USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=19 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 130:sc= 2.5 USER MOD Set 1.2: A 111 CYS SG : rot -16:sc= 2.06 USER MOD Set 1.3: A 113 THR OG1 : rot 77:sc= 1.31 USER MOD Set 1.4: A 134 CYS SG : rot 180:sc= 0.862 USER MOD Set 1.5: A 137 CYS SG : rot 141:sc= 0.22 USER MOD Set 2.1: A 110 TYR OH : rot -135:sc= 1 USER MOD Set 2.2: A 141 GLN : amide:sc= 0.764 K(o=1.8,f=0.23) USER MOD Set 3.1: A 92 CYS SG : rot 133:sc= 1.46 USER MOD Set 3.2: A 95 CYS SG : rot 67:sc= 0.554 USER MOD Set 3.3: A 116 CYS SG : rot 180:sc= 0.792 USER MOD Set 3.4: A 119 CYS SG : rot 87:sc= -2.61 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.023) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -125:sc= -0.454 (180deg=-0.68) USER MOD Single : A 106 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-5.3!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.137 F(o=-1.9,f=-0.14) USER MOD Single : A 109 SER OG : rot -17:sc= 0.242 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.56! C(o=-3.9!,f=-2.6!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 156:sc= -0.212 (180deg=-0.886) USER MOD Single : A 135 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.9) USER MOD Single : A 139 LYS NZ :NH3+ 165:sc= -0.0363 (180deg=-0.324) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -11.982 1.267 0.218 1.00 0.00 N ATOM 102 CA PRO A 90 -10.583 0.900 0.065 1.00 0.00 C ATOM 103 C PRO A 90 -10.353 -0.554 0.451 1.00 0.00 C ATOM 104 O PRO A 90 -10.810 -0.994 1.502 1.00 0.00 O ATOM 105 CB PRO A 90 -9.859 1.845 1.034 1.00 0.00 C ATOM 106 CG PRO A 90 -10.924 2.538 1.833 1.00 0.00 C ATOM 107 CD PRO A 90 -12.223 1.838 1.541 1.00 0.00 C ATOM 0 HA PRO A 90 -10.231 0.991 -0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.185 1.289 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.251 2.568 0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.695 2.496 2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.985 3.592 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.445 1.069 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.065 2.530 1.537 1.00 0.00 H new ATOM 115 N THR A 91 -9.642 -1.295 -0.390 1.00 0.00 N ATOM 116 CA THR A 91 -9.391 -2.706 -0.117 1.00 0.00 C ATOM 117 C THR A 91 -7.954 -3.118 -0.411 1.00 0.00 C ATOM 118 O THR A 91 -7.306 -2.581 -1.310 1.00 0.00 O ATOM 119 CB THR A 91 -10.337 -3.605 -0.930 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.505 -3.076 -2.251 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.689 -3.723 -0.245 1.00 0.00 C ATOM 0 H THR A 91 -9.233 -0.948 -1.258 1.00 0.00 H new ATOM 0 HA THR A 91 -9.574 -2.837 0.949 1.00 0.00 H new ATOM 0 HB THR A 91 -9.893 -4.598 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.108 -3.656 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.342 -4.363 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.558 -4.156 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.137 -2.734 -0.152 1.00 0.00 H new ATOM 129 N CYS A 92 -7.471 -4.083 0.366 1.00 0.00 N ATOM 130 CA CYS A 92 -6.123 -4.613 0.206 1.00 0.00 C ATOM 131 C CYS A 92 -6.022 -5.413 -1.090 1.00 0.00 C ATOM 132 O CYS A 92 -6.927 -6.177 -1.426 1.00 0.00 O ATOM 133 CB CYS A 92 -5.780 -5.509 1.403 1.00 0.00 C ATOM 134 SG CYS A 92 -4.081 -6.135 1.420 1.00 0.00 S ATOM 0 H CYS A 92 -8.002 -4.517 1.121 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.416 -3.785 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.955 -4.948 2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.465 -6.357 1.412 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.570 -5.972 2.604 1.00 0.00 H new ATOM 139 N GLY A 93 -4.918 -5.241 -1.815 1.00 0.00 N ATOM 140 CA GLY A 93 -4.729 -5.971 -3.057 1.00 0.00 C ATOM 141 C GLY A 93 -4.104 -7.338 -2.840 1.00 0.00 C ATOM 142 O GLY A 93 -3.621 -7.966 -3.783 1.00 0.00 O ATOM 0 H GLY A 93 -4.155 -4.612 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.692 -6.090 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.095 -5.387 -3.725 1.00 0.00 H new ATOM 146 N ILE A 94 -4.113 -7.798 -1.593 1.00 0.00 N ATOM 147 CA ILE A 94 -3.544 -9.083 -1.237 1.00 0.00 C ATOM 148 C ILE A 94 -4.580 -9.957 -0.534 1.00 0.00 C ATOM 149 O ILE A 94 -4.871 -11.070 -0.972 1.00 0.00 O ATOM 150 CB ILE A 94 -2.320 -8.890 -0.319 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.223 -8.127 -1.055 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.794 -10.228 0.172 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.385 -6.621 -1.007 1.00 0.00 C ATOM 0 H ILE A 94 -4.515 -7.288 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.230 -9.580 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.632 -8.309 0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.258 -8.393 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.207 -8.448 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.931 -10.065 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.575 -10.742 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.499 -10.838 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.567 -6.150 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.334 -6.342 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.370 -6.286 0.030 1.00 0.00 H new ATOM 165 N CYS A 95 -5.131 -9.441 0.558 1.00 0.00 N ATOM 166 CA CYS A 95 -6.135 -10.167 1.326 1.00 0.00 C ATOM 167 C CYS A 95 -7.527 -9.914 0.760 1.00 0.00 C ATOM 168 O CYS A 95 -8.429 -10.739 0.902 1.00 0.00 O ATOM 169 CB CYS A 95 -6.108 -9.740 2.799 1.00 0.00 C ATOM 170 SG CYS A 95 -4.474 -9.213 3.411 1.00 0.00 S ATOM 0 H CYS A 95 -4.899 -8.521 0.932 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.901 -11.229 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.814 -8.921 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.459 -10.571 3.410 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.125 -8.109 2.820 1.00 0.00 H new ATOM 175 N HIS A 96 -7.689 -8.763 0.114 1.00 0.00 N ATOM 176 CA HIS A 96 -8.972 -8.384 -0.465 1.00 0.00 C ATOM 177 C HIS A 96 -10.041 -8.291 0.619 1.00 0.00 C ATOM 178 O HIS A 96 -11.235 -8.400 0.338 1.00 0.00 O ATOM 179 CB HIS A 96 -9.399 -9.392 -1.532 1.00 0.00 C ATOM 180 CG HIS A 96 -8.407 -9.549 -2.642 1.00 0.00 C ATOM 181 ND1 HIS A 96 -8.503 -8.872 -3.840 1.00 0.00 N ATOM 182 CD2 HIS A 96 -7.295 -10.316 -2.734 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.494 -9.216 -4.620 1.00 0.00 C ATOM 184 NE2 HIS A 96 -6.746 -10.090 -3.972 1.00 0.00 N ATOM 0 H HIS A 96 -6.947 -8.077 -0.021 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.858 -7.406 -0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.559 -10.361 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.355 -9.080 -1.952 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.911 -10.982 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.312 -8.845 -5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -5.898 -10.527 -4.333 1.00 0.00 H new ATOM 193 N LYS A 97 -9.605 -8.087 1.860 1.00 0.00 N ATOM 194 CA LYS A 97 -10.523 -7.984 2.988 1.00 0.00 C ATOM 195 C LYS A 97 -10.210 -6.749 3.827 1.00 0.00 C ATOM 196 O LYS A 97 -11.109 -5.995 4.200 1.00 0.00 O ATOM 197 CB LYS A 97 -10.439 -9.243 3.852 1.00 0.00 C ATOM 198 CG LYS A 97 -11.403 -9.243 5.029 1.00 0.00 C ATOM 199 CD LYS A 97 -11.274 -10.516 5.850 1.00 0.00 C ATOM 200 CE LYS A 97 -12.250 -10.533 7.015 1.00 0.00 C ATOM 201 NZ LYS A 97 -12.132 -11.780 7.820 1.00 0.00 N ATOM 0 H LYS A 97 -8.620 -7.990 2.108 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.537 -7.888 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.640 -10.114 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.421 -9.348 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.207 -8.378 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.425 -9.145 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.454 -11.381 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.255 -10.605 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.067 -9.669 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.268 -10.440 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.814 -11.753 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.331 -12.603 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.168 -11.857 8.202 1.00 0.00 H new ATOM 215 N THR A 98 -8.930 -6.551 4.123 1.00 0.00 N ATOM 216 CA THR A 98 -8.491 -5.408 4.912 1.00 0.00 C ATOM 217 C THR A 98 -8.800 -4.103 4.182 1.00 0.00 C ATOM 218 O THR A 98 -8.198 -3.803 3.151 1.00 0.00 O ATOM 219 CB THR A 98 -6.979 -5.494 5.214 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.712 -6.630 6.045 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.472 -4.231 5.899 1.00 0.00 C ATOM 0 H THR A 98 -8.176 -7.171 3.826 1.00 0.00 H new ATOM 0 HA THR A 98 -9.036 -5.424 5.856 1.00 0.00 H new ATOM 0 HB THR A 98 -6.455 -5.598 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.751 -6.680 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.404 -4.328 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.645 -3.371 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.003 -4.089 6.840 1.00 0.00 H new ATOM 229 N LYS A 99 -9.737 -3.329 4.722 1.00 0.00 N ATOM 230 CA LYS A 99 -10.118 -2.066 4.116 1.00 0.00 C ATOM 231 C LYS A 99 -9.330 -0.915 4.732 1.00 0.00 C ATOM 232 O LYS A 99 -9.282 -0.765 5.952 1.00 0.00 O ATOM 233 CB LYS A 99 -11.620 -1.826 4.289 1.00 0.00 C ATOM 234 CG LYS A 99 -12.459 -3.085 4.140 1.00 0.00 C ATOM 235 CD LYS A 99 -13.946 -2.778 4.220 1.00 0.00 C ATOM 236 CE LYS A 99 -14.427 -2.025 2.990 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.267 -2.831 1.747 1.00 0.00 N ATOM 0 H LYS A 99 -10.244 -3.558 5.577 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.888 -2.113 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.799 -1.394 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.949 -1.091 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.236 -3.561 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.191 -3.796 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.506 -3.708 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.149 -2.186 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.476 -1.756 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.869 -1.094 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.709 -2.293 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.776 -3.720 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.204 -3.043 1.348 1.00 0.00 H new ATOM 251 N PHE A 100 -8.713 -0.106 3.878 1.00 0.00 N ATOM 252 CA PHE A 100 -7.919 1.029 4.341 1.00 0.00 C ATOM 253 C PHE A 100 -8.785 2.029 5.104 1.00 0.00 C ATOM 254 O PHE A 100 -9.193 3.054 4.559 1.00 0.00 O ATOM 255 CB PHE A 100 -7.238 1.731 3.164 1.00 0.00 C ATOM 256 CG PHE A 100 -6.632 0.790 2.162 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.820 -0.256 2.572 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.868 0.958 0.807 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.257 -1.116 1.649 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.308 0.101 -0.120 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.501 -0.937 0.301 1.00 0.00 C ATOM 0 H PHE A 100 -8.746 -0.213 2.864 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.154 0.643 5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.968 2.363 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.458 2.389 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.625 -0.400 3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.498 1.769 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.627 -1.928 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.501 0.243 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.061 -1.608 -0.422 1.00 0.00 H new ATOM 311 N GLY A 105 -5.200 3.354 1.802 1.00 0.00 N ATOM 312 CA GLY A 105 -4.194 2.754 2.660 1.00 0.00 C ATOM 313 C GLY A 105 -2.787 2.957 2.137 1.00 0.00 C ATOM 314 O GLY A 105 -2.408 4.067 1.764 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.272 3.182 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.392 1.686 2.755 1.00 0.00 H new ATOM 318 N HIS A 106 -2.014 1.880 2.110 1.00 0.00 N ATOM 319 CA HIS A 106 -0.641 1.935 1.625 1.00 0.00 C ATOM 320 C HIS A 106 -0.577 1.498 0.167 1.00 0.00 C ATOM 321 O HIS A 106 -1.066 0.426 -0.190 1.00 0.00 O ATOM 322 CB HIS A 106 0.263 1.042 2.480 1.00 0.00 C ATOM 323 CG HIS A 106 0.149 1.307 3.949 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.912 2.249 4.608 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.646 0.745 4.891 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.591 2.254 5.890 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.351 1.352 6.087 1.00 0.00 N ATOM 0 H HIS A 106 -2.315 0.956 2.419 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.290 2.964 1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.016 -0.002 2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.299 1.187 2.172 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.614 2.848 4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.376 -0.035 4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.026 2.889 6.648 1.00 0.00 H new ATOM 336 N ASN A 107 0.026 2.332 -0.675 1.00 0.00 N ATOM 337 CA ASN A 107 0.131 2.028 -2.095 1.00 0.00 C ATOM 338 C ASN A 107 1.576 1.764 -2.496 1.00 0.00 C ATOM 339 O ASN A 107 2.469 2.565 -2.218 1.00 0.00 O ATOM 340 CB ASN A 107 -0.447 3.174 -2.926 1.00 0.00 C ATOM 341 CG ASN A 107 -1.827 3.606 -2.455 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.620 2.658 -1.962 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.179 4.782 -2.538 1.00 0.00 N flip ATOM 0 H ASN A 107 0.447 3.219 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.444 1.123 -2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.231 4.027 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.504 2.867 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.541 5.479 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.108 5.060 -2.223 1.00 0.00 H new ATOM 350 N CYS A 108 1.791 0.629 -3.150 1.00 0.00 N ATOM 351 CA CYS A 108 3.118 0.235 -3.598 1.00 0.00 C ATOM 352 C CYS A 108 3.758 1.319 -4.458 1.00 0.00 C ATOM 353 O CYS A 108 3.195 1.744 -5.464 1.00 0.00 O ATOM 354 CB CYS A 108 3.028 -1.058 -4.402 1.00 0.00 C ATOM 355 SG CYS A 108 4.624 -1.804 -4.790 1.00 0.00 S ATOM 0 H CYS A 108 1.056 -0.039 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 108 3.739 0.084 -2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.430 -1.778 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.498 -0.857 -5.333 1.00 0.00 H new ATOM 0 HG CYS A 108 4.603 -3.064 -4.472 1.00 0.00 H new ATOM 360 N SER A 109 4.942 1.758 -4.052 1.00 0.00 N ATOM 361 CA SER A 109 5.673 2.786 -4.783 1.00 0.00 C ATOM 362 C SER A 109 6.064 2.312 -6.183 1.00 0.00 C ATOM 363 O SER A 109 6.487 3.113 -7.018 1.00 0.00 O ATOM 364 CB SER A 109 6.925 3.190 -4.005 1.00 0.00 C ATOM 365 OG SER A 109 7.654 4.190 -4.694 1.00 0.00 O ATOM 0 H SER A 109 5.419 1.417 -3.217 1.00 0.00 H new ATOM 0 HA SER A 109 5.015 3.648 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.641 3.557 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.558 2.316 -3.850 1.00 0.00 H new ATOM 0 HG SER A 109 7.360 4.224 -5.628 1.00 0.00 H new ATOM 371 N TYR A 110 5.927 1.012 -6.441 1.00 0.00 N ATOM 372 CA TYR A 110 6.290 0.453 -7.738 1.00 0.00 C ATOM 373 C TYR A 110 5.066 0.172 -8.613 1.00 0.00 C ATOM 374 O TYR A 110 4.752 0.949 -9.514 1.00 0.00 O ATOM 375 CB TYR A 110 7.103 -0.828 -7.548 1.00 0.00 C ATOM 376 CG TYR A 110 8.452 -0.597 -6.902 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.571 -0.302 -7.672 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.608 -0.674 -5.522 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.805 -0.092 -7.089 1.00 0.00 C ATOM 380 CE2 TYR A 110 9.841 -0.464 -4.932 1.00 0.00 C ATOM 381 CZ TYR A 110 10.935 -0.173 -5.719 1.00 0.00 C ATOM 382 OH TYR A 110 12.163 0.037 -5.134 1.00 0.00 O ATOM 0 H TYR A 110 5.569 0.331 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 110 6.894 1.199 -8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.530 -1.525 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.250 -1.303 -8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.474 -0.236 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.753 -0.901 -4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.664 0.135 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.947 -0.528 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 110 12.325 -0.653 -4.457 1.00 0.00 H new ATOM 392 N CYS A 111 4.381 -0.940 -8.352 1.00 0.00 N ATOM 393 CA CYS A 111 3.208 -1.310 -9.143 1.00 0.00 C ATOM 394 C CYS A 111 1.951 -0.545 -8.716 1.00 0.00 C ATOM 395 O CYS A 111 0.859 -0.809 -9.220 1.00 0.00 O ATOM 396 CB CYS A 111 2.962 -2.822 -9.075 1.00 0.00 C ATOM 397 SG CYS A 111 3.013 -3.528 -7.396 1.00 0.00 S ATOM 0 H CYS A 111 4.615 -1.595 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 111 3.421 -1.031 -10.175 1.00 0.00 H new ATOM 0 HB2 CYS A 111 1.989 -3.038 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.709 -3.326 -9.689 1.00 0.00 H new ATOM 0 HG CYS A 111 3.583 -2.684 -6.588 1.00 0.00 H new ATOM 402 N GLN A 112 2.101 0.400 -7.788 1.00 0.00 N ATOM 403 CA GLN A 112 0.970 1.203 -7.326 1.00 0.00 C ATOM 404 C GLN A 112 -0.134 0.345 -6.710 1.00 0.00 C ATOM 405 O GLN A 112 -1.256 0.814 -6.520 1.00 0.00 O ATOM 406 CB GLN A 112 0.398 2.021 -8.485 1.00 0.00 C ATOM 407 CG GLN A 112 1.275 3.191 -8.899 1.00 0.00 C ATOM 408 CD GLN A 112 2.688 2.770 -9.252 1.00 0.00 C ATOM 409 OE1 GLN A 112 3.581 2.812 -8.270 1.00 0.00 O flip ATOM 410 NE2 GLN A 112 2.975 2.418 -10.397 1.00 0.00 N flip ATOM 0 H GLN A 112 2.990 0.627 -7.343 1.00 0.00 H new ATOM 0 HA GLN A 112 1.344 1.870 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.253 1.366 -9.344 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.585 2.398 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.825 3.691 -9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.309 3.918 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.256 2.401 -11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.931 2.144 -10.622 1.00 0.00 H new ATOM 419 N THR A 113 0.179 -0.909 -6.399 1.00 0.00 N ATOM 420 CA THR A 113 -0.802 -1.807 -5.806 1.00 0.00 C ATOM 421 C THR A 113 -1.207 -1.335 -4.416 1.00 0.00 C ATOM 422 O THR A 113 -0.358 -0.988 -3.596 1.00 0.00 O ATOM 423 CB THR A 113 -0.264 -3.247 -5.704 1.00 0.00 C ATOM 424 OG1 THR A 113 0.108 -3.723 -7.003 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.310 -4.175 -5.099 1.00 0.00 C ATOM 0 H THR A 113 1.099 -1.323 -6.547 1.00 0.00 H new ATOM 0 HA THR A 113 -1.672 -1.798 -6.463 1.00 0.00 H new ATOM 0 HB THR A 113 0.611 -3.240 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.967 -3.329 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 113 -0.907 -5.186 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.571 -3.827 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.201 -4.177 -5.727 1.00 0.00 H new ATOM 433 N LYS A 114 -2.511 -1.322 -4.158 1.00 0.00 N ATOM 434 CA LYS A 114 -3.024 -0.902 -2.860 1.00 0.00 C ATOM 435 C LYS A 114 -2.993 -2.068 -1.883 1.00 0.00 C ATOM 436 O LYS A 114 -3.706 -3.053 -2.058 1.00 0.00 O ATOM 437 CB LYS A 114 -4.452 -0.377 -2.989 1.00 0.00 C ATOM 438 CG LYS A 114 -4.600 0.755 -3.993 1.00 0.00 C ATOM 439 CD LYS A 114 -6.037 1.249 -4.064 1.00 0.00 C ATOM 440 CE LYS A 114 -6.164 2.466 -4.967 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.566 2.965 -5.031 1.00 0.00 N ATOM 0 H LYS A 114 -3.229 -1.597 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.389 -0.100 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.106 -1.198 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.792 -0.031 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.944 1.579 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.282 0.414 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.679 0.451 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.387 1.500 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.512 3.259 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.823 2.211 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.611 3.795 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.184 2.217 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.883 3.233 -4.077 1.00 0.00 H new ATOM 455 N PHE A 115 -2.165 -1.953 -0.855 1.00 0.00 N ATOM 456 CA PHE A 115 -2.041 -3.009 0.142 1.00 0.00 C ATOM 457 C PHE A 115 -2.136 -2.451 1.555 1.00 0.00 C ATOM 458 O PHE A 115 -1.993 -1.248 1.775 1.00 0.00 O ATOM 459 CB PHE A 115 -0.725 -3.767 -0.037 1.00 0.00 C ATOM 460 CG PHE A 115 0.496 -2.894 0.013 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.916 -2.334 1.209 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.229 -2.640 -1.134 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.046 -1.539 1.259 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.357 -1.846 -1.091 1.00 0.00 C ATOM 465 CZ PHE A 115 2.767 -1.296 0.106 1.00 0.00 C ATOM 0 H PHE A 115 -1.570 -1.142 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.870 -3.701 -0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.647 -4.527 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.746 -4.290 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.354 -2.521 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.914 -3.069 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.364 -1.109 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.918 -1.655 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.651 -0.676 0.142 1.00 0.00 H new ATOM 475 N CYS A 116 -2.376 -3.343 2.509 1.00 0.00 N ATOM 476 CA CYS A 116 -2.500 -2.961 3.909 1.00 0.00 C ATOM 477 C CYS A 116 -1.130 -2.920 4.580 1.00 0.00 C ATOM 478 O CYS A 116 -0.143 -3.409 4.029 1.00 0.00 O ATOM 479 CB CYS A 116 -3.421 -3.939 4.643 1.00 0.00 C ATOM 480 SG CYS A 116 -2.767 -5.635 4.763 1.00 0.00 S ATOM 0 H CYS A 116 -2.489 -4.342 2.336 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.935 -1.963 3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.606 -3.561 5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.383 -3.968 4.131 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.617 -6.384 5.401 1.00 0.00 H new ATOM 485 N ALA A 117 -1.078 -2.345 5.775 1.00 0.00 N ATOM 486 CA ALA A 117 0.173 -2.230 6.519 1.00 0.00 C ATOM 487 C ALA A 117 0.838 -3.589 6.741 1.00 0.00 C ATOM 488 O ALA A 117 2.026 -3.658 7.054 1.00 0.00 O ATOM 489 CB ALA A 117 -0.073 -1.541 7.853 1.00 0.00 C ATOM 0 H ALA A 117 -1.889 -1.950 6.252 1.00 0.00 H new ATOM 0 HA ALA A 117 0.856 -1.628 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.867 -1.460 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.478 -0.544 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.784 -2.124 8.438 1.00 0.00 H new ATOM 495 N ARG A 118 0.074 -4.665 6.578 1.00 0.00 N ATOM 496 CA ARG A 118 0.605 -6.011 6.776 1.00 0.00 C ATOM 497 C ARG A 118 1.101 -6.629 5.470 1.00 0.00 C ATOM 498 O ARG A 118 1.815 -7.632 5.488 1.00 0.00 O ATOM 499 CB ARG A 118 -0.462 -6.908 7.405 1.00 0.00 C ATOM 500 CG ARG A 118 -1.017 -6.364 8.711 1.00 0.00 C ATOM 501 CD ARG A 118 0.059 -6.286 9.782 1.00 0.00 C ATOM 502 NE ARG A 118 -0.417 -5.612 10.988 1.00 0.00 N ATOM 503 CZ ARG A 118 -0.355 -4.296 11.177 1.00 0.00 C ATOM 504 NH1 ARG A 118 0.140 -3.502 10.235 1.00 0.00 N ATOM 505 NH2 ARG A 118 -0.799 -3.769 12.310 1.00 0.00 N ATOM 0 H ARG A 118 -0.910 -4.633 6.311 1.00 0.00 H new ATOM 0 HA ARG A 118 1.459 -5.930 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.281 -7.037 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.036 -7.895 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.439 -5.373 8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.830 -7.002 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.391 -7.293 10.036 1.00 0.00 H new ATOM 0 HD3 ARG A 118 0.925 -5.755 9.388 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.821 -6.184 11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 118 0.477 -3.899 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 118 0.184 -2.495 10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -1.187 -4.372 13.035 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -0.752 -2.761 12.456 1.00 0.00 H new ATOM 519 N CYS A 119 0.728 -6.040 4.339 1.00 0.00 N ATOM 520 CA CYS A 119 1.153 -6.557 3.044 1.00 0.00 C ATOM 521 C CYS A 119 2.150 -5.619 2.375 1.00 0.00 C ATOM 522 O CYS A 119 2.121 -5.424 1.161 1.00 0.00 O ATOM 523 CB CYS A 119 -0.052 -6.770 2.134 1.00 0.00 C ATOM 524 SG CYS A 119 -1.123 -8.147 2.647 1.00 0.00 S ATOM 0 H CYS A 119 0.137 -5.210 4.293 1.00 0.00 H new ATOM 0 HA CYS A 119 1.646 -7.514 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.642 -5.854 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.299 -6.953 1.119 1.00 0.00 H new ATOM 0 HG CYS A 119 -1.994 -7.720 3.512 1.00 0.00 H new ATOM 529 N GLY A 120 3.034 -5.048 3.180 1.00 0.00 N ATOM 530 CA GLY A 120 4.036 -4.139 2.660 1.00 0.00 C ATOM 531 C GLY A 120 4.910 -3.556 3.753 1.00 0.00 C ATOM 532 O GLY A 120 4.592 -3.671 4.936 1.00 0.00 O ATOM 0 H GLY A 120 3.076 -5.198 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.662 -4.666 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.544 -3.329 2.122 1.00 0.00 H new ATOM 536 N GLY A 121 6.014 -2.933 3.356 1.00 0.00 N ATOM 537 CA GLY A 121 6.918 -2.340 4.325 1.00 0.00 C ATOM 538 C GLY A 121 7.067 -0.843 4.131 1.00 0.00 C ATOM 539 O GLY A 121 6.795 -0.324 3.049 1.00 0.00 O ATOM 0 H GLY A 121 6.299 -2.828 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.550 -2.539 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.896 -2.814 4.244 1.00 0.00 H new ATOM 543 N ARG A 122 7.500 -0.149 5.177 1.00 0.00 N ATOM 544 CA ARG A 122 7.678 1.296 5.109 1.00 0.00 C ATOM 545 C ARG A 122 9.076 1.650 4.613 1.00 0.00 C ATOM 546 O ARG A 122 10.058 1.002 4.976 1.00 0.00 O ATOM 547 CB ARG A 122 7.438 1.933 6.480 1.00 0.00 C ATOM 548 CG ARG A 122 8.485 1.562 7.517 1.00 0.00 C ATOM 549 CD ARG A 122 8.270 2.322 8.816 1.00 0.00 C ATOM 550 NE ARG A 122 9.313 2.037 9.798 1.00 0.00 N ATOM 551 CZ ARG A 122 9.420 2.671 10.961 1.00 0.00 C ATOM 552 NH1 ARG A 122 8.547 3.616 11.286 1.00 0.00 N ATOM 553 NH2 ARG A 122 10.398 2.361 11.800 1.00 0.00 N ATOM 0 H ARG A 122 7.734 -0.562 6.080 1.00 0.00 H new ATOM 0 HA ARG A 122 6.947 1.689 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.418 3.017 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 122 6.456 1.632 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.445 0.490 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.479 1.779 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.249 3.392 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.298 2.059 9.233 1.00 0.00 H new ATOM 0 HE ARG A 122 9.996 1.312 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.793 3.856 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 122 8.630 4.102 12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.070 1.635 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.478 2.849 12.692 1.00 0.00 H new ATOM 700 N MET A 131 7.329 6.532 1.132 1.00 0.00 N ATOM 701 CA MET A 131 6.810 5.624 0.115 1.00 0.00 C ATOM 702 C MET A 131 6.769 4.196 0.637 1.00 0.00 C ATOM 703 O MET A 131 7.658 3.761 1.369 1.00 0.00 O ATOM 704 CB MET A 131 7.661 5.698 -1.152 1.00 0.00 C ATOM 705 CG MET A 131 9.148 5.512 -0.901 1.00 0.00 C ATOM 706 SD MET A 131 10.144 5.794 -2.378 1.00 0.00 S ATOM 707 CE MET A 131 9.783 7.517 -2.711 1.00 0.00 C ATOM 0 HA MET A 131 5.793 5.932 -0.128 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.321 4.935 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.500 6.664 -1.631 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.468 6.197 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.327 4.501 -0.535 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.598 7.954 -3.288 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.855 7.591 -3.279 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.676 8.055 -1.769 1.00 0.00 H new ATOM 717 N TRP A 132 5.725 3.474 0.259 1.00 0.00 N ATOM 718 CA TRP A 132 5.551 2.093 0.690 1.00 0.00 C ATOM 719 C TRP A 132 5.773 1.115 -0.459 1.00 0.00 C ATOM 720 O TRP A 132 5.520 1.436 -1.618 1.00 0.00 O ATOM 721 CB TRP A 132 4.156 1.902 1.283 1.00 0.00 C ATOM 722 CG TRP A 132 4.039 2.392 2.692 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.982 3.691 3.111 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.965 1.585 3.869 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.880 3.738 4.481 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.867 2.457 4.968 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.973 0.207 4.098 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.778 1.995 6.279 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.884 -0.252 5.399 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.786 0.640 6.476 1.00 0.00 C ATOM 0 H TRP A 132 4.982 3.822 -0.347 1.00 0.00 H new ATOM 0 HA TRP A 132 6.300 1.883 1.454 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.430 2.427 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.897 0.844 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 132 4.013 4.554 2.462 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.823 4.587 5.043 1.00 0.00 H new ATOM 0 HE3 TRP A 132 4.047 -0.487 3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.705 2.681 7.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.890 -1.315 5.589 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.715 0.251 7.481 1.00 0.00 H new ATOM 741 N VAL A 133 6.252 -0.080 -0.124 1.00 0.00 N ATOM 742 CA VAL A 133 6.503 -1.121 -1.117 1.00 0.00 C ATOM 743 C VAL A 133 5.934 -2.459 -0.649 1.00 0.00 C ATOM 744 O VAL A 133 6.252 -2.933 0.441 1.00 0.00 O ATOM 745 CB VAL A 133 8.010 -1.278 -1.401 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.257 -2.392 -2.408 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.596 0.035 -1.900 1.00 0.00 C ATOM 0 H VAL A 133 6.475 -0.353 0.833 1.00 0.00 H new ATOM 0 HA VAL A 133 6.006 -0.817 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 133 8.508 -1.547 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.327 -2.485 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.875 -3.332 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.746 -2.158 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.661 -0.093 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.091 0.333 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.456 0.807 -1.143 1.00 0.00 H new ATOM 757 N CYS A 134 5.092 -3.062 -1.483 1.00 0.00 N ATOM 758 CA CYS A 134 4.466 -4.339 -1.150 1.00 0.00 C ATOM 759 C CYS A 134 5.505 -5.436 -0.940 1.00 0.00 C ATOM 760 O CYS A 134 6.620 -5.368 -1.458 1.00 0.00 O ATOM 761 CB CYS A 134 3.484 -4.762 -2.247 1.00 0.00 C ATOM 762 SG CYS A 134 4.270 -5.221 -3.826 1.00 0.00 S ATOM 0 H CYS A 134 4.827 -2.688 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 134 3.923 -4.199 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 134 2.899 -5.608 -1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.785 -3.945 -2.427 1.00 0.00 H new ATOM 0 HG CYS A 134 3.354 -5.563 -4.683 1.00 0.00 H new ATOM 767 N ASN A 135 5.117 -6.448 -0.170 1.00 0.00 N ATOM 768 CA ASN A 135 5.991 -7.578 0.135 1.00 0.00 C ATOM 769 C ASN A 135 6.474 -8.293 -1.128 1.00 0.00 C ATOM 770 O ASN A 135 7.429 -9.070 -1.077 1.00 0.00 O ATOM 771 CB ASN A 135 5.266 -8.569 1.047 1.00 0.00 C ATOM 772 CG ASN A 135 4.851 -7.942 2.364 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.505 -7.027 2.862 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.758 -8.434 2.936 1.00 0.00 N ATOM 0 H ASN A 135 4.193 -6.509 0.258 1.00 0.00 H new ATOM 0 HA ASN A 135 6.869 -7.181 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.383 -8.951 0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.916 -9.422 1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.431 -8.052 3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.246 -9.194 2.488 1.00 0.00 H new ATOM 781 N LEU A 136 5.822 -8.033 -2.258 1.00 0.00 N ATOM 782 CA LEU A 136 6.203 -8.668 -3.517 1.00 0.00 C ATOM 783 C LEU A 136 7.373 -7.931 -4.159 1.00 0.00 C ATOM 784 O LEU A 136 8.240 -8.544 -4.783 1.00 0.00 O ATOM 785 CB LEU A 136 5.017 -8.689 -4.481 1.00 0.00 C ATOM 786 CG LEU A 136 3.666 -8.992 -3.836 1.00 0.00 C ATOM 787 CD1 LEU A 136 2.537 -8.748 -4.824 1.00 0.00 C ATOM 788 CD2 LEU A 136 3.631 -10.424 -3.328 1.00 0.00 C ATOM 0 H LEU A 136 5.032 -7.391 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 136 6.508 -9.692 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.956 -7.721 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.209 -9.434 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 136 3.530 -8.321 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.582 -8.969 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.551 -7.706 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.667 -9.394 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.662 -10.624 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.788 -11.109 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.418 -10.567 -2.587 1.00 0.00 H new ATOM 800 N CYS A 137 7.387 -6.614 -4.005 1.00 0.00 N ATOM 801 CA CYS A 137 8.454 -5.790 -4.557 1.00 0.00 C ATOM 802 C CYS A 137 9.591 -5.655 -3.548 1.00 0.00 C ATOM 803 O CYS A 137 10.763 -5.583 -3.918 1.00 0.00 O ATOM 804 CB CYS A 137 7.920 -4.407 -4.937 1.00 0.00 C ATOM 805 SG CYS A 137 6.807 -4.411 -6.380 1.00 0.00 S ATOM 0 H CYS A 137 6.670 -6.092 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 137 8.836 -6.274 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.389 -3.987 -4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.763 -3.748 -5.144 1.00 0.00 H new ATOM 0 HG CYS A 137 5.830 -3.578 -6.177 1.00 0.00 H new ATOM 810 N ARG A 138 9.226 -5.622 -2.272 1.00 0.00 N ATOM 811 CA ARG A 138 10.199 -5.502 -1.193 1.00 0.00 C ATOM 812 C ARG A 138 11.123 -6.715 -1.152 1.00 0.00 C ATOM 813 O ARG A 138 12.321 -6.587 -0.896 1.00 0.00 O ATOM 814 CB ARG A 138 9.478 -5.354 0.148 1.00 0.00 C ATOM 815 CG ARG A 138 10.417 -5.171 1.329 1.00 0.00 C ATOM 816 CD ARG A 138 9.657 -5.169 2.646 1.00 0.00 C ATOM 817 NE ARG A 138 8.995 -6.446 2.898 1.00 0.00 N ATOM 818 CZ ARG A 138 8.446 -6.772 4.064 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.486 -5.921 5.080 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.856 -7.951 4.215 1.00 0.00 N ATOM 0 H ARG A 138 8.257 -5.677 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 138 10.805 -4.615 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.803 -4.499 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.862 -6.237 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.157 -5.971 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.963 -4.234 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.346 -4.951 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.914 -4.372 2.634 1.00 0.00 H new ATOM 0 HE ARG A 138 8.951 -7.125 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.939 -5.014 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.064 -6.173 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.823 -8.608 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.435 -8.200 5.110 1.00 0.00 H new ATOM 834 N LYS A 139 10.557 -7.890 -1.405 1.00 0.00 N ATOM 835 CA LYS A 139 11.326 -9.128 -1.391 1.00 0.00 C ATOM 836 C LYS A 139 12.119 -9.298 -2.681 1.00 0.00 C ATOM 837 O LYS A 139 13.338 -9.473 -2.654 1.00 0.00 O ATOM 838 CB LYS A 139 10.394 -10.326 -1.193 1.00 0.00 C ATOM 839 CG LYS A 139 11.127 -11.651 -1.069 1.00 0.00 C ATOM 840 CD LYS A 139 12.074 -11.653 0.121 1.00 0.00 C ATOM 841 CE LYS A 139 12.856 -12.952 0.208 1.00 0.00 C ATOM 842 NZ LYS A 139 13.683 -13.184 -1.009 1.00 0.00 N ATOM 0 H LYS A 139 9.568 -8.011 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 139 12.030 -9.077 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 139 9.795 -10.166 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.702 -10.380 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.404 -12.460 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.689 -11.845 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.766 -10.815 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 139 11.506 -11.507 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 139 13.501 -12.930 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.165 -13.784 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 14.384 -13.928 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.069 -13.482 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 14.174 -12.305 -1.268 1.00 0.00 H new ATOM 856 N GLN A 140 11.421 -9.244 -3.810 1.00 0.00 N ATOM 857 CA GLN A 140 12.061 -9.394 -5.112 1.00 0.00 C ATOM 858 C GLN A 140 13.195 -8.391 -5.290 1.00 0.00 C ATOM 859 O GLN A 140 14.102 -8.605 -6.095 1.00 0.00 O ATOM 860 CB GLN A 140 11.033 -9.221 -6.231 1.00 0.00 C ATOM 861 CG GLN A 140 9.985 -10.321 -6.273 1.00 0.00 C ATOM 862 CD GLN A 140 9.024 -10.163 -7.435 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.383 -9.630 -8.484 1.00 0.00 O ATOM 864 NE2 GLN A 140 7.794 -10.631 -7.253 1.00 0.00 N ATOM 0 H GLN A 140 10.412 -9.098 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 140 12.483 -10.398 -5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.534 -8.260 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.553 -9.190 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.481 -11.289 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 140 9.424 -10.320 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 140 7.540 -11.066 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.104 -10.556 -8.000 1.00 0.00 H new ATOM 873 N GLN A 141 13.144 -7.296 -4.537 1.00 0.00 N ATOM 874 CA GLN A 141 14.176 -6.268 -4.625 1.00 0.00 C ATOM 875 C GLN A 141 15.124 -6.312 -3.424 1.00 0.00 C ATOM 876 O GLN A 141 16.064 -5.522 -3.342 1.00 0.00 O ATOM 877 CB GLN A 141 13.534 -4.883 -4.736 1.00 0.00 C ATOM 878 CG GLN A 141 14.536 -3.763 -4.966 1.00 0.00 C ATOM 879 CD GLN A 141 13.869 -2.418 -5.177 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.608 -1.686 -4.222 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.592 -2.084 -6.432 1.00 0.00 N ATOM 0 H GLN A 141 12.404 -7.098 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 141 14.764 -6.467 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.815 -4.890 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 141 12.975 -4.677 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.208 -3.701 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.148 -4.001 -5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.826 -2.722 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.145 -1.190 -6.635 1.00 0.00 H new ATOM 890 N GLU A 142 14.886 -7.238 -2.499 1.00 0.00 N ATOM 891 CA GLU A 142 15.730 -7.360 -1.316 1.00 0.00 C ATOM 892 C GLU A 142 15.722 -8.789 -0.785 1.00 0.00 C ATOM 893 O GLU A 142 16.584 -9.584 -1.214 1.00 0.00 O ATOM 894 CB GLU A 142 15.257 -6.397 -0.226 1.00 0.00 C ATOM 895 CG GLU A 142 16.232 -6.266 0.933 1.00 0.00 C ATOM 896 CD GLU A 142 15.735 -5.323 2.009 1.00 0.00 C ATOM 897 OE1 GLU A 142 15.834 -4.093 1.812 1.00 0.00 O ATOM 898 OE2 GLU A 142 15.246 -5.812 3.049 1.00 0.00 O ATOM 899 OXT GLU A 142 14.854 -9.103 0.057 1.00 0.00 O ATOM 0 H GLU A 142 14.121 -7.911 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 142 16.750 -7.104 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 142 15.095 -5.413 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.295 -6.738 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 142 16.406 -7.250 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.191 -5.910 0.557 1.00 0.00 H new