1.00 0.00 H new ATOM 0 HB ILE A 157 3.189 -0.217 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 157 5.356 -0.825 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 157 5.634 -0.023 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 157 2.712 -2.193 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 157 1.629 -0.835 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 157 3.001 -1.212 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 157 6.237 -2.390 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 157 4.867 -2.037 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 157 4.585 -2.851 3.645 1.00 0.00 H new ATOM 112 N ASP A 158 1.486 2.100 1.891 1.00 0.00 N ATOM 113 CA ASP A 158 0.174 2.747 1.879 1.00 0.00 C ATOM 114 C ASP A 158 -0.940 1.796 2.305 1.00 0.00 C ATOM 115 O ASP A 158 -0.815 0.567 2.208 1.00 0.00 O ATOM 116 CB ASP A 158 -0.170 3.339 0.493 1.00 0.00 C ATOM 117 CG ASP A 158 -0.853 2.361 -0.471 1.00 0.00 C ATOM 118 OD1 ASP A 158 -2.106 2.290 -0.477 1.00 0.00 O ATOM 119 OD2 ASP A 158 -0.161 1.668 -1.248 1.00 0.00 O ATOM 0 H ASP A 158 1.892 1.959 0.966 1.00 0.00 H new ATOM 0 HA ASP A 158 0.241 3.559 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -0.820 4.203 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 158 0.748 3.702 0.030 1.00 0.00 H new ATOM 124 N LEU A 159 -2.018 2.383 2.774 1.00 0.00 N ATOM 125 CA LEU A 159 -3.209 1.658 3.177 1.00 0.00 C ATOM 126 C LEU A 159 -4.399 2.269 2.463 1.00 0.00 C ATOM 127 O LEU A 159 -5.530 2.118 2.906 1.00 0.00 O ATOM 128 CB LEU A 159 -3.476 1.771 4.704 1.00 0.00 C ATOM 129 CG LEU A 159 -2.474 1.148 5.690 1.00 0.00 C ATOM 130 CD1 LEU A 159 -1.199 1.954 5.793 1.00 0.00 C ATOM 131 CD2 LEU A 159 -3.109 0.988 7.055 1.00 0.00 C ATOM 0 H LEU A 159 -2.096 3.393 2.889 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.063 0.608 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.557 2.831 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -4.450 1.324 4.900 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.205 0.165 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.522 1.475 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -0.722 2.007 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.432 2.961 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -2.388 0.546 7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.416 1.964 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -3.981 0.339 6.977 1.00 0.00 H new ATOM 143 N PHE A 160 -4.141 2.899 1.313 1.00 0.00 N ATOM 144 CA PHE A 160 -5.155 3.696 0.607 1.00 0.00 C ATOM 145 C PHE A 160 -6.248 2.853 -0.050 1.00 0.00 C ATOM 146 O PHE A 160 -7.194 3.389 -0.622 1.00 0.00 O ATOM 147 CB PHE A 160 -4.528 4.677 -0.389 1.00 0.00 C ATOM 148 CG PHE A 160 -3.583 5.665 0.246 1.00 0.00 C ATOM 149 CD1 PHE A 160 -3.968 6.403 1.352 1.00 0.00 C ATOM 150 CD2 PHE A 160 -2.316 5.860 -0.270 1.00 0.00 C ATOM 151 CE1 PHE A 160 -3.103 7.308 1.931 1.00 0.00 C ATOM 152 CE2 PHE A 160 -1.448 6.765 0.305 1.00 0.00 C ATOM 153 CZ PHE A 160 -1.840 7.489 1.406 1.00 0.00 C ATOM 0 H PHE A 160 -3.234 2.873 0.847 1.00 0.00 H new ATOM 0 HA PHE A 160 -5.651 4.281 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -3.991 4.113 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -5.323 5.223 -0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -4.956 6.269 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -2.001 5.296 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.414 7.875 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -0.461 6.905 -0.110 1.00 0.00 H new ATOM 0 HZ PHE A 160 -1.162 8.197 1.858 1.00 0.00 H new ATOM 163 N GLY A 161 -6.127 1.545 0.042 1.00 0.00 N ATOM 164 CA GLY A 161 -7.199 0.670 -0.369 1.00 0.00 C ATOM 165 C GLY A 161 -8.138 0.480 0.808 1.00 0.00 C ATOM 166 O GLY A 161 -8.399 -0.643 1.251 1.00 0.00 O ATOM 0 H GLY A 161 -5.298 1.068 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -7.734 1.098 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -6.801 -0.291 -0.696 1.00 0.00 H new ATOM 170 N SER A 162 -8.611 1.587 1.313 1.00 0.00 N ATOM 171 CA SER A 162 -9.404 1.664 2.500 1.00 0.00 C ATOM 172 C SER A 162 -10.889 1.464 2.156 1.00 0.00 C ATOM 173 O SER A 162 -11.231 0.827 1.150 1.00 0.00 O ATOM 174 CB SER A 162 -9.202 3.060 3.073 1.00 0.00 C ATOM 175 OG SER A 162 -7.826 3.428 3.079 1.00 0.00 O ATOM 0 H SER A 162 -8.444 2.498 0.886 1.00 0.00 H new ATOM 0 HA SER A 162 -9.111 0.893 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 162 -9.770 3.781 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 162 -9.594 3.097 4.089 1.00 0.00 H new ATOM 0 HG SER A 162 -7.271 2.620 3.089 1.00 0.00 H new ATOM 181 N ASP A 163 -11.755 2.044 2.977 1.00 0.00 N ATOM 182 CA ASP A 163 -13.206 1.956 2.817 1.00 0.00 C ATOM 183 C ASP A 163 -13.657 2.703 1.566 1.00 0.00 C ATOM 184 O ASP A 163 -14.765 2.507 1.075 1.00 0.00 O ATOM 185 CB ASP A 163 -13.912 2.521 4.054 1.00 0.00 C ATOM 186 CG ASP A 163 -13.541 1.794 5.327 1.00 0.00 C ATOM 187 OD1 ASP A 163 -12.454 2.079 5.899 1.00 0.00 O ATOM 188 OD2 ASP A 163 -14.314 0.930 5.793 1.00 0.00 O ATOM 0 H ASP A 163 -11.468 2.597 3.785 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.476 0.906 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -13.662 3.577 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.991 2.462 3.909 1.00 0.00 H new ATOM 193 N ASN A 164 -12.789 3.562 1.065 1.00 0.00 N ATOM 194 CA ASN A 164 -13.004 4.280 -0.195 1.00 0.00 C ATOM 195 C ASN A 164 -13.033 3.298 -1.361 1.00 0.00 C ATOM 196 O ASN A 164 -13.707 3.520 -2.362 1.00 0.00 O ATOM 197 CB ASN A 164 -11.897 5.350 -0.450 1.00 0.00 C ATOM 198 CG ASN A 164 -10.472 4.776 -0.528 1.00 0.00 C ATOM 199 OD1 ASN A 164 -10.145 3.801 0.133 1.00 0.00 O ATOM 200 ND2 ASN A 164 -9.639 5.352 -1.344 1.00 0.00 N ATOM 0 H ASN A 164 -11.904 3.789 1.519 1.00 0.00 H new ATOM 0 HA ASN A 164 -13.962 4.793 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -12.118 5.871 -1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -11.935 6.093 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -8.690 4.991 -1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.935 6.164 -1.885 1.00 0.00 H new ATOM 207 N GLU A 165 -12.328 2.206 -1.214 1.00 0.00 N ATOM 208 CA GLU A 165 -12.254 1.210 -2.234 1.00 0.00 C ATOM 209 C GLU A 165 -12.643 -0.132 -1.588 1.00 0.00 C ATOM 210 O GLU A 165 -12.068 -1.189 -1.865 1.00 0.00 O ATOM 211 CB GLU A 165 -10.832 1.199 -2.818 1.00 0.00 C ATOM 212 CG GLU A 165 -10.734 0.576 -4.206 1.00 0.00 C ATOM 213 CD GLU A 165 -9.359 0.710 -4.821 1.00 0.00 C ATOM 214 OE1 GLU A 165 -8.538 1.538 -4.344 1.00 0.00 O ATOM 215 OE2 GLU A 165 -9.042 -0.033 -5.788 1.00 0.00 O ATOM 0 H GLU A 165 -11.789 1.988 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 165 -12.935 1.409 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -10.462 2.223 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -10.176 0.653 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -10.996 -0.480 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -11.466 1.047 -4.862 1.00 0.00 H new ATOM 222 N GLU A 166 -13.686 -0.053 -0.748 1.00 0.00 N ATOM 223 CA GLU A 166 -14.223 -1.183 0.030 1.00 0.00 C ATOM 224 C GLU A 166 -14.599 -2.382 -0.839 1.00 0.00 C ATOM 225 O GLU A 166 -14.473 -3.528 -0.415 1.00 0.00 O ATOM 226 CB GLU A 166 -15.466 -0.748 0.817 1.00 0.00 C ATOM 227 CG GLU A 166 -16.564 -0.126 -0.046 1.00 0.00 C ATOM 228 CD GLU A 166 -17.875 0.007 0.676 1.00 0.00 C ATOM 229 OE1 GLU A 166 -17.986 0.822 1.597 1.00 0.00 O ATOM 230 OE2 GLU A 166 -18.824 -0.721 0.335 1.00 0.00 O ATOM 0 H GLU A 166 -14.192 0.818 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 166 -13.424 -1.490 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -15.875 -1.614 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -15.167 -0.029 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -16.240 0.859 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -16.707 -0.736 -0.938 1.00 0.00 H new ATOM 237 N GLU A 167 -15.057 -2.101 -2.038 1.00 0.00 N ATOM 238 CA GLU A 167 -15.526 -3.112 -2.950 1.00 0.00 C ATOM 239 C GLU A 167 -14.377 -3.987 -3.428 1.00 0.00 C ATOM 240 O GLU A 167 -14.559 -5.169 -3.671 1.00 0.00 O ATOM 241 CB GLU A 167 -16.214 -2.428 -4.117 1.00 0.00 C ATOM 242 CG GLU A 167 -16.761 -3.336 -5.188 1.00 0.00 C ATOM 243 CD GLU A 167 -17.392 -2.546 -6.285 1.00 0.00 C ATOM 244 OE1 GLU A 167 -16.676 -1.790 -6.967 1.00 0.00 O ATOM 245 OE2 GLU A 167 -18.624 -2.632 -6.466 1.00 0.00 O ATOM 0 H GLU A 167 -15.114 -1.152 -2.409 1.00 0.00 H new ATOM 0 HA GLU A 167 -16.235 -3.765 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.034 -1.825 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -15.505 -1.741 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -15.958 -3.952 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -17.495 -4.015 -4.755 1.00 0.00 H new ATOM 252 N ASP A 168 -13.196 -3.419 -3.514 1.00 0.00 N ATOM 253 CA ASP A 168 -12.056 -4.163 -3.993 1.00 0.00 C ATOM 254 C ASP A 168 -11.092 -4.427 -2.864 1.00 0.00 C ATOM 255 O ASP A 168 -9.984 -3.869 -2.809 1.00 0.00 O ATOM 256 CB ASP A 168 -11.357 -3.470 -5.172 1.00 0.00 C ATOM 257 CG ASP A 168 -12.239 -3.312 -6.385 1.00 0.00 C ATOM 258 OD1 ASP A 168 -12.430 -4.282 -7.137 1.00 0.00 O ATOM 259 OD2 ASP A 168 -12.735 -2.195 -6.639 1.00 0.00 O ATOM 0 H ASP A 168 -13.001 -2.451 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.423 -5.117 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -11.012 -2.487 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -10.472 -4.044 -5.448 1.00 0.00 H new ATOM 264 N LYS A 169 -11.522 -5.263 -1.939 1.00 0.00 N ATOM 265 CA LYS A 169 -10.726 -5.577 -0.772 1.00 0.00 C ATOM 266 C LYS A 169 -9.574 -6.491 -1.148 1.00 0.00 C ATOM 267 O LYS A 169 -8.452 -6.303 -0.686 1.00 0.00 O ATOM 268 CB LYS A 169 -11.573 -6.206 0.341 1.00 0.00 C ATOM 269 CG LYS A 169 -10.782 -6.524 1.603 1.00 0.00 C ATOM 270 CD LYS A 169 -11.639 -7.200 2.648 1.00 0.00 C ATOM 271 CE LYS A 169 -10.825 -7.562 3.879 1.00 0.00 C ATOM 272 NZ LYS A 169 -11.655 -8.199 4.917 1.00 0.00 N ATOM 0 H LYS A 169 -12.424 -5.739 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 169 -10.322 -4.641 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.387 -5.527 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -12.027 -7.123 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.940 -7.169 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -10.367 -5.603 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -12.458 -6.540 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -12.087 -8.101 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -10.017 -8.237 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -10.362 -6.663 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -11.064 -8.431 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -12.411 -7.546 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -12.077 -9.070 4.538 1.00 0.00 H new ATOM 286 N GLU A 170 -9.836 -7.467 -1.994 1.00 0.00 N ATOM 287 CA GLU A 170 -8.786 -8.351 -2.435 1.00 0.00 C ATOM 288 C GLU A 170 -7.728 -7.631 -3.288 1.00 0.00 C ATOM 289 O GLU A 170 -6.546 -7.968 -3.236 1.00 0.00 O ATOM 290 CB GLU A 170 -9.341 -9.665 -3.030 1.00 0.00 C ATOM 291 CG GLU A 170 -10.492 -9.534 -4.027 1.00 0.00 C ATOM 292 CD GLU A 170 -10.128 -8.884 -5.332 1.00 0.00 C ATOM 293 OE1 GLU A 170 -9.730 -9.602 -6.272 1.00 0.00 O ATOM 294 OE2 GLU A 170 -10.278 -7.660 -5.460 1.00 0.00 O ATOM 0 H GLU A 170 -10.758 -7.664 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 170 -8.231 -8.672 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.522 -10.188 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.674 -10.297 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.891 -10.528 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -11.292 -8.959 -3.562 1.00 0.00 H new ATOM 301 N ALA A 171 -8.152 -6.606 -4.014 1.00 0.00 N ATOM 302 CA ALA A 171 -7.236 -5.747 -4.741 1.00 0.00 C ATOM 303 C ALA A 171 -6.371 -4.965 -3.755 1.00 0.00 C ATOM 304 O ALA A 171 -5.179 -4.742 -3.984 1.00 0.00 O ATOM 305 CB ALA A 171 -7.993 -4.792 -5.643 1.00 0.00 C ATOM 0 H ALA A 171 -9.134 -6.350 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.597 -6.370 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.285 -4.158 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.585 -5.361 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.654 -4.169 -5.040 1.00 0.00 H new ATOM 311 N ALA A 172 -6.979 -4.555 -2.652 1.00 0.00 N ATOM 312 CA ALA A 172 -6.265 -3.858 -1.596 1.00 0.00 C ATOM 313 C ALA A 172 -5.268 -4.807 -0.924 1.00 0.00 C ATOM 314 O ALA A 172 -4.158 -4.423 -0.586 1.00 0.00 O ATOM 315 CB ALA A 172 -7.237 -3.282 -0.579 1.00 0.00 C ATOM 0 H ALA A 172 -7.972 -4.695 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.712 -3.028 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.681 -2.764 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -7.907 -2.579 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.821 -4.089 -0.136 1.00 0.00 H new ATOM 321 N GLN A 173 -5.679 -6.049 -0.774 1.00 0.00 N ATOM 322 CA GLN A 173 -4.850 -7.098 -0.193 1.00 0.00 C ATOM 323 C GLN A 173 -3.583 -7.311 -1.033 1.00 0.00 C ATOM 324 O GLN A 173 -2.457 -7.210 -0.533 1.00 0.00 O ATOM 325 CB GLN A 173 -5.641 -8.403 -0.149 1.00 0.00 C ATOM 326 CG GLN A 173 -4.896 -9.572 0.467 1.00 0.00 C ATOM 327 CD GLN A 173 -5.614 -10.884 0.254 1.00 0.00 C ATOM 328 OE1 GLN A 173 -6.841 -10.934 0.146 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.869 -11.947 0.179 1.00 0.00 N ATOM 0 H GLN A 173 -6.607 -6.367 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.563 -6.797 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -6.560 -8.237 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -5.933 -8.670 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -3.897 -9.632 0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -4.771 -9.398 1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.856 -11.868 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -5.297 -12.860 0.026 1.00 0.00 H new ATOM 338 N LEU A 174 -3.777 -7.576 -2.321 1.00 0.00 N ATOM 339 CA LEU A 174 -2.666 -7.850 -3.209 1.00 0.00 C ATOM 340 C LEU A 174 -1.754 -6.640 -3.397 1.00 0.00 C ATOM 341 O LEU A 174 -0.543 -6.794 -3.575 1.00 0.00 O ATOM 342 CB LEU A 174 -3.157 -8.455 -4.549 1.00 0.00 C ATOM 343 CG LEU A 174 -4.113 -7.614 -5.417 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.374 -6.606 -6.295 1.00 0.00 C ATOM 345 CD2 LEU A 174 -5.017 -8.505 -6.238 1.00 0.00 C ATOM 0 H LEU A 174 -4.694 -7.605 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 174 -2.044 -8.606 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.279 -8.689 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.652 -9.400 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.734 -7.031 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.095 -6.040 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.805 -5.922 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.694 -7.135 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.683 -7.889 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.412 -9.134 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.609 -9.135 -5.573 1.00 0.00 H new ATOM 357 N ARG A 175 -2.315 -5.430 -3.325 1.00 0.00 N ATOM 358 CA ARG A 175 -1.491 -4.253 -3.480 1.00 0.00 C ATOM 359 C ARG A 175 -0.607 -4.064 -2.252 1.00 0.00 C ATOM 360 O ARG A 175 0.553 -3.733 -2.382 1.00 0.00 O ATOM 361 CB ARG A 175 -2.299 -2.980 -3.793 1.00 0.00 C ATOM 362 CG ARG A 175 -3.100 -2.445 -2.641 1.00 0.00 C ATOM 363 CD ARG A 175 -3.962 -1.285 -3.052 1.00 0.00 C ATOM 364 NE ARG A 175 -4.971 -1.677 -4.032 1.00 0.00 N ATOM 365 CZ ARG A 175 -6.087 -1.007 -4.287 1.00 0.00 C ATOM 366 NH1 ARG A 175 -6.333 0.153 -3.677 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.933 -1.479 -5.175 1.00 0.00 N ATOM 0 H ARG A 175 -3.307 -5.253 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 175 -0.858 -4.420 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -1.612 -2.204 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.975 -3.190 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -3.728 -3.238 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -2.426 -2.132 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -4.453 -0.868 -2.173 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.335 -0.498 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 175 -4.805 -2.533 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -5.661 0.531 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -7.193 0.663 -3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -6.728 -2.352 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.794 -0.972 -5.379 1.00 0.00 H new ATOM 381 N GLU A 176 -1.155 -4.368 -1.079 1.00 0.00 N ATOM 382 CA GLU A 176 -0.455 -4.226 0.198 1.00 0.00 C ATOM 383 C GLU A 176 0.777 -5.153 0.174 1.00 0.00 C ATOM 384 O GLU A 176 1.889 -4.759 0.544 1.00 0.00 O ATOM 385 CB GLU A 176 -1.463 -4.597 1.313 1.00 0.00 C ATOM 386 CG GLU A 176 -1.330 -3.866 2.657 1.00 0.00 C ATOM 387 CD GLU A 176 -0.252 -4.382 3.576 1.00 0.00 C ATOM 388 OE1 GLU A 176 -0.401 -5.519 4.087 1.00 0.00 O ATOM 389 OE2 GLU A 176 0.682 -3.630 3.900 1.00 0.00 O ATOM 0 H GLU A 176 -2.106 -4.723 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 176 -0.098 -3.212 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -2.468 -4.420 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.378 -5.667 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.139 -2.811 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -2.286 -3.925 3.178 1.00 0.00 H new ATOM 396 N GLU A 177 0.582 -6.348 -0.365 1.00 0.00 N ATOM 397 CA GLU A 177 1.651 -7.324 -0.510 1.00 0.00 C ATOM 398 C GLU A 177 2.730 -6.894 -1.520 1.00 0.00 C ATOM 399 O GLU A 177 3.928 -7.020 -1.245 1.00 0.00 O ATOM 400 CB GLU A 177 1.093 -8.693 -0.875 1.00 0.00 C ATOM 401 CG GLU A 177 0.296 -9.336 0.235 1.00 0.00 C ATOM 402 CD GLU A 177 1.137 -9.573 1.466 1.00 0.00 C ATOM 403 OE1 GLU A 177 1.820 -10.625 1.542 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.135 -8.718 2.375 1.00 0.00 O ATOM 0 H GLU A 177 -0.322 -6.668 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 177 2.140 -7.387 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.459 -8.595 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.918 -9.352 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.550 -8.699 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.113 -10.284 -0.114 1.00 0.00 H new ATOM 411 N ARG A 178 2.325 -6.398 -2.678 1.00 0.00 N ATOM 412 CA ARG A 178 3.296 -5.989 -3.694 1.00 0.00 C ATOM 413 C ARG A 178 3.978 -4.663 -3.328 1.00 0.00 C ATOM 414 O ARG A 178 5.129 -4.432 -3.676 1.00 0.00 O ATOM 415 CB ARG A 178 2.668 -5.937 -5.094 1.00 0.00 C ATOM 416 CG ARG A 178 1.567 -4.925 -5.233 1.00 0.00 C ATOM 417 CD ARG A 178 0.857 -5.031 -6.569 1.00 0.00 C ATOM 418 NE ARG A 178 1.720 -4.703 -7.706 1.00 0.00 N ATOM 419 CZ ARG A 178 1.405 -4.945 -8.986 1.00 0.00 C ATOM 420 NH1 ARG A 178 0.311 -5.644 -9.281 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.206 -4.538 -9.962 1.00 0.00 N ATOM 0 H ARG A 178 1.348 -6.268 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 178 4.073 -6.753 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.447 -5.713 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.274 -6.923 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.845 -5.063 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.981 -3.923 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.475 -6.044 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -0.004 -4.363 -6.570 1.00 0.00 H new ATOM 0 HE ARG A 178 2.619 -4.262 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -0.287 -5.995 -8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.071 -5.828 -10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 178 3.067 -4.038 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 178 1.961 -4.725 -10.934 1.00 0.00 H new ATOM 435 N LEU A 179 3.286 -3.809 -2.607 1.00 0.00 N ATOM 436 CA LEU A 179 3.876 -2.561 -2.163 1.00 0.00 C ATOM 437 C LEU A 179 4.946 -2.803 -1.123 1.00 0.00 C ATOM 438 O LEU A 179 6.003 -2.179 -1.175 1.00 0.00 O ATOM 439 CB LEU A 179 2.817 -1.562 -1.648 1.00 0.00 C ATOM 440 CG LEU A 179 2.245 -0.543 -2.668 1.00 0.00 C ATOM 441 CD1 LEU A 179 3.325 0.427 -3.104 1.00 0.00 C ATOM 442 CD2 LEU A 179 1.645 -1.227 -3.890 1.00 0.00 C ATOM 0 H LEU A 179 2.319 -3.952 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 179 4.345 -2.105 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 179 1.984 -2.134 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 179 3.255 -1.002 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 179 1.445 -0.001 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 179 2.910 1.136 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 179 3.702 0.967 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.142 -0.124 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 179 1.258 -0.473 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.414 -1.814 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 179 0.834 -1.884 -3.577 1.00 0.00 H new ATOM 454 N ARG A 180 4.702 -3.749 -0.221 1.00 0.00 N ATOM 455 CA ARG A 180 5.635 -4.031 0.862 1.00 0.00 C ATOM 456 C ARG A 180 6.962 -4.598 0.321 1.00 0.00 C ATOM 457 O ARG A 180 8.034 -4.247 0.808 1.00 0.00 O ATOM 458 CB ARG A 180 5.001 -4.989 1.894 1.00 0.00 C ATOM 459 CG ARG A 180 5.089 -6.478 1.560 1.00 0.00 C ATOM 460 CD ARG A 180 4.176 -7.308 2.430 1.00 0.00 C ATOM 461 NE ARG A 180 4.298 -6.961 3.831 1.00 0.00 N ATOM 462 CZ ARG A 180 3.276 -6.541 4.569 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.034 -6.677 4.110 1.00 0.00 N ATOM 464 NH2 ARG A 180 3.498 -6.039 5.781 1.00 0.00 N ATOM 0 H ARG A 180 3.866 -4.333 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 180 5.860 -3.091 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 180 5.481 -4.823 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 180 3.950 -4.723 2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 180 4.829 -6.631 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 180 6.117 -6.818 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 180 3.144 -7.167 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 180 4.410 -8.364 2.296 1.00 0.00 H new ATOM 0 HE ARG A 180 5.214 -7.043 4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 180 1.871 -7.102 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 180 1.245 -6.357 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 180 4.450 -5.977 6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 180 2.716 -5.716 6.350 1.00 0.00 H new ATOM 478 N GLN A 181 6.885 -5.442 -0.715 1.00 0.00 N ATOM 479 CA GLN A 181 8.063 -6.045 -1.286 1.00 0.00 C ATOM 480 C GLN A 181 8.878 -5.018 -2.041 1.00 0.00 C ATOM 481 O GLN A 181 10.093 -4.946 -1.879 1.00 0.00 O ATOM 482 CB GLN A 181 7.695 -7.253 -2.147 1.00 0.00 C ATOM 483 CG GLN A 181 6.755 -6.958 -3.288 1.00 0.00 C ATOM 484 CD GLN A 181 6.340 -8.190 -4.050 1.00 0.00 C ATOM 485 OE1 GLN A 181 5.339 -8.838 -3.718 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.082 -8.521 -5.061 1.00 0.00 N ATOM 0 H GLN A 181 6.011 -5.714 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 181 8.693 -6.417 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.610 -7.684 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.241 -8.011 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.865 -6.463 -2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.234 -6.259 -3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.899 -7.959 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.849 -9.344 -5.617 1.00 0.00 H new ATOM 495 N TYR A 182 8.207 -4.186 -2.817 1.00 0.00 N ATOM 496 CA TYR A 182 8.861 -3.121 -3.517 1.00 0.00 C ATOM 497 C TYR A 182 9.491 -2.149 -2.544 1.00 0.00 C ATOM 498 O TYR A 182 10.627 -1.761 -2.718 1.00 0.00 O ATOM 499 CB TYR A 182 7.895 -2.405 -4.449 1.00 0.00 C ATOM 500 CG TYR A 182 7.873 -2.953 -5.855 1.00 0.00 C ATOM 501 CD1 TYR A 182 7.043 -4.004 -6.219 1.00 0.00 C ATOM 502 CD2 TYR A 182 8.694 -2.403 -6.828 1.00 0.00 C ATOM 503 CE1 TYR A 182 7.036 -4.491 -7.513 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.695 -2.880 -8.118 1.00 0.00 C ATOM 505 CZ TYR A 182 7.866 -3.922 -8.457 1.00 0.00 C ATOM 506 OH TYR A 182 7.863 -4.394 -9.756 1.00 0.00 O ATOM 0 H TYR A 182 7.200 -4.238 -2.972 1.00 0.00 H new ATOM 0 HA TYR A 182 9.654 -3.555 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 182 6.890 -2.467 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 182 8.160 -1.348 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 182 6.393 -4.448 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 182 9.346 -1.583 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 182 6.386 -5.310 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 182 9.344 -2.438 -8.860 1.00 0.00 H new ATOM 0 HH TYR A 182 8.505 -3.882 -10.291 1.00 0.00 H new ATOM 516 N ALA A 183 8.770 -1.835 -1.483 1.00 0.00 N ATOM 517 CA ALA A 183 9.241 -0.894 -0.477 1.00 0.00 C ATOM 518 C ALA A 183 10.445 -1.431 0.282 1.00 0.00 C ATOM 519 O ALA A 183 11.241 -0.654 0.802 1.00 0.00 O ATOM 520 CB ALA A 183 8.125 -0.537 0.497 1.00 0.00 C ATOM 0 H ALA A 183 7.846 -2.222 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 183 9.553 0.008 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.501 0.167 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.298 -0.082 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.776 -1.440 0.998 1.00 0.00 H new ATOM 526 N GLU A 184 10.559 -2.745 0.357 1.00 0.00 N ATOM 527 CA GLU A 184 11.662 -3.385 1.042 1.00 0.00 C ATOM 528 C GLU A 184 12.867 -3.435 0.088 1.00 0.00 C ATOM 529 O GLU A 184 13.984 -3.103 0.471 1.00 0.00 O ATOM 530 CB GLU A 184 11.224 -4.795 1.502 1.00 0.00 C ATOM 531 CG GLU A 184 12.019 -5.429 2.659 1.00 0.00 C ATOM 532 CD GLU A 184 13.465 -5.752 2.355 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.725 -6.720 1.609 1.00 0.00 O ATOM 534 OE2 GLU A 184 14.365 -5.087 2.899 1.00 0.00 O ATOM 0 H GLU A 184 9.890 -3.395 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 184 11.954 -2.825 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.176 -4.745 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.281 -5.465 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 184 11.988 -4.751 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 184 11.516 -6.347 2.962 1.00 0.00 H new ATOM 541 N LYS A 185 12.631 -3.850 -1.165 1.00 0.00 N ATOM 542 CA LYS A 185 13.673 -3.884 -2.173 1.00 0.00 C ATOM 543 C LYS A 185 14.228 -2.503 -2.483 1.00 0.00 C ATOM 544 O LYS A 185 15.446 -2.329 -2.587 1.00 0.00 O ATOM 545 CB LYS A 185 13.211 -4.566 -3.473 1.00 0.00 C ATOM 546 CG LYS A 185 13.362 -6.097 -3.540 1.00 0.00 C ATOM 547 CD LYS A 185 12.285 -6.930 -2.820 1.00 0.00 C ATOM 548 CE LYS A 185 12.467 -6.964 -1.316 1.00 0.00 C ATOM 549 NZ LYS A 185 13.745 -7.575 -0.911 1.00 0.00 N ATOM 0 H LYS A 185 11.719 -4.166 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 185 14.474 -4.483 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.161 -4.320 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 185 13.769 -4.132 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.376 -6.392 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.333 -6.362 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 185 11.302 -6.520 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 185 12.305 -7.949 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 185 12.415 -5.948 -0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 185 11.644 -7.521 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 13.788 -7.634 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.817 -8.530 -1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 14.534 -6.992 -1.257 1.00 0.00 H new ATOM 563 N LYS A 186 13.357 -1.540 -2.632 1.00 0.00 N ATOM 564 CA LYS A 186 13.753 -0.180 -2.943 1.00 0.00 C ATOM 565 C LYS A 186 14.108 0.565 -1.667 1.00 0.00 C ATOM 566 O LYS A 186 14.055 0.011 -0.557 1.00 0.00 O ATOM 567 CB LYS A 186 12.604 0.567 -3.647 1.00 0.00 C ATOM 568 CG LYS A 186 12.140 -0.024 -4.976 1.00 0.00 C ATOM 569 CD LYS A 186 13.189 0.089 -6.063 1.00 0.00 C ATOM 570 CE LYS A 186 12.633 -0.405 -7.386 1.00 0.00 C ATOM 571 NZ LYS A 186 13.597 -0.265 -8.495 1.00 0.00 N ATOM 0 H LYS A 186 12.349 -1.671 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 186 14.620 -0.221 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 186 11.751 0.603 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 186 12.917 1.597 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 186 11.883 -1.073 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 186 11.232 0.485 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 186 13.511 1.126 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 186 14.069 -0.494 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 186 12.348 -1.452 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 186 11.727 0.151 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 13.168 -0.617 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 13.851 0.737 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 14.453 -0.817 -8.283 1.00 0.00 H new ATOM 585 N ALA A 187 14.481 1.789 -1.822 1.00 0.00 N ATOM 586 CA ALA A 187 14.742 2.659 -0.722 1.00 0.00 C ATOM 587 C ALA A 187 13.685 3.732 -0.750 1.00 0.00 C ATOM 588 O ALA A 187 12.945 3.843 -1.741 1.00 0.00 O ATOM 589 CB ALA A 187 16.136 3.264 -0.835 1.00 0.00 C ATOM 0 H ALA A 187 14.616 2.224 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 187 14.709 2.114 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 187 16.316 3.924 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 187 16.879 2.467 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 187 16.211 3.834 -1.761 1.00 0.00 H new ATOM 595 N LYS A 188 13.570 4.501 0.297 1.00 0.00 N ATOM 596 CA LYS A 188 12.593 5.549 0.311 1.00 0.00 C ATOM 597 C LYS A 188 13.149 6.753 -0.382 1.00 0.00 C ATOM 598 O LYS A 188 14.027 7.448 0.160 1.00 0.00 O ATOM 599 CB LYS A 188 12.112 5.879 1.719 1.00 0.00 C ATOM 600 CG LYS A 188 11.386 4.736 2.430 1.00 0.00 C ATOM 601 CD LYS A 188 10.178 4.236 1.626 1.00 0.00 C ATOM 602 CE LYS A 188 10.439 2.870 0.985 1.00 0.00 C ATOM 603 NZ LYS A 188 10.524 1.793 1.997 1.00 0.00 N ATOM 0 H LYS A 188 14.135 4.422 1.143 1.00 0.00 H new ATOM 0 HA LYS A 188 11.711 5.203 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 188 12.970 6.177 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 188 11.445 6.739 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 188 12.080 3.911 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 188 11.054 5.072 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 188 9.310 4.169 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 188 9.935 4.960 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 188 9.641 2.642 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 188 11.368 2.908 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 10.930 0.940 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 11.129 2.103 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 9.572 1.578 2.356 1.00 0.00 H new ATOM 617 N LYS A 189 12.678 6.937 -1.601 1.00 0.00 N ATOM 618 CA LYS A 189 13.093 7.996 -2.508 1.00 0.00 C ATOM 619 C LYS A 189 12.984 9.365 -1.840 1.00 0.00 C ATOM 620 O LYS A 189 11.887 9.855 -1.595 1.00 0.00 O ATOM 621 CB LYS A 189 12.206 7.956 -3.749 1.00 0.00 C ATOM 622 CG LYS A 189 12.179 6.601 -4.443 1.00 0.00 C ATOM 623 CD LYS A 189 11.144 6.574 -5.544 1.00 0.00 C ATOM 624 CE LYS A 189 11.038 5.202 -6.188 1.00 0.00 C ATOM 625 NZ LYS A 189 9.922 5.142 -7.155 1.00 0.00 N ATOM 0 H LYS A 189 11.966 6.328 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 189 14.136 7.838 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 189 11.189 8.229 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 189 12.553 8.709 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 189 13.163 6.382 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 189 11.960 5.820 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 189 10.174 6.860 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 189 11.402 7.312 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 189 11.973 4.964 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 189 10.893 4.447 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 9.878 4.192 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 9.027 5.345 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 10.074 5.846 -7.905 1.00 0.00 H new ATOM 639 N PRO A 190 14.115 9.994 -1.529 1.00 0.00 N ATOM 640 CA PRO A 190 14.141 11.267 -0.843 1.00 0.00 C ATOM 641 C PRO A 190 14.233 12.441 -1.824 1.00 0.00 C ATOM 642 O PRO A 190 14.831 13.484 -1.519 1.00 0.00 O ATOM 643 CB PRO A 190 15.425 11.146 -0.027 1.00 0.00 C ATOM 644 CG PRO A 190 16.351 10.343 -0.886 1.00 0.00 C ATOM 645 CD PRO A 190 15.484 9.511 -1.808 1.00 0.00 C ATOM 0 HA PRO A 190 13.245 11.463 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 190 15.845 12.127 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 190 15.242 10.651 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 190 17.009 10.996 -1.459 1.00 0.00 H new ATOM 0 HG3 PRO A 190 16.989 9.704 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 190 15.755 9.657 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 190 15.584 8.446 -1.599 1.00 0.00 H new ATOM 653 N ALA A 191 13.614 12.295 -2.978 1.00 0.00 N ATOM 654 CA ALA A 191 13.650 13.329 -3.985 1.00 0.00 C ATOM 655 C ALA A 191 12.610 14.405 -3.698 1.00 0.00 C ATOM 656 O ALA A 191 11.558 14.486 -4.339 1.00 0.00 O ATOM 657 CB ALA A 191 13.495 12.754 -5.382 1.00 0.00 C ATOM 0 H ALA A 191 13.079 11.467 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 191 14.632 13.800 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 191 13.527 13.562 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 191 14.306 12.053 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 191 12.540 12.234 -5.457 1.00 0.00 H new ATOM 663 N LEU A 192 12.879 15.163 -2.677 1.00 0.00 N ATOM 664 CA LEU A 192 12.037 16.241 -2.269 1.00 0.00 C ATOM 665 C LEU A 192 12.825 17.507 -2.452 1.00 0.00 C ATOM 666 O LEU A 192 12.714 18.137 -3.507 1.00 0.00 O ATOM 667 CB LEU A 192 11.619 16.080 -0.795 1.00 0.00 C ATOM 668 CG LEU A 192 10.889 14.782 -0.418 1.00 0.00 C ATOM 669 CD1 LEU A 192 10.592 14.754 1.070 1.00 0.00 C ATOM 670 CD2 LEU A 192 9.604 14.633 -1.212 1.00 0.00 C ATOM 671 OXT LEU A 192 13.638 17.838 -1.565 1.00 0.00 O ATOM 0 H LEU A 192 13.708 15.044 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 192 11.124 16.259 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 192 12.514 16.157 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 192 10.976 16.920 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 192 11.542 13.944 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 192 10.075 13.828 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 192 11.526 14.810 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 192 9.961 15.604 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 192 9.106 13.706 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 192 8.947 15.477 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 192 9.835 14.608 -2.277 1.00 0.00 H new TER 683 LEU A 192