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 108 CYS SG : rot 128:sc= 1.95 USER MOD Set 1.2: A 111 CYS SG : rot 180:sc= 0.103 USER MOD Set 1.3: A 134 CYS SG : rot 180:sc= 0.823 USER MOD Set 1.4: A 137 CYS SG : rot 143:sc= 0.425 USER MOD Set 2.1: A 110 TYR OH : rot -115:sc= 1.07 USER MOD Set 2.2: A 141 GLN :FLIP amide:sc= 0.919 F(o=1.5,f=2) USER MOD Set 3.1: A 92 CYS SG : rot 143:sc= 1.83 USER MOD Set 3.2: A 95 CYS SG : rot -15:sc= 0.665 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= 0.559 USER MOD Set 3.5: A 119 CYS SG : rot 89:sc= -1.55 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.7!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 138:sc= -2.33 (180deg=-4.65!) USER MOD Single : A 106 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-7.7!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.136 F(o=-2.1,f=-0.14) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.0958 K(o=0.096,f=-0.68) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 153:sc= -0.269 (180deg=-1.22!) USER MOD Single : A 135 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.77) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.246 1.289 1.294 1.00 0.00 N ATOM 102 CA PRO A 90 -10.837 1.000 1.043 1.00 0.00 C ATOM 103 C PRO A 90 -10.525 -0.472 1.266 1.00 0.00 C ATOM 104 O PRO A 90 -10.837 -1.019 2.320 1.00 0.00 O ATOM 105 CB PRO A 90 -10.102 1.860 2.081 1.00 0.00 C ATOM 106 CG PRO A 90 -11.164 2.532 2.901 1.00 0.00 C ATOM 107 CD PRO A 90 -12.438 1.777 2.658 1.00 0.00 C ATOM 0 HA PRO A 90 -10.546 1.217 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.457 1.245 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.463 2.597 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.902 2.519 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.272 3.577 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.571 0.961 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.315 2.419 2.742 1.00 0.00 H new ATOM 115 N THR A 91 -9.890 -1.109 0.289 1.00 0.00 N ATOM 116 CA THR A 91 -9.579 -2.530 0.408 1.00 0.00 C ATOM 117 C THR A 91 -8.168 -2.870 -0.052 1.00 0.00 C ATOM 118 O THR A 91 -7.586 -2.197 -0.902 1.00 0.00 O ATOM 119 CB THR A 91 -10.572 -3.393 -0.388 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.828 -2.800 -1.666 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.875 -3.558 0.377 1.00 0.00 C ATOM 0 H THR A 91 -9.584 -0.674 -0.581 1.00 0.00 H new ATOM 0 HA THR A 91 -9.659 -2.753 1.472 1.00 0.00 H new ATOM 0 HB THR A 91 -10.129 -4.378 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.460 -3.358 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.563 -4.172 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.677 -4.042 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.321 -2.579 0.551 1.00 0.00 H new ATOM 129 N CYS A 92 -7.639 -3.937 0.534 1.00 0.00 N ATOM 130 CA CYS A 92 -6.310 -4.434 0.212 1.00 0.00 C ATOM 131 C CYS A 92 -6.334 -5.204 -1.110 1.00 0.00 C ATOM 132 O CYS A 92 -7.226 -6.022 -1.342 1.00 0.00 O ATOM 133 CB CYS A 92 -5.838 -5.340 1.347 1.00 0.00 C ATOM 134 SG CYS A 92 -4.170 -6.000 1.159 1.00 0.00 S ATOM 0 H CYS A 92 -8.122 -4.483 1.248 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.622 -3.596 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.887 -4.781 2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.534 -6.174 1.438 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.585 -6.038 2.319 1.00 0.00 H new ATOM 139 N GLY A 93 -5.352 -4.945 -1.971 1.00 0.00 N ATOM 140 CA GLY A 93 -5.293 -5.618 -3.260 1.00 0.00 C ATOM 141 C GLY A 93 -4.672 -7.005 -3.188 1.00 0.00 C ATOM 142 O GLY A 93 -4.401 -7.621 -4.219 1.00 0.00 O ATOM 0 H GLY A 93 -4.596 -4.282 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.301 -5.700 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.718 -5.006 -3.955 1.00 0.00 H new ATOM 146 N ILE A 94 -4.446 -7.495 -1.973 1.00 0.00 N ATOM 147 CA ILE A 94 -3.856 -8.809 -1.772 1.00 0.00 C ATOM 148 C ILE A 94 -4.846 -9.747 -1.087 1.00 0.00 C ATOM 149 O ILE A 94 -5.354 -10.685 -1.701 1.00 0.00 O ATOM 150 CB ILE A 94 -2.565 -8.710 -0.925 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.508 -7.911 -1.676 1.00 0.00 C ATOM 152 CG2 ILE A 94 -2.026 -10.090 -0.582 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.724 -6.415 -1.636 1.00 0.00 C ATOM 0 H ILE A 94 -4.665 -6.997 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.605 -9.212 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.810 -8.199 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.529 -8.138 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.491 -8.238 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.119 -9.989 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.774 -10.642 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.798 -10.630 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.930 -5.918 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.688 -6.174 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.710 -6.073 -0.601 1.00 0.00 H new ATOM 165 N CYS A 95 -5.112 -9.487 0.186 1.00 0.00 N ATOM 166 CA CYS A 95 -6.039 -10.310 0.953 1.00 0.00 C ATOM 167 C CYS A 95 -7.478 -9.806 0.828 1.00 0.00 C ATOM 168 O CYS A 95 -8.423 -10.518 1.166 1.00 0.00 O ATOM 169 CB CYS A 95 -5.619 -10.374 2.428 1.00 0.00 C ATOM 170 SG CYS A 95 -5.161 -8.769 3.164 1.00 0.00 S ATOM 0 H CYS A 95 -4.700 -8.714 0.709 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.002 -11.316 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.438 -10.802 3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.773 -11.055 2.521 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.963 -7.899 2.219 1.00 0.00 H new ATOM 175 N HIS A 96 -7.642 -8.578 0.335 1.00 0.00 N ATOM 176 CA HIS A 96 -8.967 -7.992 0.160 1.00 0.00 C ATOM 177 C HIS A 96 -9.770 -8.040 1.456 1.00 0.00 C ATOM 178 O HIS A 96 -10.999 -7.976 1.436 1.00 0.00 O ATOM 179 CB HIS A 96 -9.728 -8.720 -0.950 1.00 0.00 C ATOM 180 CG HIS A 96 -11.067 -8.122 -1.247 1.00 0.00 C ATOM 181 ND1 HIS A 96 -12.244 -8.608 -0.715 1.00 0.00 N ATOM 182 CD2 HIS A 96 -11.415 -7.071 -2.027 1.00 0.00 C ATOM 183 CE1 HIS A 96 -13.256 -7.882 -1.155 1.00 0.00 C ATOM 184 NE2 HIS A 96 -12.780 -6.943 -1.951 1.00 0.00 N ATOM 0 H HIS A 96 -6.873 -7.972 0.050 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.834 -6.947 -0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.126 -8.712 -1.858 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.860 -9.764 -0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.744 -6.450 -2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.296 -8.031 -0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.336 -6.236 -2.432 1.00 0.00 H new ATOM 193 N LYS A 97 -9.071 -8.146 2.581 1.00 0.00 N ATOM 194 CA LYS A 97 -9.724 -8.195 3.883 1.00 0.00 C ATOM 195 C LYS A 97 -9.514 -6.888 4.635 1.00 0.00 C ATOM 196 O LYS A 97 -10.472 -6.205 4.996 1.00 0.00 O ATOM 197 CB LYS A 97 -9.184 -9.366 4.709 1.00 0.00 C ATOM 198 CG LYS A 97 -9.595 -10.730 4.178 1.00 0.00 C ATOM 199 CD LYS A 97 -11.104 -10.909 4.210 1.00 0.00 C ATOM 200 CE LYS A 97 -11.652 -10.766 5.622 1.00 0.00 C ATOM 201 NZ LYS A 97 -13.128 -10.954 5.666 1.00 0.00 N ATOM 0 H LYS A 97 -8.053 -8.200 2.617 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.792 -8.340 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.096 -9.309 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.533 -9.266 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.235 -10.847 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.122 -11.511 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.573 -10.170 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.363 -11.891 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.173 -11.497 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.400 -9.780 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.462 -10.849 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.587 -10.240 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.367 -11.905 5.319 1.00 0.00 H new ATOM 215 N THR A 98 -8.252 -6.546 4.870 1.00 0.00 N ATOM 216 CA THR A 98 -7.911 -5.319 5.569 1.00 0.00 C ATOM 217 C THR A 98 -8.372 -4.100 4.773 1.00 0.00 C ATOM 218 O THR A 98 -7.862 -3.830 3.683 1.00 0.00 O ATOM 219 CB THR A 98 -6.390 -5.230 5.817 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.970 -6.304 6.666 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.011 -3.900 6.450 1.00 0.00 C ATOM 0 H THR A 98 -7.448 -7.105 4.584 1.00 0.00 H new ATOM 0 HA THR A 98 -8.424 -5.332 6.531 1.00 0.00 H new ATOM 0 HB THR A 98 -5.887 -5.306 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.004 -6.242 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.934 -3.868 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.303 -3.085 5.787 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.525 -3.792 7.405 1.00 0.00 H new ATOM 229 N LYS A 99 -9.346 -3.374 5.315 1.00 0.00 N ATOM 230 CA LYS A 99 -9.863 -2.186 4.658 1.00 0.00 C ATOM 231 C LYS A 99 -9.189 -0.938 5.214 1.00 0.00 C ATOM 232 O LYS A 99 -9.247 -0.673 6.414 1.00 0.00 O ATOM 233 CB LYS A 99 -11.380 -2.089 4.842 1.00 0.00 C ATOM 234 CG LYS A 99 -12.130 -3.317 4.351 1.00 0.00 C ATOM 235 CD LYS A 99 -13.606 -3.025 4.124 1.00 0.00 C ATOM 236 CE LYS A 99 -14.290 -2.534 5.393 1.00 0.00 C ATOM 237 NZ LYS A 99 -13.921 -1.128 5.720 1.00 0.00 N ATOM 0 H LYS A 99 -9.790 -3.591 6.207 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.644 -2.260 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.601 -1.936 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.747 -1.212 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.682 -3.669 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.027 -4.121 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.711 -2.274 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.104 -3.927 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.371 -2.606 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.018 -3.183 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.768 -0.610 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.214 -1.123 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.523 -0.668 4.876 1.00 0.00 H new ATOM 251 N PHE A 100 -8.549 -0.177 4.334 1.00 0.00 N ATOM 252 CA PHE A 100 -7.852 1.038 4.748 1.00 0.00 C ATOM 253 C PHE A 100 -8.805 2.003 5.444 1.00 0.00 C ATOM 254 O PHE A 100 -9.951 1.661 5.737 1.00 0.00 O ATOM 255 CB PHE A 100 -7.217 1.740 3.547 1.00 0.00 C ATOM 256 CG PHE A 100 -6.654 0.812 2.510 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.762 -0.189 2.860 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.999 0.961 1.177 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.226 -1.024 1.898 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.470 0.126 0.211 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.581 -0.866 0.572 1.00 0.00 C ATOM 0 H PHE A 100 -8.497 -0.377 3.335 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.069 0.741 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.966 2.378 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.420 2.393 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.483 -0.318 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.690 1.739 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.530 -1.799 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.752 0.250 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.163 -1.518 -0.181 1.00 0.00 H new ATOM 311 N GLY A 105 -5.046 3.679 1.762 1.00 0.00 N ATOM 312 CA GLY A 105 -4.188 2.585 2.182 1.00 0.00 C ATOM 313 C GLY A 105 -2.746 2.776 1.759 1.00 0.00 C ATOM 314 O GLY A 105 -2.338 3.878 1.391 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.234 2.489 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.565 1.652 1.763 1.00 0.00 H new ATOM 318 N HIS A 106 -1.975 1.696 1.812 1.00 0.00 N ATOM 319 CA HIS A 106 -0.573 1.734 1.419 1.00 0.00 C ATOM 320 C HIS A 106 -0.428 1.244 -0.014 1.00 0.00 C ATOM 321 O HIS A 106 -0.737 0.094 -0.317 1.00 0.00 O ATOM 322 CB HIS A 106 0.268 0.867 2.355 1.00 0.00 C ATOM 323 CG HIS A 106 0.030 1.150 3.805 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.465 2.303 4.427 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.607 0.429 4.758 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.107 2.276 5.698 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.545 1.150 5.924 1.00 0.00 N ATOM 0 H HIS A 106 -2.299 0.781 2.124 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.217 2.762 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.051 -0.183 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.323 1.022 2.131 1.00 0.00 H new ATOM 0 HD1 HIS A 106 0.982 3.058 3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.077 -0.534 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.313 3.044 6.429 1.00 0.00 H new ATOM 336 N ASN A 107 0.046 2.117 -0.889 1.00 0.00 N ATOM 337 CA ASN A 107 0.201 1.768 -2.295 1.00 0.00 C ATOM 338 C ASN A 107 1.662 1.523 -2.648 1.00 0.00 C ATOM 339 O ASN A 107 2.534 2.332 -2.335 1.00 0.00 O ATOM 340 CB ASN A 107 -0.380 2.877 -3.175 1.00 0.00 C ATOM 341 CG ASN A 107 -1.726 3.387 -2.674 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.475 2.539 -1.968 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.087 4.540 -2.915 1.00 0.00 N flip ATOM 0 H ASN A 107 0.329 3.068 -0.654 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.345 0.842 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.325 3.707 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.494 2.504 -4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.486 5.159 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.987 4.875 -2.571 1.00 0.00 H new ATOM 350 N CYS A 108 1.920 0.396 -3.306 1.00 0.00 N ATOM 351 CA CYS A 108 3.278 0.036 -3.701 1.00 0.00 C ATOM 352 C CYS A 108 3.920 1.153 -4.518 1.00 0.00 C ATOM 353 O CYS A 108 3.390 1.567 -5.546 1.00 0.00 O ATOM 354 CB CYS A 108 3.276 -1.256 -4.522 1.00 0.00 C ATOM 355 SG CYS A 108 4.924 -1.935 -4.831 1.00 0.00 S ATOM 0 H CYS A 108 1.208 -0.282 -3.576 1.00 0.00 H new ATOM 0 HA CYS A 108 3.858 -0.117 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.678 -2.004 -4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.788 -1.066 -5.478 1.00 0.00 H new ATOM 0 HG CYS A 108 4.955 -3.182 -4.466 1.00 0.00 H new ATOM 360 N SER A 109 5.068 1.633 -4.057 1.00 0.00 N ATOM 361 CA SER A 109 5.783 2.700 -4.746 1.00 0.00 C ATOM 362 C SER A 109 6.139 2.293 -6.174 1.00 0.00 C ATOM 363 O SER A 109 6.453 3.144 -7.006 1.00 0.00 O ATOM 364 CB SER A 109 7.055 3.066 -3.979 1.00 0.00 C ATOM 365 OG SER A 109 7.760 4.106 -4.630 1.00 0.00 O ATOM 0 H SER A 109 5.524 1.300 -3.208 1.00 0.00 H new ATOM 0 HA SER A 109 5.126 3.569 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.797 3.376 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.695 2.188 -3.890 1.00 0.00 H new ATOM 0 HG SER A 109 8.568 4.323 -4.120 1.00 0.00 H new ATOM 371 N TYR A 110 6.094 0.991 -6.453 1.00 0.00 N ATOM 372 CA TYR A 110 6.420 0.488 -7.783 1.00 0.00 C ATOM 373 C TYR A 110 5.166 0.034 -8.530 1.00 0.00 C ATOM 374 O TYR A 110 4.700 0.708 -9.448 1.00 0.00 O ATOM 375 CB TYR A 110 7.413 -0.672 -7.677 1.00 0.00 C ATOM 376 CG TYR A 110 8.699 -0.308 -6.967 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.676 0.446 -7.605 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.934 -0.717 -5.659 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.852 0.782 -6.961 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.107 -0.385 -5.009 1.00 0.00 C ATOM 381 CZ TYR A 110 11.062 0.364 -5.664 1.00 0.00 C ATOM 382 OH TYR A 110 12.231 0.697 -5.019 1.00 0.00 O ATOM 0 H TYR A 110 5.836 0.270 -5.779 1.00 0.00 H new ATOM 0 HA TYR A 110 6.873 1.303 -8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.938 -1.498 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.650 -1.029 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.514 0.775 -8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.188 -1.303 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.602 1.369 -7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.275 -0.710 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 110 12.747 -0.116 -4.836 1.00 0.00 H new ATOM 392 N CYS A 111 4.629 -1.115 -8.130 1.00 0.00 N ATOM 393 CA CYS A 111 3.436 -1.673 -8.761 1.00 0.00 C ATOM 394 C CYS A 111 2.245 -0.727 -8.639 1.00 0.00 C ATOM 395 O CYS A 111 1.317 -0.781 -9.444 1.00 0.00 O ATOM 396 CB CYS A 111 3.071 -3.015 -8.119 1.00 0.00 C ATOM 397 SG CYS A 111 4.490 -4.109 -7.795 1.00 0.00 S ATOM 0 H CYS A 111 5.003 -1.681 -7.368 1.00 0.00 H new ATOM 0 HA CYS A 111 3.665 -1.816 -9.817 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.553 -2.825 -7.179 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.369 -3.535 -8.770 1.00 0.00 H new ATOM 0 HG CYS A 111 4.071 -5.213 -7.251 1.00 0.00 H new ATOM 402 N GLN A 112 2.278 0.129 -7.621 1.00 0.00 N ATOM 403 CA GLN A 112 1.193 1.074 -7.371 1.00 0.00 C ATOM 404 C GLN A 112 -0.032 0.367 -6.783 1.00 0.00 C ATOM 405 O GLN A 112 -1.064 0.996 -6.551 1.00 0.00 O ATOM 406 CB GLN A 112 0.804 1.812 -8.657 1.00 0.00 C ATOM 407 CG GLN A 112 1.989 2.403 -9.403 1.00 0.00 C ATOM 408 CD GLN A 112 2.791 3.370 -8.554 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.251 4.028 -7.665 1.00 0.00 O ATOM 410 NE2 GLN A 112 4.088 3.461 -8.825 1.00 0.00 N ATOM 0 H GLN A 112 3.047 0.188 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 112 1.553 1.802 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.278 1.122 -9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.106 2.612 -8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.640 1.596 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.632 2.919 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.494 2.896 -9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.678 4.095 -8.287 1.00 0.00 H new ATOM 419 N THR A 113 0.084 -0.943 -6.539 1.00 0.00 N ATOM 420 CA THR A 113 -1.015 -1.713 -5.981 1.00 0.00 C ATOM 421 C THR A 113 -1.317 -1.283 -4.554 1.00 0.00 C ATOM 422 O THR A 113 -0.409 -0.988 -3.777 1.00 0.00 O ATOM 423 CB THR A 113 -0.713 -3.224 -5.993 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.446 -3.662 -7.330 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.883 -4.015 -5.422 1.00 0.00 C ATOM 0 H THR A 113 0.929 -1.484 -6.721 1.00 0.00 H new ATOM 0 HA THR A 113 -1.883 -1.519 -6.611 1.00 0.00 H new ATOM 0 HB THR A 113 0.165 -3.399 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.254 -4.623 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.647 -5.079 -5.441 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.067 -3.702 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.774 -3.831 -6.022 1.00 0.00 H new ATOM 433 N LYS A 114 -2.596 -1.249 -4.217 1.00 0.00 N ATOM 434 CA LYS A 114 -3.019 -0.862 -2.879 1.00 0.00 C ATOM 435 C LYS A 114 -2.988 -2.059 -1.940 1.00 0.00 C ATOM 436 O LYS A 114 -3.694 -3.045 -2.148 1.00 0.00 O ATOM 437 CB LYS A 114 -4.422 -0.258 -2.913 1.00 0.00 C ATOM 438 CG LYS A 114 -5.480 -1.211 -3.442 1.00 0.00 C ATOM 439 CD LYS A 114 -6.802 -0.500 -3.684 1.00 0.00 C ATOM 440 CE LYS A 114 -6.662 0.587 -4.737 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.976 1.193 -5.086 1.00 0.00 N ATOM 0 H LYS A 114 -3.360 -1.484 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.323 -0.109 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.698 0.056 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.408 0.638 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.133 -1.661 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.628 -2.023 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.553 -1.223 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.157 -0.062 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.990 1.363 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.206 0.167 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.838 1.930 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.609 0.457 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.400 1.616 -4.236 1.00 0.00 H new ATOM 455 N PHE A 115 -2.162 -1.965 -0.908 1.00 0.00 N ATOM 456 CA PHE A 115 -2.024 -3.041 0.063 1.00 0.00 C ATOM 457 C PHE A 115 -2.116 -2.517 1.491 1.00 0.00 C ATOM 458 O PHE A 115 -1.984 -1.318 1.738 1.00 0.00 O ATOM 459 CB PHE A 115 -0.702 -3.780 -0.141 1.00 0.00 C ATOM 460 CG PHE A 115 0.509 -2.891 -0.112 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.870 -2.220 1.046 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.291 -2.735 -1.244 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.990 -1.411 1.072 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.411 -1.926 -1.223 1.00 0.00 C ATOM 465 CZ PHE A 115 2.761 -1.266 -0.065 1.00 0.00 C ATOM 0 H PHE A 115 -1.575 -1.152 -0.721 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.848 -3.737 -0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.600 -4.540 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.734 -4.302 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.270 -2.331 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.022 -3.252 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.262 -0.893 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.012 -1.811 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.638 -0.636 -0.046 1.00 0.00 H new ATOM 475 N CYS A 116 -2.343 -3.432 2.427 1.00 0.00 N ATOM 476 CA CYS A 116 -2.457 -3.083 3.836 1.00 0.00 C ATOM 477 C CYS A 116 -1.084 -3.060 4.496 1.00 0.00 C ATOM 478 O CYS A 116 -0.089 -3.459 3.892 1.00 0.00 O ATOM 479 CB CYS A 116 -3.364 -4.081 4.561 1.00 0.00 C ATOM 480 SG CYS A 116 -2.786 -5.809 4.481 1.00 0.00 S ATOM 0 H CYS A 116 -2.452 -4.427 2.232 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.896 -2.088 3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.448 -3.786 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.365 -4.024 4.132 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.617 -6.575 5.123 1.00 0.00 H new ATOM 485 N ALA A 117 -1.037 -2.593 5.736 1.00 0.00 N ATOM 486 CA ALA A 117 0.216 -2.524 6.476 1.00 0.00 C ATOM 487 C ALA A 117 0.857 -3.905 6.618 1.00 0.00 C ATOM 488 O ALA A 117 2.044 -4.015 6.926 1.00 0.00 O ATOM 489 CB ALA A 117 -0.019 -1.907 7.847 1.00 0.00 C ATOM 0 H ALA A 117 -1.851 -2.257 6.251 1.00 0.00 H new ATOM 0 HA ALA A 117 0.905 -1.893 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.924 -1.860 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.420 -0.900 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.730 -2.518 8.404 1.00 0.00 H new ATOM 495 N ARG A 118 0.071 -4.957 6.391 1.00 0.00 N ATOM 496 CA ARG A 118 0.572 -6.323 6.503 1.00 0.00 C ATOM 497 C ARG A 118 1.040 -6.866 5.154 1.00 0.00 C ATOM 498 O ARG A 118 1.809 -7.827 5.101 1.00 0.00 O ATOM 499 CB ARG A 118 -0.510 -7.238 7.081 1.00 0.00 C ATOM 500 CG ARG A 118 -0.922 -6.874 8.499 1.00 0.00 C ATOM 501 CD ARG A 118 0.230 -7.042 9.476 1.00 0.00 C ATOM 502 NE ARG A 118 -0.156 -6.680 10.837 1.00 0.00 N ATOM 503 CZ ARG A 118 0.576 -6.962 11.910 1.00 0.00 C ATOM 504 NH1 ARG A 118 1.721 -7.619 11.781 1.00 0.00 N ATOM 505 NH2 ARG A 118 0.160 -6.592 13.113 1.00 0.00 N ATOM 0 H ARG A 118 -0.912 -4.888 6.129 1.00 0.00 H new ATOM 0 HA ARG A 118 1.430 -6.303 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.388 -7.201 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.149 -8.266 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.273 -5.842 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.757 -7.502 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.573 -8.076 9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.069 -6.422 9.159 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.036 -6.183 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 118 2.041 -7.909 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.281 -7.834 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.722 -6.091 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.722 -6.809 13.936 1.00 0.00 H new ATOM 519 N CYS A 119 0.582 -6.254 4.065 1.00 0.00 N ATOM 520 CA CYS A 119 0.971 -6.696 2.731 1.00 0.00 C ATOM 521 C CYS A 119 1.990 -5.746 2.110 1.00 0.00 C ATOM 522 O CYS A 119 2.123 -5.673 0.888 1.00 0.00 O ATOM 523 CB CYS A 119 -0.257 -6.805 1.826 1.00 0.00 C ATOM 524 SG CYS A 119 -1.309 -8.254 2.169 1.00 0.00 S ATOM 0 H CYS A 119 -0.054 -5.457 4.080 1.00 0.00 H new ATOM 0 HA CYS A 119 1.433 -7.679 2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.856 -5.901 1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.073 -6.847 0.788 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.200 -7.941 3.062 1.00 0.00 H new ATOM 529 N GLY A 120 2.712 -5.023 2.959 1.00 0.00 N ATOM 530 CA GLY A 120 3.714 -4.092 2.473 1.00 0.00 C ATOM 531 C GLY A 120 4.453 -3.392 3.597 1.00 0.00 C ATOM 532 O GLY A 120 4.203 -3.657 4.773 1.00 0.00 O ATOM 0 H GLY A 120 2.622 -5.065 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.431 -4.627 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.235 -3.346 1.839 1.00 0.00 H new ATOM 536 N GLY A 121 5.365 -2.495 3.234 1.00 0.00 N ATOM 537 CA GLY A 121 6.130 -1.769 4.232 1.00 0.00 C ATOM 538 C GLY A 121 6.447 -0.350 3.803 1.00 0.00 C ATOM 539 O GLY A 121 6.326 -0.008 2.626 1.00 0.00 O ATOM 0 H GLY A 121 5.588 -2.258 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.571 -1.746 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.060 -2.301 4.430 1.00 0.00 H new ATOM 543 N ARG A 122 6.851 0.480 4.761 1.00 0.00 N ATOM 544 CA ARG A 122 7.183 1.872 4.479 1.00 0.00 C ATOM 545 C ARG A 122 8.658 2.023 4.119 1.00 0.00 C ATOM 546 O ARG A 122 9.523 1.382 4.716 1.00 0.00 O ATOM 547 CB ARG A 122 6.853 2.750 5.687 1.00 0.00 C ATOM 548 CG ARG A 122 7.190 4.217 5.481 1.00 0.00 C ATOM 549 CD ARG A 122 6.942 5.029 6.741 1.00 0.00 C ATOM 550 NE ARG A 122 7.814 4.617 7.837 1.00 0.00 N ATOM 551 CZ ARG A 122 7.961 5.311 8.962 1.00 0.00 C ATOM 552 NH1 ARG A 122 7.296 6.446 9.137 1.00 0.00 N ATOM 553 NH2 ARG A 122 8.773 4.871 9.914 1.00 0.00 N ATOM 0 H ARG A 122 6.956 0.212 5.739 1.00 0.00 H new ATOM 0 HA ARG A 122 6.585 2.193 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.791 2.658 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.397 2.379 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.235 4.313 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.589 4.618 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.102 6.086 6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.901 4.918 7.045 1.00 0.00 H new ATOM 0 HE ARG A 122 8.340 3.749 7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.670 6.788 8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.411 6.976 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.286 3.999 9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.884 5.405 10.776 1.00 0.00 H new ATOM 700 N MET A 131 7.125 6.548 1.018 1.00 0.00 N ATOM 701 CA MET A 131 6.599 5.641 0.007 1.00 0.00 C ATOM 702 C MET A 131 6.594 4.214 0.531 1.00 0.00 C ATOM 703 O MET A 131 7.537 3.778 1.193 1.00 0.00 O ATOM 704 CB MET A 131 7.423 5.719 -1.276 1.00 0.00 C ATOM 705 CG MET A 131 7.533 7.124 -1.842 1.00 0.00 C ATOM 706 SD MET A 131 8.664 8.174 -0.909 1.00 0.00 S ATOM 707 CE MET A 131 10.189 7.246 -1.044 1.00 0.00 C ATOM 0 HA MET A 131 5.576 5.943 -0.219 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.424 5.336 -1.079 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.975 5.068 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.869 7.067 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 131 6.545 7.584 -1.853 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.037 7.926 -0.965 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.239 6.510 -0.242 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.221 6.736 -2.007 1.00 0.00 H new ATOM 717 N TRP A 132 5.528 3.494 0.227 1.00 0.00 N ATOM 718 CA TRP A 132 5.381 2.116 0.676 1.00 0.00 C ATOM 719 C TRP A 132 5.757 1.128 -0.423 1.00 0.00 C ATOM 720 O TRP A 132 5.631 1.424 -1.609 1.00 0.00 O ATOM 721 CB TRP A 132 3.947 1.869 1.142 1.00 0.00 C ATOM 722 CG TRP A 132 3.665 2.431 2.498 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.538 3.748 2.835 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.475 1.686 3.702 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.284 3.865 4.180 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.238 2.612 4.735 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.481 0.322 4.007 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.012 2.217 6.050 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.256 -0.070 5.313 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.022 0.875 6.320 1.00 0.00 C ATOM 0 H TRP A 132 4.748 3.840 -0.331 1.00 0.00 H new ATOM 0 HA TRP A 132 6.063 1.959 1.511 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.257 2.309 0.422 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.755 0.796 1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.624 4.575 2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.151 4.742 4.684 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.658 -0.413 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 2.835 2.943 6.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.261 -1.121 5.561 1.00 0.00 H new ATOM 0 HH2 TRP A 132 2.846 0.538 7.331 1.00 0.00 H new ATOM 741 N VAL A 133 6.222 -0.048 -0.014 1.00 0.00 N ATOM 742 CA VAL A 133 6.619 -1.087 -0.956 1.00 0.00 C ATOM 743 C VAL A 133 6.063 -2.445 -0.530 1.00 0.00 C ATOM 744 O VAL A 133 6.306 -2.900 0.587 1.00 0.00 O ATOM 745 CB VAL A 133 8.152 -1.174 -1.068 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.563 -2.194 -2.115 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.736 0.186 -1.382 1.00 0.00 C ATOM 0 H VAL A 133 6.333 -0.305 0.967 1.00 0.00 H new ATOM 0 HA VAL A 133 6.208 -0.821 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 133 8.547 -1.504 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.651 -2.236 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.176 -3.175 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.158 -1.904 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.821 0.108 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.331 0.546 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.478 0.885 -0.587 1.00 0.00 H new ATOM 757 N CYS A 134 5.314 -3.086 -1.425 1.00 0.00 N ATOM 758 CA CYS A 134 4.715 -4.386 -1.129 1.00 0.00 C ATOM 759 C CYS A 134 5.777 -5.422 -0.780 1.00 0.00 C ATOM 760 O CYS A 134 6.936 -5.308 -1.180 1.00 0.00 O ATOM 761 CB CYS A 134 3.872 -4.879 -2.309 1.00 0.00 C ATOM 762 SG CYS A 134 4.837 -5.354 -3.782 1.00 0.00 S ATOM 0 H CYS A 134 5.108 -2.728 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 134 4.067 -4.255 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.282 -5.736 -1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.168 -4.095 -2.589 1.00 0.00 H new ATOM 0 HG CYS A 134 4.030 -5.757 -4.718 1.00 0.00 H new ATOM 767 N ASN A 135 5.357 -6.437 -0.030 1.00 0.00 N ATOM 768 CA ASN A 135 6.246 -7.514 0.402 1.00 0.00 C ATOM 769 C ASN A 135 6.932 -8.200 -0.779 1.00 0.00 C ATOM 770 O ASN A 135 7.933 -8.895 -0.600 1.00 0.00 O ATOM 771 CB ASN A 135 5.464 -8.544 1.218 1.00 0.00 C ATOM 772 CG ASN A 135 4.858 -7.949 2.474 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.404 -7.009 3.053 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.725 -8.493 2.901 1.00 0.00 N ATOM 0 H ASN A 135 4.395 -6.537 0.295 1.00 0.00 H new ATOM 0 HA ASN A 135 7.023 -7.067 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.671 -8.966 0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 135 6.126 -9.365 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.271 -8.133 3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.308 -9.271 2.389 1.00 0.00 H new ATOM 781 N LEU A 136 6.397 -8.007 -1.982 1.00 0.00 N ATOM 782 CA LEU A 136 6.974 -8.621 -3.174 1.00 0.00 C ATOM 783 C LEU A 136 8.134 -7.782 -3.695 1.00 0.00 C ATOM 784 O LEU A 136 9.101 -8.309 -4.246 1.00 0.00 O ATOM 785 CB LEU A 136 5.911 -8.766 -4.263 1.00 0.00 C ATOM 786 CG LEU A 136 4.535 -9.200 -3.765 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.511 -9.116 -4.886 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.600 -10.612 -3.204 1.00 0.00 C ATOM 0 H LEU A 136 5.571 -7.435 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 136 7.345 -9.610 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.810 -7.812 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.261 -9.491 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 136 4.224 -8.524 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.536 -9.429 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.449 -8.089 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.813 -9.770 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.612 -10.910 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.929 -11.299 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.305 -10.641 -2.373 1.00 0.00 H new ATOM 800 N CYS A 137 8.025 -6.473 -3.519 1.00 0.00 N ATOM 801 CA CYS A 137 9.065 -5.550 -3.955 1.00 0.00 C ATOM 802 C CYS A 137 10.093 -5.348 -2.849 1.00 0.00 C ATOM 803 O CYS A 137 11.297 -5.303 -3.103 1.00 0.00 O ATOM 804 CB CYS A 137 8.452 -4.205 -4.348 1.00 0.00 C ATOM 805 SG CYS A 137 7.602 -4.212 -5.956 1.00 0.00 S ATOM 0 H CYS A 137 7.224 -6.024 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 137 9.563 -5.979 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.743 -3.903 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.240 -3.452 -4.370 1.00 0.00 H new ATOM 0 HG CYS A 137 6.545 -3.457 -5.892 1.00 0.00 H new ATOM 810 N ARG A 138 9.603 -5.226 -1.620 1.00 0.00 N ATOM 811 CA ARG A 138 10.466 -5.033 -0.463 1.00 0.00 C ATOM 812 C ARG A 138 11.379 -6.238 -0.265 1.00 0.00 C ATOM 813 O ARG A 138 12.517 -6.102 0.186 1.00 0.00 O ATOM 814 CB ARG A 138 9.618 -4.808 0.790 1.00 0.00 C ATOM 815 CG ARG A 138 10.435 -4.549 2.045 1.00 0.00 C ATOM 816 CD ARG A 138 9.538 -4.348 3.256 1.00 0.00 C ATOM 817 NE ARG A 138 10.307 -4.057 4.464 1.00 0.00 N ATOM 818 CZ ARG A 138 10.722 -2.838 4.800 1.00 0.00 C ATOM 819 NH1 ARG A 138 10.460 -1.801 4.014 1.00 0.00 N ATOM 820 NH2 ARG A 138 11.405 -2.656 5.921 1.00 0.00 N ATOM 0 H ARG A 138 8.607 -5.258 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 138 11.087 -4.154 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.952 -3.962 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.987 -5.682 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.108 -5.388 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.058 -3.666 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.844 -3.530 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.938 -5.244 3.415 1.00 0.00 H new ATOM 0 HE ARG A 138 10.539 -4.832 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.938 -1.936 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 138 10.780 -0.869 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.613 -3.450 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 138 11.723 -1.722 6.178 1.00 0.00 H new ATOM 834 N LYS A 139 10.871 -7.418 -0.607 1.00 0.00 N ATOM 835 CA LYS A 139 11.636 -8.651 -0.472 1.00 0.00 C ATOM 836 C LYS A 139 12.513 -8.880 -1.699 1.00 0.00 C ATOM 837 O LYS A 139 13.730 -9.024 -1.585 1.00 0.00 O ATOM 838 CB LYS A 139 10.694 -9.841 -0.273 1.00 0.00 C ATOM 839 CG LYS A 139 11.410 -11.179 -0.189 1.00 0.00 C ATOM 840 CD LYS A 139 10.446 -12.307 0.144 1.00 0.00 C ATOM 841 CE LYS A 139 9.321 -12.397 -0.874 1.00 0.00 C ATOM 842 NZ LYS A 139 8.361 -13.488 -0.547 1.00 0.00 N ATOM 0 H LYS A 139 9.930 -7.545 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 139 12.280 -8.558 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.118 -9.689 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.982 -9.871 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.903 -11.389 -1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.189 -11.129 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.987 -13.253 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 139 10.027 -12.148 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 139 8.790 -11.446 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 139 9.741 -12.568 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 7.609 -13.516 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 8.862 -14.399 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 7.940 -13.312 0.388 1.00 0.00 H new ATOM 856 N GLN A 140 11.885 -8.911 -2.870 1.00 0.00 N ATOM 857 CA GLN A 140 12.610 -9.121 -4.118 1.00 0.00 C ATOM 858 C GLN A 140 13.766 -8.135 -4.245 1.00 0.00 C ATOM 859 O GLN A 140 14.773 -8.425 -4.889 1.00 0.00 O ATOM 860 CB GLN A 140 11.668 -8.971 -5.314 1.00 0.00 C ATOM 861 CG GLN A 140 12.370 -9.105 -6.656 1.00 0.00 C ATOM 862 CD GLN A 140 11.433 -8.900 -7.829 1.00 0.00 C ATOM 863 OE1 GLN A 140 10.445 -8.173 -7.730 1.00 0.00 O ATOM 864 NE2 GLN A 140 11.742 -9.538 -8.952 1.00 0.00 N ATOM 0 H GLN A 140 10.878 -8.794 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 140 13.014 -10.133 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.883 -9.725 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.180 -7.998 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 140 13.180 -8.378 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.824 -10.094 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 140 12.571 -10.131 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 140 11.150 -9.435 -9.776 1.00 0.00 H new ATOM 873 N GLN A 141 13.612 -6.967 -3.630 1.00 0.00 N ATOM 874 CA GLN A 141 14.645 -5.940 -3.673 1.00 0.00 C ATOM 875 C GLN A 141 15.753 -6.213 -2.653 1.00 0.00 C ATOM 876 O GLN A 141 16.770 -5.521 -2.633 1.00 0.00 O ATOM 877 CB GLN A 141 14.029 -4.561 -3.423 1.00 0.00 C ATOM 878 CG GLN A 141 15.028 -3.418 -3.509 1.00 0.00 C ATOM 879 CD GLN A 141 14.387 -2.067 -3.260 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.905 -1.435 -4.323 1.00 0.00 O flip ATOM 881 NE2 GLN A 141 14.324 -1.597 -2.123 1.00 0.00 N flip ATOM 0 H GLN A 141 12.782 -6.709 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 141 15.093 -5.960 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 141 13.234 -4.392 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.566 -4.553 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.823 -3.579 -2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.493 -3.420 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 141 14.708 -2.117 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.888 -0.687 -1.971 1.00 0.00 H new ATOM 890 N GLU A 142 15.556 -7.225 -1.813 1.00 0.00 N ATOM 891 CA GLU A 142 16.544 -7.577 -0.799 1.00 0.00 C ATOM 892 C GLU A 142 16.838 -9.075 -0.818 1.00 0.00 C ATOM 893 O GLU A 142 17.750 -9.489 -1.565 1.00 0.00 O ATOM 894 CB GLU A 142 16.052 -7.161 0.588 1.00 0.00 C ATOM 895 CG GLU A 142 15.920 -5.656 0.758 1.00 0.00 C ATOM 896 CD GLU A 142 17.241 -4.933 0.585 1.00 0.00 C ATOM 897 OE1 GLU A 142 17.994 -4.827 1.576 1.00 0.00 O ATOM 898 OE2 GLU A 142 17.523 -4.474 -0.542 1.00 0.00 O ATOM 899 OXT GLU A 142 16.154 -9.821 -0.086 1.00 0.00 O ATOM 0 H GLU A 142 14.723 -7.814 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 142 17.466 -7.042 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 142 15.084 -7.626 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 142 16.742 -7.545 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 142 15.203 -5.273 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.518 -5.439 1.748 1.00 0.00 H new