USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 331 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 152 SER OG : rot 180:sc= 0.077 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -111:sc= 0.152 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.015) USER MOD Single : A 181 GLN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 185 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.542) USER MOD Single : A 186 LYS NZ :NH3+ -164:sc= -0.0606 (180deg=-0.413) USER MOD Single : A 188 LYS NZ :NH3+ 166:sc= -0.0502 (180deg=-0.29) USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -7.464 10.620 13.127 1.00 0.00 N ATOM 2 CA GLY A 149 -7.212 9.205 12.884 1.00 0.00 C ATOM 3 C GLY A 149 -8.466 8.520 12.431 1.00 0.00 C ATOM 4 O GLY A 149 -9.504 8.672 13.069 1.00 0.00 O ATOM 0 HA2 GLY A 149 -6.435 9.092 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -6.841 8.734 13.794 1.00 0.00 H new ATOM 10 N PRO A 150 -8.425 7.778 11.321 1.00 0.00 N ATOM 11 CA PRO A 150 -9.599 7.088 10.803 1.00 0.00 C ATOM 12 C PRO A 150 -10.044 5.959 11.727 1.00 0.00 C ATOM 13 O PRO A 150 -9.210 5.238 12.295 1.00 0.00 O ATOM 14 CB PRO A 150 -9.124 6.518 9.462 1.00 0.00 C ATOM 15 CG PRO A 150 -7.652 6.403 9.601 1.00 0.00 C ATOM 16 CD PRO A 150 -7.233 7.539 10.480 1.00 0.00 C ATOM 0 HA PRO A 150 -10.458 7.753 10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.579 5.548 9.260 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -9.393 7.175 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -7.375 5.445 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.162 6.460 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.362 7.281 11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -6.968 8.422 9.898 1.00 0.00 H new ATOM 24 N GLY A 151 -11.336 5.836 11.918 1.00 0.00 N ATOM 25 CA GLY A 151 -11.847 4.745 12.717 1.00 0.00 C ATOM 26 C GLY A 151 -11.998 3.499 11.875 1.00 0.00 C ATOM 27 O GLY A 151 -11.026 2.783 11.616 1.00 0.00 O ATOM 0 H GLY A 151 -12.043 6.466 11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -11.172 4.549 13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -12.810 5.020 13.146 1.00 0.00 H new ATOM 31 N SER A 152 -13.194 3.280 11.400 1.00 0.00 N ATOM 32 CA SER A 152 -13.511 2.174 10.523 1.00 0.00 C ATOM 33 C SER A 152 -13.335 2.614 9.068 1.00 0.00 C ATOM 34 O SER A 152 -13.462 1.829 8.136 1.00 0.00 O ATOM 35 CB SER A 152 -14.948 1.769 10.798 1.00 0.00 C ATOM 36 OG SER A 152 -15.768 2.937 10.881 1.00 0.00 O ATOM 0 H SER A 152 -13.995 3.875 11.613 1.00 0.00 H new ATOM 0 HA SER A 152 -12.850 1.326 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 152 -15.310 1.114 10.005 1.00 0.00 H new ATOM 0 HB3 SER A 152 -15.006 1.205 11.729 1.00 0.00 H new ATOM 0 HG SER A 152 -16.695 2.674 11.057 1.00 0.00 H new ATOM 42 N GLU A 153 -12.952 3.879 8.921 1.00 0.00 N ATOM 43 CA GLU A 153 -12.788 4.588 7.645 1.00 0.00 C ATOM 44 C GLU A 153 -11.763 3.943 6.707 1.00 0.00 C ATOM 45 O GLU A 153 -11.629 4.355 5.559 1.00 0.00 O ATOM 46 CB GLU A 153 -12.368 6.020 7.934 1.00 0.00 C ATOM 47 CG GLU A 153 -13.374 6.811 8.741 1.00 0.00 C ATOM 48 CD GLU A 153 -12.780 8.072 9.303 1.00 0.00 C ATOM 49 OE1 GLU A 153 -12.548 9.044 8.546 1.00 0.00 O ATOM 50 OE2 GLU A 153 -12.537 8.115 10.525 1.00 0.00 O ATOM 0 H GLU A 153 -12.736 4.470 9.724 1.00 0.00 H new ATOM 0 HA GLU A 153 -13.748 4.544 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -11.419 6.007 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -12.193 6.533 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -14.227 7.062 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -13.751 6.193 9.556 1.00 0.00 H new ATOM 57 N ASP A 154 -11.034 2.969 7.184 1.00 0.00 N ATOM 58 CA ASP A 154 -10.061 2.321 6.340 1.00 0.00 C ATOM 59 C ASP A 154 -10.729 1.220 5.540 1.00 0.00 C ATOM 60 O ASP A 154 -10.855 1.309 4.321 1.00 0.00 O ATOM 61 CB ASP A 154 -8.896 1.746 7.143 1.00 0.00 C ATOM 62 CG ASP A 154 -7.772 1.290 6.233 1.00 0.00 C ATOM 63 OD1 ASP A 154 -7.772 0.127 5.771 1.00 0.00 O ATOM 64 OD2 ASP A 154 -6.873 2.104 5.938 1.00 0.00 O ATOM 0 H ASP A 154 -11.092 2.610 8.137 1.00 0.00 H new ATOM 0 HA ASP A 154 -9.654 3.075 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -8.522 2.499 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -9.245 0.906 7.743 1.00 0.00 H new ATOM 69 N ASP A 155 -11.243 0.238 6.239 1.00 0.00 N ATOM 70 CA ASP A 155 -11.827 -0.933 5.611 1.00 0.00 C ATOM 71 C ASP A 155 -13.255 -0.689 5.155 1.00 0.00 C ATOM 72 O ASP A 155 -13.778 -1.425 4.335 1.00 0.00 O ATOM 73 CB ASP A 155 -11.743 -2.145 6.529 1.00 0.00 C ATOM 74 CG ASP A 155 -12.496 -1.979 7.819 1.00 0.00 C ATOM 75 OD1 ASP A 155 -12.049 -1.178 8.683 1.00 0.00 O ATOM 76 OD2 ASP A 155 -13.521 -2.661 8.007 1.00 0.00 O ATOM 0 H ASP A 155 -11.271 0.223 7.259 1.00 0.00 H new ATOM 0 HA ASP A 155 -11.240 -1.142 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -12.131 -3.017 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -10.696 -2.348 6.753 1.00 0.00 H new ATOM 81 N ASP A 156 -13.880 0.355 5.671 1.00 0.00 N ATOM 82 CA ASP A 156 -15.225 0.741 5.207 1.00 0.00 C ATOM 83 C ASP A 156 -15.143 1.271 3.779 1.00 0.00 C ATOM 84 O ASP A 156 -16.064 1.128 2.976 1.00 0.00 O ATOM 85 CB ASP A 156 -15.843 1.797 6.137 1.00 0.00 C ATOM 86 CG ASP A 156 -17.198 2.292 5.674 1.00 0.00 C ATOM 87 OD1 ASP A 156 -18.166 1.504 5.673 1.00 0.00 O ATOM 88 OD2 ASP A 156 -17.330 3.492 5.343 1.00 0.00 O ATOM 0 H ASP A 156 -13.494 0.952 6.403 1.00 0.00 H new ATOM 0 HA ASP A 156 -15.868 -0.139 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -15.942 1.375 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -15.162 2.645 6.214 1.00 0.00 H new ATOM 93 N ILE A 157 -13.993 1.810 3.457 1.00 0.00 N ATOM 94 CA ILE A 157 -13.740 2.391 2.155 1.00 0.00 C ATOM 95 C ILE A 157 -12.925 1.377 1.290 1.00 0.00 C ATOM 96 O ILE A 157 -12.343 1.718 0.251 1.00 0.00 O ATOM 97 CB ILE A 157 -13.005 3.784 2.312 1.00 0.00 C ATOM 98 CG1 ILE A 157 -13.793 4.703 3.279 1.00 0.00 C ATOM 99 CG2 ILE A 157 -12.830 4.508 0.968 1.00 0.00 C ATOM 100 CD1 ILE A 157 -15.212 5.040 2.829 1.00 0.00 C ATOM 0 H ILE A 157 -13.198 1.860 4.094 1.00 0.00 H new ATOM 0 HA ILE A 157 -14.680 2.588 1.640 1.00 0.00 H new ATOM 0 HB ILE A 157 -12.015 3.572 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -13.841 4.222 4.256 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -13.238 5.632 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -12.321 5.458 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -12.237 3.888 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -13.808 4.692 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -15.684 5.687 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -15.177 5.553 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -15.790 4.121 2.729 1.00 0.00 H new ATOM 112 N ASP A 158 -12.923 0.104 1.715 1.00 0.00 N ATOM 113 CA ASP A 158 -12.278 -0.961 0.934 1.00 0.00 C ATOM 114 C ASP A 158 -13.223 -1.342 -0.186 1.00 0.00 C ATOM 115 O ASP A 158 -14.032 -2.258 -0.068 1.00 0.00 O ATOM 116 CB ASP A 158 -11.920 -2.191 1.804 1.00 0.00 C ATOM 117 CG ASP A 158 -11.211 -3.312 1.036 1.00 0.00 C ATOM 118 OD1 ASP A 158 -10.019 -3.156 0.697 1.00 0.00 O ATOM 119 OD2 ASP A 158 -11.807 -4.398 0.826 1.00 0.00 O ATOM 0 H ASP A 158 -13.355 -0.210 2.584 1.00 0.00 H new ATOM 0 HA ASP A 158 -11.333 -0.596 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -11.282 -1.868 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -12.833 -2.589 2.246 1.00 0.00 H new ATOM 124 N LEU A 159 -13.186 -0.553 -1.220 1.00 0.00 N ATOM 125 CA LEU A 159 -14.099 -0.667 -2.328 1.00 0.00 C ATOM 126 C LEU A 159 -13.459 -1.476 -3.439 1.00 0.00 C ATOM 127 O LEU A 159 -14.140 -2.166 -4.192 1.00 0.00 O ATOM 128 CB LEU A 159 -14.508 0.775 -2.779 1.00 0.00 C ATOM 129 CG LEU A 159 -15.591 0.960 -3.881 1.00 0.00 C ATOM 130 CD1 LEU A 159 -15.068 0.651 -5.275 1.00 0.00 C ATOM 131 CD2 LEU A 159 -16.828 0.122 -3.575 1.00 0.00 C ATOM 0 H LEU A 159 -12.509 0.203 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 159 -15.006 -1.200 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -14.851 1.308 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -13.604 1.277 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 159 -15.868 2.014 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -15.866 0.797 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -14.238 1.317 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -14.725 -0.383 -5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -17.570 0.269 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -16.552 -0.931 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -17.248 0.429 -2.617 1.00 0.00 H new ATOM 143 N PHE A 160 -12.140 -1.460 -3.485 1.00 0.00 N ATOM 144 CA PHE A 160 -11.378 -2.141 -4.534 1.00 0.00 C ATOM 145 C PHE A 160 -11.315 -3.665 -4.254 1.00 0.00 C ATOM 146 O PHE A 160 -10.627 -4.430 -4.935 1.00 0.00 O ATOM 147 CB PHE A 160 -9.972 -1.497 -4.638 1.00 0.00 C ATOM 148 CG PHE A 160 -9.116 -1.949 -5.798 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.392 -1.517 -7.087 1.00 0.00 C ATOM 150 CD2 PHE A 160 -8.033 -2.797 -5.598 1.00 0.00 C ATOM 151 CE1 PHE A 160 -8.611 -1.922 -8.152 1.00 0.00 C ATOM 152 CE2 PHE A 160 -7.248 -3.202 -6.661 1.00 0.00 C ATOM 153 CZ PHE A 160 -7.538 -2.765 -7.940 1.00 0.00 C ATOM 0 H PHE A 160 -11.560 -0.977 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.874 -2.022 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -10.094 -0.416 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -9.432 -1.702 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -10.228 -0.856 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -7.802 -3.143 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -8.840 -1.579 -9.150 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -6.408 -3.860 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 160 -6.927 -3.082 -8.772 1.00 0.00 H new ATOM 163 N GLY A 161 -12.040 -4.093 -3.261 1.00 0.00 N ATOM 164 CA GLY A 161 -12.139 -5.473 -2.954 1.00 0.00 C ATOM 165 C GLY A 161 -13.573 -5.903 -2.989 1.00 0.00 C ATOM 166 O GLY A 161 -14.367 -5.430 -2.183 1.00 0.00 O ATOM 0 H GLY A 161 -12.578 -3.484 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -11.558 -6.056 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -11.717 -5.666 -1.968 1.00 0.00 H new ATOM 170 N SER A 162 -13.935 -6.730 -3.960 1.00 0.00 N ATOM 171 CA SER A 162 -15.277 -7.285 -4.030 1.00 0.00 C ATOM 172 C SER A 162 -15.495 -8.129 -2.779 1.00 0.00 C ATOM 173 O SER A 162 -16.487 -7.996 -2.067 1.00 0.00 O ATOM 174 CB SER A 162 -15.411 -8.136 -5.292 1.00 0.00 C ATOM 175 OG SER A 162 -15.021 -7.387 -6.439 1.00 0.00 O ATOM 0 H SER A 162 -13.315 -7.031 -4.712 1.00 0.00 H new ATOM 0 HA SER A 162 -16.027 -6.495 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 162 -14.791 -9.028 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 162 -16.441 -8.473 -5.403 1.00 0.00 H new ATOM 0 HG SER A 162 -15.110 -7.945 -7.240 1.00 0.00 H new ATOM 181 N ASP A 163 -14.521 -8.956 -2.523 1.00 0.00 N ATOM 182 CA ASP A 163 -14.417 -9.734 -1.330 1.00 0.00 C ATOM 183 C ASP A 163 -12.956 -9.984 -1.151 1.00 0.00 C ATOM 184 O ASP A 163 -12.231 -10.126 -2.148 1.00 0.00 O ATOM 185 CB ASP A 163 -15.179 -11.058 -1.412 1.00 0.00 C ATOM 186 CG ASP A 163 -15.084 -11.832 -0.125 1.00 0.00 C ATOM 187 OD1 ASP A 163 -15.836 -11.521 0.827 1.00 0.00 O ATOM 188 OD2 ASP A 163 -14.235 -12.727 -0.029 1.00 0.00 O ATOM 0 H ASP A 163 -13.747 -9.110 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 163 -14.862 -9.201 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -16.226 -10.862 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -14.779 -11.659 -2.229 1.00 0.00 H new ATOM 193 N ASN A 164 -12.508 -10.034 0.056 1.00 0.00 N ATOM 194 CA ASN A 164 -11.093 -10.124 0.320 1.00 0.00 C ATOM 195 C ASN A 164 -10.573 -11.514 0.129 1.00 0.00 C ATOM 196 O ASN A 164 -9.422 -11.708 -0.222 1.00 0.00 O ATOM 197 CB ASN A 164 -10.737 -9.566 1.694 1.00 0.00 C ATOM 198 CG ASN A 164 -9.245 -9.599 1.955 1.00 0.00 C ATOM 199 OD1 ASN A 164 -8.720 -10.526 2.583 1.00 0.00 O ATOM 200 ND2 ASN A 164 -8.548 -8.647 1.399 1.00 0.00 N ATOM 0 H ASN A 164 -13.097 -10.015 0.889 1.00 0.00 H new ATOM 0 HA ASN A 164 -10.592 -9.498 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -11.095 -8.539 1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -11.252 -10.142 2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -7.531 -8.649 1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -9.020 -7.900 0.889 1.00 0.00 H new ATOM 207 N GLU A 165 -11.425 -12.471 0.306 1.00 0.00 N ATOM 208 CA GLU A 165 -11.068 -13.818 0.137 1.00 0.00 C ATOM 209 C GLU A 165 -11.149 -14.175 -1.352 1.00 0.00 C ATOM 210 O GLU A 165 -10.413 -15.042 -1.849 1.00 0.00 O ATOM 211 CB GLU A 165 -12.016 -14.666 0.946 1.00 0.00 C ATOM 212 CG GLU A 165 -11.686 -16.109 0.942 1.00 0.00 C ATOM 213 CD GLU A 165 -12.648 -16.914 1.748 1.00 0.00 C ATOM 214 OE1 GLU A 165 -13.797 -17.075 1.320 1.00 0.00 O ATOM 215 OE2 GLU A 165 -12.277 -17.412 2.818 1.00 0.00 O ATOM 0 H GLU A 165 -12.398 -12.324 0.575 1.00 0.00 H new ATOM 0 HA GLU A 165 -10.049 -13.997 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -12.020 -14.307 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -13.026 -14.534 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -11.681 -16.475 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -10.679 -16.250 1.336 1.00 0.00 H new ATOM 222 N GLU A 166 -12.023 -13.493 -2.068 1.00 0.00 N ATOM 223 CA GLU A 166 -12.182 -13.752 -3.478 1.00 0.00 C ATOM 224 C GLU A 166 -11.028 -13.098 -4.265 1.00 0.00 C ATOM 225 O GLU A 166 -10.412 -13.730 -5.118 1.00 0.00 O ATOM 226 CB GLU A 166 -13.626 -13.366 -3.952 1.00 0.00 C ATOM 227 CG GLU A 166 -13.896 -11.959 -4.467 1.00 0.00 C ATOM 228 CD GLU A 166 -13.581 -11.762 -5.928 1.00 0.00 C ATOM 229 OE1 GLU A 166 -14.375 -12.222 -6.789 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.576 -11.154 -6.252 1.00 0.00 O ATOM 0 H GLU A 166 -12.628 -12.761 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 166 -12.104 -14.819 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.907 -14.062 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -14.302 -13.543 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.945 -11.718 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -13.308 -11.252 -3.882 1.00 0.00 H new ATOM 237 N GLU A 167 -10.698 -11.852 -3.926 1.00 0.00 N ATOM 238 CA GLU A 167 -9.583 -11.151 -4.559 1.00 0.00 C ATOM 239 C GLU A 167 -8.246 -11.506 -3.858 1.00 0.00 C ATOM 240 O GLU A 167 -7.181 -10.930 -4.164 1.00 0.00 O ATOM 241 CB GLU A 167 -9.798 -9.648 -4.525 1.00 0.00 C ATOM 242 CG GLU A 167 -9.019 -8.923 -5.620 1.00 0.00 C ATOM 243 CD GLU A 167 -9.655 -9.044 -7.004 1.00 0.00 C ATOM 244 OE1 GLU A 167 -10.589 -8.285 -7.303 1.00 0.00 O ATOM 245 OE2 GLU A 167 -9.212 -9.878 -7.825 1.00 0.00 O ATOM 0 H GLU A 167 -11.188 -11.308 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.534 -11.473 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.861 -9.433 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.495 -9.262 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.936 -7.868 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.005 -9.322 -5.659 1.00 0.00 H new ATOM 252 N ASP A 168 -8.305 -12.466 -2.921 1.00 0.00 N ATOM 253 CA ASP A 168 -7.117 -12.946 -2.144 1.00 0.00 C ATOM 254 C ASP A 168 -5.984 -13.352 -3.061 1.00 0.00 C ATOM 255 O ASP A 168 -4.812 -13.253 -2.692 1.00 0.00 O ATOM 256 CB ASP A 168 -7.484 -14.110 -1.214 1.00 0.00 C ATOM 257 CG ASP A 168 -6.315 -14.632 -0.397 1.00 0.00 C ATOM 258 OD1 ASP A 168 -5.930 -13.989 0.607 1.00 0.00 O ATOM 259 OD2 ASP A 168 -5.806 -15.728 -0.699 1.00 0.00 O ATOM 0 H ASP A 168 -9.172 -12.941 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 168 -6.782 -12.110 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.274 -13.786 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -7.891 -14.926 -1.811 1.00 0.00 H new ATOM 264 N LYS A 169 -6.359 -13.766 -4.272 1.00 0.00 N ATOM 265 CA LYS A 169 -5.434 -14.055 -5.355 1.00 0.00 C ATOM 266 C LYS A 169 -4.339 -12.977 -5.454 1.00 0.00 C ATOM 267 O LYS A 169 -3.170 -13.280 -5.361 1.00 0.00 O ATOM 268 CB LYS A 169 -6.195 -14.145 -6.697 1.00 0.00 C ATOM 269 CG LYS A 169 -7.236 -13.027 -6.882 1.00 0.00 C ATOM 270 CD LYS A 169 -7.604 -12.742 -8.313 1.00 0.00 C ATOM 271 CE LYS A 169 -6.405 -12.303 -9.138 1.00 0.00 C ATOM 272 NZ LYS A 169 -6.796 -11.922 -10.501 1.00 0.00 N ATOM 0 H LYS A 169 -7.336 -13.911 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.958 -15.012 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.478 -14.104 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.695 -15.112 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.140 -13.296 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.851 -12.112 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.042 -13.635 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -8.367 -11.964 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.916 -11.460 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -5.676 -13.112 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.428 -12.622 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.833 -11.888 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -6.404 -10.985 -10.726 1.00 0.00 H new ATOM 286 N GLU A 170 -4.728 -11.712 -5.549 1.00 0.00 N ATOM 287 CA GLU A 170 -3.770 -10.663 -5.694 1.00 0.00 C ATOM 288 C GLU A 170 -3.270 -10.141 -4.409 1.00 0.00 C ATOM 289 O GLU A 170 -2.201 -9.591 -4.369 1.00 0.00 O ATOM 290 CB GLU A 170 -4.173 -9.586 -6.670 1.00 0.00 C ATOM 291 CG GLU A 170 -3.595 -9.849 -8.040 1.00 0.00 C ATOM 292 CD GLU A 170 -4.202 -9.025 -9.127 1.00 0.00 C ATOM 293 OE1 GLU A 170 -5.180 -9.466 -9.733 1.00 0.00 O ATOM 294 OE2 GLU A 170 -3.695 -7.926 -9.417 1.00 0.00 O ATOM 0 H GLU A 170 -5.700 -11.404 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.910 -11.142 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.260 -9.537 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.831 -8.616 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.522 -9.660 -8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.727 -10.904 -8.282 1.00 0.00 H new ATOM 301 N ALA A 171 -4.009 -10.351 -3.346 1.00 0.00 N ATOM 302 CA ALA A 171 -3.507 -10.003 -2.039 1.00 0.00 C ATOM 303 C ALA A 171 -2.210 -10.795 -1.807 1.00 0.00 C ATOM 304 O ALA A 171 -1.230 -10.275 -1.286 1.00 0.00 O ATOM 305 CB ALA A 171 -4.541 -10.316 -0.976 1.00 0.00 C ATOM 0 H ALA A 171 -4.946 -10.755 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.300 -8.934 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.147 -10.048 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.448 -9.744 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -4.772 -11.381 -0.995 1.00 0.00 H new ATOM 311 N ALA A 172 -2.223 -12.035 -2.278 1.00 0.00 N ATOM 312 CA ALA A 172 -1.091 -12.914 -2.247 1.00 0.00 C ATOM 313 C ALA A 172 -0.106 -12.570 -3.367 1.00 0.00 C ATOM 314 O ALA A 172 1.034 -12.291 -3.083 1.00 0.00 O ATOM 315 CB ALA A 172 -1.543 -14.359 -2.356 1.00 0.00 C ATOM 0 H ALA A 172 -3.050 -12.456 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.578 -12.782 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.673 -15.015 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.202 -14.598 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.079 -14.503 -3.294 1.00 0.00 H new ATOM 321 N GLN A 173 -0.570 -12.564 -4.645 1.00 0.00 N ATOM 322 CA GLN A 173 0.293 -12.282 -5.816 1.00 0.00 C ATOM 323 C GLN A 173 1.084 -11.002 -5.673 1.00 0.00 C ATOM 324 O GLN A 173 2.313 -10.992 -5.850 1.00 0.00 O ATOM 325 CB GLN A 173 -0.511 -12.167 -7.097 1.00 0.00 C ATOM 326 CG GLN A 173 -1.145 -13.440 -7.608 1.00 0.00 C ATOM 327 CD GLN A 173 -1.881 -13.232 -8.919 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.874 -13.905 -9.201 1.00 0.00 O ATOM 329 NE2 GLN A 173 -1.395 -12.326 -9.739 1.00 0.00 N ATOM 0 H GLN A 173 -1.543 -12.753 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 173 0.976 -13.131 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -1.300 -11.431 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.142 -11.774 -7.876 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -0.374 -14.198 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.840 -13.822 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.571 -11.787 -9.473 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -1.842 -12.162 -10.641 1.00 0.00 H new ATOM 338 N LEU A 174 0.385 -9.919 -5.378 1.00 0.00 N ATOM 339 CA LEU A 174 1.015 -8.625 -5.223 1.00 0.00 C ATOM 340 C LEU A 174 2.014 -8.679 -4.112 1.00 0.00 C ATOM 341 O LEU A 174 3.151 -8.280 -4.288 1.00 0.00 O ATOM 342 CB LEU A 174 -0.025 -7.558 -4.955 1.00 0.00 C ATOM 343 CG LEU A 174 -1.095 -7.420 -6.033 1.00 0.00 C ATOM 344 CD1 LEU A 174 -2.130 -6.377 -5.643 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.475 -7.079 -7.367 1.00 0.00 C ATOM 0 H LEU A 174 -0.626 -9.914 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 174 1.532 -8.369 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.513 -7.777 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.480 -6.599 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.600 -8.381 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.881 -6.298 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.610 -6.672 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.642 -5.412 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -1.258 -6.986 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.065 -6.136 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.217 -7.869 -7.659 1.00 0.00 H new ATOM 357 N ARG A 175 1.588 -9.208 -2.996 1.00 0.00 N ATOM 358 CA ARG A 175 2.463 -9.400 -1.851 1.00 0.00 C ATOM 359 C ARG A 175 3.732 -10.208 -2.214 1.00 0.00 C ATOM 360 O ARG A 175 4.842 -9.669 -2.192 1.00 0.00 O ATOM 361 CB ARG A 175 1.677 -10.116 -0.755 1.00 0.00 C ATOM 362 CG ARG A 175 2.481 -10.649 0.416 1.00 0.00 C ATOM 363 CD ARG A 175 1.568 -11.422 1.325 1.00 0.00 C ATOM 364 NE ARG A 175 2.238 -12.014 2.478 1.00 0.00 N ATOM 365 CZ ARG A 175 1.587 -12.520 3.531 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.254 -12.435 3.589 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.262 -13.091 4.532 1.00 0.00 N ATOM 0 H ARG A 175 0.628 -9.520 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 175 2.800 -8.423 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.926 -9.427 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.141 -10.950 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.287 -11.290 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.945 -9.826 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.778 -10.759 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.087 -12.214 0.751 1.00 0.00 H new ATOM 0 HE ARG A 175 3.258 -12.044 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.262 -11.986 2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.247 -12.819 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.280 -13.143 4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 175 1.759 -13.475 5.332 1.00 0.00 H new ATOM 381 N GLU A 176 3.541 -11.441 -2.646 1.00 0.00 N ATOM 382 CA GLU A 176 4.637 -12.369 -2.852 1.00 0.00 C ATOM 383 C GLU A 176 5.588 -11.971 -3.975 1.00 0.00 C ATOM 384 O GLU A 176 6.795 -11.900 -3.762 1.00 0.00 O ATOM 385 CB GLU A 176 4.133 -13.808 -3.033 1.00 0.00 C ATOM 386 CG GLU A 176 3.284 -14.047 -4.269 1.00 0.00 C ATOM 387 CD GLU A 176 2.901 -15.481 -4.432 1.00 0.00 C ATOM 388 OE1 GLU A 176 3.690 -16.256 -5.022 1.00 0.00 O ATOM 389 OE2 GLU A 176 1.805 -15.873 -4.018 1.00 0.00 O ATOM 0 H GLU A 176 2.622 -11.827 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 176 5.228 -12.322 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 176 4.994 -14.475 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.552 -14.085 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.382 -13.438 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.833 -13.718 -5.152 1.00 0.00 H new ATOM 396 N GLU A 177 5.062 -11.663 -5.151 1.00 0.00 N ATOM 397 CA GLU A 177 5.925 -11.374 -6.286 1.00 0.00 C ATOM 398 C GLU A 177 6.715 -10.108 -6.076 1.00 0.00 C ATOM 399 O GLU A 177 7.863 -10.018 -6.488 1.00 0.00 O ATOM 400 CB GLU A 177 5.178 -11.323 -7.623 1.00 0.00 C ATOM 401 CG GLU A 177 4.515 -12.627 -8.020 1.00 0.00 C ATOM 402 CD GLU A 177 4.114 -12.658 -9.481 1.00 0.00 C ATOM 403 OE1 GLU A 177 3.013 -12.181 -9.829 1.00 0.00 O ATOM 404 OE2 GLU A 177 4.882 -13.202 -10.304 1.00 0.00 O ATOM 0 H GLU A 177 4.062 -11.607 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 177 6.618 -12.214 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.417 -10.544 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.879 -11.033 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.197 -13.453 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.631 -12.784 -7.401 1.00 0.00 H new ATOM 411 N ARG A 178 6.131 -9.145 -5.407 1.00 0.00 N ATOM 412 CA ARG A 178 6.816 -7.896 -5.194 1.00 0.00 C ATOM 413 C ARG A 178 7.889 -8.032 -4.125 1.00 0.00 C ATOM 414 O ARG A 178 9.007 -7.586 -4.328 1.00 0.00 O ATOM 415 CB ARG A 178 5.838 -6.759 -4.915 1.00 0.00 C ATOM 416 CG ARG A 178 4.893 -6.527 -6.091 1.00 0.00 C ATOM 417 CD ARG A 178 3.805 -5.515 -5.780 1.00 0.00 C ATOM 418 NE ARG A 178 4.325 -4.174 -5.568 1.00 0.00 N ATOM 419 CZ ARG A 178 4.040 -3.114 -6.342 1.00 0.00 C ATOM 420 NH1 ARG A 178 3.326 -3.268 -7.466 1.00 0.00 N ATOM 421 NH2 ARG A 178 4.486 -1.912 -6.001 1.00 0.00 N ATOM 0 H ARG A 178 5.195 -9.200 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 178 7.331 -7.632 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.258 -6.989 -4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.393 -5.844 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.468 -6.183 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.432 -7.474 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.088 -5.496 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.262 -5.834 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 178 4.950 -4.028 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.996 -4.194 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 178 3.113 -2.459 -8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 178 5.043 -1.796 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 178 4.272 -1.104 -6.586 1.00 0.00 H new ATOM 435 N LEU A 179 7.593 -8.721 -3.022 1.00 0.00 N ATOM 436 CA LEU A 179 8.606 -8.884 -1.975 1.00 0.00 C ATOM 437 C LEU A 179 9.745 -9.817 -2.404 1.00 0.00 C ATOM 438 O LEU A 179 10.854 -9.739 -1.876 1.00 0.00 O ATOM 439 CB LEU A 179 8.007 -9.234 -0.571 1.00 0.00 C ATOM 440 CG LEU A 179 7.070 -10.460 -0.429 1.00 0.00 C ATOM 441 CD1 LEU A 179 7.789 -11.776 -0.640 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.383 -10.447 0.924 1.00 0.00 C ATOM 0 H LEU A 179 6.693 -9.162 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 179 9.057 -7.901 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.842 -9.379 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.457 -8.360 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 179 6.322 -10.377 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.083 -12.599 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.218 -11.800 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 179 8.585 -11.878 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.728 -11.314 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.134 -10.481 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.793 -9.536 1.024 1.00 0.00 H new ATOM 454 N ARG A 180 9.489 -10.692 -3.366 1.00 0.00 N ATOM 455 CA ARG A 180 10.560 -11.531 -3.884 1.00 0.00 C ATOM 456 C ARG A 180 11.414 -10.761 -4.874 1.00 0.00 C ATOM 457 O ARG A 180 12.635 -10.879 -4.856 1.00 0.00 O ATOM 458 CB ARG A 180 10.063 -12.841 -4.475 1.00 0.00 C ATOM 459 CG ARG A 180 9.415 -13.752 -3.451 1.00 0.00 C ATOM 460 CD ARG A 180 9.055 -15.096 -4.042 1.00 0.00 C ATOM 461 NE ARG A 180 8.188 -14.965 -5.211 1.00 0.00 N ATOM 462 CZ ARG A 180 6.924 -15.385 -5.290 1.00 0.00 C ATOM 463 NH1 ARG A 180 6.346 -16.002 -4.268 1.00 0.00 N ATOM 464 NH2 ARG A 180 6.245 -15.205 -6.403 1.00 0.00 N ATOM 0 H ARG A 180 8.575 -10.838 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 180 11.181 -11.807 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.345 -12.626 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.900 -13.364 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.094 -13.895 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.517 -13.276 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 180 9.966 -15.624 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.556 -15.702 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 180 8.583 -14.514 -6.037 1.00 0.00 H new ATOM 0 HH11 ARG A 180 6.869 -16.161 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.379 -16.317 -4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.685 -14.746 -7.200 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.278 -15.524 -6.468 1.00 0.00 H new ATOM 478 N GLN A 181 10.776 -9.933 -5.703 1.00 0.00 N ATOM 479 CA GLN A 181 11.518 -9.078 -6.635 1.00 0.00 C ATOM 480 C GLN A 181 12.345 -8.059 -5.868 1.00 0.00 C ATOM 481 O GLN A 181 13.472 -7.745 -6.250 1.00 0.00 O ATOM 482 CB GLN A 181 10.590 -8.398 -7.646 1.00 0.00 C ATOM 483 CG GLN A 181 10.008 -9.354 -8.677 1.00 0.00 C ATOM 484 CD GLN A 181 8.957 -8.707 -9.557 1.00 0.00 C ATOM 485 OE1 GLN A 181 9.261 -8.135 -10.609 1.00 0.00 O ATOM 486 NE2 GLN A 181 7.719 -8.808 -9.147 1.00 0.00 N ATOM 0 H GLN A 181 9.762 -9.835 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 181 12.195 -9.712 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.774 -7.915 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.142 -7.612 -8.162 1.00 0.00 H new ATOM 0 HG2 GLN A 181 10.813 -9.738 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.568 -10.209 -8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 181 7.509 -9.288 -8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 181 6.964 -8.406 -9.702 1.00 0.00 H new ATOM 495 N TYR A 182 11.795 -7.585 -4.767 1.00 0.00 N ATOM 496 CA TYR A 182 12.469 -6.691 -3.874 1.00 0.00 C ATOM 497 C TYR A 182 13.666 -7.372 -3.227 1.00 0.00 C ATOM 498 O TYR A 182 14.731 -6.768 -3.081 1.00 0.00 O ATOM 499 CB TYR A 182 11.492 -6.215 -2.822 1.00 0.00 C ATOM 500 CG TYR A 182 10.965 -4.824 -3.044 1.00 0.00 C ATOM 501 CD1 TYR A 182 11.768 -3.711 -2.828 1.00 0.00 C ATOM 502 CD2 TYR A 182 9.664 -4.619 -3.458 1.00 0.00 C ATOM 503 CE1 TYR A 182 11.283 -2.434 -3.022 1.00 0.00 C ATOM 504 CE2 TYR A 182 9.172 -3.354 -3.655 1.00 0.00 C ATOM 505 CZ TYR A 182 9.980 -2.262 -3.437 1.00 0.00 C ATOM 506 OH TYR A 182 9.476 -0.985 -3.632 1.00 0.00 O ATOM 0 H TYR A 182 10.848 -7.821 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 182 12.842 -5.835 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.651 -6.907 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.979 -6.254 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 182 12.789 -3.848 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 182 9.022 -5.470 -3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 182 11.918 -1.578 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 182 8.152 -3.215 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 182 8.543 -1.043 -3.925 1.00 0.00 H new ATOM 516 N ALA A 183 13.489 -8.633 -2.863 1.00 0.00 N ATOM 517 CA ALA A 183 14.557 -9.426 -2.282 1.00 0.00 C ATOM 518 C ALA A 183 15.684 -9.587 -3.281 1.00 0.00 C ATOM 519 O ALA A 183 16.823 -9.293 -2.977 1.00 0.00 O ATOM 520 CB ALA A 183 14.038 -10.780 -1.841 1.00 0.00 C ATOM 0 H ALA A 183 12.605 -9.132 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 183 14.939 -8.908 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 183 14.854 -11.359 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.254 -10.644 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.632 -11.312 -2.701 1.00 0.00 H new ATOM 526 N GLU A 184 15.335 -10.001 -4.498 1.00 0.00 N ATOM 527 CA GLU A 184 16.303 -10.172 -5.592 1.00 0.00 C ATOM 528 C GLU A 184 17.011 -8.868 -5.917 1.00 0.00 C ATOM 529 O GLU A 184 18.195 -8.860 -6.272 1.00 0.00 O ATOM 530 CB GLU A 184 15.599 -10.668 -6.834 1.00 0.00 C ATOM 531 CG GLU A 184 15.059 -12.063 -6.716 1.00 0.00 C ATOM 532 CD GLU A 184 14.182 -12.427 -7.875 1.00 0.00 C ATOM 533 OE1 GLU A 184 14.641 -12.350 -9.042 1.00 0.00 O ATOM 534 OE2 GLU A 184 13.011 -12.760 -7.650 1.00 0.00 O ATOM 0 H GLU A 184 14.375 -10.228 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 184 17.044 -10.900 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.778 -9.991 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.294 -10.629 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.888 -12.768 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.492 -12.155 -5.790 1.00 0.00 H new ATOM 541 N LYS A 185 16.284 -7.776 -5.783 1.00 0.00 N ATOM 542 CA LYS A 185 16.798 -6.454 -6.060 1.00 0.00 C ATOM 543 C LYS A 185 17.955 -6.175 -5.102 1.00 0.00 C ATOM 544 O LYS A 185 19.009 -5.750 -5.519 1.00 0.00 O ATOM 545 CB LYS A 185 15.656 -5.414 -5.900 1.00 0.00 C ATOM 546 CG LYS A 185 15.849 -4.055 -6.601 1.00 0.00 C ATOM 547 CD LYS A 185 16.999 -3.234 -6.040 1.00 0.00 C ATOM 548 CE LYS A 185 17.089 -1.880 -6.719 1.00 0.00 C ATOM 549 NZ LYS A 185 15.881 -1.071 -6.488 1.00 0.00 N ATOM 0 H LYS A 185 15.311 -7.784 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 185 17.168 -6.385 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.735 -5.861 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 185 15.512 -5.229 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 185 16.021 -4.226 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.928 -3.479 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 185 16.862 -3.097 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 185 17.936 -3.775 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 185 17.962 -1.344 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 185 17.234 -2.020 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 16.097 -0.068 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 15.128 -1.379 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 15.564 -1.194 -5.505 1.00 0.00 H new ATOM 563 N LYS A 186 17.766 -6.482 -3.838 1.00 0.00 N ATOM 564 CA LYS A 186 18.807 -6.250 -2.842 1.00 0.00 C ATOM 565 C LYS A 186 19.850 -7.357 -2.849 1.00 0.00 C ATOM 566 O LYS A 186 21.013 -7.135 -2.495 1.00 0.00 O ATOM 567 CB LYS A 186 18.240 -6.091 -1.424 1.00 0.00 C ATOM 568 CG LYS A 186 17.641 -4.726 -1.089 1.00 0.00 C ATOM 569 CD LYS A 186 16.495 -4.340 -1.988 1.00 0.00 C ATOM 570 CE LYS A 186 15.868 -3.030 -1.553 1.00 0.00 C ATOM 571 NZ LYS A 186 15.347 -3.076 -0.165 1.00 0.00 N ATOM 0 H LYS A 186 16.908 -6.891 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 186 19.283 -5.311 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 186 17.471 -6.849 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 186 19.037 -6.301 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 186 17.296 -4.732 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 186 18.421 -3.968 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 186 16.850 -4.252 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 186 15.741 -5.127 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 186 16.608 -2.234 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 186 15.055 -2.778 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 14.702 -2.275 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 14.834 -3.968 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 16.140 -3.017 0.506 1.00 0.00 H new ATOM 585 N ALA A 187 19.430 -8.545 -3.226 1.00 0.00 N ATOM 586 CA ALA A 187 20.306 -9.699 -3.269 1.00 0.00 C ATOM 587 C ALA A 187 21.350 -9.567 -4.359 1.00 0.00 C ATOM 588 O ALA A 187 22.470 -10.059 -4.216 1.00 0.00 O ATOM 589 CB ALA A 187 19.507 -10.982 -3.458 1.00 0.00 C ATOM 0 H ALA A 187 18.471 -8.740 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 187 20.824 -9.747 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 187 20.187 -11.833 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 187 18.810 -11.102 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 187 18.951 -10.930 -4.394 1.00 0.00 H new ATOM 595 N LYS A 188 20.994 -8.916 -5.438 1.00 0.00 N ATOM 596 CA LYS A 188 21.916 -8.749 -6.530 1.00 0.00 C ATOM 597 C LYS A 188 22.456 -7.317 -6.624 1.00 0.00 C ATOM 598 O LYS A 188 23.628 -7.108 -6.927 1.00 0.00 O ATOM 599 CB LYS A 188 21.272 -9.190 -7.852 1.00 0.00 C ATOM 600 CG LYS A 188 22.180 -9.036 -9.054 1.00 0.00 C ATOM 601 CD LYS A 188 21.574 -9.629 -10.307 1.00 0.00 C ATOM 602 CE LYS A 188 22.501 -9.438 -11.498 1.00 0.00 C ATOM 603 NZ LYS A 188 23.835 -10.050 -11.285 1.00 0.00 N ATOM 0 H LYS A 188 20.076 -8.495 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 188 22.774 -9.392 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.970 -10.234 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 188 20.365 -8.608 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 188 22.387 -7.978 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 188 23.135 -9.520 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 188 21.383 -10.691 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 188 20.612 -9.157 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 188 22.042 -9.875 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 188 22.621 -8.372 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 24.341 -10.104 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 24.381 -9.468 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 23.720 -11.007 -10.895 1.00 0.00 H new ATOM 617 N LYS A 189 21.633 -6.342 -6.336 1.00 0.00 N ATOM 618 CA LYS A 189 22.041 -4.963 -6.490 1.00 0.00 C ATOM 619 C LYS A 189 22.182 -4.300 -5.126 1.00 0.00 C ATOM 620 O LYS A 189 21.403 -4.583 -4.215 1.00 0.00 O ATOM 621 CB LYS A 189 21.019 -4.212 -7.347 1.00 0.00 C ATOM 622 CG LYS A 189 20.780 -4.869 -8.690 1.00 0.00 C ATOM 623 CD LYS A 189 19.714 -4.154 -9.494 1.00 0.00 C ATOM 624 CE LYS A 189 19.535 -4.799 -10.859 1.00 0.00 C ATOM 625 NZ LYS A 189 18.428 -4.185 -11.612 1.00 0.00 N ATOM 0 H LYS A 189 20.681 -6.472 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 189 23.009 -4.932 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.075 -4.149 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 189 21.365 -3.190 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 189 21.711 -4.884 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.483 -5.907 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 189 18.769 -4.175 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 189 19.988 -3.106 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.459 -4.705 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 189 19.344 -5.865 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 18.337 -4.651 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 17.542 -4.297 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 18.623 -3.173 -11.752 1.00 0.00 H new ATOM 639 N PRO A 190 23.167 -3.403 -4.948 1.00 0.00 N ATOM 640 CA PRO A 190 23.381 -2.706 -3.684 1.00 0.00 C ATOM 641 C PRO A 190 22.521 -1.437 -3.581 1.00 0.00 C ATOM 642 O PRO A 190 22.720 -0.596 -2.706 1.00 0.00 O ATOM 643 CB PRO A 190 24.873 -2.340 -3.721 1.00 0.00 C ATOM 644 CG PRO A 190 25.372 -2.730 -5.083 1.00 0.00 C ATOM 645 CD PRO A 190 24.169 -2.995 -5.933 1.00 0.00 C ATOM 0 HA PRO A 190 23.105 -3.318 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 190 25.016 -1.274 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 190 25.422 -2.867 -2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 190 25.980 -1.934 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 190 26.004 -3.616 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 190 23.858 -2.107 -6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 190 24.357 -3.777 -6.669 1.00 0.00 H new ATOM 653 N ALA A 191 21.567 -1.325 -4.470 1.00 0.00 N ATOM 654 CA ALA A 191 20.676 -0.193 -4.512 1.00 0.00 C ATOM 655 C ALA A 191 19.444 -0.468 -3.656 1.00 0.00 C ATOM 656 O ALA A 191 19.225 -1.611 -3.216 1.00 0.00 O ATOM 657 CB ALA A 191 20.285 0.095 -5.945 1.00 0.00 C ATOM 0 H ALA A 191 21.385 -2.023 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 191 21.183 0.684 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 191 19.611 0.951 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 191 21.179 0.317 -6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 191 19.783 -0.776 -6.367 1.00 0.00 H new ATOM 663 N LEU A 192 18.659 0.552 -3.423 1.00 0.00 N ATOM 664 CA LEU A 192 17.484 0.446 -2.597 1.00 0.00 C ATOM 665 C LEU A 192 16.253 0.303 -3.473 1.00 0.00 C ATOM 666 O LEU A 192 15.632 1.324 -3.819 1.00 0.00 O ATOM 667 CB LEU A 192 17.355 1.685 -1.699 1.00 0.00 C ATOM 668 CG LEU A 192 18.527 1.971 -0.751 1.00 0.00 C ATOM 669 CD1 LEU A 192 18.269 3.243 0.043 1.00 0.00 C ATOM 670 CD2 LEU A 192 18.769 0.796 0.191 1.00 0.00 C ATOM 671 OXT LEU A 192 15.912 -0.818 -3.848 1.00 0.00 O ATOM 0 H LEU A 192 18.818 1.485 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 192 17.573 -0.436 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 192 17.214 2.556 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 192 16.450 1.579 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 192 19.424 2.111 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 192 19.110 3.432 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 192 18.154 4.083 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 192 17.358 3.127 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 192 19.605 1.026 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 192 17.874 0.617 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 192 19.001 -0.096 -0.392 1.00 0.00 H new TER 683 LEU A 192