USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 308 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 110 TYR OH : rot -91:sc= 0.0604 USER MOD Set 1.2: A 141 GLN : amide:sc= 0.06 K(o=0.12,f=-0.44) USER MOD Set 2.1: A 108 CYS SG : rot 127:sc= 2.07 USER MOD Set 2.2: A 111 CYS SG : rot 180:sc= 0.0908 USER MOD Set 2.3: A 134 CYS SG : rot 180:sc= 0.853 USER MOD Set 2.4: A 137 CYS SG : rot 143:sc= 0.49 USER MOD Set 3.1: A 92 CYS SG : rot 146:sc= 1.02 USER MOD Set 3.2: A 95 CYS SG : rot -15:sc= 0.656 USER MOD Set 3.3: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 116 CYS SG : rot 180:sc= 0.577 USER MOD Set 3.5: A 119 CYS SG : rot 91:sc= -3.51! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-4.5!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.276 F(o=-2.9,f=-0.28) USER MOD Single : A 109 SER OG : rot 160:sc= 0.492 USER MOD Single : A 112 GLN : amide:sc= -0.0238 K(o=-0.024,f=-0.77) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= -0.0244 (180deg=-0.224) USER MOD Single : A 131 MET CE :methyl 158:sc= -0.144 (180deg=-0.788) USER MOD Single : A 135 ASN : amide:sc= -3.68! C(o=-3.7!,f=-12!) USER MOD Single : A 139 LYS NZ :NH3+ 170:sc= -0.0347 (180deg=-0.202) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.498 1.041 1.933 1.00 0.00 N ATOM 102 CA PRO A 90 -11.390 0.639 1.064 1.00 0.00 C ATOM 103 C PRO A 90 -10.944 -0.790 1.345 1.00 0.00 C ATOM 104 O PRO A 90 -11.178 -1.315 2.432 1.00 0.00 O ATOM 105 CB PRO A 90 -10.267 1.623 1.425 1.00 0.00 C ATOM 106 CG PRO A 90 -10.858 2.577 2.420 1.00 0.00 C ATOM 107 CD PRO A 90 -12.018 1.862 3.043 1.00 0.00 C ATOM 0 HA PRO A 90 -11.668 0.663 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.410 1.099 1.848 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.912 2.152 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.123 2.858 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.183 3.496 1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.714 1.257 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.781 2.554 3.399 1.00 0.00 H new ATOM 115 N THR A 91 -10.277 -1.411 0.379 1.00 0.00 N ATOM 116 CA THR A 91 -9.833 -2.790 0.548 1.00 0.00 C ATOM 117 C THR A 91 -8.409 -3.012 0.067 1.00 0.00 C ATOM 118 O THR A 91 -7.890 -2.275 -0.772 1.00 0.00 O ATOM 119 CB THR A 91 -10.758 -3.776 -0.188 1.00 0.00 C ATOM 120 OG1 THR A 91 -11.069 -3.279 -1.495 1.00 0.00 O ATOM 121 CG2 THR A 91 -12.038 -4.005 0.600 1.00 0.00 C ATOM 0 H THR A 91 -10.034 -0.989 -0.517 1.00 0.00 H new ATOM 0 HA THR A 91 -9.871 -2.977 1.621 1.00 0.00 H new ATOM 0 HB THR A 91 -10.237 -4.728 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.656 -3.914 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.677 -4.705 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.794 -4.417 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.563 -3.058 0.725 1.00 0.00 H new ATOM 129 N CYS A 92 -7.792 -4.045 0.621 1.00 0.00 N ATOM 130 CA CYS A 92 -6.432 -4.427 0.276 1.00 0.00 C ATOM 131 C CYS A 92 -6.415 -5.204 -1.042 1.00 0.00 C ATOM 132 O CYS A 92 -7.079 -6.230 -1.174 1.00 0.00 O ATOM 133 CB CYS A 92 -5.860 -5.277 1.411 1.00 0.00 C ATOM 134 SG CYS A 92 -4.176 -5.866 1.152 1.00 0.00 S ATOM 0 H CYS A 92 -8.223 -4.644 1.325 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.819 -3.535 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.886 -4.692 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.510 -6.139 1.562 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.554 -5.919 2.293 1.00 0.00 H new ATOM 139 N GLY A 93 -5.648 -4.713 -2.014 1.00 0.00 N ATOM 140 CA GLY A 93 -5.572 -5.369 -3.309 1.00 0.00 C ATOM 141 C GLY A 93 -4.771 -6.662 -3.288 1.00 0.00 C ATOM 142 O GLY A 93 -4.610 -7.311 -4.322 1.00 0.00 O ATOM 0 H GLY A 93 -5.078 -3.872 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.582 -5.582 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.123 -4.684 -4.028 1.00 0.00 H new ATOM 146 N ILE A 94 -4.268 -7.038 -2.118 1.00 0.00 N ATOM 147 CA ILE A 94 -3.487 -8.256 -1.975 1.00 0.00 C ATOM 148 C ILE A 94 -4.340 -9.377 -1.374 1.00 0.00 C ATOM 149 O ILE A 94 -4.711 -10.323 -2.069 1.00 0.00 O ATOM 150 CB ILE A 94 -2.242 -8.010 -1.079 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.235 -7.067 -1.749 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.546 -9.321 -0.737 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.837 -5.933 -2.553 1.00 0.00 C ATOM 0 H ILE A 94 -4.389 -6.513 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.153 -8.557 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.604 -7.541 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.594 -6.641 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.595 -7.655 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.678 -9.119 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.238 -9.971 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.223 -9.812 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.039 -5.328 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.454 -6.342 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.452 -5.312 -1.902 1.00 0.00 H new ATOM 165 N CYS A 95 -4.647 -9.265 -0.084 1.00 0.00 N ATOM 166 CA CYS A 95 -5.446 -10.280 0.597 1.00 0.00 C ATOM 167 C CYS A 95 -6.945 -9.970 0.537 1.00 0.00 C ATOM 168 O CYS A 95 -7.773 -10.835 0.824 1.00 0.00 O ATOM 169 CB CYS A 95 -4.994 -10.440 2.053 1.00 0.00 C ATOM 170 SG CYS A 95 -4.785 -8.873 2.959 1.00 0.00 S ATOM 0 H CYS A 95 -4.357 -8.487 0.508 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.284 -11.220 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.723 -11.055 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.049 -10.982 2.069 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.742 -7.886 2.114 1.00 0.00 H new ATOM 175 N HIS A 96 -7.292 -8.739 0.166 1.00 0.00 N ATOM 176 CA HIS A 96 -8.693 -8.338 0.064 1.00 0.00 C ATOM 177 C HIS A 96 -9.409 -8.480 1.403 1.00 0.00 C ATOM 178 O HIS A 96 -10.624 -8.669 1.449 1.00 0.00 O ATOM 179 CB HIS A 96 -9.410 -9.178 -0.995 1.00 0.00 C ATOM 180 CG HIS A 96 -8.835 -9.033 -2.369 1.00 0.00 C ATOM 181 ND1 HIS A 96 -9.319 -8.135 -3.298 1.00 0.00 N ATOM 182 CD2 HIS A 96 -7.810 -9.680 -2.973 1.00 0.00 C ATOM 183 CE1 HIS A 96 -8.618 -8.238 -4.413 1.00 0.00 C ATOM 184 NE2 HIS A 96 -7.697 -9.166 -4.241 1.00 0.00 N ATOM 0 H HIS A 96 -6.624 -8.004 -0.068 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.717 -7.288 -0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.369 -10.227 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.462 -8.895 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.196 -10.455 -2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.773 -7.660 -5.312 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.011 -9.455 -4.938 1.00 0.00 H new ATOM 193 N LYS A 97 -8.654 -8.384 2.490 1.00 0.00 N ATOM 194 CA LYS A 97 -9.223 -8.503 3.827 1.00 0.00 C ATOM 195 C LYS A 97 -9.116 -7.180 4.578 1.00 0.00 C ATOM 196 O LYS A 97 -10.124 -6.552 4.900 1.00 0.00 O ATOM 197 CB LYS A 97 -8.509 -9.605 4.612 1.00 0.00 C ATOM 198 CG LYS A 97 -9.038 -9.789 6.025 1.00 0.00 C ATOM 199 CD LYS A 97 -8.204 -10.793 6.803 1.00 0.00 C ATOM 200 CE LYS A 97 -8.749 -11.006 8.206 1.00 0.00 C ATOM 201 NZ LYS A 97 -7.907 -11.950 8.991 1.00 0.00 N ATOM 0 H LYS A 97 -7.647 -8.224 2.472 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.277 -8.763 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.607 -10.546 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.445 -9.374 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.034 -8.831 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.074 -10.126 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.188 -11.744 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.173 -10.443 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.801 -10.049 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.767 -11.391 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.312 -12.068 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.878 -12.872 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.942 -11.570 9.071 1.00 0.00 H new ATOM 215 N THR A 98 -7.885 -6.765 4.852 1.00 0.00 N ATOM 216 CA THR A 98 -7.636 -5.520 5.561 1.00 0.00 C ATOM 217 C THR A 98 -8.138 -4.320 4.760 1.00 0.00 C ATOM 218 O THR A 98 -7.685 -4.073 3.642 1.00 0.00 O ATOM 219 CB THR A 98 -6.131 -5.349 5.861 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.686 -6.391 6.737 1.00 0.00 O ATOM 221 CG2 THR A 98 -5.840 -3.996 6.494 1.00 0.00 C ATOM 0 H THR A 98 -7.042 -7.276 4.592 1.00 0.00 H new ATOM 0 HA THR A 98 -8.183 -5.566 6.503 1.00 0.00 H new ATOM 0 HB THR A 98 -5.594 -5.407 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.730 -6.277 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.772 -3.909 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.149 -3.202 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.391 -3.906 7.430 1.00 0.00 H new ATOM 229 N LYS A 99 -9.075 -3.579 5.343 1.00 0.00 N ATOM 230 CA LYS A 99 -9.634 -2.400 4.696 1.00 0.00 C ATOM 231 C LYS A 99 -8.895 -1.153 5.161 1.00 0.00 C ATOM 232 O LYS A 99 -8.556 -1.028 6.338 1.00 0.00 O ATOM 233 CB LYS A 99 -11.125 -2.279 5.014 1.00 0.00 C ATOM 234 CG LYS A 99 -11.954 -3.432 4.475 1.00 0.00 C ATOM 235 CD LYS A 99 -13.414 -3.301 4.875 1.00 0.00 C ATOM 236 CE LYS A 99 -14.230 -4.494 4.400 1.00 0.00 C ATOM 237 NZ LYS A 99 -15.663 -4.375 4.785 1.00 0.00 N ATOM 0 H LYS A 99 -9.463 -3.776 6.265 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.515 -2.500 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.255 -2.223 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.503 -1.345 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.874 -3.462 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.556 -4.375 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.489 -3.215 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.827 -2.385 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.151 -4.579 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.815 -5.409 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.185 -5.207 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.741 -4.319 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.066 -3.515 4.361 1.00 0.00 H new ATOM 251 N PHE A 100 -8.649 -0.231 4.238 1.00 0.00 N ATOM 252 CA PHE A 100 -7.934 0.995 4.576 1.00 0.00 C ATOM 253 C PHE A 100 -8.802 1.909 5.433 1.00 0.00 C ATOM 254 O PHE A 100 -9.990 1.651 5.628 1.00 0.00 O ATOM 255 CB PHE A 100 -7.484 1.736 3.317 1.00 0.00 C ATOM 256 CG PHE A 100 -6.854 0.852 2.280 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.914 -0.100 2.638 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.191 0.985 0.942 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.320 -0.902 1.681 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.603 0.185 -0.018 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.665 -0.759 0.351 1.00 0.00 C ATOM 0 H PHE A 100 -8.930 -0.306 3.260 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.049 0.713 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.345 2.239 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.772 2.512 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.642 -0.217 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.922 1.723 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.587 -1.639 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.877 0.298 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.202 -1.384 -0.398 1.00 0.00 H new ATOM 311 N GLY A 105 -5.267 3.463 1.252 1.00 0.00 N ATOM 312 CA GLY A 105 -4.313 2.893 2.188 1.00 0.00 C ATOM 313 C GLY A 105 -2.881 3.033 1.715 1.00 0.00 C ATOM 314 O GLY A 105 -2.463 4.105 1.278 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.422 3.382 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.541 1.838 2.337 1.00 0.00 H new ATOM 318 N HIS A 106 -2.128 1.943 1.802 1.00 0.00 N ATOM 319 CA HIS A 106 -0.734 1.939 1.377 1.00 0.00 C ATOM 320 C HIS A 106 -0.618 1.426 -0.053 1.00 0.00 C ATOM 321 O HIS A 106 -1.114 0.347 -0.376 1.00 0.00 O ATOM 322 CB HIS A 106 0.103 1.068 2.317 1.00 0.00 C ATOM 323 CG HIS A 106 -0.064 1.422 3.762 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.698 2.383 4.395 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.914 0.940 4.700 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.323 2.475 5.659 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.653 1.612 5.868 1.00 0.00 N ATOM 0 H HIS A 106 -2.460 1.049 2.164 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.357 2.961 1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.171 0.023 2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.155 1.162 2.047 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.435 2.935 3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.658 0.171 4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.744 3.143 6.396 1.00 0.00 H new ATOM 336 N ASN A 107 0.038 2.203 -0.909 1.00 0.00 N ATOM 337 CA ASN A 107 0.196 1.826 -2.309 1.00 0.00 C ATOM 338 C ASN A 107 1.655 1.541 -2.648 1.00 0.00 C ATOM 339 O ASN A 107 2.546 2.327 -2.326 1.00 0.00 O ATOM 340 CB ASN A 107 -0.350 2.936 -3.211 1.00 0.00 C ATOM 341 CG ASN A 107 -1.677 3.497 -2.722 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.472 2.671 -2.045 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -1.985 4.667 -2.952 1.00 0.00 N flip ATOM 0 H ASN A 107 0.467 3.094 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.370 0.910 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.381 3.743 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.476 2.547 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.348 5.269 -3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.877 5.034 -2.620 1.00 0.00 H new ATOM 350 N CYS A 108 1.890 0.406 -3.302 1.00 0.00 N ATOM 351 CA CYS A 108 3.238 0.006 -3.692 1.00 0.00 C ATOM 352 C CYS A 108 3.916 1.094 -4.518 1.00 0.00 C ATOM 353 O CYS A 108 3.389 1.531 -5.539 1.00 0.00 O ATOM 354 CB CYS A 108 3.194 -1.292 -4.500 1.00 0.00 C ATOM 355 SG CYS A 108 4.823 -2.016 -4.812 1.00 0.00 S ATOM 0 H CYS A 108 1.161 -0.254 -3.573 1.00 0.00 H new ATOM 0 HA CYS A 108 3.815 -0.152 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.580 -2.019 -3.968 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.704 -1.098 -5.454 1.00 0.00 H new ATOM 0 HG CYS A 108 4.825 -3.260 -4.433 1.00 0.00 H new ATOM 360 N SER A 109 5.090 1.523 -4.071 1.00 0.00 N ATOM 361 CA SER A 109 5.846 2.554 -4.770 1.00 0.00 C ATOM 362 C SER A 109 6.163 2.130 -6.202 1.00 0.00 C ATOM 363 O SER A 109 6.487 2.967 -7.045 1.00 0.00 O ATOM 364 CB SER A 109 7.145 2.855 -4.022 1.00 0.00 C ATOM 365 OG SER A 109 7.865 3.902 -4.650 1.00 0.00 O ATOM 0 H SER A 109 5.540 1.172 -3.226 1.00 0.00 H new ATOM 0 HA SER A 109 5.232 3.454 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.919 3.132 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.762 1.957 -3.983 1.00 0.00 H new ATOM 0 HG SER A 109 8.501 4.290 -4.013 1.00 0.00 H new ATOM 371 N TYR A 110 6.073 0.829 -6.473 1.00 0.00 N ATOM 372 CA TYR A 110 6.359 0.310 -7.805 1.00 0.00 C ATOM 373 C TYR A 110 5.079 -0.122 -8.520 1.00 0.00 C ATOM 374 O TYR A 110 4.603 0.560 -9.428 1.00 0.00 O ATOM 375 CB TYR A 110 7.328 -0.872 -7.716 1.00 0.00 C ATOM 376 CG TYR A 110 8.655 -0.532 -7.073 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.639 0.143 -7.785 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.929 -0.894 -5.758 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.855 0.451 -7.206 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.142 -0.589 -5.172 1.00 0.00 C ATOM 381 CZ TYR A 110 11.102 0.083 -5.899 1.00 0.00 C ATOM 382 OH TYR A 110 12.313 0.387 -5.320 1.00 0.00 O ATOM 0 H TYR A 110 5.806 0.120 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 110 6.819 1.112 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.856 -1.674 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.510 -1.256 -8.720 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.450 0.432 -8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.181 -1.422 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.608 0.977 -7.773 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.338 -0.875 -4.149 1.00 0.00 H new ATOM 0 HH TYR A 110 12.935 -0.358 -5.453 1.00 0.00 H new ATOM 392 N CYS A 111 4.532 -1.260 -8.105 1.00 0.00 N ATOM 393 CA CYS A 111 3.311 -1.798 -8.701 1.00 0.00 C ATOM 394 C CYS A 111 2.152 -0.811 -8.596 1.00 0.00 C ATOM 395 O CYS A 111 1.218 -0.853 -9.396 1.00 0.00 O ATOM 396 CB CYS A 111 2.919 -3.108 -8.015 1.00 0.00 C ATOM 397 SG CYS A 111 4.306 -4.256 -7.742 1.00 0.00 S ATOM 0 H CYS A 111 4.917 -1.832 -7.353 1.00 0.00 H new ATOM 0 HA CYS A 111 3.517 -1.979 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.459 -2.878 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.162 -3.608 -8.619 1.00 0.00 H new ATOM 0 HG CYS A 111 3.870 -5.331 -7.155 1.00 0.00 H new ATOM 402 N GLN A 112 2.216 0.067 -7.598 1.00 0.00 N ATOM 403 CA GLN A 112 1.165 1.056 -7.368 1.00 0.00 C ATOM 404 C GLN A 112 -0.101 0.407 -6.801 1.00 0.00 C ATOM 405 O GLN A 112 -1.115 1.079 -6.613 1.00 0.00 O ATOM 406 CB GLN A 112 0.830 1.806 -8.661 1.00 0.00 C ATOM 407 CG GLN A 112 2.046 2.403 -9.349 1.00 0.00 C ATOM 408 CD GLN A 112 2.821 3.344 -8.448 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.249 3.997 -7.574 1.00 0.00 O ATOM 410 NE2 GLN A 112 4.130 3.418 -8.656 1.00 0.00 N ATOM 0 H GLN A 112 2.988 0.114 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 112 1.544 1.767 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.332 1.123 -9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.122 2.604 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.703 1.599 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.726 2.941 -10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.562 2.859 -9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.704 4.034 -8.080 1.00 0.00 H new ATOM 419 N THR A 113 -0.044 -0.900 -6.529 1.00 0.00 N ATOM 420 CA THR A 113 -1.192 -1.614 -5.988 1.00 0.00 C ATOM 421 C THR A 113 -1.494 -1.167 -4.566 1.00 0.00 C ATOM 422 O THR A 113 -0.585 -0.831 -3.806 1.00 0.00 O ATOM 423 CB THR A 113 -0.967 -3.138 -5.992 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.674 -3.587 -7.320 1.00 0.00 O ATOM 425 CG2 THR A 113 -2.196 -3.867 -5.466 1.00 0.00 C ATOM 0 H THR A 113 0.783 -1.478 -6.676 1.00 0.00 H new ATOM 0 HA THR A 113 -2.038 -1.378 -6.633 1.00 0.00 H new ATOM 0 HB THR A 113 -0.123 -3.360 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.531 -4.556 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.014 -4.942 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.401 -3.545 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.054 -3.637 -6.098 1.00 0.00 H new ATOM 433 N LYS A 114 -2.771 -1.165 -4.210 1.00 0.00 N ATOM 434 CA LYS A 114 -3.180 -0.765 -2.873 1.00 0.00 C ATOM 435 C LYS A 114 -3.116 -1.950 -1.918 1.00 0.00 C ATOM 436 O LYS A 114 -3.892 -2.895 -2.036 1.00 0.00 O ATOM 437 CB LYS A 114 -4.597 -0.192 -2.893 1.00 0.00 C ATOM 438 CG LYS A 114 -4.793 0.915 -3.917 1.00 0.00 C ATOM 439 CD LYS A 114 -6.230 1.411 -3.934 1.00 0.00 C ATOM 440 CE LYS A 114 -7.194 0.310 -4.347 1.00 0.00 C ATOM 441 NZ LYS A 114 -6.897 -0.207 -5.711 1.00 0.00 N ATOM 0 H LYS A 114 -3.538 -1.435 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.493 0.007 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.302 -0.997 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.837 0.194 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.123 1.745 -3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.522 0.548 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.500 1.781 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.318 2.251 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.139 -0.508 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.215 0.692 -4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.700 -0.775 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.740 0.592 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.043 -0.800 -5.679 1.00 0.00 H new ATOM 455 N PHE A 115 -2.183 -1.896 -0.976 1.00 0.00 N ATOM 456 CA PHE A 115 -2.028 -2.970 -0.004 1.00 0.00 C ATOM 457 C PHE A 115 -2.101 -2.436 1.422 1.00 0.00 C ATOM 458 O PHE A 115 -1.962 -1.237 1.659 1.00 0.00 O ATOM 459 CB PHE A 115 -0.718 -3.732 -0.225 1.00 0.00 C ATOM 460 CG PHE A 115 0.519 -2.881 -0.162 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.895 -2.259 1.019 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.315 -2.720 -1.283 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.044 -1.492 1.077 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.462 -1.952 -1.230 1.00 0.00 C ATOM 465 CZ PHE A 115 2.827 -1.338 -0.051 1.00 0.00 C ATOM 0 H PHE A 115 -1.525 -1.124 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.854 -3.666 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.640 -4.519 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.757 -4.221 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.284 -2.375 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.036 -3.200 -2.209 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.329 -1.014 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.073 -1.833 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.724 -0.737 -0.009 1.00 0.00 H new ATOM 475 N CYS A 116 -2.320 -3.346 2.362 1.00 0.00 N ATOM 476 CA CYS A 116 -2.438 -2.993 3.769 1.00 0.00 C ATOM 477 C CYS A 116 -1.070 -2.962 4.441 1.00 0.00 C ATOM 478 O CYS A 116 -0.078 -3.416 3.872 1.00 0.00 O ATOM 479 CB CYS A 116 -3.358 -3.992 4.476 1.00 0.00 C ATOM 480 SG CYS A 116 -2.738 -5.706 4.477 1.00 0.00 S ATOM 0 H CYS A 116 -2.420 -4.343 2.172 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.869 -1.995 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.503 -3.669 5.507 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.336 -3.971 3.995 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.584 -6.473 5.099 1.00 0.00 H new ATOM 485 N ALA A 117 -1.022 -2.426 5.655 1.00 0.00 N ATOM 486 CA ALA A 117 0.228 -2.334 6.401 1.00 0.00 C ATOM 487 C ALA A 117 0.885 -3.703 6.566 1.00 0.00 C ATOM 488 O ALA A 117 2.083 -3.796 6.831 1.00 0.00 O ATOM 489 CB ALA A 117 -0.018 -1.698 7.760 1.00 0.00 C ATOM 0 H ALA A 117 -1.834 -2.049 6.144 1.00 0.00 H new ATOM 0 HA ALA A 117 0.912 -1.705 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.922 -1.635 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.427 -0.697 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.726 -2.306 8.323 1.00 0.00 H new ATOM 495 N ARG A 118 0.100 -4.765 6.405 1.00 0.00 N ATOM 496 CA ARG A 118 0.615 -6.123 6.545 1.00 0.00 C ATOM 497 C ARG A 118 1.067 -6.699 5.203 1.00 0.00 C ATOM 498 O ARG A 118 1.747 -7.724 5.161 1.00 0.00 O ATOM 499 CB ARG A 118 -0.447 -7.027 7.172 1.00 0.00 C ATOM 500 CG ARG A 118 -0.882 -6.575 8.555 1.00 0.00 C ATOM 501 CD ARG A 118 -1.964 -7.477 9.124 1.00 0.00 C ATOM 502 NE ARG A 118 -2.408 -7.028 10.441 1.00 0.00 N ATOM 503 CZ ARG A 118 -3.538 -7.432 11.014 1.00 0.00 C ATOM 504 NH1 ARG A 118 -4.334 -8.286 10.383 1.00 0.00 N ATOM 505 NH2 ARG A 118 -3.872 -6.981 12.214 1.00 0.00 N ATOM 0 H ARG A 118 -0.893 -4.711 6.178 1.00 0.00 H new ATOM 0 HA ARG A 118 1.486 -6.080 7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.318 -7.060 6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.057 -8.043 7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.022 -6.571 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.251 -5.551 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.814 -7.499 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.586 -8.497 9.196 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.819 -6.368 10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.079 -8.633 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.201 -8.596 10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.262 -6.323 12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.739 -7.292 12.652 1.00 0.00 H new ATOM 519 N CYS A 119 0.688 -6.043 4.108 1.00 0.00 N ATOM 520 CA CYS A 119 1.071 -6.501 2.778 1.00 0.00 C ATOM 521 C CYS A 119 2.132 -5.585 2.174 1.00 0.00 C ATOM 522 O CYS A 119 2.258 -5.482 0.954 1.00 0.00 O ATOM 523 CB CYS A 119 -0.153 -6.563 1.862 1.00 0.00 C ATOM 524 SG CYS A 119 -1.190 -8.041 2.100 1.00 0.00 S ATOM 0 H CYS A 119 0.119 -5.197 4.117 1.00 0.00 H new ATOM 0 HA CYS A 119 1.492 -7.502 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.763 -5.675 2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.181 -6.531 0.825 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.111 -7.788 2.982 1.00 0.00 H new ATOM 529 N GLY A 120 2.891 -4.923 3.041 1.00 0.00 N ATOM 530 CA GLY A 120 3.936 -4.023 2.586 1.00 0.00 C ATOM 531 C GLY A 120 4.792 -3.509 3.729 1.00 0.00 C ATOM 532 O GLY A 120 4.726 -4.029 4.842 1.00 0.00 O ATOM 0 H GLY A 120 2.801 -4.994 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.569 -4.540 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.484 -3.179 2.065 1.00 0.00 H new ATOM 536 N GLY A 121 5.598 -2.487 3.456 1.00 0.00 N ATOM 537 CA GLY A 121 6.455 -1.928 4.486 1.00 0.00 C ATOM 538 C GLY A 121 6.671 -0.435 4.320 1.00 0.00 C ATOM 539 O GLY A 121 6.537 0.102 3.221 1.00 0.00 O ATOM 0 H GLY A 121 5.673 -2.038 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.014 -2.121 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.420 -2.435 4.465 1.00 0.00 H new ATOM 543 N ARG A 122 7.005 0.235 5.419 1.00 0.00 N ATOM 544 CA ARG A 122 7.243 1.672 5.400 1.00 0.00 C ATOM 545 C ARG A 122 8.703 1.974 5.079 1.00 0.00 C ATOM 546 O ARG A 122 9.611 1.400 5.681 1.00 0.00 O ATOM 547 CB ARG A 122 6.867 2.286 6.750 1.00 0.00 C ATOM 548 CG ARG A 122 7.083 3.788 6.818 1.00 0.00 C ATOM 549 CD ARG A 122 6.805 4.327 8.212 1.00 0.00 C ATOM 550 NE ARG A 122 7.739 3.796 9.201 1.00 0.00 N ATOM 551 CZ ARG A 122 7.528 3.838 10.513 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.418 4.383 10.991 1.00 0.00 N ATOM 553 NH2 ARG A 122 8.428 3.335 11.348 1.00 0.00 N ATOM 0 H ARG A 122 7.117 -0.197 6.336 1.00 0.00 H new ATOM 0 HA ARG A 122 6.620 2.112 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.820 2.068 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.455 1.807 7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.109 4.023 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.431 4.284 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.870 5.415 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.786 4.072 8.503 1.00 0.00 H new ATOM 0 HE ARG A 122 8.602 3.369 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.724 4.771 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.258 4.414 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.283 2.915 10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.265 3.368 12.354 1.00 0.00 H new ATOM 700 N MET A 131 7.326 6.382 1.014 1.00 0.00 N ATOM 701 CA MET A 131 6.795 5.450 0.026 1.00 0.00 C ATOM 702 C MET A 131 6.740 4.038 0.584 1.00 0.00 C ATOM 703 O MET A 131 7.645 3.598 1.292 1.00 0.00 O ATOM 704 CB MET A 131 7.645 5.475 -1.242 1.00 0.00 C ATOM 705 CG MET A 131 9.128 5.269 -0.984 1.00 0.00 C ATOM 706 SD MET A 131 10.109 5.304 -2.496 1.00 0.00 S ATOM 707 CE MET A 131 9.755 6.955 -3.094 1.00 0.00 C ATOM 0 HA MET A 131 5.781 5.764 -0.220 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.292 4.699 -1.922 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.502 6.430 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.486 6.044 -0.306 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.276 4.313 -0.482 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.548 7.275 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.804 6.953 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.697 7.643 -2.250 1.00 0.00 H new ATOM 717 N TRP A 132 5.665 3.337 0.257 1.00 0.00 N ATOM 718 CA TRP A 132 5.473 1.971 0.723 1.00 0.00 C ATOM 719 C TRP A 132 5.769 0.964 -0.383 1.00 0.00 C ATOM 720 O TRP A 132 5.455 1.195 -1.551 1.00 0.00 O ATOM 721 CB TRP A 132 4.047 1.786 1.243 1.00 0.00 C ATOM 722 CG TRP A 132 3.866 2.268 2.648 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.784 3.563 3.072 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.744 1.454 3.818 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.622 3.603 4.436 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.593 2.320 4.917 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.748 0.074 4.040 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.449 1.850 6.219 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.603 -0.391 5.334 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.456 0.494 6.409 1.00 0.00 C ATOM 0 H TRP A 132 4.910 3.692 -0.330 1.00 0.00 H new ATOM 0 HA TRP A 132 6.174 1.790 1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.357 2.321 0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.782 0.730 1.191 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.838 4.429 2.429 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.537 4.450 4.999 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.862 -0.616 3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.336 2.531 7.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.603 -1.455 5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.346 0.099 7.408 1.00 0.00 H new ATOM 741 N VAL A 133 6.374 -0.155 -0.003 1.00 0.00 N ATOM 742 CA VAL A 133 6.717 -1.208 -0.952 1.00 0.00 C ATOM 743 C VAL A 133 6.099 -2.536 -0.523 1.00 0.00 C ATOM 744 O VAL A 133 6.342 -3.013 0.586 1.00 0.00 O ATOM 745 CB VAL A 133 8.245 -1.367 -1.067 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.611 -2.361 -2.155 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.900 -0.026 -1.317 1.00 0.00 C ATOM 0 H VAL A 133 6.639 -0.357 0.961 1.00 0.00 H new ATOM 0 HA VAL A 133 6.318 -0.923 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 133 8.618 -1.759 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.696 -2.453 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.176 -3.333 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.224 -2.011 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.979 -0.157 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.518 0.398 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.676 0.648 -0.490 1.00 0.00 H new ATOM 757 N CYS A 134 5.297 -3.132 -1.404 1.00 0.00 N ATOM 758 CA CYS A 134 4.638 -4.397 -1.096 1.00 0.00 C ATOM 759 C CYS A 134 5.652 -5.482 -0.758 1.00 0.00 C ATOM 760 O CYS A 134 6.805 -5.436 -1.188 1.00 0.00 O ATOM 761 CB CYS A 134 3.756 -4.856 -2.260 1.00 0.00 C ATOM 762 SG CYS A 134 4.673 -5.416 -3.731 1.00 0.00 S ATOM 0 H CYS A 134 5.090 -2.761 -2.331 1.00 0.00 H new ATOM 0 HA CYS A 134 4.008 -4.228 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.116 -5.669 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.100 -4.034 -2.548 1.00 0.00 H new ATOM 0 HG CYS A 134 3.833 -5.783 -4.653 1.00 0.00 H new ATOM 767 N ASN A 135 5.199 -6.461 0.018 1.00 0.00 N ATOM 768 CA ASN A 135 6.039 -7.578 0.440 1.00 0.00 C ATOM 769 C ASN A 135 6.673 -8.295 -0.751 1.00 0.00 C ATOM 770 O ASN A 135 7.669 -9.003 -0.597 1.00 0.00 O ATOM 771 CB ASN A 135 5.214 -8.569 1.263 1.00 0.00 C ATOM 772 CG ASN A 135 4.731 -7.969 2.568 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.599 -6.751 2.692 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.462 -8.821 3.550 1.00 0.00 N ATOM 0 H ASN A 135 4.243 -6.503 0.371 1.00 0.00 H new ATOM 0 HA ASN A 135 6.845 -7.172 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.356 -8.899 0.677 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.816 -9.453 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 135 4.132 -8.474 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.585 -9.823 3.404 1.00 0.00 H new ATOM 781 N LEU A 136 6.104 -8.102 -1.935 1.00 0.00 N ATOM 782 CA LEU A 136 6.624 -8.742 -3.138 1.00 0.00 C ATOM 783 C LEU A 136 7.807 -7.960 -3.694 1.00 0.00 C ATOM 784 O LEU A 136 8.720 -8.532 -4.289 1.00 0.00 O ATOM 785 CB LEU A 136 5.524 -8.850 -4.196 1.00 0.00 C ATOM 786 CG LEU A 136 4.126 -9.136 -3.647 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.147 -9.404 -4.781 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.163 -10.304 -2.679 1.00 0.00 C ATOM 0 H LEU A 136 5.287 -7.511 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 136 6.964 -9.744 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.492 -7.919 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.791 -9.640 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 136 3.783 -8.255 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.158 -9.605 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.098 -8.532 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.483 -10.267 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.159 -10.493 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.529 -11.192 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.827 -10.067 -1.848 1.00 0.00 H new ATOM 800 N CYS A 137 7.785 -6.648 -3.495 1.00 0.00 N ATOM 801 CA CYS A 137 8.863 -5.787 -3.964 1.00 0.00 C ATOM 802 C CYS A 137 9.943 -5.662 -2.896 1.00 0.00 C ATOM 803 O CYS A 137 11.132 -5.582 -3.204 1.00 0.00 O ATOM 804 CB CYS A 137 8.322 -4.403 -4.330 1.00 0.00 C ATOM 805 SG CYS A 137 7.444 -4.347 -5.924 1.00 0.00 S ATOM 0 H CYS A 137 7.033 -6.157 -3.012 1.00 0.00 H new ATOM 0 HA CYS A 137 9.301 -6.237 -4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.646 -4.069 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.151 -3.696 -4.359 1.00 0.00 H new ATOM 0 HG CYS A 137 6.427 -3.543 -5.831 1.00 0.00 H new ATOM 810 N ARG A 138 9.515 -5.649 -1.638 1.00 0.00 N ATOM 811 CA ARG A 138 10.437 -5.541 -0.514 1.00 0.00 C ATOM 812 C ARG A 138 11.376 -6.743 -0.468 1.00 0.00 C ATOM 813 O ARG A 138 12.544 -6.617 -0.107 1.00 0.00 O ATOM 814 CB ARG A 138 9.659 -5.433 0.800 1.00 0.00 C ATOM 815 CG ARG A 138 10.545 -5.349 2.031 1.00 0.00 C ATOM 816 CD ARG A 138 9.717 -5.250 3.303 1.00 0.00 C ATOM 817 NE ARG A 138 10.553 -5.222 4.500 1.00 0.00 N ATOM 818 CZ ARG A 138 10.086 -4.964 5.718 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.796 -4.710 5.896 1.00 0.00 N ATOM 820 NH2 ARG A 138 10.908 -4.958 6.760 1.00 0.00 N ATOM 0 H ARG A 138 8.533 -5.712 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 138 11.035 -4.640 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.021 -4.550 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.002 -6.298 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.187 -6.229 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.199 -4.481 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.105 -4.349 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.034 -6.098 3.358 1.00 0.00 H new ATOM 0 HE ARG A 138 11.550 -5.411 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.161 -4.712 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.439 -4.512 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.901 -5.152 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.547 -4.760 7.693 1.00 0.00 H new ATOM 834 N LYS A 139 10.855 -7.909 -0.835 1.00 0.00 N ATOM 835 CA LYS A 139 11.650 -9.131 -0.840 1.00 0.00 C ATOM 836 C LYS A 139 12.312 -9.336 -2.198 1.00 0.00 C ATOM 837 O LYS A 139 13.399 -9.908 -2.290 1.00 0.00 O ATOM 838 CB LYS A 139 10.774 -10.337 -0.499 1.00 0.00 C ATOM 839 CG LYS A 139 10.291 -10.351 0.941 1.00 0.00 C ATOM 840 CD LYS A 139 9.363 -11.525 1.205 1.00 0.00 C ATOM 841 CE LYS A 139 8.986 -11.619 2.674 1.00 0.00 C ATOM 842 NZ LYS A 139 8.379 -10.355 3.173 1.00 0.00 N ATOM 0 H LYS A 139 9.887 -8.033 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 139 12.429 -9.034 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 139 9.910 -10.347 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 139 11.336 -11.250 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.148 -10.405 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 139 9.771 -9.418 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 139 8.461 -11.419 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.848 -12.450 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 139 8.284 -12.440 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 139 9.873 -11.853 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 7.983 -10.511 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 9.108 -9.615 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 7.621 -10.055 2.527 1.00 0.00 H new ATOM 856 N GLN A 140 11.649 -8.863 -3.247 1.00 0.00 N ATOM 857 CA GLN A 140 12.170 -8.987 -4.603 1.00 0.00 C ATOM 858 C GLN A 140 13.300 -7.991 -4.845 1.00 0.00 C ATOM 859 O GLN A 140 14.151 -8.203 -5.709 1.00 0.00 O ATOM 860 CB GLN A 140 11.052 -8.761 -5.624 1.00 0.00 C ATOM 861 CG GLN A 140 11.537 -8.764 -7.065 1.00 0.00 C ATOM 862 CD GLN A 140 10.452 -8.366 -8.047 1.00 0.00 C ATOM 863 OE1 GLN A 140 10.279 -7.187 -8.354 1.00 0.00 O ATOM 864 NE2 GLN A 140 9.715 -9.352 -8.547 1.00 0.00 N ATOM 0 H GLN A 140 10.748 -8.389 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 140 12.565 -9.996 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.297 -9.537 -5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.566 -7.808 -5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.379 -8.079 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.904 -9.758 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 140 9.893 -10.316 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.971 -9.145 -9.213 1.00 0.00 H new ATOM 873 N GLN A 141 13.304 -6.905 -4.076 1.00 0.00 N ATOM 874 CA GLN A 141 14.332 -5.878 -4.214 1.00 0.00 C ATOM 875 C GLN A 141 15.010 -5.591 -2.876 1.00 0.00 C ATOM 876 O GLN A 141 15.595 -4.525 -2.685 1.00 0.00 O ATOM 877 CB GLN A 141 13.723 -4.590 -4.770 1.00 0.00 C ATOM 878 CG GLN A 141 13.042 -4.766 -6.118 1.00 0.00 C ATOM 879 CD GLN A 141 12.521 -3.459 -6.680 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.088 -2.394 -6.437 1.00 0.00 O ATOM 881 NE2 GLN A 141 11.430 -3.533 -7.435 1.00 0.00 N ATOM 0 H GLN A 141 12.610 -6.714 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 141 15.085 -6.251 -4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.997 -4.204 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 141 14.508 -3.839 -4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 141 13.747 -5.205 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 141 12.215 -5.469 -6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.992 -4.437 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.031 -2.686 -7.839 1.00 0.00 H new ATOM 890 N GLU A 142 14.931 -6.545 -1.954 1.00 0.00 N ATOM 891 CA GLU A 142 15.538 -6.390 -0.636 1.00 0.00 C ATOM 892 C GLU A 142 15.156 -5.052 -0.010 1.00 0.00 C ATOM 893 O GLU A 142 15.871 -4.059 -0.257 1.00 0.00 O ATOM 894 CB GLU A 142 17.061 -6.500 -0.734 1.00 0.00 C ATOM 895 CG GLU A 142 17.773 -6.275 0.590 1.00 0.00 C ATOM 896 CD GLU A 142 17.340 -7.259 1.658 1.00 0.00 C ATOM 897 OE1 GLU A 142 17.899 -8.376 1.699 1.00 0.00 O ATOM 898 OE2 GLU A 142 16.441 -6.916 2.454 1.00 0.00 O ATOM 899 OXT GLU A 142 14.148 -5.008 0.725 1.00 0.00 O ATOM 0 H GLU A 142 14.452 -7.435 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 142 15.161 -7.190 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.322 -7.488 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.424 -5.773 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 142 18.849 -6.359 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.578 -5.260 0.936 1.00 0.00 H new