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 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 169 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.591) USER MOD Single : A 173 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.078) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 189 LYS NZ :NH3+ 150:sc= 0.836 (180deg=0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 4.144 12.153 -8.223 1.00 0.00 N ATOM 2 CA GLY A 149 4.436 13.491 -7.732 1.00 0.00 C ATOM 3 C GLY A 149 5.791 13.471 -7.108 1.00 0.00 C ATOM 4 O GLY A 149 6.690 12.853 -7.664 1.00 0.00 O ATOM 0 HA2 GLY A 149 4.404 14.212 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.686 13.801 -7.004 1.00 0.00 H new ATOM 10 N PRO A 150 5.989 14.120 -5.943 1.00 0.00 N ATOM 11 CA PRO A 150 7.246 14.002 -5.182 1.00 0.00 C ATOM 12 C PRO A 150 7.488 12.527 -4.818 1.00 0.00 C ATOM 13 O PRO A 150 8.624 12.056 -4.743 1.00 0.00 O ATOM 14 CB PRO A 150 6.973 14.837 -3.925 1.00 0.00 C ATOM 15 CG PRO A 150 5.933 15.810 -4.354 1.00 0.00 C ATOM 16 CD PRO A 150 5.045 15.057 -5.299 1.00 0.00 C ATOM 0 HA PRO A 150 8.128 14.339 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 150 6.621 14.215 -3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 150 7.874 15.343 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 150 5.369 16.184 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 150 6.382 16.675 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 150 4.246 14.533 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 150 4.570 15.718 -6.024 1.00 0.00 H new ATOM 24 N GLY A 151 6.398 11.822 -4.609 1.00 0.00 N ATOM 25 CA GLY A 151 6.424 10.410 -4.420 1.00 0.00 C ATOM 26 C GLY A 151 5.525 9.755 -5.451 1.00 0.00 C ATOM 27 O GLY A 151 4.780 10.461 -6.169 1.00 0.00 O ATOM 0 H GLY A 151 5.464 12.229 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.443 10.036 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.088 10.159 -3.414 1.00 0.00 H new ATOM 31 N SER A 152 5.593 8.454 -5.564 1.00 0.00 N ATOM 32 CA SER A 152 4.753 7.724 -6.487 1.00 0.00 C ATOM 33 C SER A 152 3.329 7.731 -5.931 1.00 0.00 C ATOM 34 O SER A 152 3.143 7.408 -4.764 1.00 0.00 O ATOM 35 CB SER A 152 5.266 6.286 -6.585 1.00 0.00 C ATOM 36 OG SER A 152 6.672 6.266 -6.804 1.00 0.00 O ATOM 0 H SER A 152 6.229 7.869 -5.022 1.00 0.00 H new ATOM 0 HA SER A 152 4.769 8.179 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 152 5.028 5.747 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 152 4.759 5.769 -7.399 1.00 0.00 H new ATOM 0 HG SER A 152 6.981 5.338 -6.862 1.00 0.00 H new ATOM 42 N GLU A 153 2.349 8.105 -6.755 1.00 0.00 N ATOM 43 CA GLU A 153 0.926 8.210 -6.349 1.00 0.00 C ATOM 44 C GLU A 153 0.461 6.991 -5.556 1.00 0.00 C ATOM 45 O GLU A 153 -0.026 7.113 -4.441 1.00 0.00 O ATOM 46 CB GLU A 153 0.006 8.363 -7.583 1.00 0.00 C ATOM 47 CG GLU A 153 0.065 9.703 -8.326 1.00 0.00 C ATOM 48 CD GLU A 153 1.424 10.064 -8.869 1.00 0.00 C ATOM 49 OE1 GLU A 153 2.182 9.170 -9.291 1.00 0.00 O ATOM 50 OE2 GLU A 153 1.778 11.259 -8.852 1.00 0.00 O ATOM 0 H GLU A 153 2.510 8.348 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 153 0.857 9.094 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 153 0.252 7.571 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.023 8.197 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -0.646 9.676 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.262 10.493 -7.649 1.00 0.00 H new ATOM 57 N ASP A 154 0.699 5.830 -6.118 1.00 0.00 N ATOM 58 CA ASP A 154 0.228 4.552 -5.571 1.00 0.00 C ATOM 59 C ASP A 154 0.873 4.219 -4.214 1.00 0.00 C ATOM 60 O ASP A 154 0.298 3.519 -3.391 1.00 0.00 O ATOM 61 CB ASP A 154 0.505 3.456 -6.597 1.00 0.00 C ATOM 62 CG ASP A 154 -0.079 2.121 -6.239 1.00 0.00 C ATOM 63 OD1 ASP A 154 -1.296 2.054 -5.975 1.00 0.00 O ATOM 64 OD2 ASP A 154 0.661 1.103 -6.279 1.00 0.00 O ATOM 0 H ASP A 154 1.232 5.731 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 154 -0.843 4.626 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 154 0.107 3.768 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 154 1.583 3.349 -6.716 1.00 0.00 H new ATOM 69 N ASP A 155 2.046 4.771 -3.984 1.00 0.00 N ATOM 70 CA ASP A 155 2.791 4.556 -2.736 1.00 0.00 C ATOM 71 C ASP A 155 2.467 5.643 -1.713 1.00 0.00 C ATOM 72 O ASP A 155 2.372 5.385 -0.507 1.00 0.00 O ATOM 73 CB ASP A 155 4.304 4.530 -3.024 1.00 0.00 C ATOM 74 CG ASP A 155 5.174 4.558 -1.774 1.00 0.00 C ATOM 75 OD1 ASP A 155 5.159 3.599 -0.982 1.00 0.00 O ATOM 76 OD2 ASP A 155 5.936 5.535 -1.601 1.00 0.00 O ATOM 0 H ASP A 155 2.520 5.383 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 155 2.491 3.595 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 155 4.539 3.633 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 155 4.559 5.385 -3.651 1.00 0.00 H new ATOM 81 N ASP A 156 2.279 6.844 -2.205 1.00 0.00 N ATOM 82 CA ASP A 156 2.011 8.015 -1.372 1.00 0.00 C ATOM 83 C ASP A 156 0.601 7.960 -0.792 1.00 0.00 C ATOM 84 O ASP A 156 0.401 8.163 0.418 1.00 0.00 O ATOM 85 CB ASP A 156 2.185 9.295 -2.201 1.00 0.00 C ATOM 86 CG ASP A 156 2.064 10.560 -1.384 1.00 0.00 C ATOM 87 OD1 ASP A 156 0.946 11.055 -1.179 1.00 0.00 O ATOM 88 OD2 ASP A 156 3.110 11.096 -0.945 1.00 0.00 O ATOM 0 H ASP A 156 2.306 7.049 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 156 2.722 8.019 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 156 3.162 9.276 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 156 1.437 9.310 -2.994 1.00 0.00 H new ATOM 93 N ILE A 157 -0.360 7.657 -1.647 1.00 0.00 N ATOM 94 CA ILE A 157 -1.759 7.577 -1.261 1.00 0.00 C ATOM 95 C ILE A 157 -1.979 6.343 -0.385 1.00 0.00 C ATOM 96 O ILE A 157 -1.418 5.276 -0.645 1.00 0.00 O ATOM 97 CB ILE A 157 -2.677 7.521 -2.524 1.00 0.00 C ATOM 98 CG1 ILE A 157 -2.454 8.772 -3.388 1.00 0.00 C ATOM 99 CG2 ILE A 157 -4.154 7.397 -2.137 1.00 0.00 C ATOM 100 CD1 ILE A 157 -3.209 8.763 -4.698 1.00 0.00 C ATOM 0 H ILE A 157 -0.192 7.459 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 157 -2.021 8.470 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 157 -2.410 6.634 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -2.750 9.652 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -1.389 8.871 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -4.765 7.361 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.304 6.484 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -4.446 8.258 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -2.997 9.681 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -2.896 7.904 -5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -4.279 8.697 -4.501 1.00 0.00 H new ATOM 112 N ASP A 158 -2.760 6.498 0.665 1.00 0.00 N ATOM 113 CA ASP A 158 -3.019 5.403 1.584 1.00 0.00 C ATOM 114 C ASP A 158 -4.093 4.494 1.007 1.00 0.00 C ATOM 115 O ASP A 158 -4.977 4.964 0.288 1.00 0.00 O ATOM 116 CB ASP A 158 -3.446 5.934 2.954 1.00 0.00 C ATOM 117 CG ASP A 158 -3.509 4.851 3.991 1.00 0.00 C ATOM 118 OD1 ASP A 158 -2.455 4.506 4.564 1.00 0.00 O ATOM 119 OD2 ASP A 158 -4.590 4.301 4.229 1.00 0.00 O ATOM 0 H ASP A 158 -3.228 7.372 0.905 1.00 0.00 H new ATOM 0 HA ASP A 158 -2.101 4.831 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -2.745 6.703 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -4.423 6.409 2.868 1.00 0.00 H new ATOM 124 N LEU A 159 -4.030 3.216 1.331 1.00 0.00 N ATOM 125 CA LEU A 159 -4.941 2.219 0.779 1.00 0.00 C ATOM 126 C LEU A 159 -6.330 2.253 1.431 1.00 0.00 C ATOM 127 O LEU A 159 -7.221 1.464 1.057 1.00 0.00 O ATOM 128 CB LEU A 159 -4.325 0.819 0.892 1.00 0.00 C ATOM 129 CG LEU A 159 -2.942 0.647 0.244 1.00 0.00 C ATOM 130 CD1 LEU A 159 -2.452 -0.778 0.377 1.00 0.00 C ATOM 131 CD2 LEU A 159 -2.967 1.066 -1.211 1.00 0.00 C ATOM 0 H LEU A 159 -3.346 2.835 1.985 1.00 0.00 H new ATOM 0 HA LEU A 159 -5.086 2.468 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -4.246 0.561 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -5.010 0.103 0.439 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.246 1.297 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.472 -0.871 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -2.377 -1.040 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -3.154 -1.451 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -1.976 0.934 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -3.685 0.452 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -3.258 2.114 -1.283 1.00 0.00 H new ATOM 143 N PHE A 160 -6.522 3.133 2.411 1.00 0.00 N ATOM 144 CA PHE A 160 -7.824 3.295 3.018 1.00 0.00 C ATOM 145 C PHE A 160 -8.784 3.852 1.976 1.00 0.00 C ATOM 146 O PHE A 160 -8.673 5.003 1.537 1.00 0.00 O ATOM 147 CB PHE A 160 -7.764 4.178 4.270 1.00 0.00 C ATOM 148 CG PHE A 160 -9.078 4.329 4.984 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.767 3.214 5.444 1.00 0.00 C ATOM 150 CD2 PHE A 160 -9.619 5.583 5.209 1.00 0.00 C ATOM 151 CE1 PHE A 160 -10.965 3.352 6.112 1.00 0.00 C ATOM 152 CE2 PHE A 160 -10.817 5.725 5.877 1.00 0.00 C ATOM 153 CZ PHE A 160 -11.491 4.609 6.326 1.00 0.00 C ATOM 0 H PHE A 160 -5.794 3.736 2.793 1.00 0.00 H new ATOM 0 HA PHE A 160 -8.186 2.324 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -7.034 3.758 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -7.402 5.166 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -9.360 2.228 5.276 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -9.097 6.460 4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -11.491 2.478 6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -11.227 6.709 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 160 -12.431 4.719 6.846 1.00 0.00 H new ATOM 163 N GLY A 161 -9.693 3.014 1.584 1.00 0.00 N ATOM 164 CA GLY A 161 -10.591 3.297 0.512 1.00 0.00 C ATOM 165 C GLY A 161 -10.819 2.031 -0.255 1.00 0.00 C ATOM 166 O GLY A 161 -11.947 1.667 -0.557 1.00 0.00 O ATOM 0 H GLY A 161 -9.833 2.097 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -11.535 3.682 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.175 4.066 -0.139 1.00 0.00 H new ATOM 170 N SER A 162 -9.739 1.310 -0.500 1.00 0.00 N ATOM 171 CA SER A 162 -9.799 0.014 -1.159 1.00 0.00 C ATOM 172 C SER A 162 -10.300 -1.021 -0.143 1.00 0.00 C ATOM 173 O SER A 162 -10.779 -2.089 -0.480 1.00 0.00 O ATOM 174 CB SER A 162 -8.403 -0.356 -1.640 1.00 0.00 C ATOM 175 OG SER A 162 -7.825 0.707 -2.382 1.00 0.00 O ATOM 0 H SER A 162 -8.796 1.605 -0.248 1.00 0.00 H new ATOM 0 HA SER A 162 -10.475 0.043 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 162 -7.770 -0.594 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 162 -8.453 -1.252 -2.259 1.00 0.00 H new ATOM 0 HG SER A 162 -6.928 0.448 -2.680 1.00 0.00 H new ATOM 181 N ASP A 163 -10.187 -0.632 1.110 1.00 0.00 N ATOM 182 CA ASP A 163 -10.616 -1.415 2.265 1.00 0.00 C ATOM 183 C ASP A 163 -12.147 -1.397 2.405 1.00 0.00 C ATOM 184 O ASP A 163 -12.721 -2.222 3.105 1.00 0.00 O ATOM 185 CB ASP A 163 -9.953 -0.820 3.528 1.00 0.00 C ATOM 186 CG ASP A 163 -10.335 -1.503 4.831 1.00 0.00 C ATOM 187 OD1 ASP A 163 -9.864 -2.630 5.091 1.00 0.00 O ATOM 188 OD2 ASP A 163 -11.050 -0.898 5.645 1.00 0.00 O ATOM 0 H ASP A 163 -9.781 0.267 1.368 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.312 -2.454 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.870 -0.871 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.217 0.235 3.597 1.00 0.00 H new ATOM 193 N ASN A 164 -12.792 -0.471 1.703 1.00 0.00 N ATOM 194 CA ASN A 164 -14.248 -0.290 1.793 1.00 0.00 C ATOM 195 C ASN A 164 -15.010 -1.458 1.205 1.00 0.00 C ATOM 196 O ASN A 164 -15.733 -2.148 1.920 1.00 0.00 O ATOM 197 CB ASN A 164 -14.710 1.021 1.139 1.00 0.00 C ATOM 198 CG ASN A 164 -14.313 2.273 1.906 1.00 0.00 C ATOM 199 OD1 ASN A 164 -13.283 2.323 2.600 1.00 0.00 O ATOM 200 ND2 ASN A 164 -15.114 3.302 1.783 1.00 0.00 N ATOM 0 H ASN A 164 -12.331 0.173 1.060 1.00 0.00 H new ATOM 0 HA ASN A 164 -14.475 -0.240 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -14.295 1.078 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -15.795 1.000 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -14.900 4.175 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -15.952 3.230 1.206 1.00 0.00 H new ATOM 207 N GLU A 165 -14.862 -1.686 -0.083 1.00 0.00 N ATOM 208 CA GLU A 165 -15.541 -2.788 -0.712 1.00 0.00 C ATOM 209 C GLU A 165 -14.875 -4.081 -0.351 1.00 0.00 C ATOM 210 O GLU A 165 -13.743 -4.339 -0.741 1.00 0.00 O ATOM 211 CB GLU A 165 -15.627 -2.610 -2.222 1.00 0.00 C ATOM 212 CG GLU A 165 -16.622 -1.549 -2.640 1.00 0.00 C ATOM 213 CD GLU A 165 -18.041 -1.933 -2.285 1.00 0.00 C ATOM 214 OE1 GLU A 165 -18.468 -1.723 -1.139 1.00 0.00 O ATOM 215 OE2 GLU A 165 -18.755 -2.457 -3.162 1.00 0.00 O ATOM 0 H GLU A 165 -14.281 -1.125 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 165 -16.565 -2.812 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -14.642 -2.347 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -15.905 -3.560 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -16.370 -0.605 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -16.548 -1.386 -3.715 1.00 0.00 H new ATOM 222 N GLU A 166 -15.588 -4.903 0.373 1.00 0.00 N ATOM 223 CA GLU A 166 -15.059 -6.152 0.864 1.00 0.00 C ATOM 224 C GLU A 166 -14.771 -7.136 -0.254 1.00 0.00 C ATOM 225 O GLU A 166 -13.997 -8.056 -0.072 1.00 0.00 O ATOM 226 CB GLU A 166 -15.977 -6.762 1.904 1.00 0.00 C ATOM 227 CG GLU A 166 -17.386 -7.011 1.416 1.00 0.00 C ATOM 228 CD GLU A 166 -18.226 -7.628 2.474 1.00 0.00 C ATOM 229 OE1 GLU A 166 -18.759 -6.892 3.336 1.00 0.00 O ATOM 230 OE2 GLU A 166 -18.373 -8.861 2.489 1.00 0.00 O ATOM 0 H GLU A 166 -16.556 -4.726 0.641 1.00 0.00 H new ATOM 0 HA GLU A 166 -14.105 -5.926 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -15.549 -7.706 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -16.016 -6.102 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -17.834 -6.070 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -17.360 -7.664 0.543 1.00 0.00 H new ATOM 237 N GLU A 167 -15.384 -6.944 -1.406 1.00 0.00 N ATOM 238 CA GLU A 167 -15.109 -7.802 -2.536 1.00 0.00 C ATOM 239 C GLU A 167 -13.821 -7.340 -3.226 1.00 0.00 C ATOM 240 O GLU A 167 -13.127 -8.129 -3.880 1.00 0.00 O ATOM 241 CB GLU A 167 -16.272 -7.803 -3.538 1.00 0.00 C ATOM 242 CG GLU A 167 -16.104 -8.823 -4.659 1.00 0.00 C ATOM 243 CD GLU A 167 -17.172 -8.729 -5.711 1.00 0.00 C ATOM 244 OE1 GLU A 167 -18.296 -9.207 -5.481 1.00 0.00 O ATOM 245 OE2 GLU A 167 -16.892 -8.201 -6.808 1.00 0.00 O ATOM 0 H GLU A 167 -16.069 -6.208 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 167 -14.987 -8.821 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -17.201 -8.009 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -16.368 -6.808 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -15.129 -8.682 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -16.111 -9.826 -4.233 1.00 0.00 H new ATOM 252 N ASP A 168 -13.476 -6.082 -3.035 1.00 0.00 N ATOM 253 CA ASP A 168 -12.301 -5.511 -3.689 1.00 0.00 C ATOM 254 C ASP A 168 -11.158 -5.475 -2.711 1.00 0.00 C ATOM 255 O ASP A 168 -10.045 -5.123 -3.049 1.00 0.00 O ATOM 256 CB ASP A 168 -12.576 -4.091 -4.135 1.00 0.00 C ATOM 257 CG ASP A 168 -11.635 -3.606 -5.218 1.00 0.00 C ATOM 258 OD1 ASP A 168 -11.861 -3.961 -6.401 1.00 0.00 O ATOM 259 OD2 ASP A 168 -10.707 -2.820 -4.936 1.00 0.00 O ATOM 0 H ASP A 168 -13.986 -5.433 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 168 -12.057 -6.127 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -13.601 -4.025 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -12.500 -3.427 -3.274 1.00 0.00 H new ATOM 264 N LYS A 169 -11.428 -5.862 -1.490 1.00 0.00 N ATOM 265 CA LYS A 169 -10.421 -5.828 -0.467 1.00 0.00 C ATOM 266 C LYS A 169 -9.283 -6.798 -0.766 1.00 0.00 C ATOM 267 O LYS A 169 -8.148 -6.550 -0.392 1.00 0.00 O ATOM 268 CB LYS A 169 -11.011 -6.011 0.931 1.00 0.00 C ATOM 269 CG LYS A 169 -9.972 -5.903 2.026 1.00 0.00 C ATOM 270 CD LYS A 169 -10.596 -5.759 3.383 1.00 0.00 C ATOM 271 CE LYS A 169 -9.525 -5.694 4.445 1.00 0.00 C ATOM 272 NZ LYS A 169 -10.075 -5.311 5.751 1.00 0.00 N ATOM 0 H LYS A 169 -12.338 -6.204 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 169 -9.984 -4.829 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -11.784 -5.260 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.495 -6.986 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.337 -6.789 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.328 -5.046 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.207 -4.857 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.260 -6.601 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -9.035 -6.664 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -8.761 -4.976 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -9.449 -5.657 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -10.146 -4.275 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -11.020 -5.730 5.866 1.00 0.00 H new ATOM 286 N GLU A 170 -9.574 -7.870 -1.493 1.00 0.00 N ATOM 287 CA GLU A 170 -8.519 -8.774 -1.935 1.00 0.00 C ATOM 288 C GLU A 170 -7.580 -8.044 -2.896 1.00 0.00 C ATOM 289 O GLU A 170 -6.392 -8.390 -3.004 1.00 0.00 O ATOM 290 CB GLU A 170 -9.063 -10.042 -2.596 1.00 0.00 C ATOM 291 CG GLU A 170 -9.876 -9.809 -3.851 1.00 0.00 C ATOM 292 CD GLU A 170 -10.231 -11.095 -4.534 1.00 0.00 C ATOM 293 OE1 GLU A 170 -11.273 -11.679 -4.210 1.00 0.00 O ATOM 294 OE2 GLU A 170 -9.477 -11.538 -5.417 1.00 0.00 O ATOM 0 H GLU A 170 -10.515 -8.132 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 170 -7.973 -9.089 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -8.225 -10.695 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -9.682 -10.574 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -10.788 -9.269 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -9.312 -9.177 -4.537 1.00 0.00 H new ATOM 301 N ALA A 171 -8.098 -7.008 -3.566 1.00 0.00 N ATOM 302 CA ALA A 171 -7.288 -6.225 -4.446 1.00 0.00 C ATOM 303 C ALA A 171 -6.445 -5.306 -3.599 1.00 0.00 C ATOM 304 O ALA A 171 -5.267 -5.156 -3.845 1.00 0.00 O ATOM 305 CB ALA A 171 -8.134 -5.450 -5.446 1.00 0.00 C ATOM 0 H ALA A 171 -9.071 -6.710 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 171 -6.646 -6.876 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -7.484 -4.867 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -8.718 -6.148 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -8.807 -4.780 -4.911 1.00 0.00 H new ATOM 311 N ALA A 172 -7.060 -4.747 -2.549 1.00 0.00 N ATOM 312 CA ALA A 172 -6.363 -3.898 -1.570 1.00 0.00 C ATOM 313 C ALA A 172 -5.203 -4.660 -0.946 1.00 0.00 C ATOM 314 O ALA A 172 -4.106 -4.120 -0.765 1.00 0.00 O ATOM 315 CB ALA A 172 -7.321 -3.442 -0.483 1.00 0.00 C ATOM 0 H ALA A 172 -8.053 -4.869 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 172 -5.977 -3.021 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -6.788 -2.815 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -8.134 -2.871 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -7.729 -4.312 0.031 1.00 0.00 H new ATOM 321 N GLN A 173 -5.459 -5.921 -0.645 1.00 0.00 N ATOM 322 CA GLN A 173 -4.466 -6.820 -0.105 1.00 0.00 C ATOM 323 C GLN A 173 -3.277 -6.944 -1.040 1.00 0.00 C ATOM 324 O GLN A 173 -2.147 -6.687 -0.649 1.00 0.00 O ATOM 325 CB GLN A 173 -5.063 -8.197 0.133 1.00 0.00 C ATOM 326 CG GLN A 173 -6.144 -8.268 1.208 1.00 0.00 C ATOM 327 CD GLN A 173 -5.720 -7.734 2.577 1.00 0.00 C ATOM 328 OE1 GLN A 173 -6.548 -7.220 3.330 1.00 0.00 O ATOM 329 NE2 GLN A 173 -4.468 -7.883 2.929 1.00 0.00 N ATOM 0 H GLN A 173 -6.375 -6.350 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 173 -4.128 -6.404 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -5.484 -8.558 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -4.259 -8.880 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -7.014 -7.706 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -6.459 -9.306 1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -3.805 -8.312 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.156 -7.570 3.848 1.00 0.00 H new ATOM 338 N LEU A 174 -3.540 -7.328 -2.276 1.00 0.00 N ATOM 339 CA LEU A 174 -2.473 -7.465 -3.269 1.00 0.00 C ATOM 340 C LEU A 174 -1.779 -6.123 -3.575 1.00 0.00 C ATOM 341 O LEU A 174 -0.608 -6.113 -3.960 1.00 0.00 O ATOM 342 CB LEU A 174 -2.957 -8.202 -4.541 1.00 0.00 C ATOM 343 CG LEU A 174 -4.030 -7.525 -5.399 1.00 0.00 C ATOM 344 CD1 LEU A 174 -3.432 -6.541 -6.409 1.00 0.00 C ATOM 345 CD2 LEU A 174 -4.905 -8.554 -6.072 1.00 0.00 C ATOM 0 H LEU A 174 -4.474 -7.551 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 174 -1.705 -8.099 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -2.088 -8.382 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -3.338 -9.177 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.657 -6.935 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -4.233 -6.087 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.884 -5.762 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -2.753 -7.072 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.660 -8.051 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.293 -9.190 -6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.395 -9.166 -5.315 1.00 0.00 H new ATOM 357 N ARG A 175 -2.505 -4.985 -3.406 1.00 0.00 N ATOM 358 CA ARG A 175 -1.885 -3.654 -3.546 1.00 0.00 C ATOM 359 C ARG A 175 -0.768 -3.568 -2.523 1.00 0.00 C ATOM 360 O ARG A 175 0.372 -3.257 -2.851 1.00 0.00 O ATOM 361 CB ARG A 175 -2.854 -2.492 -3.231 1.00 0.00 C ATOM 362 CG ARG A 175 -4.173 -2.433 -3.984 1.00 0.00 C ATOM 363 CD ARG A 175 -4.048 -2.226 -5.482 1.00 0.00 C ATOM 364 NE ARG A 175 -5.388 -2.169 -6.084 1.00 0.00 N ATOM 365 CZ ARG A 175 -5.698 -1.697 -7.295 1.00 0.00 C ATOM 366 NH1 ARG A 175 -4.779 -1.116 -8.051 1.00 0.00 N ATOM 367 NH2 ARG A 175 -6.949 -1.759 -7.719 1.00 0.00 N ATOM 0 H ARG A 175 -3.499 -4.968 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 175 -1.554 -3.554 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -3.080 -2.527 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 175 -2.324 -1.557 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 175 -4.718 -3.360 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -4.775 -1.624 -3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -3.506 -1.303 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -3.473 -3.039 -5.925 1.00 0.00 H new ATOM 0 HE ARG A 175 -6.159 -2.526 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -3.822 -1.025 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -5.028 -0.760 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -7.670 -2.165 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -7.193 -1.401 -8.642 1.00 0.00 H new ATOM 381 N GLU A 176 -1.127 -3.887 -1.278 1.00 0.00 N ATOM 382 CA GLU A 176 -0.211 -3.886 -0.157 1.00 0.00 C ATOM 383 C GLU A 176 0.939 -4.846 -0.420 1.00 0.00 C ATOM 384 O GLU A 176 2.076 -4.463 -0.317 1.00 0.00 O ATOM 385 CB GLU A 176 -0.962 -4.273 1.123 1.00 0.00 C ATOM 386 CG GLU A 176 -0.104 -4.373 2.379 1.00 0.00 C ATOM 387 CD GLU A 176 0.601 -3.090 2.746 1.00 0.00 C ATOM 388 OE1 GLU A 176 -0.072 -2.061 2.939 1.00 0.00 O ATOM 389 OE2 GLU A 176 1.837 -3.101 2.915 1.00 0.00 O ATOM 0 H GLU A 176 -2.078 -4.156 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 176 0.203 -2.886 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -1.749 -3.539 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -1.452 -5.233 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.734 -4.680 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.640 -5.156 2.236 1.00 0.00 H new ATOM 396 N GLU A 177 0.617 -6.070 -0.804 1.00 0.00 N ATOM 397 CA GLU A 177 1.615 -7.101 -1.099 1.00 0.00 C ATOM 398 C GLU A 177 2.682 -6.641 -2.093 1.00 0.00 C ATOM 399 O GLU A 177 3.896 -6.721 -1.789 1.00 0.00 O ATOM 400 CB GLU A 177 0.946 -8.374 -1.593 1.00 0.00 C ATOM 401 CG GLU A 177 0.209 -9.133 -0.510 1.00 0.00 C ATOM 402 CD GLU A 177 1.156 -9.685 0.528 1.00 0.00 C ATOM 403 OE1 GLU A 177 1.923 -10.622 0.191 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.147 -9.218 1.696 1.00 0.00 O ATOM 0 H GLU A 177 -0.346 -6.384 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 177 2.129 -7.304 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 177 0.245 -8.121 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 177 1.703 -9.025 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -0.513 -8.472 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -0.356 -9.950 -0.958 1.00 0.00 H new ATOM 411 N ARG A 178 2.257 -6.122 -3.249 1.00 0.00 N ATOM 412 CA ARG A 178 3.201 -5.704 -4.267 1.00 0.00 C ATOM 413 C ARG A 178 3.950 -4.441 -3.839 1.00 0.00 C ATOM 414 O ARG A 178 5.126 -4.273 -4.150 1.00 0.00 O ATOM 415 CB ARG A 178 2.512 -5.499 -5.623 1.00 0.00 C ATOM 416 CG ARG A 178 1.475 -4.397 -5.634 1.00 0.00 C ATOM 417 CD ARG A 178 0.828 -4.242 -6.986 1.00 0.00 C ATOM 418 NE ARG A 178 1.816 -3.966 -8.044 1.00 0.00 N ATOM 419 CZ ARG A 178 1.956 -2.798 -8.707 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.191 -1.755 -8.409 1.00 0.00 N ATOM 421 NH2 ARG A 178 2.857 -2.690 -9.674 1.00 0.00 N ATOM 0 H ARG A 178 1.276 -5.986 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 178 3.930 -6.506 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 178 3.271 -5.275 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 178 2.036 -6.433 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 178 0.709 -4.613 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 178 1.944 -3.456 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 178 0.279 -5.151 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 178 0.101 -3.431 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 178 2.450 -4.724 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 178 0.489 -1.831 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 178 1.305 -0.877 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 178 3.443 -3.489 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 178 2.964 -1.808 -10.176 1.00 0.00 H new ATOM 435 N LEU A 179 3.281 -3.575 -3.103 1.00 0.00 N ATOM 436 CA LEU A 179 3.892 -2.344 -2.638 1.00 0.00 C ATOM 437 C LEU A 179 4.886 -2.642 -1.521 1.00 0.00 C ATOM 438 O LEU A 179 5.944 -2.035 -1.434 1.00 0.00 O ATOM 439 CB LEU A 179 2.812 -1.361 -2.157 1.00 0.00 C ATOM 440 CG LEU A 179 3.288 0.012 -1.670 1.00 0.00 C ATOM 441 CD1 LEU A 179 4.003 0.765 -2.782 1.00 0.00 C ATOM 442 CD2 LEU A 179 2.109 0.822 -1.148 1.00 0.00 C ATOM 0 H LEU A 179 2.311 -3.701 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 179 4.430 -1.882 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 179 2.108 -1.205 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 179 2.259 -1.835 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 179 3.997 -0.139 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 179 4.331 1.736 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 179 4.869 0.191 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.322 0.908 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.460 1.795 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 179 1.380 0.960 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 179 1.642 0.291 -0.318 1.00 0.00 H new ATOM 454 N ARG A 180 4.553 -3.611 -0.703 1.00 0.00 N ATOM 455 CA ARG A 180 5.368 -3.995 0.421 1.00 0.00 C ATOM 456 C ARG A 180 6.688 -4.594 -0.023 1.00 0.00 C ATOM 457 O ARG A 180 7.713 -4.182 0.454 1.00 0.00 O ATOM 458 CB ARG A 180 4.608 -4.936 1.359 1.00 0.00 C ATOM 459 CG ARG A 180 5.368 -5.320 2.615 1.00 0.00 C ATOM 460 CD ARG A 180 4.476 -6.072 3.586 1.00 0.00 C ATOM 461 NE ARG A 180 3.330 -5.253 4.028 1.00 0.00 N ATOM 462 CZ ARG A 180 2.565 -5.504 5.096 1.00 0.00 C ATOM 463 NH1 ARG A 180 2.794 -6.567 5.857 1.00 0.00 N ATOM 464 NH2 ARG A 180 1.578 -4.675 5.396 1.00 0.00 N ATOM 0 H ARG A 180 3.699 -4.160 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 180 5.601 -3.090 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 180 3.670 -4.462 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 180 4.351 -5.844 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 180 6.225 -5.939 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 180 5.759 -4.423 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 180 4.110 -6.983 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 180 5.060 -6.377 4.454 1.00 0.00 H new ATOM 0 HE ARG A 180 3.103 -4.428 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 180 3.559 -7.202 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 180 2.205 -6.749 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 180 1.407 -3.854 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 180 0.988 -4.857 6.208 1.00 0.00 H new ATOM 478 N GLN A 181 6.666 -5.527 -0.977 1.00 0.00 N ATOM 479 CA GLN A 181 7.913 -6.146 -1.459 1.00 0.00 C ATOM 480 C GLN A 181 8.814 -5.102 -2.137 1.00 0.00 C ATOM 481 O GLN A 181 10.043 -5.166 -2.064 1.00 0.00 O ATOM 482 CB GLN A 181 7.611 -7.299 -2.405 1.00 0.00 C ATOM 483 CG GLN A 181 6.834 -6.899 -3.642 1.00 0.00 C ATOM 484 CD GLN A 181 6.641 -8.029 -4.614 1.00 0.00 C ATOM 485 OE1 GLN A 181 6.576 -9.201 -4.222 1.00 0.00 O ATOM 486 NE2 GLN A 181 6.516 -7.703 -5.865 1.00 0.00 N ATOM 0 H GLN A 181 5.817 -5.869 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 181 8.449 -6.546 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 181 8.551 -7.758 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 181 7.047 -8.059 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.858 -6.516 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.356 -6.083 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.576 -6.724 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.358 -8.426 -6.567 1.00 0.00 H new ATOM 495 N TYR A 182 8.168 -4.140 -2.752 1.00 0.00 N ATOM 496 CA TYR A 182 8.804 -3.011 -3.407 1.00 0.00 C ATOM 497 C TYR A 182 9.512 -2.170 -2.336 1.00 0.00 C ATOM 498 O TYR A 182 10.698 -1.824 -2.463 1.00 0.00 O ATOM 499 CB TYR A 182 7.684 -2.223 -4.104 1.00 0.00 C ATOM 500 CG TYR A 182 8.061 -1.001 -4.900 1.00 0.00 C ATOM 501 CD1 TYR A 182 8.681 -1.107 -6.139 1.00 0.00 C ATOM 502 CD2 TYR A 182 7.723 0.262 -4.443 1.00 0.00 C ATOM 503 CE1 TYR A 182 8.952 0.018 -6.895 1.00 0.00 C ATOM 504 CE2 TYR A 182 8.002 1.388 -5.184 1.00 0.00 C ATOM 505 CZ TYR A 182 8.611 1.262 -6.407 1.00 0.00 C ATOM 506 OH TYR A 182 8.857 2.386 -7.167 1.00 0.00 O ATOM 0 H TYR A 182 7.150 -4.117 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 182 9.550 -3.311 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 182 7.162 -2.908 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 182 6.969 -1.915 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 182 8.955 -2.081 -6.516 1.00 0.00 H new ATOM 0 HD2 TYR A 182 7.231 0.365 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 182 9.427 -0.076 -7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 182 7.743 2.365 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 182 8.557 3.182 -6.680 1.00 0.00 H new ATOM 516 N ALA A 183 8.779 -1.913 -1.259 1.00 0.00 N ATOM 517 CA ALA A 183 9.268 -1.177 -0.112 1.00 0.00 C ATOM 518 C ALA A 183 10.405 -1.917 0.572 1.00 0.00 C ATOM 519 O ALA A 183 11.369 -1.304 1.008 1.00 0.00 O ATOM 520 CB ALA A 183 8.146 -0.958 0.877 1.00 0.00 C ATOM 0 H ALA A 183 7.811 -2.219 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 183 9.643 -0.216 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 183 8.522 -0.404 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 183 7.347 -0.390 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 183 7.759 -1.922 1.208 1.00 0.00 H new ATOM 526 N GLU A 184 10.254 -3.234 0.678 1.00 0.00 N ATOM 527 CA GLU A 184 11.248 -4.123 1.267 1.00 0.00 C ATOM 528 C GLU A 184 12.591 -3.968 0.590 1.00 0.00 C ATOM 529 O GLU A 184 13.604 -3.773 1.242 1.00 0.00 O ATOM 530 CB GLU A 184 10.803 -5.590 1.127 1.00 0.00 C ATOM 531 CG GLU A 184 9.626 -6.009 1.997 1.00 0.00 C ATOM 532 CD GLU A 184 9.927 -5.897 3.461 1.00 0.00 C ATOM 533 OE1 GLU A 184 10.517 -6.826 4.029 1.00 0.00 O ATOM 534 OE2 GLU A 184 9.628 -4.864 4.070 1.00 0.00 O ATOM 0 H GLU A 184 9.420 -3.722 0.350 1.00 0.00 H new ATOM 0 HA GLU A 184 11.340 -3.854 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.544 -5.774 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 184 11.652 -6.232 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 184 8.762 -5.388 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 184 9.353 -7.038 1.763 1.00 0.00 H new ATOM 541 N LYS A 185 12.576 -4.057 -0.709 1.00 0.00 N ATOM 542 CA LYS A 185 13.785 -4.004 -1.503 1.00 0.00 C ATOM 543 C LYS A 185 14.472 -2.646 -1.481 1.00 0.00 C ATOM 544 O LYS A 185 15.662 -2.552 -1.164 1.00 0.00 O ATOM 545 CB LYS A 185 13.494 -4.372 -2.956 1.00 0.00 C ATOM 546 CG LYS A 185 13.019 -5.799 -3.184 1.00 0.00 C ATOM 547 CD LYS A 185 12.697 -6.045 -4.656 1.00 0.00 C ATOM 548 CE LYS A 185 13.907 -5.801 -5.549 1.00 0.00 C ATOM 549 NZ LYS A 185 13.612 -6.034 -6.974 1.00 0.00 N ATOM 0 H LYS A 185 11.723 -4.169 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 185 14.461 -4.727 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 185 12.737 -3.689 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 185 14.398 -4.210 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 185 13.788 -6.498 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 185 12.134 -5.992 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 185 12.351 -7.070 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 185 11.881 -5.391 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.252 -4.776 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 185 14.722 -6.455 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 14.466 -5.855 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 13.308 -7.019 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 12.853 -5.392 -7.281 1.00 0.00 H new ATOM 563 N LYS A 186 13.738 -1.607 -1.800 1.00 0.00 N ATOM 564 CA LYS A 186 14.363 -0.336 -2.077 1.00 0.00 C ATOM 565 C LYS A 186 14.218 0.727 -0.969 1.00 0.00 C ATOM 566 O LYS A 186 15.115 1.558 -0.786 1.00 0.00 O ATOM 567 CB LYS A 186 13.836 0.152 -3.404 1.00 0.00 C ATOM 568 CG LYS A 186 14.502 1.382 -3.961 1.00 0.00 C ATOM 569 CD LYS A 186 13.992 1.667 -5.352 1.00 0.00 C ATOM 570 CE LYS A 186 14.607 2.919 -5.912 1.00 0.00 C ATOM 571 NZ LYS A 186 14.138 3.200 -7.273 1.00 0.00 N ATOM 0 H LYS A 186 12.721 -1.615 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 186 15.440 -0.498 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 186 13.936 -0.653 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 186 12.770 0.355 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 186 14.306 2.236 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 186 15.583 1.240 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 186 14.219 0.824 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 186 12.907 1.770 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 186 14.367 3.762 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.692 2.819 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.586 4.071 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 14.390 2.407 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 13.105 3.321 -7.266 1.00 0.00 H new ATOM 585 N ALA A 187 13.139 0.705 -0.229 1.00 0.00 N ATOM 586 CA ALA A 187 12.922 1.731 0.786 1.00 0.00 C ATOM 587 C ALA A 187 13.465 1.275 2.136 1.00 0.00 C ATOM 588 O ALA A 187 13.663 0.071 2.361 1.00 0.00 O ATOM 589 CB ALA A 187 11.446 2.090 0.876 1.00 0.00 C ATOM 0 H ALA A 187 12.401 0.004 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 187 13.467 2.629 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 187 11.304 2.856 1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 187 11.104 2.468 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 187 10.871 1.203 1.142 1.00 0.00 H new ATOM 595 N LYS A 188 13.723 2.209 3.028 1.00 0.00 N ATOM 596 CA LYS A 188 14.268 1.873 4.325 1.00 0.00 C ATOM 597 C LYS A 188 13.518 2.559 5.465 1.00 0.00 C ATOM 598 O LYS A 188 13.728 3.745 5.734 1.00 0.00 O ATOM 599 CB LYS A 188 15.755 2.216 4.424 1.00 0.00 C ATOM 600 CG LYS A 188 16.365 1.783 5.750 1.00 0.00 C ATOM 601 CD LYS A 188 17.766 2.301 5.923 1.00 0.00 C ATOM 602 CE LYS A 188 18.340 1.852 7.251 1.00 0.00 C ATOM 603 NZ LYS A 188 19.669 2.418 7.498 1.00 0.00 N ATOM 0 H LYS A 188 13.564 3.205 2.878 1.00 0.00 H new ATOM 0 HA LYS A 188 14.144 0.795 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 188 16.291 1.734 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 188 15.886 3.291 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 188 15.742 2.142 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 188 16.372 0.695 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 188 18.395 1.942 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 188 17.766 3.390 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 188 17.666 2.147 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 188 18.401 0.764 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 20.023 2.084 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 20.320 2.116 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 19.608 3.456 7.507 1.00 0.00 H new ATOM 617 N LYS A 189 12.654 1.790 6.108 1.00 0.00 N ATOM 618 CA LYS A 189 11.903 2.181 7.308 1.00 0.00 C ATOM 619 C LYS A 189 11.192 3.555 7.183 1.00 0.00 C ATOM 620 O LYS A 189 11.633 4.550 7.764 1.00 0.00 O ATOM 621 CB LYS A 189 12.820 2.106 8.556 1.00 0.00 C ATOM 622 CG LYS A 189 12.142 2.361 9.902 1.00 0.00 C ATOM 623 CD LYS A 189 11.030 1.367 10.165 1.00 0.00 C ATOM 624 CE LYS A 189 10.425 1.572 11.534 1.00 0.00 C ATOM 625 NZ LYS A 189 9.263 0.696 11.754 1.00 0.00 N ATOM 0 H LYS A 189 12.443 0.840 5.804 1.00 0.00 H new ATOM 0 HA LYS A 189 11.091 1.463 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 189 13.281 1.119 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 189 13.626 2.830 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 189 12.882 2.299 10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 189 11.738 3.373 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 189 10.257 1.472 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 189 11.420 0.352 10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 189 11.178 1.376 12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 189 10.122 2.613 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 9.186 0.469 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 8.398 1.181 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 9.383 -0.183 11.211 1.00 0.00 H new ATOM 639 N PRO A 190 10.126 3.640 6.369 1.00 0.00 N ATOM 640 CA PRO A 190 9.361 4.872 6.210 1.00 0.00 C ATOM 641 C PRO A 190 8.368 5.085 7.360 1.00 0.00 C ATOM 642 O PRO A 190 8.146 6.214 7.815 1.00 0.00 O ATOM 643 CB PRO A 190 8.609 4.661 4.879 1.00 0.00 C ATOM 644 CG PRO A 190 9.153 3.386 4.313 1.00 0.00 C ATOM 645 CD PRO A 190 9.623 2.591 5.486 1.00 0.00 C ATOM 0 HA PRO A 190 10.000 5.755 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 190 7.534 4.591 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 190 8.774 5.496 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 190 8.387 2.847 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 190 9.971 3.583 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 190 8.815 2.021 5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 190 10.401 1.878 5.213 1.00 0.00 H new ATOM 653 N ALA A 191 7.782 4.013 7.848 1.00 0.00 N ATOM 654 CA ALA A 191 6.817 4.115 8.904 1.00 0.00 C ATOM 655 C ALA A 191 7.479 3.853 10.233 1.00 0.00 C ATOM 656 O ALA A 191 7.572 2.713 10.691 1.00 0.00 O ATOM 657 CB ALA A 191 5.629 3.188 8.678 1.00 0.00 C ATOM 0 H ALA A 191 7.962 3.062 7.525 1.00 0.00 H new ATOM 0 HA ALA A 191 6.421 5.131 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.922 3.296 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.138 3.448 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 191 5.977 2.156 8.632 1.00 0.00 H new ATOM 663 N LEU A 192 8.007 4.892 10.804 1.00 0.00 N ATOM 664 CA LEU A 192 8.650 4.809 12.070 1.00 0.00 C ATOM 665 C LEU A 192 7.782 5.425 13.136 1.00 0.00 C ATOM 666 O LEU A 192 7.583 6.631 13.131 1.00 0.00 O ATOM 667 CB LEU A 192 10.137 5.311 12.029 1.00 0.00 C ATOM 668 CG LEU A 192 10.459 6.694 11.403 1.00 0.00 C ATOM 669 CD1 LEU A 192 10.213 7.847 12.365 1.00 0.00 C ATOM 670 CD2 LEU A 192 11.889 6.722 10.886 1.00 0.00 C ATOM 671 OXT LEU A 192 7.235 4.668 13.973 1.00 0.00 O ATOM 0 H LEU A 192 8.001 5.827 10.397 1.00 0.00 H new ATOM 0 HA LEU A 192 8.758 3.761 12.348 1.00 0.00 H new ATOM 0 HB2 LEU A 192 10.506 5.323 13.054 1.00 0.00 H new ATOM 0 HB3 LEU A 192 10.719 4.564 11.489 1.00 0.00 H new ATOM 0 HG LEU A 192 9.773 6.832 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 192 10.455 8.789 11.873 1.00 0.00 H new ATOM 0 HD12 LEU A 192 9.165 7.853 12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 192 10.842 7.726 13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 192 12.099 7.699 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 192 12.578 6.537 11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 192 12.016 5.951 10.127 1.00 0.00 H new TER 683 LEU A 192