USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 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= 0.66 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.12 K(o=1.8,f=0.82) USER MOD Set 2.1: A 172 HIS : no HD1:sc= 0.641 K(o=0.89,f=-3.2!) USER MOD Set 2.2: A 181 CYS SG : rot -162:sc= 0.254 USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 1.56 (180deg=1.27) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 126 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.18) USER MOD Single : A 127 HIS : no HD1:sc=-0.00186 X(o=-0.0019,f=-0.005) USER MOD Single : A 128 TYR OH : rot 180:sc= 0.0698 USER MOD Single : A 131 GLN : amide:sc= 1.29 K(o=1.3,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 173:sc= 1.97 (180deg=1.71) USER MOD Single : A 139 MET CE :methyl -137:sc= 0 (180deg=-0.117) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 HIS : no HD1:sc= 0.587 K(o=0.59,f=-4.3!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.1 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 1.03 (180deg=1.03) USER MOD Single : A 167 CYS SG : rot 89:sc= 0.0248 USER MOD Single : A 170 HIS : no HD1:sc= 0.942 K(o=0.94,f=-3.1!) USER MOD Single : A 176 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MET CE :methyl -166:sc= 0 (180deg=-0.342) USER MOD Single : A 182 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.19) USER MOD Single : A 183 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -0.896 9.029 2.059 1.00 0.00 N ATOM 56 CA LYS A 109 -1.795 8.363 1.087 1.00 0.00 C ATOM 57 C LYS A 109 -1.325 6.928 0.750 1.00 0.00 C ATOM 58 O LYS A 109 -1.217 6.523 -0.410 1.00 0.00 O ATOM 59 CB LYS A 109 -1.944 9.277 -0.147 1.00 0.00 C ATOM 60 CG LYS A 109 -3.231 8.989 -0.943 1.00 0.00 C ATOM 61 CD LYS A 109 -2.992 8.646 -2.416 1.00 0.00 C ATOM 62 CE LYS A 109 -2.401 9.815 -3.215 1.00 0.00 C ATOM 63 NZ LYS A 109 -2.330 9.489 -4.663 1.00 0.00 N ATOM 0 HA LYS A 109 -2.783 8.224 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.945 10.319 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.080 9.145 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.761 8.162 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.884 9.860 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.318 7.792 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.935 8.342 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.012 10.706 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.404 10.048 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.681 10.149 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.983 8.516 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.277 9.573 -5.085 1.00 0.00 H new ATOM 77 N LYS A 110 -0.987 6.175 1.799 1.00 0.00 N ATOM 78 CA LYS A 110 -0.296 4.879 1.795 1.00 0.00 C ATOM 79 C LYS A 110 -0.731 4.055 3.012 1.00 0.00 C ATOM 80 O LYS A 110 -0.998 4.626 4.071 1.00 0.00 O ATOM 81 CB LYS A 110 1.219 5.181 1.801 1.00 0.00 C ATOM 82 CG LYS A 110 2.145 3.967 1.646 1.00 0.00 C ATOM 83 CD LYS A 110 3.624 4.367 1.514 1.00 0.00 C ATOM 84 CE LYS A 110 4.193 4.902 2.833 1.00 0.00 C ATOM 85 NZ LYS A 110 5.649 5.180 2.738 1.00 0.00 N ATOM 0 H LYS A 110 -1.205 6.477 2.748 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.545 4.285 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.433 5.882 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.466 5.685 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.025 3.310 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.846 3.396 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.206 3.504 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.726 5.127 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.667 5.815 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.013 4.176 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.994 5.540 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.155 4.304 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.819 5.891 1.999 1.00 0.00 H new ATOM 99 N ILE A 111 -0.781 2.730 2.886 1.00 0.00 N ATOM 100 CA ILE A 111 -1.043 1.809 4.007 1.00 0.00 C ATOM 101 C ILE A 111 0.217 1.033 4.395 1.00 0.00 C ATOM 102 O ILE A 111 1.088 0.765 3.569 1.00 0.00 O ATOM 103 CB ILE A 111 -2.199 0.815 3.714 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.768 -0.299 2.736 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.465 1.563 3.276 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.884 -1.228 2.253 1.00 0.00 C ATOM 0 H ILE A 111 -0.640 2.254 1.995 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.351 2.437 4.843 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.451 0.300 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.306 0.166 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.001 -0.904 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.261 0.845 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.779 2.242 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.256 2.134 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.469 -1.971 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.334 -1.731 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.644 -0.644 1.734 1.00 0.00 H new ATOM 118 N PHE A 112 0.264 0.653 5.666 1.00 0.00 N ATOM 119 CA PHE A 112 1.152 -0.341 6.258 1.00 0.00 C ATOM 120 C PHE A 112 0.438 -1.686 6.029 1.00 0.00 C ATOM 121 O PHE A 112 -0.788 -1.761 6.150 1.00 0.00 O ATOM 122 CB PHE A 112 1.191 -0.078 7.771 1.00 0.00 C ATOM 123 CG PHE A 112 2.257 -0.855 8.512 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.988 -2.135 9.036 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.525 -0.284 8.693 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.987 -2.826 9.748 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.524 -0.972 9.396 1.00 0.00 C ATOM 128 CZ PHE A 112 4.252 -2.241 9.935 1.00 0.00 C ATOM 0 H PHE A 112 -0.362 1.061 6.360 1.00 0.00 H new ATOM 0 HA PHE A 112 2.160 -0.321 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.352 0.987 7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.218 -0.324 8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.017 -2.585 8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.734 0.695 8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.781 -3.807 10.151 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.500 -0.528 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.014 -2.766 10.492 1.00 0.00 H new ATOM 138 N VAL A 113 1.191 -2.758 5.777 1.00 0.00 N ATOM 139 CA VAL A 113 0.706 -4.146 5.715 1.00 0.00 C ATOM 140 C VAL A 113 1.626 -5.050 6.529 1.00 0.00 C ATOM 141 O VAL A 113 2.771 -5.259 6.134 1.00 0.00 O ATOM 142 CB VAL A 113 0.574 -4.656 4.265 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.092 -6.036 4.234 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.233 -3.697 3.387 1.00 0.00 C ATOM 0 H VAL A 113 2.193 -2.685 5.603 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.295 -4.170 6.145 1.00 0.00 H new ATOM 0 HB VAL A 113 1.586 -4.722 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.175 -6.377 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.511 -6.744 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.086 -5.970 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.299 -4.098 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.236 -3.583 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.260 -2.725 3.361 1.00 0.00 H new ATOM 154 N GLY A 114 1.151 -5.568 7.664 1.00 0.00 N ATOM 155 CA GLY A 114 1.937 -6.390 8.595 1.00 0.00 C ATOM 156 C GLY A 114 1.420 -7.822 8.746 1.00 0.00 C ATOM 157 O GLY A 114 0.222 -8.073 8.615 1.00 0.00 O ATOM 0 H GLY A 114 0.189 -5.426 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.971 -6.422 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.940 -5.910 9.574 1.00 0.00 H new ATOM 161 N GLY A 115 2.319 -8.763 9.045 1.00 0.00 N ATOM 162 CA GLY A 115 2.006 -10.192 9.190 1.00 0.00 C ATOM 163 C GLY A 115 2.159 -11.012 7.900 1.00 0.00 C ATOM 164 O GLY A 115 1.629 -12.121 7.811 1.00 0.00 O ATOM 0 H GLY A 115 3.305 -8.552 9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.656 -10.617 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.982 -10.292 9.550 1.00 0.00 H new ATOM 168 N LEU A 116 2.841 -10.470 6.884 1.00 0.00 N ATOM 169 CA LEU A 116 3.029 -11.103 5.573 1.00 0.00 C ATOM 170 C LEU A 116 3.842 -12.403 5.682 1.00 0.00 C ATOM 171 O LEU A 116 4.895 -12.442 6.325 1.00 0.00 O ATOM 172 CB LEU A 116 3.728 -10.109 4.623 1.00 0.00 C ATOM 173 CG LEU A 116 2.794 -9.007 4.092 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.612 -7.818 3.597 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.969 -9.507 2.905 1.00 0.00 C ATOM 0 H LEU A 116 3.289 -9.556 6.952 1.00 0.00 H new ATOM 0 HA LEU A 116 2.050 -11.367 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.564 -9.645 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.146 -10.658 3.779 1.00 0.00 H new ATOM 0 HG LEU A 116 2.138 -8.720 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.941 -7.045 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.206 -7.417 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.275 -8.141 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.319 -8.707 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.638 -9.814 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.362 -10.357 3.216 1.00 0.00 H new ATOM 187 N SER A 117 3.380 -13.456 4.999 1.00 0.00 N ATOM 188 CA SER A 117 4.123 -14.717 4.860 1.00 0.00 C ATOM 189 C SER A 117 5.452 -14.518 4.118 1.00 0.00 C ATOM 190 O SER A 117 5.556 -13.692 3.206 1.00 0.00 O ATOM 191 CB SER A 117 3.267 -15.777 4.154 1.00 0.00 C ATOM 192 OG SER A 117 4.017 -16.960 3.920 1.00 0.00 O ATOM 0 H SER A 117 2.477 -13.459 4.525 1.00 0.00 H new ATOM 0 HA SER A 117 4.357 -15.068 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.394 -16.010 4.763 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.899 -15.382 3.207 1.00 0.00 H new ATOM 0 HG SER A 117 3.451 -17.622 3.471 1.00 0.00 H new ATOM 198 N VAL A 118 6.457 -15.327 4.462 1.00 0.00 N ATOM 199 CA VAL A 118 7.744 -15.410 3.748 1.00 0.00 C ATOM 200 C VAL A 118 7.610 -15.796 2.267 1.00 0.00 C ATOM 201 O VAL A 118 8.446 -15.427 1.440 1.00 0.00 O ATOM 202 CB VAL A 118 8.749 -16.338 4.474 1.00 0.00 C ATOM 203 CG1 VAL A 118 10.196 -15.979 4.121 1.00 0.00 C ATOM 204 CG2 VAL A 118 8.620 -16.312 6.006 1.00 0.00 C ATOM 0 H VAL A 118 6.403 -15.958 5.261 1.00 0.00 H new ATOM 0 HA VAL A 118 8.142 -14.395 3.762 1.00 0.00 H new ATOM 0 HB VAL A 118 8.500 -17.340 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.876 -16.649 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 118 10.345 -16.082 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.398 -14.950 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 118 9.356 -16.986 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.794 -15.299 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 118 7.618 -16.632 6.292 1.00 0.00 H new ATOM 214 N ASN A 119 6.530 -16.503 1.914 1.00 0.00 N ATOM 215 CA ASN A 119 6.201 -16.874 0.535 1.00 0.00 C ATOM 216 C ASN A 119 5.671 -15.677 -0.289 1.00 0.00 C ATOM 217 O ASN A 119 5.827 -15.644 -1.511 1.00 0.00 O ATOM 218 CB ASN A 119 5.166 -18.010 0.607 1.00 0.00 C ATOM 219 CG ASN A 119 4.870 -18.629 -0.752 1.00 0.00 C ATOM 220 OD1 ASN A 119 5.756 -18.931 -1.540 1.00 0.00 O ATOM 221 ND2 ASN A 119 3.617 -18.898 -1.050 1.00 0.00 N ATOM 0 H ASN A 119 5.848 -16.839 2.593 1.00 0.00 H new ATOM 0 HA ASN A 119 7.102 -17.203 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.531 -18.785 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.240 -17.625 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.390 -19.355 -1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 119 2.873 -18.649 -0.398 1.00 0.00 H new ATOM 228 N THR A 120 5.048 -14.695 0.368 1.00 0.00 N ATOM 229 CA THR A 120 4.455 -13.503 -0.258 1.00 0.00 C ATOM 230 C THR A 120 5.458 -12.477 -0.769 1.00 0.00 C ATOM 231 O THR A 120 6.323 -12.018 -0.023 1.00 0.00 O ATOM 232 CB THR A 120 3.402 -12.847 0.647 1.00 0.00 C ATOM 233 OG1 THR A 120 2.580 -13.845 1.218 1.00 0.00 O ATOM 234 CG2 THR A 120 2.494 -11.862 -0.080 1.00 0.00 C ATOM 0 H THR A 120 4.937 -14.705 1.382 1.00 0.00 H new ATOM 0 HA THR A 120 3.961 -13.885 -1.151 1.00 0.00 H new ATOM 0 HB THR A 120 3.961 -12.293 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.910 -13.425 1.796 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.777 -11.440 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.096 -11.061 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.959 -12.380 -0.876 1.00 0.00 H new ATOM 242 N THR A 121 5.312 -12.097 -2.040 1.00 0.00 N ATOM 243 CA THR A 121 6.111 -11.065 -2.721 1.00 0.00 C ATOM 244 C THR A 121 5.517 -9.658 -2.730 1.00 0.00 C ATOM 245 O THR A 121 4.326 -9.460 -2.479 1.00 0.00 O ATOM 246 CB THR A 121 6.573 -11.489 -4.128 1.00 0.00 C ATOM 247 OG1 THR A 121 5.618 -11.102 -5.093 1.00 0.00 O ATOM 248 CG2 THR A 121 6.816 -12.986 -4.288 1.00 0.00 C ATOM 0 H THR A 121 4.608 -12.513 -2.650 1.00 0.00 H new ATOM 0 HA THR A 121 6.992 -10.988 -2.084 1.00 0.00 H new ATOM 0 HB THR A 121 7.528 -10.984 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 121 5.923 -11.375 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.138 -13.195 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 121 7.590 -13.306 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.894 -13.529 -4.080 1.00 0.00 H new ATOM 256 N VAL A 122 6.339 -8.663 -3.073 1.00 0.00 N ATOM 257 CA VAL A 122 5.856 -7.300 -3.347 1.00 0.00 C ATOM 258 C VAL A 122 4.844 -7.233 -4.497 1.00 0.00 C ATOM 259 O VAL A 122 3.887 -6.464 -4.437 1.00 0.00 O ATOM 260 CB VAL A 122 7.037 -6.330 -3.536 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.731 -6.447 -4.898 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.566 -4.888 -3.357 1.00 0.00 C ATOM 0 H VAL A 122 7.348 -8.773 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 122 5.299 -6.977 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 122 7.767 -6.609 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.551 -5.731 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.123 -7.457 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.014 -6.237 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.409 -4.210 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.796 -4.662 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.156 -4.761 -2.355 1.00 0.00 H new ATOM 272 N GLU A 123 5.005 -8.080 -5.517 1.00 0.00 N ATOM 273 CA GLU A 123 4.071 -8.173 -6.645 1.00 0.00 C ATOM 274 C GLU A 123 2.764 -8.873 -6.249 1.00 0.00 C ATOM 275 O GLU A 123 1.695 -8.424 -6.661 1.00 0.00 O ATOM 276 CB GLU A 123 4.725 -8.883 -7.841 1.00 0.00 C ATOM 277 CG GLU A 123 5.943 -8.115 -8.383 1.00 0.00 C ATOM 278 CD GLU A 123 6.516 -8.697 -9.695 1.00 0.00 C ATOM 279 OE1 GLU A 123 7.431 -8.062 -10.275 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.080 -9.777 -10.164 1.00 0.00 O ATOM 0 H GLU A 123 5.792 -8.725 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 123 3.820 -7.154 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 123 5.034 -9.884 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.990 -9.001 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.660 -7.076 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.726 -8.113 -7.625 1.00 0.00 H new ATOM 287 N ASP A 124 2.816 -9.906 -5.394 1.00 0.00 N ATOM 288 CA ASP A 124 1.612 -10.497 -4.789 1.00 0.00 C ATOM 289 C ASP A 124 0.735 -9.460 -4.076 1.00 0.00 C ATOM 290 O ASP A 124 -0.479 -9.411 -4.278 1.00 0.00 O ATOM 291 CB ASP A 124 1.949 -11.617 -3.791 1.00 0.00 C ATOM 292 CG ASP A 124 2.508 -12.924 -4.366 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.998 -13.729 -3.538 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.417 -13.177 -5.591 1.00 0.00 O ATOM 0 H ASP A 124 3.686 -10.352 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 124 1.056 -10.914 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.673 -11.226 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.044 -11.854 -3.231 1.00 0.00 H new ATOM 299 N VAL A 125 1.368 -8.597 -3.276 1.00 0.00 N ATOM 300 CA VAL A 125 0.711 -7.519 -2.525 1.00 0.00 C ATOM 301 C VAL A 125 0.169 -6.463 -3.498 1.00 0.00 C ATOM 302 O VAL A 125 -1.006 -6.100 -3.415 1.00 0.00 O ATOM 303 CB VAL A 125 1.728 -6.931 -1.525 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.280 -5.623 -0.876 1.00 0.00 C ATOM 305 CG2 VAL A 125 1.983 -7.948 -0.404 1.00 0.00 C ATOM 0 H VAL A 125 2.377 -8.628 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.142 -7.899 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 125 2.626 -6.717 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.050 -5.276 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 125 1.118 -4.871 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.352 -5.787 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.701 -7.536 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.047 -8.163 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.382 -8.868 -0.831 1.00 0.00 H new ATOM 315 N LYS A 126 0.982 -6.003 -4.460 1.00 0.00 N ATOM 316 CA LYS A 126 0.603 -4.963 -5.432 1.00 0.00 C ATOM 317 C LYS A 126 -0.583 -5.378 -6.311 1.00 0.00 C ATOM 318 O LYS A 126 -1.510 -4.589 -6.499 1.00 0.00 O ATOM 319 CB LYS A 126 1.847 -4.602 -6.262 1.00 0.00 C ATOM 320 CG LYS A 126 1.661 -3.377 -7.170 1.00 0.00 C ATOM 321 CD LYS A 126 3.022 -2.902 -7.705 1.00 0.00 C ATOM 322 CE LYS A 126 2.860 -1.704 -8.648 1.00 0.00 C ATOM 323 NZ LYS A 126 4.180 -1.158 -9.063 1.00 0.00 N ATOM 0 H LYS A 126 1.934 -6.346 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 126 0.255 -4.081 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.681 -4.416 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.121 -5.459 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.003 -3.628 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.180 -2.573 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.668 -2.627 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.514 -3.719 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 126 2.296 -2.007 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.282 -0.924 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.041 -0.428 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.657 -0.740 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.767 -1.925 -9.450 1.00 0.00 H new ATOM 337 N HIS A 127 -0.596 -6.623 -6.796 1.00 0.00 N ATOM 338 CA HIS A 127 -1.721 -7.186 -7.556 1.00 0.00 C ATOM 339 C HIS A 127 -2.950 -7.507 -6.694 1.00 0.00 C ATOM 340 O HIS A 127 -4.072 -7.430 -7.195 1.00 0.00 O ATOM 341 CB HIS A 127 -1.266 -8.415 -8.351 1.00 0.00 C ATOM 342 CG HIS A 127 -0.389 -8.054 -9.526 1.00 0.00 C ATOM 343 ND1 HIS A 127 -0.795 -7.321 -10.647 1.00 0.00 N ATOM 344 CD2 HIS A 127 0.868 -8.531 -9.751 1.00 0.00 C ATOM 345 CE1 HIS A 127 0.247 -7.334 -11.497 1.00 0.00 C ATOM 346 NE2 HIS A 127 1.260 -8.052 -10.982 1.00 0.00 N ATOM 0 H HIS A 127 0.179 -7.275 -6.673 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.045 -6.409 -8.249 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.722 -9.090 -7.690 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.142 -8.956 -8.709 1.00 0.00 H new ATOM 0 HD2 HIS A 127 1.445 -9.162 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 127 0.267 -6.838 -12.456 1.00 0.00 H new ATOM 0 HE2 HIS A 127 2.164 -8.214 -11.426 1.00 0.00 H new ATOM 354 N TYR A 128 -2.775 -7.828 -5.405 1.00 0.00 N ATOM 355 CA TYR A 128 -3.893 -8.055 -4.486 1.00 0.00 C ATOM 356 C TYR A 128 -4.698 -6.795 -4.141 1.00 0.00 C ATOM 357 O TYR A 128 -5.922 -6.779 -4.289 1.00 0.00 O ATOM 358 CB TYR A 128 -3.450 -8.849 -3.247 1.00 0.00 C ATOM 359 CG TYR A 128 -4.514 -9.013 -2.174 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.673 -8.055 -1.153 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.343 -10.152 -2.200 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.653 -8.239 -0.157 1.00 0.00 C ATOM 363 CE2 TYR A 128 -6.323 -10.339 -1.206 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.474 -9.388 -0.173 1.00 0.00 C ATOM 365 OH TYR A 128 -7.410 -9.579 0.799 1.00 0.00 O ATOM 0 H TYR A 128 -1.857 -7.937 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.604 -8.675 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.122 -9.838 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.585 -8.353 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.043 -7.178 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.226 -10.884 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.776 -7.500 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -6.960 -11.211 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.886 -10.420 0.634 1.00 0.00 H new ATOM 375 N PHE A 129 -4.020 -5.714 -3.732 1.00 0.00 N ATOM 376 CA PHE A 129 -4.681 -4.460 -3.342 1.00 0.00 C ATOM 377 C PHE A 129 -5.429 -3.684 -4.440 1.00 0.00 C ATOM 378 O PHE A 129 -6.368 -2.939 -4.157 1.00 0.00 O ATOM 379 CB PHE A 129 -3.780 -3.603 -2.440 1.00 0.00 C ATOM 380 CG PHE A 129 -3.650 -4.179 -1.041 1.00 0.00 C ATOM 381 CD1 PHE A 129 -2.483 -4.870 -0.666 1.00 0.00 C ATOM 382 CD2 PHE A 129 -4.731 -4.111 -0.140 1.00 0.00 C ATOM 383 CE1 PHE A 129 -2.412 -5.526 0.575 1.00 0.00 C ATOM 384 CE2 PHE A 129 -4.663 -4.772 1.099 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.510 -5.495 1.448 1.00 0.00 C ATOM 0 H PHE A 129 -3.003 -5.683 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.529 -4.783 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.791 -3.522 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.186 -2.593 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.636 -4.896 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.615 -3.549 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.513 -6.054 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.498 -4.724 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.469 -6.026 2.387 1.00 0.00 H new ATOM 395 N GLU A 130 -5.091 -3.954 -5.704 1.00 0.00 N ATOM 396 CA GLU A 130 -5.812 -3.480 -6.897 1.00 0.00 C ATOM 397 C GLU A 130 -7.307 -3.859 -6.950 1.00 0.00 C ATOM 398 O GLU A 130 -8.072 -3.222 -7.677 1.00 0.00 O ATOM 399 CB GLU A 130 -5.082 -3.985 -8.158 1.00 0.00 C ATOM 400 CG GLU A 130 -3.914 -3.072 -8.568 1.00 0.00 C ATOM 401 CD GLU A 130 -4.330 -1.820 -9.371 1.00 0.00 C ATOM 402 OE1 GLU A 130 -3.486 -0.906 -9.532 1.00 0.00 O ATOM 403 OE2 GLU A 130 -5.480 -1.728 -9.858 1.00 0.00 O ATOM 0 H GLU A 130 -4.281 -4.528 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.805 -2.391 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.706 -4.992 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.792 -4.053 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.386 -2.753 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.208 -3.652 -9.163 1.00 0.00 H new ATOM 410 N GLN A 131 -7.763 -4.851 -6.168 1.00 0.00 N ATOM 411 CA GLN A 131 -9.185 -5.227 -6.103 1.00 0.00 C ATOM 412 C GLN A 131 -10.071 -4.116 -5.500 1.00 0.00 C ATOM 413 O GLN A 131 -11.251 -4.016 -5.842 1.00 0.00 O ATOM 414 CB GLN A 131 -9.337 -6.545 -5.321 1.00 0.00 C ATOM 415 CG GLN A 131 -9.192 -6.401 -3.798 1.00 0.00 C ATOM 416 CD GLN A 131 -9.108 -7.752 -3.096 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.094 -8.331 -2.657 1.00 0.00 O ATOM 418 NE2 GLN A 131 -7.962 -8.390 -3.139 1.00 0.00 N ATOM 0 H GLN A 131 -7.160 -5.412 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.536 -5.370 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.315 -6.973 -5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.590 -7.254 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.297 -5.821 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -10.041 -5.842 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.131 -7.922 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.902 -9.354 -2.810 1.00 0.00 H new ATOM 427 N PHE A 132 -9.520 -3.284 -4.604 1.00 0.00 N ATOM 428 CA PHE A 132 -10.257 -2.218 -3.910 1.00 0.00 C ATOM 429 C PHE A 132 -10.281 -0.905 -4.703 1.00 0.00 C ATOM 430 O PHE A 132 -11.273 -0.174 -4.668 1.00 0.00 O ATOM 431 CB PHE A 132 -9.620 -1.994 -2.532 1.00 0.00 C ATOM 432 CG PHE A 132 -9.588 -3.255 -1.692 1.00 0.00 C ATOM 433 CD1 PHE A 132 -10.786 -3.825 -1.224 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.363 -3.900 -1.438 1.00 0.00 C ATOM 435 CE1 PHE A 132 -10.756 -5.037 -0.513 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.331 -5.095 -0.702 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.530 -5.670 -0.246 1.00 0.00 C ATOM 0 H PHE A 132 -8.537 -3.333 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.294 -2.537 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.603 -1.623 -2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.176 -1.222 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.728 -3.331 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.444 -3.474 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.678 -5.483 -0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.386 -5.572 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.509 -6.597 0.309 1.00 0.00 H new ATOM 447 N GLY A 133 -9.191 -0.627 -5.416 1.00 0.00 N ATOM 448 CA GLY A 133 -8.952 0.562 -6.230 1.00 0.00 C ATOM 449 C GLY A 133 -7.490 0.617 -6.687 1.00 0.00 C ATOM 450 O GLY A 133 -6.666 -0.193 -6.254 1.00 0.00 O ATOM 0 H GLY A 133 -8.399 -1.270 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.610 0.553 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.193 1.457 -5.656 1.00 0.00 H new ATOM 454 N LYS A 134 -7.158 1.554 -7.581 1.00 0.00 N ATOM 455 CA LYS A 134 -5.862 1.577 -8.271 1.00 0.00 C ATOM 456 C LYS A 134 -4.697 1.858 -7.312 1.00 0.00 C ATOM 457 O LYS A 134 -4.749 2.765 -6.476 1.00 0.00 O ATOM 458 CB LYS A 134 -5.940 2.519 -9.487 1.00 0.00 C ATOM 459 CG LYS A 134 -4.913 2.179 -10.580 1.00 0.00 C ATOM 460 CD LYS A 134 -3.560 2.894 -10.457 1.00 0.00 C ATOM 461 CE LYS A 134 -2.548 2.292 -11.444 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.054 0.963 -10.999 1.00 0.00 N ATOM 0 H LYS A 134 -7.779 2.318 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.640 0.583 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.943 2.472 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -5.782 3.545 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.739 1.103 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -5.346 2.422 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.684 3.958 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.184 2.802 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.013 2.195 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -1.704 2.972 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.468 0.542 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.485 1.075 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.863 0.340 -10.802 1.00 0.00 H new ATOM 476 N VAL A 135 -3.645 1.057 -7.449 1.00 0.00 N ATOM 477 CA VAL A 135 -2.431 1.060 -6.612 1.00 0.00 C ATOM 478 C VAL A 135 -1.321 1.822 -7.335 1.00 0.00 C ATOM 479 O VAL A 135 -0.999 1.514 -8.483 1.00 0.00 O ATOM 480 CB VAL A 135 -1.994 -0.389 -6.308 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.651 -0.469 -5.574 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.049 -1.106 -5.456 1.00 0.00 C ATOM 0 H VAL A 135 -3.606 0.349 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.640 1.556 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.884 -0.874 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.399 -1.513 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.126 -0.011 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.723 0.060 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.721 -2.126 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.180 -0.573 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.997 -1.130 -5.994 1.00 0.00 H new ATOM 492 N ASP A 136 -0.717 2.806 -6.677 1.00 0.00 N ATOM 493 CA ASP A 136 0.434 3.541 -7.211 1.00 0.00 C ATOM 494 C ASP A 136 1.731 2.713 -7.232 1.00 0.00 C ATOM 495 O ASP A 136 2.356 2.548 -8.283 1.00 0.00 O ATOM 496 CB ASP A 136 0.582 4.895 -6.498 1.00 0.00 C ATOM 497 CG ASP A 136 1.902 5.615 -6.826 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.215 5.794 -8.027 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.608 6.040 -5.883 1.00 0.00 O ATOM 0 H ASP A 136 -1.011 3.121 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 136 0.235 3.746 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.253 5.538 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.519 4.739 -5.421 1.00 0.00 H new ATOM 504 N ASP A 137 2.104 2.124 -6.087 1.00 0.00 N ATOM 505 CA ASP A 137 3.245 1.203 -5.978 1.00 0.00 C ATOM 506 C ASP A 137 3.162 0.412 -4.651 1.00 0.00 C ATOM 507 O ASP A 137 2.328 0.694 -3.788 1.00 0.00 O ATOM 508 CB ASP A 137 4.559 2.015 -5.991 1.00 0.00 C ATOM 509 CG ASP A 137 5.762 1.192 -6.492 1.00 0.00 C ATOM 510 OD1 ASP A 137 5.566 0.035 -6.943 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.900 1.714 -6.452 1.00 0.00 O ATOM 0 H ASP A 137 1.618 2.275 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 137 3.222 0.509 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.433 2.891 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.767 2.379 -4.985 1.00 0.00 H new ATOM 516 N ALA A 138 4.064 -0.557 -4.469 1.00 0.00 N ATOM 517 CA ALA A 138 4.248 -1.318 -3.230 1.00 0.00 C ATOM 518 C ALA A 138 5.741 -1.535 -2.904 1.00 0.00 C ATOM 519 O ALA A 138 6.594 -1.503 -3.795 1.00 0.00 O ATOM 520 CB ALA A 138 3.495 -2.651 -3.345 1.00 0.00 C ATOM 0 H ALA A 138 4.709 -0.843 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 138 3.837 -0.744 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.627 -3.224 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.434 -2.457 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.889 -3.220 -4.187 1.00 0.00 H new ATOM 526 N MET A 139 6.055 -1.782 -1.628 1.00 0.00 N ATOM 527 CA MET A 139 7.406 -2.101 -1.137 1.00 0.00 C ATOM 528 C MET A 139 7.343 -2.998 0.106 1.00 0.00 C ATOM 529 O MET A 139 6.583 -2.709 1.027 1.00 0.00 O ATOM 530 CB MET A 139 8.207 -0.811 -0.861 1.00 0.00 C ATOM 531 CG MET A 139 7.539 0.160 0.128 1.00 0.00 C ATOM 532 SD MET A 139 8.490 1.657 0.519 1.00 0.00 S ATOM 533 CE MET A 139 9.789 0.949 1.571 1.00 0.00 C ATOM 0 H MET A 139 5.358 -1.766 -0.884 1.00 0.00 H new ATOM 0 HA MET A 139 7.928 -2.657 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.189 -1.085 -0.474 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.370 -0.292 -1.805 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.574 0.460 -0.281 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.339 -0.375 1.056 1.00 0.00 H new ATOM 0 HE1 MET A 139 9.952 1.596 2.433 1.00 0.00 H new ATOM 0 HE2 MET A 139 9.482 -0.040 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 139 10.714 0.865 1.000 1.00 0.00 H new ATOM 543 N LEU A 140 8.139 -4.070 0.166 1.00 0.00 N ATOM 544 CA LEU A 140 8.325 -4.877 1.385 1.00 0.00 C ATOM 545 C LEU A 140 9.692 -4.593 2.017 1.00 0.00 C ATOM 546 O LEU A 140 10.647 -4.250 1.314 1.00 0.00 O ATOM 547 CB LEU A 140 8.117 -6.382 1.126 1.00 0.00 C ATOM 548 CG LEU A 140 6.820 -6.767 0.390 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.662 -8.287 0.395 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.567 -6.169 1.023 1.00 0.00 C ATOM 0 H LEU A 140 8.677 -4.408 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 140 7.555 -4.580 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.963 -6.751 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.136 -6.901 2.084 1.00 0.00 H new ATOM 0 HG LEU A 140 6.913 -6.369 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.744 -8.559 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.514 -8.743 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.615 -8.645 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.689 -6.479 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.477 -6.518 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.639 -5.081 1.014 1.00 0.00 H new ATOM 562 N MET A 141 9.794 -4.730 3.340 1.00 0.00 N ATOM 563 CA MET A 141 11.000 -4.350 4.088 1.00 0.00 C ATOM 564 C MET A 141 12.093 -5.431 4.003 1.00 0.00 C ATOM 565 O MET A 141 12.332 -6.172 4.957 1.00 0.00 O ATOM 566 CB MET A 141 10.638 -3.974 5.536 1.00 0.00 C ATOM 567 CG MET A 141 9.532 -2.913 5.671 1.00 0.00 C ATOM 568 SD MET A 141 9.482 -1.541 4.482 1.00 0.00 S ATOM 569 CE MET A 141 11.041 -0.720 4.891 1.00 0.00 C ATOM 0 H MET A 141 9.047 -5.106 3.924 1.00 0.00 H new ATOM 0 HA MET A 141 11.429 -3.463 3.622 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.323 -4.875 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.535 -3.609 6.037 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.573 -3.428 5.620 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.609 -2.482 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 141 11.172 0.152 4.250 1.00 0.00 H new ATOM 0 HE2 MET A 141 11.023 -0.404 5.934 1.00 0.00 H new ATOM 0 HE3 MET A 141 11.868 -1.412 4.735 1.00 0.00 H new ATOM 699 N HIS A 149 12.064 -10.498 3.516 1.00 0.00 N ATOM 700 CA HIS A 149 11.473 -9.297 4.131 1.00 0.00 C ATOM 701 C HIS A 149 11.136 -9.486 5.617 1.00 0.00 C ATOM 702 O HIS A 149 10.924 -10.601 6.094 1.00 0.00 O ATOM 703 CB HIS A 149 10.266 -8.818 3.312 1.00 0.00 C ATOM 704 CG HIS A 149 9.136 -9.813 3.231 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.220 -10.088 4.251 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.764 -10.489 2.108 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.333 -10.949 3.721 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.636 -11.206 2.438 1.00 0.00 N ATOM 0 HA HIS A 149 12.230 -8.513 4.110 1.00 0.00 H new ATOM 0 HB2 HIS A 149 9.889 -7.893 3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.599 -8.581 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.257 -10.467 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.495 -11.374 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.119 -11.826 1.815 1.00 0.00 H new ATOM 716 N ARG A 150 11.064 -8.369 6.351 1.00 0.00 N ATOM 717 CA ARG A 150 10.819 -8.262 7.805 1.00 0.00 C ATOM 718 C ARG A 150 9.354 -8.573 8.208 1.00 0.00 C ATOM 719 O ARG A 150 8.887 -8.131 9.253 1.00 0.00 O ATOM 720 CB ARG A 150 11.307 -6.853 8.237 1.00 0.00 C ATOM 721 CG ARG A 150 12.011 -6.728 9.601 1.00 0.00 C ATOM 722 CD ARG A 150 11.079 -7.002 10.779 1.00 0.00 C ATOM 723 NE ARG A 150 11.509 -6.358 12.035 1.00 0.00 N ATOM 724 CZ ARG A 150 10.668 -5.993 12.985 1.00 0.00 C ATOM 725 NH1 ARG A 150 9.436 -6.400 12.995 1.00 0.00 N ATOM 726 NH2 ARG A 150 10.996 -5.190 13.950 1.00 0.00 N ATOM 0 H ARG A 150 11.182 -7.451 5.922 1.00 0.00 H new ATOM 0 HA ARG A 150 11.379 -9.027 8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 150 11.990 -6.485 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.445 -6.186 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.848 -7.425 9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.427 -5.725 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 150 10.077 -6.655 10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 150 11.013 -8.079 10.937 1.00 0.00 H new ATOM 0 HE ARG A 150 12.505 -6.186 12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 150 9.097 -7.017 12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 150 8.807 -6.103 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.941 -4.810 13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 150 10.308 -4.939 14.660 1.00 0.00 H new ATOM 740 N GLY A 151 8.587 -9.291 7.384 1.00 0.00 N ATOM 741 CA GLY A 151 7.189 -9.650 7.664 1.00 0.00 C ATOM 742 C GLY A 151 6.178 -8.500 7.533 1.00 0.00 C ATOM 743 O GLY A 151 4.997 -8.690 7.833 1.00 0.00 O ATOM 0 H GLY A 151 8.922 -9.646 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.894 -10.451 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.130 -10.051 8.676 1.00 0.00 H new ATOM 747 N PHE A 152 6.599 -7.319 7.063 1.00 0.00 N ATOM 748 CA PHE A 152 5.700 -6.192 6.794 1.00 0.00 C ATOM 749 C PHE A 152 6.216 -5.377 5.591 1.00 0.00 C ATOM 750 O PHE A 152 7.350 -5.543 5.125 1.00 0.00 O ATOM 751 CB PHE A 152 5.560 -5.308 8.052 1.00 0.00 C ATOM 752 CG PHE A 152 6.738 -4.423 8.430 1.00 0.00 C ATOM 753 CD1 PHE A 152 6.762 -3.074 8.022 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.758 -4.910 9.268 1.00 0.00 C ATOM 755 CE1 PHE A 152 7.786 -2.217 8.463 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.797 -4.058 9.687 1.00 0.00 C ATOM 757 CZ PHE A 152 8.810 -2.712 9.288 1.00 0.00 C ATOM 0 H PHE A 152 7.578 -7.118 6.858 1.00 0.00 H new ATOM 0 HA PHE A 152 4.711 -6.576 6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.689 -4.667 7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.346 -5.961 8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 152 5.990 -2.697 7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.744 -5.941 9.591 1.00 0.00 H new ATOM 0 HE1 PHE A 152 7.785 -1.178 8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.586 -4.441 10.317 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.605 -2.058 9.615 1.00 0.00 H new ATOM 767 N GLY A 153 5.356 -4.491 5.086 1.00 0.00 N ATOM 768 CA GLY A 153 5.650 -3.553 4.006 1.00 0.00 C ATOM 769 C GLY A 153 4.608 -2.440 3.892 1.00 0.00 C ATOM 770 O GLY A 153 3.793 -2.236 4.793 1.00 0.00 O ATOM 0 H GLY A 153 4.400 -4.405 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.632 -3.110 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.701 -4.096 3.062 1.00 0.00 H new ATOM 774 N PHE A 154 4.632 -1.732 2.764 1.00 0.00 N ATOM 775 CA PHE A 154 3.753 -0.615 2.428 1.00 0.00 C ATOM 776 C PHE A 154 3.113 -0.692 1.035 1.00 0.00 C ATOM 777 O PHE A 154 3.712 -1.241 0.106 1.00 0.00 O ATOM 778 CB PHE A 154 4.495 0.716 2.607 1.00 0.00 C ATOM 779 CG PHE A 154 4.907 1.026 4.029 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.086 1.808 4.862 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.121 0.514 4.523 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.484 2.085 6.180 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.499 0.758 5.850 1.00 0.00 C ATOM 784 CZ PHE A 154 5.687 1.552 6.678 1.00 0.00 C ATOM 0 H PHE A 154 5.301 -1.934 2.021 1.00 0.00 H new ATOM 0 HA PHE A 154 2.919 -0.681 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.386 0.706 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 154 3.858 1.523 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.150 2.195 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.763 -0.068 3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.867 2.707 6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.415 0.336 6.237 1.00 0.00 H new ATOM 0 HZ PHE A 154 5.986 1.753 7.696 1.00 0.00 H new ATOM 794 N VAL A 155 1.932 -0.085 0.872 1.00 0.00 N ATOM 795 CA VAL A 155 1.225 0.064 -0.416 1.00 0.00 C ATOM 796 C VAL A 155 0.686 1.479 -0.614 1.00 0.00 C ATOM 797 O VAL A 155 -0.119 1.956 0.187 1.00 0.00 O ATOM 798 CB VAL A 155 0.117 -0.991 -0.630 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.357 -1.015 -2.086 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.555 -2.403 -0.238 1.00 0.00 C ATOM 0 H VAL A 155 1.423 0.330 1.652 1.00 0.00 H new ATOM 0 HA VAL A 155 1.977 -0.118 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.701 -0.690 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.137 -1.768 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.754 -0.036 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.482 -1.258 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.265 -3.100 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.414 -2.698 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.829 -2.419 0.817 1.00 0.00 H new ATOM 810 N THR A 156 1.148 2.159 -1.662 1.00 0.00 N ATOM 811 CA THR A 156 0.732 3.507 -2.084 1.00 0.00 C ATOM 812 C THR A 156 -0.453 3.512 -3.046 1.00 0.00 C ATOM 813 O THR A 156 -0.558 2.616 -3.881 1.00 0.00 O ATOM 814 CB THR A 156 1.911 4.354 -2.609 1.00 0.00 C ATOM 815 OG1 THR A 156 3.107 4.054 -1.916 1.00 0.00 O ATOM 816 CG2 THR A 156 1.668 5.858 -2.471 1.00 0.00 C ATOM 0 H THR A 156 1.862 1.768 -2.277 1.00 0.00 H new ATOM 0 HA THR A 156 0.373 3.990 -1.175 1.00 0.00 H new ATOM 0 HB THR A 156 1.999 4.099 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.837 4.604 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.530 6.403 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.780 6.137 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.521 6.108 -1.420 1.00 0.00 H new ATOM 824 N PHE A 157 -1.348 4.501 -2.964 1.00 0.00 N ATOM 825 CA PHE A 157 -2.628 4.514 -3.677 1.00 0.00 C ATOM 826 C PHE A 157 -2.842 5.620 -4.714 1.00 0.00 C ATOM 827 O PHE A 157 -2.164 6.647 -4.704 1.00 0.00 O ATOM 828 CB PHE A 157 -3.783 4.369 -2.673 1.00 0.00 C ATOM 829 CG PHE A 157 -3.920 2.964 -2.119 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.094 2.544 -1.061 1.00 0.00 C ATOM 831 CD2 PHE A 157 -4.844 2.061 -2.674 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.180 1.230 -0.577 1.00 0.00 C ATOM 833 CE2 PHE A 157 -4.940 0.750 -2.175 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.101 0.328 -1.132 1.00 0.00 C ATOM 0 H PHE A 157 -1.200 5.331 -2.389 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.603 3.641 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.628 5.064 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.716 4.654 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.391 3.235 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.482 2.376 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.534 0.911 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.662 0.065 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.164 -0.684 -0.759 1.00 0.00 H new ATOM 844 N GLU A 158 -3.816 5.431 -5.600 1.00 0.00 N ATOM 845 CA GLU A 158 -4.303 6.491 -6.493 1.00 0.00 C ATOM 846 C GLU A 158 -5.067 7.573 -5.706 1.00 0.00 C ATOM 847 O GLU A 158 -4.844 8.766 -5.922 1.00 0.00 O ATOM 848 CB GLU A 158 -5.165 5.858 -7.601 1.00 0.00 C ATOM 849 CG GLU A 158 -5.866 6.844 -8.554 1.00 0.00 C ATOM 850 CD GLU A 158 -4.926 7.690 -9.442 1.00 0.00 C ATOM 851 OE1 GLU A 158 -3.686 7.504 -9.423 1.00 0.00 O ATOM 852 OE2 GLU A 158 -5.442 8.552 -10.197 1.00 0.00 O ATOM 0 H GLU A 158 -4.294 4.538 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.456 6.994 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.532 5.197 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.925 5.234 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.540 6.281 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.483 7.519 -7.961 1.00 0.00 H new ATOM 859 N SER A 159 -5.892 7.170 -4.730 1.00 0.00 N ATOM 860 CA SER A 159 -6.704 8.059 -3.882 1.00 0.00 C ATOM 861 C SER A 159 -6.728 7.608 -2.418 1.00 0.00 C ATOM 862 O SER A 159 -6.782 6.410 -2.131 1.00 0.00 O ATOM 863 CB SER A 159 -8.133 8.117 -4.428 1.00 0.00 C ATOM 864 OG SER A 159 -8.935 8.968 -3.624 1.00 0.00 O ATOM 0 H SER A 159 -6.018 6.184 -4.500 1.00 0.00 H new ATOM 0 HA SER A 159 -6.247 9.048 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.122 8.481 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.562 7.115 -4.449 1.00 0.00 H new ATOM 0 HG SER A 159 -9.845 8.997 -3.986 1.00 0.00 H new ATOM 870 N GLU A 160 -6.749 8.560 -1.476 1.00 0.00 N ATOM 871 CA GLU A 160 -6.968 8.252 -0.055 1.00 0.00 C ATOM 872 C GLU A 160 -8.371 7.691 0.236 1.00 0.00 C ATOM 873 O GLU A 160 -8.562 7.022 1.249 1.00 0.00 O ATOM 874 CB GLU A 160 -6.654 9.443 0.859 1.00 0.00 C ATOM 875 CG GLU A 160 -7.490 10.709 0.613 1.00 0.00 C ATOM 876 CD GLU A 160 -7.237 11.810 1.668 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.727 12.949 1.465 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.566 11.564 2.702 1.00 0.00 O ATOM 0 H GLU A 160 -6.617 9.552 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.256 7.460 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.796 9.131 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -5.600 9.697 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -7.262 11.102 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -8.548 10.446 0.616 1.00 0.00 H new ATOM 885 N ASP A 161 -9.335 7.875 -0.669 1.00 0.00 N ATOM 886 CA ASP A 161 -10.624 7.177 -0.585 1.00 0.00 C ATOM 887 C ASP A 161 -10.503 5.644 -0.640 1.00 0.00 C ATOM 888 O ASP A 161 -11.255 4.932 0.030 1.00 0.00 O ATOM 889 CB ASP A 161 -11.622 7.698 -1.634 1.00 0.00 C ATOM 890 CG ASP A 161 -12.192 9.104 -1.360 1.00 0.00 C ATOM 891 OD1 ASP A 161 -12.864 9.651 -2.268 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.019 9.663 -0.250 1.00 0.00 O ATOM 0 H ASP A 161 -9.249 8.501 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.017 7.410 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.130 7.707 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.452 6.995 -1.703 1.00 0.00 H new ATOM 897 N ILE A 162 -9.509 5.133 -1.381 1.00 0.00 N ATOM 898 CA ILE A 162 -9.153 3.708 -1.362 1.00 0.00 C ATOM 899 C ILE A 162 -8.382 3.359 -0.088 1.00 0.00 C ATOM 900 O ILE A 162 -8.682 2.345 0.529 1.00 0.00 O ATOM 901 CB ILE A 162 -8.345 3.281 -2.602 1.00 0.00 C ATOM 902 CG1 ILE A 162 -8.917 3.785 -3.935 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.241 1.748 -2.655 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.403 3.478 -4.179 1.00 0.00 C ATOM 0 H ILE A 162 -8.932 5.694 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.091 3.153 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.365 3.744 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.774 4.864 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.336 3.348 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.668 1.452 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.740 1.386 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.241 1.317 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.703 3.878 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.558 2.399 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.003 3.939 -3.395 1.00 0.00 H new ATOM 916 N VAL A 163 -7.443 4.203 0.356 1.00 0.00 N ATOM 917 CA VAL A 163 -6.692 3.970 1.607 1.00 0.00 C ATOM 918 C VAL A 163 -7.672 3.763 2.775 1.00 0.00 C ATOM 919 O VAL A 163 -7.528 2.805 3.531 1.00 0.00 O ATOM 920 CB VAL A 163 -5.746 5.152 1.916 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.008 5.052 3.254 1.00 0.00 C ATOM 922 CG2 VAL A 163 -4.685 5.313 0.824 1.00 0.00 C ATOM 0 H VAL A 163 -7.180 5.059 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.086 3.073 1.479 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.414 6.012 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.369 5.925 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -5.733 5.010 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.397 4.150 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.035 6.153 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.091 4.401 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.173 5.500 -0.133 1.00 0.00 H new ATOM 932 N GLU A 164 -8.716 4.594 2.874 1.00 0.00 N ATOM 933 CA GLU A 164 -9.823 4.436 3.831 1.00 0.00 C ATOM 934 C GLU A 164 -10.602 3.119 3.645 1.00 0.00 C ATOM 935 O GLU A 164 -10.787 2.376 4.608 1.00 0.00 O ATOM 936 CB GLU A 164 -10.801 5.621 3.707 1.00 0.00 C ATOM 937 CG GLU A 164 -10.260 6.974 4.202 1.00 0.00 C ATOM 938 CD GLU A 164 -10.174 7.117 5.734 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.477 6.164 6.489 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.775 8.212 6.200 1.00 0.00 O ATOM 0 H GLU A 164 -8.819 5.415 2.278 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.371 4.411 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.090 5.724 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -11.706 5.384 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.266 7.127 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -10.897 7.768 3.813 1.00 0.00 H new ATOM 947 N LYS A 165 -11.024 2.800 2.411 1.00 0.00 N ATOM 948 CA LYS A 165 -11.771 1.574 2.057 1.00 0.00 C ATOM 949 C LYS A 165 -11.029 0.296 2.464 1.00 0.00 C ATOM 950 O LYS A 165 -11.612 -0.612 3.057 1.00 0.00 O ATOM 951 CB LYS A 165 -12.027 1.615 0.540 1.00 0.00 C ATOM 952 CG LYS A 165 -12.820 0.432 -0.034 1.00 0.00 C ATOM 953 CD LYS A 165 -13.011 0.643 -1.544 1.00 0.00 C ATOM 954 CE LYS A 165 -13.782 -0.518 -2.182 1.00 0.00 C ATOM 955 NZ LYS A 165 -13.955 -0.303 -3.644 1.00 0.00 N ATOM 0 H LYS A 165 -10.852 3.403 1.606 1.00 0.00 H new ATOM 0 HA LYS A 165 -12.712 1.549 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.562 2.535 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.065 1.666 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.290 -0.502 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -13.788 0.352 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -13.548 1.576 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -12.038 0.742 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.248 -1.452 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -14.758 -0.616 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -14.480 -1.102 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -14.485 0.577 -3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -13.022 -0.233 -4.098 1.00 0.00 H new ATOM 969 N VAL A 166 -9.731 0.251 2.172 1.00 0.00 N ATOM 970 CA VAL A 166 -8.810 -0.840 2.528 1.00 0.00 C ATOM 971 C VAL A 166 -8.579 -0.900 4.046 1.00 0.00 C ATOM 972 O VAL A 166 -8.672 -1.974 4.643 1.00 0.00 O ATOM 973 CB VAL A 166 -7.475 -0.677 1.773 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.516 -1.833 2.065 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.652 -0.618 0.247 1.00 0.00 C ATOM 0 H VAL A 166 -9.268 1.002 1.660 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.266 -1.784 2.228 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.068 0.268 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.587 -1.683 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.304 -1.869 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -6.973 -2.772 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.678 -0.503 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.119 -1.539 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.285 0.230 -0.013 1.00 0.00 H new ATOM 985 N CYS A 167 -8.327 0.237 4.698 1.00 0.00 N ATOM 986 CA CYS A 167 -8.120 0.294 6.154 1.00 0.00 C ATOM 987 C CYS A 167 -9.362 -0.060 6.993 1.00 0.00 C ATOM 988 O CYS A 167 -9.225 -0.632 8.074 1.00 0.00 O ATOM 989 CB CYS A 167 -7.571 1.670 6.557 1.00 0.00 C ATOM 990 SG CYS A 167 -5.846 1.829 6.020 1.00 0.00 S ATOM 0 H CYS A 167 -8.260 1.144 4.237 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.390 -0.483 6.379 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.175 2.458 6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -7.637 1.795 7.638 1.00 0.00 H new ATOM 0 HG CYS A 167 -5.810 2.303 4.810 1.00 0.00 H new ATOM 996 N GLU A 168 -10.574 0.225 6.507 1.00 0.00 N ATOM 997 CA GLU A 168 -11.839 -0.117 7.150 1.00 0.00 C ATOM 998 C GLU A 168 -12.060 -1.641 7.265 1.00 0.00 C ATOM 999 O GLU A 168 -12.654 -2.112 8.238 1.00 0.00 O ATOM 1000 CB GLU A 168 -12.946 0.585 6.344 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.340 0.286 6.893 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.479 1.104 6.246 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -16.658 0.868 6.614 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -15.234 1.979 5.380 1.00 0.00 O ATOM 0 H GLU A 168 -10.702 0.718 5.623 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.844 0.227 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -12.776 1.662 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -12.892 0.267 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -14.550 -0.775 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.341 0.474 7.967 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.538 -2.420 6.309 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.541 -3.894 6.345 1.00 0.00 C ATOM 1013 C ILE A 169 -10.609 -4.429 7.448 1.00 0.00 C ATOM 1014 O ILE A 169 -10.928 -5.431 8.090 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.167 -4.447 4.950 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.269 -4.083 3.926 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -10.943 -5.969 4.955 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.789 -4.135 2.474 1.00 0.00 C ATOM 0 H ILE A 169 -11.093 -2.040 5.473 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.544 -4.242 6.593 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.222 -3.984 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.109 -4.767 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.640 -3.081 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.683 -6.302 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.131 -6.215 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.855 -6.470 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.611 -3.869 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -10.969 -3.431 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.445 -5.143 2.240 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.500 -3.720 7.702 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.488 -3.940 8.755 1.00 0.00 C ATOM 1032 C HIS A 170 -7.689 -5.245 8.621 1.00 0.00 C ATOM 1033 O HIS A 170 -6.469 -5.186 8.470 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.129 -3.755 10.143 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.194 -3.815 11.332 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.598 -4.130 12.635 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.850 -3.573 11.338 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.487 -4.081 13.390 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.426 -3.751 12.638 1.00 0.00 N ATOM 0 H HIS A 170 -9.264 -2.909 7.130 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.723 -3.176 8.622 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.638 -2.791 10.158 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.893 -4.522 10.271 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.239 -3.297 10.491 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.453 -4.279 14.451 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.468 -3.649 12.972 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.350 -6.403 8.615 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.762 -7.710 8.300 1.00 0.00 C ATOM 1049 C PHE A 171 -8.043 -8.273 6.901 1.00 0.00 C ATOM 1050 O PHE A 171 -9.188 -8.570 6.553 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.904 -8.723 9.443 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.884 -8.543 10.551 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -7.154 -7.694 11.642 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -5.649 -9.218 10.478 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -6.198 -7.534 12.663 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -4.695 -9.057 11.499 1.00 0.00 C ATOM 1057 CZ PHE A 171 -4.971 -8.217 12.592 1.00 0.00 C ATOM 0 H PHE A 171 -9.344 -6.461 8.837 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.696 -7.495 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -8.905 -8.641 9.867 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.811 -9.730 9.037 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -8.094 -7.166 11.695 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -5.435 -9.860 9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.407 -6.886 13.501 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -3.751 -9.578 11.443 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.240 -8.096 13.378 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.981 -8.433 6.113 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.967 -8.945 4.738 1.00 0.00 C ATOM 1069 C HIS A 172 -6.324 -10.340 4.684 1.00 0.00 C ATOM 1070 O HIS A 172 -5.801 -10.815 5.694 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.231 -7.923 3.859 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.954 -6.602 3.715 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.716 -6.216 2.609 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -6.998 -5.601 4.645 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.167 -4.982 2.886 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.741 -4.587 4.094 1.00 0.00 N ATOM 0 H HIS A 172 -6.044 -8.193 6.437 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.982 -9.067 4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.243 -7.741 4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.080 -8.353 2.869 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.538 -5.607 5.622 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.786 -4.391 2.228 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -7.936 -3.686 4.530 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.341 -11.018 3.532 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.800 -12.381 3.389 1.00 0.00 C ATOM 1086 C GLU A 173 -5.063 -12.585 2.054 1.00 0.00 C ATOM 1087 O GLU A 173 -5.642 -12.405 0.983 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.927 -13.412 3.591 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.415 -14.863 3.596 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.530 -15.925 3.698 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -8.726 -15.586 3.880 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.202 -17.131 3.597 1.00 0.00 O ATOM 0 H GLU A 173 -6.730 -10.640 2.668 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.049 -12.531 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.435 -13.208 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.666 -13.295 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.844 -15.038 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.728 -14.992 4.433 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.789 -12.990 2.121 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.872 -13.157 0.979 1.00 0.00 C ATOM 1101 C ILE A 174 -2.077 -14.462 1.162 1.00 0.00 C ATOM 1102 O ILE A 174 -1.575 -14.734 2.254 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.933 -11.927 0.818 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.695 -10.580 0.893 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -1.147 -12.047 -0.504 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.822 -9.328 0.735 1.00 0.00 C ATOM 0 H ILE A 174 -3.346 -13.221 3.010 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.452 -13.222 0.059 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.236 -11.928 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.461 -10.570 0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.211 -10.525 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.489 -11.185 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.550 -12.959 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.845 -12.082 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.447 -8.438 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.072 -9.305 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.326 -9.351 -0.235 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.979 -15.289 0.113 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.302 -16.600 0.132 1.00 0.00 C ATOM 1120 C ASN A 175 -1.744 -17.522 1.298 1.00 0.00 C ATOM 1121 O ASN A 175 -0.924 -18.181 1.942 1.00 0.00 O ATOM 1122 CB ASN A 175 0.225 -16.416 0.015 1.00 0.00 C ATOM 1123 CG ASN A 175 0.675 -15.839 -1.319 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.171 -16.172 -2.383 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.681 -15.004 -1.294 1.00 0.00 N ATOM 0 H ASN A 175 -2.378 -15.062 -0.798 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.630 -17.150 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.565 -15.760 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.710 -17.381 0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.051 -14.625 -2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.096 -14.731 -0.403 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.053 -17.547 1.580 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.694 -18.327 2.653 1.00 0.00 C ATOM 1134 C ASN A 176 -3.210 -17.959 4.083 1.00 0.00 C ATOM 1135 O ASN A 176 -3.315 -18.774 5.006 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.612 -19.833 2.307 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.829 -20.629 2.760 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -5.608 -21.128 1.958 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -5.018 -20.805 4.046 1.00 0.00 N ATOM 0 H ASN A 176 -3.727 -17.000 1.044 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.748 -18.054 2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.496 -19.944 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -2.719 -20.255 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -5.811 -21.356 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -4.372 -20.391 4.718 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.706 -16.731 4.291 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.410 -16.139 5.610 1.00 0.00 C ATOM 1148 C LYS A 177 -3.039 -14.749 5.733 1.00 0.00 C ATOM 1149 O LYS A 177 -3.255 -14.067 4.732 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.893 -16.132 5.871 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.551 -15.599 7.276 1.00 0.00 C ATOM 1152 CD LYS A 177 0.943 -15.702 7.563 1.00 0.00 C ATOM 1153 CE LYS A 177 1.339 -15.138 8.935 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.828 -15.958 10.066 1.00 0.00 N ATOM 0 H LYS A 177 -2.485 -16.100 3.520 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.861 -16.756 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.502 -17.144 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.399 -15.516 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -0.868 -14.559 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -1.107 -16.163 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 177 1.245 -16.748 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.492 -15.169 6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 177 2.426 -15.078 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.958 -14.121 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 1.125 -15.531 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -0.211 -15.995 10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.212 -16.922 9.997 1.00 0.00 H new ATOM 1168 N MET A 178 -3.342 -14.329 6.960 1.00 0.00 N ATOM 1169 CA MET A 178 -3.980 -13.034 7.230 1.00 0.00 C ATOM 1170 C MET A 178 -2.972 -11.929 7.554 1.00 0.00 C ATOM 1171 O MET A 178 -1.957 -12.176 8.210 1.00 0.00 O ATOM 1172 CB MET A 178 -5.070 -13.139 8.306 1.00 0.00 C ATOM 1173 CG MET A 178 -6.241 -14.007 7.828 1.00 0.00 C ATOM 1174 SD MET A 178 -7.808 -13.703 8.687 1.00 0.00 S ATOM 1175 CE MET A 178 -8.393 -12.280 7.722 1.00 0.00 C ATOM 0 H MET A 178 -3.153 -14.876 7.800 1.00 0.00 H new ATOM 0 HA MET A 178 -4.469 -12.743 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.646 -13.564 9.216 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.432 -12.142 8.559 1.00 0.00 H new ATOM 0 HG2 MET A 178 -6.388 -13.839 6.761 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.972 -15.056 7.951 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.216 -11.797 8.249 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.577 -11.569 7.592 1.00 0.00 H new ATOM 0 HE3 MET A 178 -8.738 -12.620 6.745 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.275 -10.708 7.110 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.431 -9.513 7.259 1.00 0.00 C ATOM 1187 C VAL A 179 -3.235 -8.313 7.745 1.00 0.00 C ATOM 1188 O VAL A 179 -4.405 -8.140 7.401 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.654 -9.171 5.970 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.772 -10.340 5.541 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.539 -8.769 4.784 1.00 0.00 C ATOM 0 H VAL A 179 -4.147 -10.513 6.618 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.692 -9.756 8.022 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.052 -8.301 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.234 -10.075 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.057 -10.566 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.394 -11.215 5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.912 -8.546 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.214 -9.589 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.121 -7.886 5.047 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.593 -7.486 8.562 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.182 -6.275 9.137 1.00 0.00 C ATOM 1203 C GLU A 180 -2.828 -5.047 8.290 1.00 0.00 C ATOM 1204 O GLU A 180 -1.646 -4.723 8.135 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.683 -6.093 10.578 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.530 -5.048 11.316 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.986 -4.673 12.704 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -1.780 -4.880 12.981 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.759 -4.093 13.501 1.00 0.00 O ATOM 0 H GLU A 180 -1.627 -7.639 8.852 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.267 -6.380 9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.728 -7.045 11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.638 -5.782 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.591 -4.147 10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.545 -5.429 11.425 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.841 -4.338 7.788 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.684 -3.094 7.036 1.00 0.00 C ATOM 1218 C CYS A 181 -4.088 -1.869 7.869 1.00 0.00 C ATOM 1219 O CYS A 181 -5.160 -1.846 8.482 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.436 -3.168 5.705 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.732 -4.503 4.702 1.00 0.00 S ATOM 0 H CYS A 181 -4.815 -4.620 7.896 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.626 -2.969 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.496 -3.349 5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.358 -2.218 5.176 1.00 0.00 H new ATOM 0 HG CYS A 181 -4.082 -4.344 3.460 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.222 -0.851 7.885 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.325 0.376 8.707 1.00 0.00 C ATOM 1229 C LYS A 182 -2.858 1.590 7.902 1.00 0.00 C ATOM 1230 O LYS A 182 -2.035 1.427 7.008 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.459 0.231 9.979 1.00 0.00 C ATOM 1232 CG LYS A 182 -2.908 -0.908 10.909 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.915 -1.208 12.042 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.677 -1.961 11.525 1.00 0.00 C ATOM 1235 NZ LYS A 182 -0.029 -2.745 12.605 1.00 0.00 N ATOM 0 H LYS A 182 -2.387 -0.853 7.299 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.366 0.520 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -1.423 0.060 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.483 1.170 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -3.874 -0.651 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -3.055 -1.812 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.604 -0.274 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.408 -1.802 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.968 -2.628 10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.037 -1.249 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.882 -3.116 12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 0.132 -2.132 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.646 -3.537 12.877 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.291 2.812 8.230 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.715 4.033 7.626 1.00 0.00 C ATOM 1251 C LYS A 183 -1.216 4.146 7.932 1.00 0.00 C ATOM 1252 O LYS A 183 -0.809 3.941 9.076 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.451 5.293 8.104 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.866 5.413 7.521 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.497 6.739 7.964 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.854 6.950 7.291 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.428 8.273 7.645 1.00 0.00 N ATOM 0 H LYS A 183 -4.034 2.989 8.906 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.842 3.952 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.511 5.282 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.872 6.174 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.827 5.363 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.480 4.577 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.619 6.744 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -4.831 7.565 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.742 6.877 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.540 6.160 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.315 8.418 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.619 8.306 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -6.752 9.023 7.395 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.399 4.481 6.934 1.00 0.00 N ATOM 1272 CA ALA A 184 1.033 4.701 7.134 1.00 0.00 C ATOM 1273 C ALA A 184 1.284 6.001 7.925 1.00 0.00 C ATOM 1274 O ALA A 184 0.936 7.100 7.480 1.00 0.00 O ATOM 1275 CB ALA A 184 1.749 4.694 5.779 1.00 0.00 C ATOM 0 H ALA A 184 -0.708 4.607 5.970 1.00 0.00 H new ATOM 0 HA ALA A 184 1.445 3.889 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.816 4.858 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.596 3.731 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.345 5.488 5.150 1.00 0.00 H new