USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 THR OG1 : rot 180:sc= 0.633 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.29 K(o=1.9,f=0.96) USER MOD Set 2.1: A 172 HIS : no HD1:sc= 0.854 K(o=1.2,f=-3.4!) USER MOD Set 2.2: A 181 CYS SG : rot -152:sc= 0.381 USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 1.05 (180deg=1.04) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.274 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 126 LYS NZ :NH3+ -152:sc= 1.28 (180deg=1.21) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 1.01 K(o=1,f=-0.0042) USER MOD Single : A 134 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.755) USER MOD Single : A 139 MET CE :methyl -129:sc= 0 (180deg=-0.478) USER MOD Single : A 141 MET CE :methyl -134:sc= -0.0407 (180deg=-0.927) USER MOD Single : A 149 HIS : no HD1:sc= 0.54 K(o=0.54,f=-5.4!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.063 USER MOD Single : A 165 LYS NZ :NH3+ -172:sc= 1.08 (180deg=1.02) USER MOD Single : A 167 CYS SG : rot -21:sc= 0.00344 USER MOD Single : A 170 HIS : no HD1:sc= 0.968 K(o=0.97,f=-3.3!) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 LYS NZ :NH3+ 143:sc= 2.02 (180deg=0.875) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.11) USER MOD Single : A 183 LYS NZ :NH3+ -156:sc= 2.45 (180deg=2.02) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.989 8.823 1.543 1.00 0.00 N ATOM 56 CA LYS A 109 -2.329 7.855 0.477 1.00 0.00 C ATOM 57 C LYS A 109 -1.524 6.537 0.533 1.00 0.00 C ATOM 58 O LYS A 109 -1.191 5.966 -0.505 1.00 0.00 O ATOM 59 CB LYS A 109 -2.245 8.514 -0.912 1.00 0.00 C ATOM 60 CG LYS A 109 -3.301 9.601 -1.148 1.00 0.00 C ATOM 61 CD LYS A 109 -3.385 9.869 -2.656 1.00 0.00 C ATOM 62 CE LYS A 109 -4.348 11.015 -2.985 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.392 11.279 -4.449 1.00 0.00 N ATOM 0 HA LYS A 109 -3.362 7.561 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.254 8.950 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.353 7.744 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.269 9.280 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.034 10.513 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.392 10.109 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.712 8.963 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.347 10.767 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.036 11.918 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.101 12.013 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.458 11.604 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.647 10.405 -4.952 1.00 0.00 H new ATOM 77 N LYS A 110 -1.162 6.059 1.726 1.00 0.00 N ATOM 78 CA LYS A 110 -0.248 4.925 1.939 1.00 0.00 C ATOM 79 C LYS A 110 -0.648 4.113 3.171 1.00 0.00 C ATOM 80 O LYS A 110 -0.904 4.682 4.234 1.00 0.00 O ATOM 81 CB LYS A 110 1.193 5.469 2.022 1.00 0.00 C ATOM 82 CG LYS A 110 2.282 4.383 2.003 1.00 0.00 C ATOM 83 CD LYS A 110 3.673 5.037 1.978 1.00 0.00 C ATOM 84 CE LYS A 110 4.786 3.985 1.930 1.00 0.00 C ATOM 85 NZ LYS A 110 6.133 4.609 1.950 1.00 0.00 N ATOM 0 H LYS A 110 -1.505 6.460 2.599 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.309 4.231 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.361 6.150 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.296 6.054 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.186 3.745 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.155 3.744 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.753 5.693 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.799 5.662 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.685 3.310 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.678 3.382 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.860 3.866 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.238 5.234 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.245 5.164 2.822 1.00 0.00 H new ATOM 99 N ILE A 111 -0.675 2.787 3.035 1.00 0.00 N ATOM 100 CA ILE A 111 -0.915 1.846 4.138 1.00 0.00 C ATOM 101 C ILE A 111 0.350 1.065 4.481 1.00 0.00 C ATOM 102 O ILE A 111 1.207 0.795 3.639 1.00 0.00 O ATOM 103 CB ILE A 111 -2.081 0.861 3.858 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.705 -0.219 2.821 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.355 1.636 3.502 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.847 -1.147 2.390 1.00 0.00 C ATOM 0 H ILE A 111 -0.528 2.324 2.138 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.206 2.458 4.992 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.288 0.304 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.308 0.276 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.901 -0.829 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.166 0.934 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.629 2.286 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.177 2.240 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.475 -1.867 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.232 -1.678 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.646 -0.557 1.942 1.00 0.00 H new ATOM 118 N PHE A 112 0.405 0.685 5.748 1.00 0.00 N ATOM 119 CA PHE A 112 1.294 -0.286 6.356 1.00 0.00 C ATOM 120 C PHE A 112 0.555 -1.634 6.352 1.00 0.00 C ATOM 121 O PHE A 112 -0.630 -1.688 6.700 1.00 0.00 O ATOM 122 CB PHE A 112 1.546 0.188 7.790 1.00 0.00 C ATOM 123 CG PHE A 112 2.464 -0.701 8.597 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.973 -1.827 9.287 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.826 -0.382 8.666 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.853 -2.626 10.042 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.701 -1.169 9.418 1.00 0.00 C ATOM 128 CZ PHE A 112 4.220 -2.295 10.110 1.00 0.00 C ATOM 0 H PHE A 112 -0.231 1.087 6.437 1.00 0.00 H new ATOM 0 HA PHE A 112 2.243 -0.390 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.971 1.191 7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.589 0.264 8.307 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.923 -2.077 9.237 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.202 0.479 8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.480 -3.492 10.568 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.749 -0.912 9.468 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.897 -2.904 10.691 1.00 0.00 H new ATOM 138 N VAL A 113 1.242 -2.718 5.990 1.00 0.00 N ATOM 139 CA VAL A 113 0.711 -4.089 5.992 1.00 0.00 C ATOM 140 C VAL A 113 1.616 -5.010 6.801 1.00 0.00 C ATOM 141 O VAL A 113 2.773 -5.202 6.433 1.00 0.00 O ATOM 142 CB VAL A 113 0.478 -4.630 4.568 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.275 -5.964 4.613 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.310 -3.642 3.701 1.00 0.00 C ATOM 0 H VAL A 113 2.212 -2.669 5.678 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.267 -4.061 6.472 1.00 0.00 H new ATOM 0 HB VAL A 113 1.462 -4.774 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.430 -6.329 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.309 -6.693 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.241 -5.821 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.451 -4.064 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.282 -3.453 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.242 -2.706 3.623 1.00 0.00 H new ATOM 154 N GLY A 114 1.101 -5.565 7.902 1.00 0.00 N ATOM 155 CA GLY A 114 1.862 -6.369 8.866 1.00 0.00 C ATOM 156 C GLY A 114 1.402 -7.826 8.966 1.00 0.00 C ATOM 157 O GLY A 114 0.216 -8.133 8.809 1.00 0.00 O ATOM 0 H GLY A 114 0.118 -5.466 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.916 -6.350 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.785 -5.906 9.850 1.00 0.00 H new ATOM 161 N GLY A 115 2.347 -8.724 9.254 1.00 0.00 N ATOM 162 CA GLY A 115 2.135 -10.172 9.361 1.00 0.00 C ATOM 163 C GLY A 115 2.224 -10.929 8.027 1.00 0.00 C ATOM 164 O GLY A 115 1.688 -12.033 7.921 1.00 0.00 O ATOM 0 H GLY A 115 3.316 -8.455 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.873 -10.585 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.154 -10.351 9.801 1.00 0.00 H new ATOM 168 N LEU A 116 2.840 -10.339 6.998 1.00 0.00 N ATOM 169 CA LEU A 116 2.975 -10.924 5.657 1.00 0.00 C ATOM 170 C LEU A 116 3.856 -12.188 5.674 1.00 0.00 C ATOM 171 O LEU A 116 4.943 -12.192 6.253 1.00 0.00 O ATOM 172 CB LEU A 116 3.567 -9.867 4.701 1.00 0.00 C ATOM 173 CG LEU A 116 2.542 -8.830 4.209 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.252 -7.576 3.702 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.719 -9.379 3.042 1.00 0.00 C ATOM 0 H LEU A 116 3.270 -9.417 7.075 1.00 0.00 H new ATOM 0 HA LEU A 116 1.987 -11.225 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.380 -9.348 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.000 -10.373 3.838 1.00 0.00 H new ATOM 0 HG LEU A 116 1.895 -8.599 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.512 -6.853 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.839 -7.138 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.912 -7.841 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.003 -8.625 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.383 -9.631 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.184 -10.273 3.363 1.00 0.00 H new ATOM 187 N SER A 117 3.424 -13.244 4.978 1.00 0.00 N ATOM 188 CA SER A 117 4.233 -14.459 4.797 1.00 0.00 C ATOM 189 C SER A 117 5.506 -14.187 3.986 1.00 0.00 C ATOM 190 O SER A 117 5.469 -13.449 2.997 1.00 0.00 O ATOM 191 CB SER A 117 3.413 -15.571 4.133 1.00 0.00 C ATOM 192 OG SER A 117 4.229 -16.693 3.839 1.00 0.00 O ATOM 0 H SER A 117 2.510 -13.284 4.526 1.00 0.00 H new ATOM 0 HA SER A 117 4.535 -14.788 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.598 -15.871 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.959 -15.196 3.216 1.00 0.00 H new ATOM 0 HG SER A 117 3.686 -17.391 3.418 1.00 0.00 H new ATOM 198 N VAL A 118 6.623 -14.836 4.336 1.00 0.00 N ATOM 199 CA VAL A 118 7.856 -14.834 3.518 1.00 0.00 C ATOM 200 C VAL A 118 7.687 -15.499 2.141 1.00 0.00 C ATOM 201 O VAL A 118 8.522 -15.289 1.260 1.00 0.00 O ATOM 202 CB VAL A 118 9.064 -15.425 4.273 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.301 -14.726 5.617 1.00 0.00 C ATOM 204 CG2 VAL A 118 8.937 -16.935 4.510 1.00 0.00 C ATOM 0 H VAL A 118 6.704 -15.380 5.195 1.00 0.00 H new ATOM 0 HA VAL A 118 8.062 -13.781 3.328 1.00 0.00 H new ATOM 0 HB VAL A 118 9.920 -15.250 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.161 -15.175 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.492 -13.666 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.419 -14.839 6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 118 9.816 -17.295 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.044 -17.137 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 118 8.861 -17.449 3.552 1.00 0.00 H new ATOM 214 N ASN A 119 6.605 -16.259 1.916 1.00 0.00 N ATOM 215 CA ASN A 119 6.227 -16.766 0.592 1.00 0.00 C ATOM 216 C ASN A 119 5.655 -15.654 -0.317 1.00 0.00 C ATOM 217 O ASN A 119 5.836 -15.690 -1.535 1.00 0.00 O ATOM 218 CB ASN A 119 5.213 -17.905 0.797 1.00 0.00 C ATOM 219 CG ASN A 119 4.769 -18.536 -0.512 1.00 0.00 C ATOM 220 OD1 ASN A 119 3.713 -18.234 -1.050 1.00 0.00 O ATOM 221 ND2 ASN A 119 5.536 -19.463 -1.045 1.00 0.00 N ATOM 0 H ASN A 119 5.963 -16.541 2.657 1.00 0.00 H new ATOM 0 HA ASN A 119 7.113 -17.139 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.657 -18.671 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.341 -17.519 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 119 5.250 -19.929 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.417 -19.716 -0.597 1.00 0.00 H new ATOM 228 N THR A 120 4.984 -14.659 0.273 1.00 0.00 N ATOM 229 CA THR A 120 4.344 -13.534 -0.423 1.00 0.00 C ATOM 230 C THR A 120 5.336 -12.525 -0.996 1.00 0.00 C ATOM 231 O THR A 120 6.172 -11.978 -0.273 1.00 0.00 O ATOM 232 CB THR A 120 3.328 -12.841 0.497 1.00 0.00 C ATOM 233 OG1 THR A 120 2.446 -13.810 1.027 1.00 0.00 O ATOM 234 CG2 THR A 120 2.481 -11.778 -0.190 1.00 0.00 C ATOM 0 H THR A 120 4.867 -14.612 1.285 1.00 0.00 H new ATOM 0 HA THR A 120 3.823 -13.960 -1.280 1.00 0.00 H new ATOM 0 HB THR A 120 3.918 -12.342 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.796 -13.373 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.791 -11.340 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.130 -10.999 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.915 -12.233 -1.003 1.00 0.00 H new ATOM 242 N THR A 121 5.218 -12.258 -2.298 1.00 0.00 N ATOM 243 CA THR A 121 5.998 -11.246 -3.031 1.00 0.00 C ATOM 244 C THR A 121 5.439 -9.825 -3.006 1.00 0.00 C ATOM 245 O THR A 121 4.273 -9.599 -2.677 1.00 0.00 O ATOM 246 CB THR A 121 6.374 -11.679 -4.460 1.00 0.00 C ATOM 247 OG1 THR A 121 5.389 -11.255 -5.375 1.00 0.00 O ATOM 248 CG2 THR A 121 6.560 -13.183 -4.634 1.00 0.00 C ATOM 0 H THR A 121 4.556 -12.754 -2.895 1.00 0.00 H new ATOM 0 HA THR A 121 6.917 -11.193 -2.447 1.00 0.00 H new ATOM 0 HB THR A 121 7.337 -11.205 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 121 5.641 -11.535 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.823 -13.400 -5.669 1.00 0.00 H new ATOM 0 HG22 THR A 121 7.358 -13.529 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.632 -13.696 -4.380 1.00 0.00 H new ATOM 256 N VAL A 122 6.252 -8.845 -3.408 1.00 0.00 N ATOM 257 CA VAL A 122 5.777 -7.468 -3.627 1.00 0.00 C ATOM 258 C VAL A 122 4.729 -7.349 -4.743 1.00 0.00 C ATOM 259 O VAL A 122 3.799 -6.548 -4.648 1.00 0.00 O ATOM 260 CB VAL A 122 6.970 -6.514 -3.810 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.605 -6.584 -5.205 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.550 -5.072 -3.544 1.00 0.00 C ATOM 0 H VAL A 122 7.247 -8.976 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 122 5.241 -7.162 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 122 7.717 -6.842 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.439 -5.885 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.967 -7.596 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.861 -6.322 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.407 -4.413 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.761 -4.788 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.181 -4.983 -2.522 1.00 0.00 H new ATOM 272 N GLU A 123 4.830 -8.195 -5.772 1.00 0.00 N ATOM 273 CA GLU A 123 3.849 -8.286 -6.859 1.00 0.00 C ATOM 274 C GLU A 123 2.550 -8.963 -6.392 1.00 0.00 C ATOM 275 O GLU A 123 1.466 -8.533 -6.790 1.00 0.00 O ATOM 276 CB GLU A 123 4.447 -9.042 -8.059 1.00 0.00 C ATOM 277 CG GLU A 123 5.716 -8.399 -8.648 1.00 0.00 C ATOM 278 CD GLU A 123 5.505 -7.016 -9.303 1.00 0.00 C ATOM 279 OE1 GLU A 123 6.522 -6.350 -9.619 1.00 0.00 O ATOM 280 OE2 GLU A 123 4.348 -6.590 -9.539 1.00 0.00 O ATOM 0 H GLU A 123 5.608 -8.847 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 123 3.601 -7.271 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.680 -10.061 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.692 -9.111 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.456 -8.299 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.136 -9.076 -9.392 1.00 0.00 H new ATOM 287 N ASP A 124 2.633 -9.957 -5.497 1.00 0.00 N ATOM 288 CA ASP A 124 1.457 -10.516 -4.818 1.00 0.00 C ATOM 289 C ASP A 124 0.693 -9.452 -4.023 1.00 0.00 C ATOM 290 O ASP A 124 -0.516 -9.303 -4.188 1.00 0.00 O ATOM 291 CB ASP A 124 1.816 -11.669 -3.866 1.00 0.00 C ATOM 292 CG ASP A 124 2.359 -12.953 -4.502 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.926 -13.756 -3.721 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.181 -13.193 -5.720 1.00 0.00 O ATOM 0 H ASP A 124 3.513 -10.394 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 124 0.823 -10.901 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.557 -11.303 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.925 -11.925 -3.293 1.00 0.00 H new ATOM 299 N VAL A 125 1.402 -8.665 -3.203 1.00 0.00 N ATOM 300 CA VAL A 125 0.809 -7.571 -2.414 1.00 0.00 C ATOM 301 C VAL A 125 0.154 -6.548 -3.349 1.00 0.00 C ATOM 302 O VAL A 125 -1.012 -6.202 -3.149 1.00 0.00 O ATOM 303 CB VAL A 125 1.881 -6.917 -1.519 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.400 -5.635 -0.837 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.305 -7.890 -0.413 1.00 0.00 C ATOM 0 H VAL A 125 2.408 -8.768 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 125 0.035 -7.974 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 125 2.709 -6.668 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.202 -5.227 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 125 1.115 -4.905 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.539 -5.859 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.062 -7.420 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.439 -8.149 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.716 -8.794 -0.862 1.00 0.00 H new ATOM 315 N LYS A 126 0.850 -6.105 -4.407 1.00 0.00 N ATOM 316 CA LYS A 126 0.309 -5.149 -5.386 1.00 0.00 C ATOM 317 C LYS A 126 -0.981 -5.666 -6.042 1.00 0.00 C ATOM 318 O LYS A 126 -1.994 -4.967 -6.029 1.00 0.00 O ATOM 319 CB LYS A 126 1.410 -4.805 -6.403 1.00 0.00 C ATOM 320 CG LYS A 126 0.986 -3.739 -7.425 1.00 0.00 C ATOM 321 CD LYS A 126 2.203 -3.267 -8.236 1.00 0.00 C ATOM 322 CE LYS A 126 1.885 -2.124 -9.211 1.00 0.00 C ATOM 323 NZ LYS A 126 0.974 -2.544 -10.305 1.00 0.00 N ATOM 0 H LYS A 126 1.805 -6.400 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 126 0.015 -4.231 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.292 -4.454 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.700 -5.712 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.230 -4.148 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.532 -2.892 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.983 -2.941 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.605 -4.111 -8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.431 -1.299 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.814 -1.749 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.151 -1.961 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.145 -3.544 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.013 -2.422 -10.001 1.00 0.00 H new ATOM 337 N HIS A 127 -0.981 -6.908 -6.533 1.00 0.00 N ATOM 338 CA HIS A 127 -2.150 -7.563 -7.131 1.00 0.00 C ATOM 339 C HIS A 127 -3.329 -7.700 -6.153 1.00 0.00 C ATOM 340 O HIS A 127 -4.456 -7.328 -6.487 1.00 0.00 O ATOM 341 CB HIS A 127 -1.704 -8.931 -7.665 1.00 0.00 C ATOM 342 CG HIS A 127 -2.746 -9.621 -8.505 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.843 -10.347 -8.032 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.707 -9.710 -9.863 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.456 -10.836 -9.124 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.796 -10.469 -10.238 1.00 0.00 N ATOM 0 H HIS A 127 -0.151 -7.500 -6.526 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.524 -6.940 -7.943 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.799 -8.802 -8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.445 -9.573 -6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -1.968 -9.272 -10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.352 -11.439 -9.109 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.056 -10.710 -11.194 1.00 0.00 H new ATOM 354 N TYR A 128 -3.074 -8.158 -4.923 1.00 0.00 N ATOM 355 CA TYR A 128 -4.077 -8.281 -3.868 1.00 0.00 C ATOM 356 C TYR A 128 -4.723 -6.992 -3.336 1.00 0.00 C ATOM 357 O TYR A 128 -5.840 -7.049 -2.818 1.00 0.00 O ATOM 358 CB TYR A 128 -3.604 -9.229 -2.758 1.00 0.00 C ATOM 359 CG TYR A 128 -3.795 -10.717 -3.025 1.00 0.00 C ATOM 360 CD1 TYR A 128 -3.037 -11.384 -4.010 1.00 0.00 C ATOM 361 CD2 TYR A 128 -4.706 -11.454 -2.242 1.00 0.00 C ATOM 362 CE1 TYR A 128 -3.155 -12.777 -4.182 1.00 0.00 C ATOM 363 CE2 TYR A 128 -4.831 -12.847 -2.411 1.00 0.00 C ATOM 364 CZ TYR A 128 -4.045 -13.516 -3.372 1.00 0.00 C ATOM 365 OH TYR A 128 -4.141 -14.867 -3.504 1.00 0.00 O ATOM 0 H TYR A 128 -2.144 -8.459 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.926 -8.732 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.545 -9.045 -2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.133 -8.974 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -2.361 -10.822 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.313 -10.947 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -2.565 -13.280 -4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.530 -13.403 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 128 -4.801 -15.212 -2.867 1.00 0.00 H new ATOM 375 N PHE A 129 -4.074 -5.833 -3.500 1.00 0.00 N ATOM 376 CA PHE A 129 -4.663 -4.521 -3.189 1.00 0.00 C ATOM 377 C PHE A 129 -5.365 -3.770 -4.331 1.00 0.00 C ATOM 378 O PHE A 129 -6.285 -2.989 -4.090 1.00 0.00 O ATOM 379 CB PHE A 129 -3.716 -3.666 -2.334 1.00 0.00 C ATOM 380 CG PHE A 129 -3.594 -4.189 -0.912 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.686 -4.127 -0.025 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.408 -4.827 -0.505 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.603 -4.739 1.240 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.319 -5.426 0.762 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.425 -5.402 1.624 1.00 0.00 C ATOM 0 H PHE A 129 -3.119 -5.777 -3.854 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.530 -4.759 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.730 -3.646 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.078 -2.638 -2.311 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.588 -3.609 -0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.559 -4.856 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.445 -4.699 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.401 -5.904 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.371 -5.894 2.584 1.00 0.00 H new ATOM 395 N GLU A 130 -5.008 -4.071 -5.583 1.00 0.00 N ATOM 396 CA GLU A 130 -5.636 -3.496 -6.786 1.00 0.00 C ATOM 397 C GLU A 130 -7.133 -3.824 -6.956 1.00 0.00 C ATOM 398 O GLU A 130 -7.836 -3.113 -7.679 1.00 0.00 O ATOM 399 CB GLU A 130 -4.853 -3.917 -8.040 1.00 0.00 C ATOM 400 CG GLU A 130 -3.600 -3.051 -8.236 1.00 0.00 C ATOM 401 CD GLU A 130 -2.670 -3.539 -9.364 1.00 0.00 C ATOM 402 OE1 GLU A 130 -1.678 -2.828 -9.651 1.00 0.00 O ATOM 403 OE2 GLU A 130 -2.904 -4.609 -9.977 1.00 0.00 O ATOM 0 H GLU A 130 -4.262 -4.732 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.592 -2.415 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.563 -4.964 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.495 -3.834 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.908 -2.028 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.039 -3.026 -7.302 1.00 0.00 H new ATOM 410 N GLN A 131 -7.652 -4.855 -6.275 1.00 0.00 N ATOM 411 CA GLN A 131 -9.086 -5.190 -6.288 1.00 0.00 C ATOM 412 C GLN A 131 -9.970 -4.084 -5.678 1.00 0.00 C ATOM 413 O GLN A 131 -11.129 -3.934 -6.071 1.00 0.00 O ATOM 414 CB GLN A 131 -9.323 -6.535 -5.576 1.00 0.00 C ATOM 415 CG GLN A 131 -9.047 -6.535 -4.063 1.00 0.00 C ATOM 416 CD GLN A 131 -9.262 -7.914 -3.438 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.289 -8.560 -3.613 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.317 -8.417 -2.674 1.00 0.00 N ATOM 0 H GLN A 131 -7.090 -5.482 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.383 -5.276 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.357 -6.837 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.692 -7.291 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.022 -6.212 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.700 -5.811 -3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.456 -7.894 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.445 -9.330 -2.238 1.00 0.00 H new ATOM 427 N PHE A 132 -9.437 -3.303 -4.729 1.00 0.00 N ATOM 428 CA PHE A 132 -10.167 -2.232 -4.039 1.00 0.00 C ATOM 429 C PHE A 132 -10.196 -0.900 -4.800 1.00 0.00 C ATOM 430 O PHE A 132 -11.122 -0.104 -4.632 1.00 0.00 O ATOM 431 CB PHE A 132 -9.555 -2.053 -2.646 1.00 0.00 C ATOM 432 CG PHE A 132 -9.631 -3.317 -1.812 1.00 0.00 C ATOM 433 CD1 PHE A 132 -10.877 -3.828 -1.403 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.454 -4.025 -1.509 1.00 0.00 C ATOM 435 CE1 PHE A 132 -10.939 -5.040 -0.694 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.515 -5.221 -0.777 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.759 -5.733 -0.372 1.00 0.00 C ATOM 0 H PHE A 132 -8.471 -3.399 -4.414 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.212 -2.536 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.513 -1.750 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.072 -1.247 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.784 -3.289 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.499 -3.646 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.897 -5.440 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.606 -5.747 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.809 -6.657 0.185 1.00 0.00 H new ATOM 447 N GLY A 133 -9.179 -0.669 -5.631 1.00 0.00 N ATOM 448 CA GLY A 133 -8.934 0.546 -6.409 1.00 0.00 C ATOM 449 C GLY A 133 -7.468 0.630 -6.848 1.00 0.00 C ATOM 450 O GLY A 133 -6.653 -0.221 -6.481 1.00 0.00 O ATOM 0 H GLY A 133 -8.457 -1.372 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.581 0.557 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.190 1.422 -5.813 1.00 0.00 H new ATOM 454 N LYS A 134 -7.114 1.641 -7.649 1.00 0.00 N ATOM 455 CA LYS A 134 -5.778 1.751 -8.255 1.00 0.00 C ATOM 456 C LYS A 134 -4.675 1.972 -7.208 1.00 0.00 C ATOM 457 O LYS A 134 -4.764 2.841 -6.336 1.00 0.00 O ATOM 458 CB LYS A 134 -5.781 2.817 -9.364 1.00 0.00 C ATOM 459 CG LYS A 134 -4.428 3.008 -10.076 1.00 0.00 C ATOM 460 CD LYS A 134 -3.952 1.764 -10.849 1.00 0.00 C ATOM 461 CE LYS A 134 -2.788 2.057 -11.811 1.00 0.00 C ATOM 462 NZ LYS A 134 -1.597 2.627 -11.125 1.00 0.00 N ATOM 0 H LYS A 134 -7.742 2.405 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.537 0.796 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.532 2.547 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.087 3.770 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.507 3.846 -10.768 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.673 3.276 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.643 0.998 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.788 1.354 -11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.502 1.135 -12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.125 2.752 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.745 2.432 -11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.715 3.655 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -1.497 2.193 -10.185 1.00 0.00 H new ATOM 476 N VAL A 135 -3.614 1.187 -7.358 1.00 0.00 N ATOM 477 CA VAL A 135 -2.397 1.189 -6.532 1.00 0.00 C ATOM 478 C VAL A 135 -1.300 1.904 -7.321 1.00 0.00 C ATOM 479 O VAL A 135 -1.114 1.657 -8.514 1.00 0.00 O ATOM 480 CB VAL A 135 -2.004 -0.263 -6.185 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.602 -0.403 -5.581 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.022 -0.848 -5.195 1.00 0.00 C ATOM 0 H VAL A 135 -3.571 0.489 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.557 1.713 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 135 -2.001 -0.807 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.402 -1.453 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.138 -0.031 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.544 0.174 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.744 -1.873 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.031 -0.248 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.014 -0.839 -5.646 1.00 0.00 H new ATOM 492 N ASP A 136 -0.584 2.810 -6.661 1.00 0.00 N ATOM 493 CA ASP A 136 0.553 3.544 -7.219 1.00 0.00 C ATOM 494 C ASP A 136 1.876 2.753 -7.194 1.00 0.00 C ATOM 495 O ASP A 136 2.581 2.671 -8.201 1.00 0.00 O ATOM 496 CB ASP A 136 0.663 4.913 -6.526 1.00 0.00 C ATOM 497 CG ASP A 136 1.950 5.679 -6.875 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.658 6.126 -5.942 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.232 5.877 -8.081 1.00 0.00 O ATOM 0 H ASP A 136 -0.783 3.063 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 136 0.361 3.700 -8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.198 5.521 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.617 4.769 -5.447 1.00 0.00 H new ATOM 504 N ASP A 137 2.190 2.128 -6.053 1.00 0.00 N ATOM 505 CA ASP A 137 3.416 1.343 -5.839 1.00 0.00 C ATOM 506 C ASP A 137 3.246 0.431 -4.601 1.00 0.00 C ATOM 507 O ASP A 137 2.383 0.670 -3.751 1.00 0.00 O ATOM 508 CB ASP A 137 4.587 2.319 -5.599 1.00 0.00 C ATOM 509 CG ASP A 137 5.977 1.668 -5.721 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.969 2.298 -5.281 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.092 0.551 -6.280 1.00 0.00 O ATOM 0 H ASP A 137 1.585 2.153 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 137 3.615 0.722 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.516 3.138 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.486 2.754 -4.605 1.00 0.00 H new ATOM 516 N ALA A 138 4.100 -0.587 -4.471 1.00 0.00 N ATOM 517 CA ALA A 138 4.181 -1.496 -3.322 1.00 0.00 C ATOM 518 C ALA A 138 5.645 -1.834 -2.971 1.00 0.00 C ATOM 519 O ALA A 138 6.524 -1.799 -3.836 1.00 0.00 O ATOM 520 CB ALA A 138 3.365 -2.762 -3.620 1.00 0.00 C ATOM 0 H ALA A 138 4.784 -0.811 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 138 3.759 -1.001 -2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.422 -3.441 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.324 -2.491 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.768 -3.255 -4.505 1.00 0.00 H new ATOM 526 N MET A 139 5.913 -2.169 -1.704 1.00 0.00 N ATOM 527 CA MET A 139 7.262 -2.458 -1.184 1.00 0.00 C ATOM 528 C MET A 139 7.230 -3.361 0.061 1.00 0.00 C ATOM 529 O MET A 139 6.279 -3.314 0.838 1.00 0.00 O ATOM 530 CB MET A 139 8.006 -1.139 -0.900 1.00 0.00 C ATOM 531 CG MET A 139 7.284 -0.236 0.111 1.00 0.00 C ATOM 532 SD MET A 139 7.942 1.449 0.263 1.00 0.00 S ATOM 533 CE MET A 139 9.562 1.083 0.981 1.00 0.00 C ATOM 0 H MET A 139 5.186 -2.250 -0.993 1.00 0.00 H new ATOM 0 HA MET A 139 7.803 -3.014 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.004 -1.367 -0.524 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.134 -0.594 -1.835 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.233 -0.173 -0.171 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.324 -0.713 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 139 9.714 1.697 1.869 1.00 0.00 H new ATOM 0 HE2 MET A 139 9.608 0.029 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 139 10.341 1.302 0.251 1.00 0.00 H new ATOM 543 N LEU A 140 8.284 -4.157 0.272 1.00 0.00 N ATOM 544 CA LEU A 140 8.491 -5.008 1.457 1.00 0.00 C ATOM 545 C LEU A 140 9.775 -4.598 2.192 1.00 0.00 C ATOM 546 O LEU A 140 10.761 -4.227 1.547 1.00 0.00 O ATOM 547 CB LEU A 140 8.556 -6.496 1.056 1.00 0.00 C ATOM 548 CG LEU A 140 7.336 -7.035 0.289 1.00 0.00 C ATOM 549 CD1 LEU A 140 7.605 -8.471 -0.154 1.00 0.00 C ATOM 550 CD2 LEU A 140 6.077 -7.038 1.152 1.00 0.00 C ATOM 0 H LEU A 140 9.047 -4.232 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 140 7.644 -4.870 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.444 -6.649 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.686 -7.091 1.960 1.00 0.00 H new ATOM 0 HG LEU A 140 7.176 -6.380 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 140 6.740 -8.852 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 140 8.480 -8.494 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 140 7.787 -9.094 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 140 5.239 -7.426 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 140 6.237 -7.669 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.855 -6.021 1.475 1.00 0.00 H new ATOM 562 N MET A 141 9.782 -4.677 3.526 1.00 0.00 N ATOM 563 CA MET A 141 10.949 -4.307 4.339 1.00 0.00 C ATOM 564 C MET A 141 11.785 -5.542 4.681 1.00 0.00 C ATOM 565 O MET A 141 11.254 -6.534 5.178 1.00 0.00 O ATOM 566 CB MET A 141 10.525 -3.548 5.605 1.00 0.00 C ATOM 567 CG MET A 141 9.543 -2.388 5.370 1.00 0.00 C ATOM 568 SD MET A 141 9.732 -1.357 3.886 1.00 0.00 S ATOM 569 CE MET A 141 11.460 -0.845 4.033 1.00 0.00 C ATOM 0 H MET A 141 8.983 -4.998 4.073 1.00 0.00 H new ATOM 0 HA MET A 141 11.573 -3.635 3.750 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.069 -4.255 6.299 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.418 -3.155 6.091 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.537 -2.808 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.599 -1.730 6.237 1.00 0.00 H new ATOM 0 HE1 MET A 141 11.540 0.225 3.843 1.00 0.00 H new ATOM 0 HE2 MET A 141 11.820 -1.063 5.038 1.00 0.00 H new ATOM 0 HE3 MET A 141 12.064 -1.388 3.306 1.00 0.00 H new ATOM 699 N HIS A 149 12.031 -11.178 3.682 1.00 0.00 N ATOM 700 CA HIS A 149 11.538 -9.933 4.282 1.00 0.00 C ATOM 701 C HIS A 149 11.157 -10.116 5.767 1.00 0.00 C ATOM 702 O HIS A 149 10.983 -11.239 6.246 1.00 0.00 O ATOM 703 CB HIS A 149 10.423 -9.347 3.404 1.00 0.00 C ATOM 704 CG HIS A 149 9.116 -10.085 3.475 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.164 -9.908 4.479 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.611 -10.919 2.520 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.112 -10.653 4.111 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.349 -11.266 2.942 1.00 0.00 N ATOM 0 HA HIS A 149 12.340 -9.196 4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.256 -8.310 3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.763 -9.335 2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.104 -11.242 1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.198 -10.747 4.679 1.00 0.00 H new ATOM 0 HE2 HIS A 149 6.704 -11.884 2.450 1.00 0.00 H new ATOM 716 N ARG A 150 11.063 -9.009 6.516 1.00 0.00 N ATOM 717 CA ARG A 150 10.859 -8.930 7.970 1.00 0.00 C ATOM 718 C ARG A 150 9.387 -9.097 8.411 1.00 0.00 C ATOM 719 O ARG A 150 9.056 -8.922 9.584 1.00 0.00 O ATOM 720 CB ARG A 150 11.568 -7.630 8.416 1.00 0.00 C ATOM 721 CG ARG A 150 11.431 -7.273 9.895 1.00 0.00 C ATOM 722 CD ARG A 150 12.505 -6.274 10.371 1.00 0.00 C ATOM 723 NE ARG A 150 12.097 -5.322 11.439 1.00 0.00 N ATOM 724 CZ ARG A 150 11.151 -5.401 12.363 1.00 0.00 C ATOM 725 NH1 ARG A 150 10.477 -6.472 12.659 1.00 0.00 N ATOM 726 NH2 ARG A 150 10.816 -4.357 13.052 1.00 0.00 N ATOM 0 H ARG A 150 11.132 -8.083 6.095 1.00 0.00 H new ATOM 0 HA ARG A 150 11.303 -9.779 8.489 1.00 0.00 H new ATOM 0 HB2 ARG A 150 12.628 -7.717 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 150 11.176 -6.803 7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 150 10.443 -6.848 10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 150 11.498 -8.183 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.364 -6.841 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.841 -5.697 9.509 1.00 0.00 H new ATOM 0 HE ARG A 150 12.640 -4.459 11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 150 10.661 -7.344 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 150 9.764 -6.441 13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.282 -3.465 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 150 10.087 -4.427 13.762 1.00 0.00 H new ATOM 740 N GLY A 151 8.492 -9.463 7.491 1.00 0.00 N ATOM 741 CA GLY A 151 7.082 -9.754 7.773 1.00 0.00 C ATOM 742 C GLY A 151 6.138 -8.555 7.659 1.00 0.00 C ATOM 743 O GLY A 151 4.995 -8.641 8.110 1.00 0.00 O ATOM 0 H GLY A 151 8.732 -9.568 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.743 -10.531 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.006 -10.163 8.781 1.00 0.00 H new ATOM 747 N PHE A 152 6.575 -7.436 7.073 1.00 0.00 N ATOM 748 CA PHE A 152 5.712 -6.274 6.840 1.00 0.00 C ATOM 749 C PHE A 152 6.213 -5.482 5.616 1.00 0.00 C ATOM 750 O PHE A 152 7.351 -5.631 5.155 1.00 0.00 O ATOM 751 CB PHE A 152 5.689 -5.377 8.093 1.00 0.00 C ATOM 752 CG PHE A 152 6.930 -4.539 8.344 1.00 0.00 C ATOM 753 CD1 PHE A 152 8.076 -5.107 8.930 1.00 0.00 C ATOM 754 CD2 PHE A 152 6.922 -3.171 8.009 1.00 0.00 C ATOM 755 CE1 PHE A 152 9.208 -4.307 9.168 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.044 -2.369 8.277 1.00 0.00 C ATOM 757 CZ PHE A 152 9.193 -2.944 8.842 1.00 0.00 C ATOM 0 H PHE A 152 7.534 -7.310 6.748 1.00 0.00 H new ATOM 0 HA PHE A 152 4.697 -6.616 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.833 -4.706 8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.522 -6.011 8.964 1.00 0.00 H new ATOM 0 HD1 PHE A 152 8.086 -6.154 9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.049 -2.737 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 152 10.093 -4.745 9.604 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.022 -1.314 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.066 -2.336 9.026 1.00 0.00 H new ATOM 767 N GLY A 153 5.339 -4.622 5.092 1.00 0.00 N ATOM 768 CA GLY A 153 5.606 -3.754 3.947 1.00 0.00 C ATOM 769 C GLY A 153 4.604 -2.605 3.823 1.00 0.00 C ATOM 770 O GLY A 153 3.782 -2.382 4.715 1.00 0.00 O ATOM 0 H GLY A 153 4.397 -4.508 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.612 -3.344 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.584 -4.349 3.034 1.00 0.00 H new ATOM 774 N PHE A 154 4.667 -1.885 2.703 1.00 0.00 N ATOM 775 CA PHE A 154 3.806 -0.739 2.396 1.00 0.00 C ATOM 776 C PHE A 154 3.131 -0.799 1.020 1.00 0.00 C ATOM 777 O PHE A 154 3.678 -1.377 0.077 1.00 0.00 O ATOM 778 CB PHE A 154 4.586 0.571 2.541 1.00 0.00 C ATOM 779 CG PHE A 154 5.108 0.863 3.930 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.370 1.671 4.812 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.346 0.331 4.334 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.874 1.954 6.091 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.829 0.581 5.627 1.00 0.00 C ATOM 784 CZ PHE A 154 6.099 1.399 6.504 1.00 0.00 C ATOM 0 H PHE A 154 5.338 -2.088 1.962 1.00 0.00 H new ATOM 0 HA PHE A 154 2.998 -0.781 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.429 0.551 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 154 3.942 1.394 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.416 2.074 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.925 -0.270 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 154 4.321 2.598 6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.763 0.144 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.478 1.602 7.495 1.00 0.00 H new ATOM 794 N VAL A 155 1.978 -0.135 0.890 1.00 0.00 N ATOM 795 CA VAL A 155 1.251 0.063 -0.380 1.00 0.00 C ATOM 796 C VAL A 155 0.753 1.499 -0.535 1.00 0.00 C ATOM 797 O VAL A 155 0.093 2.020 0.363 1.00 0.00 O ATOM 798 CB VAL A 155 0.111 -0.957 -0.594 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.364 -0.970 -2.051 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.504 -2.383 -0.202 1.00 0.00 C ATOM 0 H VAL A 155 1.506 0.294 1.686 1.00 0.00 H new ATOM 0 HA VAL A 155 1.979 -0.122 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.696 -0.627 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.166 -1.699 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.731 0.020 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.467 -1.240 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.338 -3.053 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.354 -2.705 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.777 -2.408 0.853 1.00 0.00 H new ATOM 810 N THR A 156 1.072 2.132 -1.663 1.00 0.00 N ATOM 811 CA THR A 156 0.663 3.498 -2.044 1.00 0.00 C ATOM 812 C THR A 156 -0.518 3.534 -3.015 1.00 0.00 C ATOM 813 O THR A 156 -0.626 2.650 -3.863 1.00 0.00 O ATOM 814 CB THR A 156 1.852 4.371 -2.501 1.00 0.00 C ATOM 815 OG1 THR A 156 3.030 4.060 -1.778 1.00 0.00 O ATOM 816 CG2 THR A 156 1.609 5.869 -2.320 1.00 0.00 C ATOM 0 H THR A 156 1.652 1.690 -2.377 1.00 0.00 H new ATOM 0 HA THR A 156 0.289 3.956 -1.128 1.00 0.00 H new ATOM 0 HB THR A 156 1.964 4.147 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.765 4.627 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.484 6.423 -2.661 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.739 6.170 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.431 6.084 -1.266 1.00 0.00 H new ATOM 824 N PHE A 157 -1.404 4.529 -2.928 1.00 0.00 N ATOM 825 CA PHE A 157 -2.694 4.568 -3.622 1.00 0.00 C ATOM 826 C PHE A 157 -2.936 5.766 -4.546 1.00 0.00 C ATOM 827 O PHE A 157 -2.391 6.849 -4.335 1.00 0.00 O ATOM 828 CB PHE A 157 -3.830 4.360 -2.610 1.00 0.00 C ATOM 829 CG PHE A 157 -3.921 2.946 -2.067 1.00 0.00 C ATOM 830 CD1 PHE A 157 -4.842 2.029 -2.606 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.073 2.538 -1.020 1.00 0.00 C ATOM 832 CE1 PHE A 157 -4.911 0.714 -2.111 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.138 1.223 -0.532 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.054 0.308 -1.076 1.00 0.00 C ATOM 0 H PHE A 157 -1.238 5.356 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.671 3.739 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.692 5.050 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.777 4.618 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.500 2.337 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.371 3.238 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.623 0.017 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.480 0.913 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.099 -0.703 -0.700 1.00 0.00 H new ATOM 844 N GLU A 158 -3.800 5.589 -5.546 1.00 0.00 N ATOM 845 CA GLU A 158 -4.267 6.681 -6.415 1.00 0.00 C ATOM 846 C GLU A 158 -5.153 7.691 -5.660 1.00 0.00 C ATOM 847 O GLU A 158 -5.075 8.899 -5.904 1.00 0.00 O ATOM 848 CB GLU A 158 -5.010 6.064 -7.614 1.00 0.00 C ATOM 849 CG GLU A 158 -5.650 7.056 -8.602 1.00 0.00 C ATOM 850 CD GLU A 158 -4.656 7.950 -9.377 1.00 0.00 C ATOM 851 OE1 GLU A 158 -5.124 8.836 -10.134 1.00 0.00 O ATOM 852 OE2 GLU A 158 -3.418 7.774 -9.272 1.00 0.00 O ATOM 0 H GLU A 158 -4.200 4.681 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.405 7.249 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.309 5.436 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.793 5.409 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.245 6.494 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.338 7.698 -8.052 1.00 0.00 H new ATOM 859 N SER A 159 -5.956 7.216 -4.702 1.00 0.00 N ATOM 860 CA SER A 159 -6.859 8.031 -3.878 1.00 0.00 C ATOM 861 C SER A 159 -6.880 7.567 -2.422 1.00 0.00 C ATOM 862 O SER A 159 -6.854 6.367 -2.137 1.00 0.00 O ATOM 863 CB SER A 159 -8.273 8.008 -4.465 1.00 0.00 C ATOM 864 OG SER A 159 -9.135 8.810 -3.676 1.00 0.00 O ATOM 0 H SER A 159 -5.998 6.223 -4.471 1.00 0.00 H new ATOM 0 HA SER A 159 -6.481 9.053 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.257 8.376 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.645 6.984 -4.500 1.00 0.00 H new ATOM 0 HG SER A 159 -10.038 8.793 -4.057 1.00 0.00 H new ATOM 870 N GLU A 160 -6.981 8.516 -1.488 1.00 0.00 N ATOM 871 CA GLU A 160 -7.149 8.205 -0.063 1.00 0.00 C ATOM 872 C GLU A 160 -8.533 7.580 0.217 1.00 0.00 C ATOM 873 O GLU A 160 -8.703 6.877 1.209 1.00 0.00 O ATOM 874 CB GLU A 160 -6.928 9.468 0.788 1.00 0.00 C ATOM 875 CG GLU A 160 -6.325 9.088 2.150 1.00 0.00 C ATOM 876 CD GLU A 160 -6.420 10.190 3.225 1.00 0.00 C ATOM 877 OE1 GLU A 160 -6.770 11.352 2.907 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.174 9.869 4.416 1.00 0.00 O ATOM 0 H GLU A 160 -6.949 9.514 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.398 7.466 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.263 10.156 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.875 9.989 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -6.829 8.195 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.276 8.827 2.008 1.00 0.00 H new ATOM 885 N ASP A 161 -9.511 7.746 -0.681 1.00 0.00 N ATOM 886 CA ASP A 161 -10.784 7.015 -0.614 1.00 0.00 C ATOM 887 C ASP A 161 -10.645 5.487 -0.711 1.00 0.00 C ATOM 888 O ASP A 161 -11.407 4.750 -0.082 1.00 0.00 O ATOM 889 CB ASP A 161 -11.798 7.550 -1.641 1.00 0.00 C ATOM 890 CG ASP A 161 -12.394 8.936 -1.322 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.187 9.485 -0.212 1.00 0.00 O ATOM 892 OD2 ASP A 161 -13.115 9.478 -2.193 1.00 0.00 O ATOM 0 H ASP A 161 -9.444 8.387 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.169 7.207 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.312 7.598 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.615 6.833 -1.727 1.00 0.00 H new ATOM 897 N ILE A 162 -9.630 5.001 -1.442 1.00 0.00 N ATOM 898 CA ILE A 162 -9.272 3.575 -1.437 1.00 0.00 C ATOM 899 C ILE A 162 -8.579 3.211 -0.129 1.00 0.00 C ATOM 900 O ILE A 162 -8.920 2.197 0.466 1.00 0.00 O ATOM 901 CB ILE A 162 -8.383 3.170 -2.628 1.00 0.00 C ATOM 902 CG1 ILE A 162 -8.861 3.701 -3.987 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.273 1.637 -2.700 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.340 3.446 -4.314 1.00 0.00 C ATOM 0 H ILE A 162 -9.042 5.576 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.205 3.021 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.413 3.630 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.679 4.775 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.251 3.249 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.643 1.357 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.832 1.260 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.266 1.207 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.573 3.861 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.532 2.373 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -10.967 3.923 -3.560 1.00 0.00 H new ATOM 916 N VAL A 163 -7.659 4.047 0.366 1.00 0.00 N ATOM 917 CA VAL A 163 -6.975 3.796 1.646 1.00 0.00 C ATOM 918 C VAL A 163 -8.005 3.633 2.768 1.00 0.00 C ATOM 919 O VAL A 163 -7.907 2.694 3.551 1.00 0.00 O ATOM 920 CB VAL A 163 -6.001 4.937 1.993 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.411 4.824 3.402 1.00 0.00 C ATOM 922 CG2 VAL A 163 -4.860 4.952 0.983 1.00 0.00 C ATOM 0 H VAL A 163 -7.368 4.907 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.399 2.876 1.545 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.577 5.862 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.734 5.659 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.216 4.846 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.863 3.886 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.169 5.759 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.332 3.999 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.262 5.108 -0.018 1.00 0.00 H new ATOM 932 N GLU A 164 -9.030 4.487 2.809 1.00 0.00 N ATOM 933 CA GLU A 164 -10.169 4.356 3.730 1.00 0.00 C ATOM 934 C GLU A 164 -10.942 3.038 3.538 1.00 0.00 C ATOM 935 O GLU A 164 -11.171 2.324 4.515 1.00 0.00 O ATOM 936 CB GLU A 164 -11.118 5.559 3.583 1.00 0.00 C ATOM 937 CG GLU A 164 -10.537 6.886 4.103 1.00 0.00 C ATOM 938 CD GLU A 164 -10.349 6.960 5.632 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.872 6.104 6.386 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.658 7.901 6.092 1.00 0.00 O ATOM 0 H GLU A 164 -9.096 5.300 2.197 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.759 4.338 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.378 5.676 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.043 5.346 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.572 7.055 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.193 7.699 3.793 1.00 0.00 H new ATOM 947 N LYS A 165 -11.293 2.667 2.295 1.00 0.00 N ATOM 948 CA LYS A 165 -11.996 1.409 1.965 1.00 0.00 C ATOM 949 C LYS A 165 -11.222 0.167 2.433 1.00 0.00 C ATOM 950 O LYS A 165 -11.779 -0.711 3.092 1.00 0.00 O ATOM 951 CB LYS A 165 -12.250 1.373 0.446 1.00 0.00 C ATOM 952 CG LYS A 165 -13.145 0.202 0.005 1.00 0.00 C ATOM 953 CD LYS A 165 -13.151 0.000 -1.519 1.00 0.00 C ATOM 954 CE LYS A 165 -13.615 1.237 -2.300 1.00 0.00 C ATOM 955 NZ LYS A 165 -13.628 0.978 -3.764 1.00 0.00 N ATOM 0 H LYS A 165 -11.094 3.241 1.475 1.00 0.00 H new ATOM 0 HA LYS A 165 -12.946 1.387 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.714 2.311 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.294 1.306 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.802 -0.713 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.164 0.380 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.147 -0.270 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.802 -0.839 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -14.613 1.524 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -12.954 2.076 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -13.813 1.866 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -12.706 0.597 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -14.374 0.289 -3.988 1.00 0.00 H new ATOM 969 N VAL A 166 -9.928 0.115 2.121 1.00 0.00 N ATOM 970 CA VAL A 166 -8.996 -0.963 2.491 1.00 0.00 C ATOM 971 C VAL A 166 -8.787 -1.006 4.012 1.00 0.00 C ATOM 972 O VAL A 166 -8.858 -2.072 4.622 1.00 0.00 O ATOM 973 CB VAL A 166 -7.651 -0.769 1.754 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.640 -1.869 2.086 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.804 -0.756 0.225 1.00 0.00 C ATOM 0 H VAL A 166 -9.475 0.852 1.580 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.426 -1.918 2.189 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.293 0.199 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.713 -1.687 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.440 -1.868 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.047 -2.837 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.827 -0.617 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.230 -1.703 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.464 0.061 -0.068 1.00 0.00 H new ATOM 985 N CYS A 167 -8.570 0.142 4.652 1.00 0.00 N ATOM 986 CA CYS A 167 -8.327 0.229 6.097 1.00 0.00 C ATOM 987 C CYS A 167 -9.584 -0.087 6.939 1.00 0.00 C ATOM 988 O CYS A 167 -9.466 -0.680 8.011 1.00 0.00 O ATOM 989 CB CYS A 167 -7.739 1.615 6.401 1.00 0.00 C ATOM 990 SG CYS A 167 -7.253 1.763 8.146 1.00 0.00 S ATOM 0 H CYS A 167 -8.557 1.047 4.181 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.610 -0.539 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -6.872 1.791 5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.473 2.384 6.160 1.00 0.00 H new ATOM 0 HG CYS A 167 -7.883 0.870 8.849 1.00 0.00 H new ATOM 996 N GLU A 168 -10.793 0.214 6.451 1.00 0.00 N ATOM 997 CA GLU A 168 -12.061 -0.149 7.081 1.00 0.00 C ATOM 998 C GLU A 168 -12.278 -1.677 7.154 1.00 0.00 C ATOM 999 O GLU A 168 -12.854 -2.173 8.126 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.174 0.570 6.298 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.562 0.236 6.837 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.712 1.071 6.230 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -16.887 0.811 6.591 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -15.478 1.984 5.400 1.00 0.00 O ATOM 0 H GLU A 168 -10.916 0.732 5.581 1.00 0.00 H new ATOM 0 HA GLU A 168 -12.066 0.170 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.015 1.647 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.117 0.289 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -14.763 -0.820 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.560 0.378 7.918 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.774 -2.435 6.170 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.753 -3.910 6.196 1.00 0.00 C ATOM 1013 C ILE A 169 -10.804 -4.431 7.292 1.00 0.00 C ATOM 1014 O ILE A 169 -11.112 -5.429 7.947 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.385 -4.459 4.798 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.487 -4.097 3.772 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.166 -5.982 4.802 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -12.012 -4.171 2.319 1.00 0.00 C ATOM 0 H ILE A 169 -11.364 -2.040 5.323 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.750 -4.274 6.446 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.443 -3.991 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.333 -4.772 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.848 -3.089 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.910 -6.315 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.353 -6.231 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.079 -6.480 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.834 -3.905 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.186 -3.476 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.678 -5.184 2.097 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.702 -3.706 7.537 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.712 -3.871 8.620 1.00 0.00 C ATOM 1032 C HIS A 170 -7.886 -5.165 8.554 1.00 0.00 C ATOM 1033 O HIS A 170 -6.663 -5.096 8.428 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.394 -3.646 9.985 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.493 -3.651 11.199 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.937 -3.869 12.509 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -7.146 -3.435 11.227 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.845 -3.791 13.289 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.759 -3.534 12.545 1.00 0.00 N ATOM 0 H HIS A 170 -9.457 -2.922 6.933 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.954 -3.101 8.477 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.916 -2.690 9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -10.151 -4.418 10.119 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.508 -3.227 10.381 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.842 -3.917 14.362 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.807 -3.430 12.896 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.536 -6.327 8.584 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.934 -7.638 8.334 1.00 0.00 C ATOM 1049 C PHE A 171 -8.173 -8.228 6.939 1.00 0.00 C ATOM 1050 O PHE A 171 -9.317 -8.427 6.526 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.171 -8.618 9.489 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.271 -8.381 10.688 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -6.011 -9.008 10.755 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.682 -7.531 11.733 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.177 -8.802 11.869 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.844 -7.321 12.843 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.593 -7.958 12.912 1.00 0.00 C ATOM 0 H PHE A 171 -9.533 -6.385 8.791 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.861 -7.447 8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.211 -8.545 9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -8.019 -9.635 9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.685 -9.648 9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.642 -7.040 11.682 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -4.217 -9.293 11.922 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -7.162 -6.669 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.952 -7.799 13.766 1.00 0.00 H new ATOM 1067 N HIS A 172 -7.088 -8.513 6.219 1.00 0.00 N ATOM 1068 CA HIS A 172 -7.071 -8.992 4.829 1.00 0.00 C ATOM 1069 C HIS A 172 -6.415 -10.375 4.729 1.00 0.00 C ATOM 1070 O HIS A 172 -5.783 -10.834 5.677 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.342 -7.956 3.956 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.102 -6.666 3.751 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.803 -6.319 2.591 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.222 -5.650 4.656 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.291 -5.087 2.815 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.949 -4.664 4.040 1.00 0.00 N ATOM 0 H HIS A 172 -6.149 -8.413 6.604 1.00 0.00 H new ATOM 0 HA HIS A 172 -8.094 -9.104 4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.379 -7.727 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.136 -8.400 2.982 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.823 -5.628 5.659 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.876 -4.518 2.108 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.189 -3.760 4.446 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.529 -11.039 3.579 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.852 -12.312 3.288 1.00 0.00 C ATOM 1086 C GLU A 173 -5.048 -12.242 1.980 1.00 0.00 C ATOM 1087 O GLU A 173 -5.544 -11.732 0.974 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.866 -13.471 3.327 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.319 -14.812 2.799 1.00 0.00 C ATOM 1090 CD GLU A 173 -6.420 -14.974 1.265 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -5.437 -15.455 0.654 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.484 -14.667 0.674 1.00 0.00 O ATOM 0 H GLU A 173 -7.104 -10.705 2.806 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.114 -12.509 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.203 -13.609 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.741 -13.193 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.275 -14.908 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.863 -15.627 3.276 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.817 -12.767 2.001 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.913 -12.893 0.846 1.00 0.00 C ATOM 1101 C ILE A 174 -2.182 -14.241 0.936 1.00 0.00 C ATOM 1102 O ILE A 174 -1.613 -14.565 1.980 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.911 -11.709 0.765 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.616 -10.334 0.866 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -1.083 -11.828 -0.529 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.696 -9.115 0.751 1.00 0.00 C ATOM 0 H ILE A 174 -3.404 -13.132 2.859 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.501 -12.859 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.242 -11.767 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.371 -10.273 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.141 -10.283 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.379 -10.998 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.534 -12.770 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.749 -11.801 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.288 -8.203 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -0.955 -9.141 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.189 -9.131 -0.214 1.00 0.00 H new ATOM 1118 N ASN A 175 -2.188 -15.040 -0.139 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.597 -16.391 -0.177 1.00 0.00 C ATOM 1120 C ASN A 175 -2.063 -17.311 0.982 1.00 0.00 C ATOM 1121 O ASN A 175 -1.273 -18.069 1.550 1.00 0.00 O ATOM 1122 CB ASN A 175 -0.061 -16.302 -0.311 1.00 0.00 C ATOM 1123 CG ASN A 175 0.415 -15.661 -1.604 1.00 0.00 C ATOM 1124 OD1 ASN A 175 -0.078 -15.929 -2.692 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.437 -14.846 -1.522 1.00 0.00 N ATOM 0 H ASN A 175 -2.611 -14.764 -1.025 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.979 -16.886 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.334 -15.733 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.357 -17.306 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 175 1.827 -14.430 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 175 1.843 -14.627 -0.612 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.341 -17.215 1.367 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.980 -17.864 2.523 1.00 0.00 C ATOM 1134 C ASN A 176 -3.472 -17.431 3.920 1.00 0.00 C ATOM 1135 O ASN A 176 -3.990 -17.922 4.928 1.00 0.00 O ATOM 1136 CB ASN A 176 -4.045 -19.394 2.330 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.820 -19.799 1.087 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -6.019 -19.583 0.973 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -4.178 -20.440 0.134 1.00 0.00 N ATOM 0 H ASN A 176 -4.004 -16.643 0.844 1.00 0.00 H new ATOM 0 HA ASN A 176 -5.000 -17.481 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.032 -19.791 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.510 -19.847 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -4.680 -20.755 -0.696 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -3.179 -20.622 0.226 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.516 -16.493 4.017 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.103 -15.848 5.277 1.00 0.00 C ATOM 1148 C LYS A 177 -2.956 -14.604 5.547 1.00 0.00 C ATOM 1149 O LYS A 177 -3.143 -13.777 4.656 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.594 -15.528 5.227 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.029 -14.857 6.493 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.249 -15.712 7.752 1.00 0.00 C ATOM 1153 CE LYS A 177 0.526 -15.211 8.973 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.155 -13.838 9.390 1.00 0.00 N ATOM 0 H LYS A 177 -1.997 -16.154 3.207 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.268 -16.530 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.047 -16.454 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.404 -14.877 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.038 -14.676 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.503 -13.885 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.313 -15.729 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.047 -16.739 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.355 -15.893 9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.593 -15.239 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.170 -13.774 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.834 -13.159 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.800 -13.616 9.043 1.00 0.00 H new ATOM 1168 N MET A 178 -3.451 -14.448 6.777 1.00 0.00 N ATOM 1169 CA MET A 178 -4.159 -13.248 7.220 1.00 0.00 C ATOM 1170 C MET A 178 -3.167 -12.170 7.676 1.00 0.00 C ATOM 1171 O MET A 178 -2.190 -12.475 8.369 1.00 0.00 O ATOM 1172 CB MET A 178 -5.205 -13.610 8.286 1.00 0.00 C ATOM 1173 CG MET A 178 -5.872 -12.372 8.902 1.00 0.00 C ATOM 1174 SD MET A 178 -7.513 -12.651 9.621 1.00 0.00 S ATOM 1175 CE MET A 178 -8.503 -12.698 8.099 1.00 0.00 C ATOM 0 H MET A 178 -3.370 -15.161 7.501 1.00 0.00 H new ATOM 0 HA MET A 178 -4.707 -12.817 6.382 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.969 -14.245 7.839 1.00 0.00 H new ATOM 0 HB3 MET A 178 -4.728 -14.192 9.075 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.217 -11.975 9.677 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.957 -11.605 8.132 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.550 -12.863 8.351 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.402 -11.750 7.570 1.00 0.00 H new ATOM 0 HE3 MET A 178 -8.151 -13.509 7.461 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.428 -10.922 7.288 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.574 -9.748 7.519 1.00 0.00 C ATOM 1187 C VAL A 179 -3.390 -8.542 7.990 1.00 0.00 C ATOM 1188 O VAL A 179 -4.582 -8.431 7.699 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.749 -9.381 6.267 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.865 -10.549 5.833 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.592 -8.939 5.062 1.00 0.00 C ATOM 0 H VAL A 179 -4.280 -10.687 6.780 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.878 -10.021 8.312 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.146 -8.527 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.294 -10.264 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.179 -10.806 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.490 -11.411 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.935 -8.700 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.266 -9.746 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.175 -8.057 5.329 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.743 -7.626 8.709 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.365 -6.389 9.207 1.00 0.00 C ATOM 1203 C GLU A 180 -2.954 -5.174 8.360 1.00 0.00 C ATOM 1204 O GLU A 180 -1.759 -4.955 8.141 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.982 -6.161 10.678 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.868 -5.088 11.330 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.397 -4.648 12.727 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -2.302 -5.054 13.183 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -4.085 -3.804 13.347 1.00 0.00 O ATOM 0 H GLU A 180 -1.761 -7.718 8.968 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.446 -6.502 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -3.077 -7.097 11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.937 -5.859 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.902 -4.215 10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.886 -5.470 11.405 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.922 -4.354 7.946 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.708 -3.102 7.215 1.00 0.00 C ATOM 1218 C CYS A 181 -4.085 -1.877 8.068 1.00 0.00 C ATOM 1219 O CYS A 181 -5.148 -1.848 8.694 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.503 -3.127 5.903 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.976 -4.533 4.888 1.00 0.00 S ATOM 0 H CYS A 181 -4.909 -4.549 8.116 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.646 -3.014 6.984 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.570 -3.200 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.350 -2.196 5.357 1.00 0.00 H new ATOM 0 HG CYS A 181 -4.159 -4.254 3.632 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.227 -0.850 8.064 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.362 0.400 8.845 1.00 0.00 C ATOM 1229 C LYS A 182 -2.705 1.566 8.097 1.00 0.00 C ATOM 1230 O LYS A 182 -1.841 1.323 7.257 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.771 0.179 10.256 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.262 -0.133 10.274 1.00 0.00 C ATOM 1233 CD LYS A 182 -0.745 -0.714 11.601 1.00 0.00 C ATOM 1234 CE LYS A 182 -1.315 -2.117 11.856 1.00 0.00 C ATOM 1235 NZ LYS A 182 -0.673 -2.793 13.012 1.00 0.00 N ATOM 0 H LYS A 182 -2.381 -0.861 7.494 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.413 0.664 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.952 1.071 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -3.305 -0.642 10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -1.040 -0.838 9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.712 0.782 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.344 -0.760 11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -1.021 -0.052 12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -2.388 -2.042 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 182 -1.181 -2.727 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -1.082 -3.742 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.350 -2.875 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.837 -2.236 13.875 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.070 2.826 8.362 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.412 3.980 7.706 1.00 0.00 C ATOM 1251 C LYS A 183 -0.921 4.072 8.062 1.00 0.00 C ATOM 1252 O LYS A 183 -0.528 3.858 9.212 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.137 5.308 7.986 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.499 5.393 7.277 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.039 6.833 7.287 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.433 6.887 6.652 1.00 0.00 C ATOM 1257 NZ LYS A 183 -6.957 8.272 6.566 1.00 0.00 N ATOM 0 H LYS A 183 -3.809 3.079 9.018 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.482 3.800 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.282 5.420 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.509 6.137 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.400 5.046 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.211 4.731 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.085 7.204 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -4.359 7.487 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.392 6.453 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.121 6.276 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -7.996 8.248 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -6.654 8.810 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -6.589 8.730 5.708 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.088 4.386 7.071 1.00 0.00 N ATOM 1272 CA ALA A 184 1.352 4.541 7.252 1.00 0.00 C ATOM 1273 C ALA A 184 1.705 5.865 7.958 1.00 0.00 C ATOM 1274 O ALA A 184 1.222 6.933 7.570 1.00 0.00 O ATOM 1275 CB ALA A 184 2.031 4.449 5.881 1.00 0.00 C ATOM 0 H ALA A 184 -0.398 4.541 6.112 1.00 0.00 H new ATOM 0 HA ALA A 184 1.715 3.742 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.108 4.563 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.816 3.479 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.652 5.240 5.233 1.00 0.00 H new