USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 374 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 102 HIS : no HE2:sc= -6.49! C(o=-9.9!,f=-13!) USER MOD Set 1.2: A 132 CYS SG : rot 13:sc= -2.2! USER MOD Set 1.3: A 135 CYS SG : rot -62:sc= -0.905! USER MOD Set 1.4: A 151 CYS SG : rot 180:sc= -0.309 USER MOD Set 2.1: A 107 HIS : no HD1:sc= -18.9! C(o=-19!,f=-23!) USER MOD Set 2.2: A 109 TYR OH : rot 119:sc= -0.414 USER MOD Set 2.3: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 115 CYS SG : rot 117:sc= 0.224! USER MOD Set 3.2: A 118 CYS SG : rot -61:sc= -5.65! USER MOD Set 3.3: A 140 HIS : no HE2:sc= -16! C(o=-23!,f=-29!) USER MOD Set 3.4: A 143 CYS SG : rot 61:sc= -1.86! USER MOD Set 4.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 127 HIS : no HD1:sc= -2.42! C(o=-11!,f=-11!) USER MOD Set 4.3: A 128 GLN : amide:sc= -8.13! C(o=-11!,f=-20!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 36:sc= 0.752 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.19 F(o=-0.88,f=-0.19) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -152:sc= -4.11! (180deg=-7.57!) USER MOD Single : A 133 SER OG : rot 150:sc= -2! USER MOD Single : A 134 CYS SG : rot 28:sc= 0.506 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -1.99 K(o=-2,f=-2.6!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -59:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -4.745 2.635 -3.669 1.00 0.00 N ATOM 133 CA HIS A 102 -4.645 2.230 -2.238 1.00 0.00 C ATOM 134 C HIS A 102 -4.293 3.455 -1.390 1.00 0.00 C ATOM 135 O HIS A 102 -3.825 4.455 -1.895 1.00 0.00 O ATOM 136 CB HIS A 102 -3.545 1.179 -2.080 1.00 0.00 C ATOM 137 CG HIS A 102 -3.945 -0.088 -2.784 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.549 -1.146 -2.120 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.819 -0.487 -4.091 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.759 -2.122 -3.024 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.333 -1.772 -4.240 1.00 0.00 N ATOM 0 HA HIS A 102 -5.598 1.814 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.609 1.555 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.370 0.979 -1.023 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.790 -1.179 -1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.387 0.106 -4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.217 -3.073 -2.793 1.00 0.00 H new ATOM 148 N LYS A 103 -4.500 3.381 -0.104 1.00 0.00 N ATOM 149 CA LYS A 103 -4.160 4.540 0.769 1.00 0.00 C ATOM 150 C LYS A 103 -2.708 4.396 1.221 1.00 0.00 C ATOM 151 O LYS A 103 -2.383 4.565 2.379 1.00 0.00 O ATOM 152 CB LYS A 103 -5.081 4.553 1.993 1.00 0.00 C ATOM 153 CG LYS A 103 -6.308 5.420 1.704 1.00 0.00 C ATOM 154 CD LYS A 103 -6.423 6.514 2.770 1.00 0.00 C ATOM 155 CE LYS A 103 -6.979 5.915 4.062 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.018 6.825 4.626 1.00 0.00 N ATOM 0 H LYS A 103 -4.889 2.571 0.379 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.291 5.472 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.391 3.537 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.545 4.941 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.224 5.869 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.208 4.805 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.446 6.960 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.076 7.312 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.409 4.933 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.175 5.772 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.396 6.418 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.594 7.753 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.789 6.940 3.938 1.00 0.00 H new ATOM 170 N PHE A 104 -1.837 4.069 0.304 1.00 0.00 N ATOM 171 CA PHE A 104 -0.399 3.889 0.651 1.00 0.00 C ATOM 172 C PHE A 104 0.043 4.952 1.657 1.00 0.00 C ATOM 173 O PHE A 104 -0.285 6.115 1.536 1.00 0.00 O ATOM 174 CB PHE A 104 0.447 4.017 -0.617 1.00 0.00 C ATOM 175 CG PHE A 104 0.113 2.892 -1.567 1.00 0.00 C ATOM 176 CD1 PHE A 104 -0.020 1.582 -1.087 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.062 3.157 -2.933 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.327 0.539 -1.971 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.370 2.115 -3.816 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.502 0.805 -3.335 1.00 0.00 C ATOM 0 H PHE A 104 -2.063 3.918 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.264 2.902 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.259 4.978 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.507 3.989 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.114 1.376 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.041 4.166 -3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.429 -0.470 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.506 2.321 -4.868 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.739 0.001 -4.016 1.00 0.00 H new ATOM 190 N ARG A 105 0.796 4.554 2.644 1.00 0.00 N ATOM 191 CA ARG A 105 1.279 5.528 3.661 1.00 0.00 C ATOM 192 C ARG A 105 2.705 5.154 4.065 1.00 0.00 C ATOM 193 O ARG A 105 2.926 4.197 4.780 1.00 0.00 O ATOM 194 CB ARG A 105 0.369 5.483 4.891 1.00 0.00 C ATOM 195 CG ARG A 105 0.586 6.742 5.734 1.00 0.00 C ATOM 196 CD ARG A 105 -0.574 6.907 6.719 1.00 0.00 C ATOM 197 NE ARG A 105 -0.577 5.766 7.680 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.650 5.501 8.373 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.262 6.455 9.020 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.112 4.280 8.420 1.00 0.00 N ATOM 0 H ARG A 105 1.099 3.591 2.790 1.00 0.00 H new ATOM 0 HA ARG A 105 1.264 6.535 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.674 5.415 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.585 4.594 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.529 6.671 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.655 7.617 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.476 7.850 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.520 6.945 6.180 1.00 0.00 H new ATOM 0 HE ARG A 105 0.259 5.193 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.901 7.408 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.101 6.247 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.634 3.534 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.951 4.073 8.962 1.00 0.00 H new ATOM 214 N LEU A 106 3.676 5.896 3.609 1.00 0.00 N ATOM 215 CA LEU A 106 5.083 5.574 3.967 1.00 0.00 C ATOM 216 C LEU A 106 5.188 5.394 5.482 1.00 0.00 C ATOM 217 O LEU A 106 4.834 6.265 6.250 1.00 0.00 O ATOM 218 CB LEU A 106 6.002 6.710 3.506 1.00 0.00 C ATOM 219 CG LEU A 106 5.809 7.933 4.402 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.687 9.080 3.900 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.343 8.366 4.372 1.00 0.00 C ATOM 0 H LEU A 106 3.555 6.709 3.005 1.00 0.00 H new ATOM 0 HA LEU A 106 5.388 4.651 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.042 6.384 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.782 6.969 2.470 1.00 0.00 H new ATOM 0 HG LEU A 106 6.092 7.678 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.548 9.951 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.733 8.775 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.406 9.332 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.208 9.238 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.059 8.618 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.715 7.551 4.733 1.00 0.00 H new ATOM 233 N HIS A 107 5.667 4.263 5.918 1.00 0.00 N ATOM 234 CA HIS A 107 5.790 4.024 7.382 1.00 0.00 C ATOM 235 C HIS A 107 7.252 4.190 7.800 1.00 0.00 C ATOM 236 O HIS A 107 8.120 4.413 6.978 1.00 0.00 O ATOM 237 CB HIS A 107 5.314 2.608 7.714 1.00 0.00 C ATOM 238 CG HIS A 107 6.063 1.609 6.877 1.00 0.00 C ATOM 239 ND1 HIS A 107 5.454 0.898 5.854 1.00 0.00 N ATOM 240 CD2 HIS A 107 7.366 1.182 6.905 1.00 0.00 C ATOM 241 CE1 HIS A 107 6.383 0.088 5.316 1.00 0.00 C ATOM 242 NE2 HIS A 107 7.566 0.221 5.919 1.00 0.00 N ATOM 0 H HIS A 107 5.978 3.494 5.324 1.00 0.00 H new ATOM 0 HA HIS A 107 5.174 4.743 7.922 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.472 2.400 8.772 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.243 2.522 7.528 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.122 1.538 7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.194 -0.588 4.495 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.431 -0.275 5.703 1.00 0.00 H new ATOM 250 N SER A 108 7.535 4.090 9.070 1.00 0.00 N ATOM 251 CA SER A 108 8.944 4.252 9.528 1.00 0.00 C ATOM 252 C SER A 108 9.332 3.087 10.441 1.00 0.00 C ATOM 253 O SER A 108 9.478 3.247 11.637 1.00 0.00 O ATOM 254 CB SER A 108 9.079 5.568 10.294 1.00 0.00 C ATOM 255 OG SER A 108 8.143 6.507 9.783 1.00 0.00 O ATOM 0 H SER A 108 6.855 3.904 9.807 1.00 0.00 H new ATOM 0 HA SER A 108 9.605 4.262 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.903 5.403 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.092 5.957 10.196 1.00 0.00 H new ATOM 0 HG SER A 108 8.226 7.352 10.273 1.00 0.00 H new ATOM 261 N TYR A 109 9.509 1.919 9.887 1.00 0.00 N ATOM 262 CA TYR A 109 9.899 0.750 10.724 1.00 0.00 C ATOM 263 C TYR A 109 11.411 0.782 10.956 1.00 0.00 C ATOM 264 O TYR A 109 12.042 1.816 10.857 1.00 0.00 O ATOM 265 CB TYR A 109 9.529 -0.546 9.998 1.00 0.00 C ATOM 266 CG TYR A 109 8.086 -0.492 9.553 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.165 0.300 10.251 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.670 -1.238 8.442 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.826 0.346 9.838 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.331 -1.191 8.029 1.00 0.00 C ATOM 271 CZ TYR A 109 5.410 -0.400 8.727 1.00 0.00 C ATOM 272 OH TYR A 109 4.091 -0.355 8.321 1.00 0.00 O ATOM 0 H TYR A 109 9.400 1.724 8.892 1.00 0.00 H new ATOM 0 HA TYR A 109 9.376 0.794 11.679 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.180 -0.688 9.135 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.683 -1.400 10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.486 0.875 11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.380 -1.849 7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.115 0.956 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.010 -1.765 7.172 1.00 0.00 H new ATOM 0 HH TYR A 109 4.042 -0.001 7.408 1.00 0.00 H new ATOM 282 N SER A 110 12.001 -0.344 11.253 1.00 0.00 N ATOM 283 CA SER A 110 13.474 -0.378 11.475 1.00 0.00 C ATOM 284 C SER A 110 14.171 -0.619 10.135 1.00 0.00 C ATOM 285 O SER A 110 15.364 -0.434 9.998 1.00 0.00 O ATOM 286 CB SER A 110 13.821 -1.511 12.441 1.00 0.00 C ATOM 287 OG SER A 110 13.498 -1.115 13.767 1.00 0.00 O ATOM 0 H SER A 110 11.526 -1.241 11.351 1.00 0.00 H new ATOM 0 HA SER A 110 13.805 0.569 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.270 -2.413 12.174 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.881 -1.753 12.370 1.00 0.00 H new ATOM 0 HG SER A 110 13.718 -1.841 14.388 1.00 0.00 H new ATOM 293 N SER A 111 13.427 -1.030 9.144 1.00 0.00 N ATOM 294 CA SER A 111 14.028 -1.287 7.805 1.00 0.00 C ATOM 295 C SER A 111 12.917 -1.268 6.751 1.00 0.00 C ATOM 296 O SER A 111 11.750 -1.317 7.088 1.00 0.00 O ATOM 297 CB SER A 111 14.709 -2.656 7.809 1.00 0.00 C ATOM 298 OG SER A 111 16.065 -2.504 8.209 1.00 0.00 O ATOM 0 H SER A 111 12.423 -1.200 9.205 1.00 0.00 H new ATOM 0 HA SER A 111 14.767 -0.519 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.190 -3.331 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.658 -3.103 6.816 1.00 0.00 H new ATOM 0 HG SER A 111 16.128 -1.804 8.892 1.00 0.00 H new ATOM 304 N PRO A 112 13.310 -1.197 5.506 1.00 0.00 N ATOM 305 CA PRO A 112 12.361 -1.168 4.380 1.00 0.00 C ATOM 306 C PRO A 112 11.787 -2.563 4.120 1.00 0.00 C ATOM 307 O PRO A 112 12.474 -3.560 4.218 1.00 0.00 O ATOM 308 CB PRO A 112 13.213 -0.685 3.204 1.00 0.00 C ATOM 309 CG PRO A 112 14.683 -0.992 3.571 1.00 0.00 C ATOM 310 CD PRO A 112 14.731 -1.142 5.105 1.00 0.00 C ATOM 0 HA PRO A 112 11.499 -0.526 4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.928 -1.195 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.070 0.382 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.022 -1.905 3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.341 -0.189 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.264 -2.046 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.245 -0.302 5.572 1.00 0.00 H new ATOM 318 N THR A 113 10.524 -2.635 3.794 1.00 0.00 N ATOM 319 CA THR A 113 9.893 -3.959 3.532 1.00 0.00 C ATOM 320 C THR A 113 10.045 -4.308 2.053 1.00 0.00 C ATOM 321 O THR A 113 10.513 -3.514 1.262 1.00 0.00 O ATOM 322 CB THR A 113 8.406 -3.891 3.889 1.00 0.00 C ATOM 323 OG1 THR A 113 8.213 -2.945 4.931 1.00 0.00 O ATOM 324 CG2 THR A 113 7.927 -5.267 4.353 1.00 0.00 C ATOM 0 H THR A 113 9.902 -1.832 3.698 1.00 0.00 H new ATOM 0 HA THR A 113 10.379 -4.723 4.139 1.00 0.00 H new ATOM 0 HB THR A 113 7.836 -3.587 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.261 -2.899 5.159 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.868 -5.217 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.075 -5.992 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.496 -5.574 5.230 1.00 0.00 H new ATOM 332 N PHE A 114 9.655 -5.492 1.675 1.00 0.00 N ATOM 333 CA PHE A 114 9.782 -5.896 0.248 1.00 0.00 C ATOM 334 C PHE A 114 8.627 -5.301 -0.560 1.00 0.00 C ATOM 335 O PHE A 114 7.663 -4.804 -0.014 1.00 0.00 O ATOM 336 CB PHE A 114 9.742 -7.421 0.146 1.00 0.00 C ATOM 337 CG PHE A 114 11.087 -7.983 0.535 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.564 -7.815 1.842 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.858 -8.672 -0.410 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.813 -8.336 2.203 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.108 -9.193 -0.048 1.00 0.00 C ATOM 342 CZ PHE A 114 13.585 -9.025 1.259 1.00 0.00 C ATOM 0 H PHE A 114 9.254 -6.198 2.292 1.00 0.00 H new ATOM 0 HA PHE A 114 10.728 -5.528 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.966 -7.820 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.490 -7.722 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.969 -7.284 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.490 -8.802 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.181 -8.206 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.703 -9.724 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.548 -9.427 1.538 1.00 0.00 H new ATOM 352 N CYS A 115 8.722 -5.347 -1.860 1.00 0.00 N ATOM 353 CA CYS A 115 7.635 -4.784 -2.710 1.00 0.00 C ATOM 354 C CYS A 115 6.792 -5.928 -3.275 1.00 0.00 C ATOM 355 O CYS A 115 7.298 -6.970 -3.640 1.00 0.00 O ATOM 356 CB CYS A 115 8.261 -3.976 -3.848 1.00 0.00 C ATOM 357 SG CYS A 115 6.970 -3.313 -4.927 1.00 0.00 S ATOM 0 H CYS A 115 9.507 -5.751 -2.371 1.00 0.00 H new ATOM 0 HA CYS A 115 6.994 -4.132 -2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.858 -3.161 -3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.937 -4.608 -4.424 1.00 0.00 H new ATOM 0 HG CYS A 115 6.999 -2.014 -4.890 1.00 0.00 H new ATOM 362 N ASP A 116 5.503 -5.742 -3.336 1.00 0.00 N ATOM 363 CA ASP A 116 4.612 -6.820 -3.861 1.00 0.00 C ATOM 364 C ASP A 116 4.348 -6.605 -5.351 1.00 0.00 C ATOM 365 O ASP A 116 3.896 -7.493 -6.046 1.00 0.00 O ATOM 366 CB ASP A 116 3.283 -6.794 -3.103 1.00 0.00 C ATOM 367 CG ASP A 116 2.625 -5.424 -3.274 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.637 -4.916 -4.383 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.121 -4.905 -2.291 1.00 0.00 O ATOM 0 H ASP A 116 5.025 -4.889 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 116 5.100 -7.785 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.623 -7.576 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.451 -6.999 -2.046 1.00 0.00 H new ATOM 374 N HIS A 117 4.618 -5.432 -5.846 1.00 0.00 N ATOM 375 CA HIS A 117 4.374 -5.160 -7.290 1.00 0.00 C ATOM 376 C HIS A 117 5.621 -5.524 -8.099 1.00 0.00 C ATOM 377 O HIS A 117 5.538 -5.843 -9.268 1.00 0.00 O ATOM 378 CB HIS A 117 4.060 -3.674 -7.478 1.00 0.00 C ATOM 379 CG HIS A 117 3.970 -3.362 -8.947 1.00 0.00 C ATOM 380 ND1 HIS A 117 4.931 -3.079 -9.885 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.759 -3.313 -9.620 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.331 -2.859 -11.121 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 3.022 -3.012 -10.906 1.00 0.00 N flip ATOM 0 H HIS A 117 4.997 -4.649 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 117 3.532 -5.759 -7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.121 -3.425 -6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.836 -3.066 -7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.783 -3.485 -9.191 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.819 -2.617 -12.054 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.308 -2.913 -11.628 1.00 0.00 H new ATOM 391 N CYS A 118 6.778 -5.486 -7.491 1.00 0.00 N ATOM 392 CA CYS A 118 8.018 -5.836 -8.241 1.00 0.00 C ATOM 393 C CYS A 118 8.801 -6.905 -7.474 1.00 0.00 C ATOM 394 O CYS A 118 9.808 -7.401 -7.936 1.00 0.00 O ATOM 395 CB CYS A 118 8.884 -4.586 -8.414 1.00 0.00 C ATOM 396 SG CYS A 118 9.288 -3.898 -6.789 1.00 0.00 S ATOM 0 H CYS A 118 6.917 -5.229 -6.514 1.00 0.00 H new ATOM 0 HA CYS A 118 7.748 -6.225 -9.223 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.798 -4.836 -8.952 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.355 -3.845 -9.013 1.00 0.00 H new ATOM 0 HG CYS A 118 8.192 -3.567 -6.173 1.00 0.00 H new ATOM 401 N GLY A 119 8.343 -7.271 -6.306 1.00 0.00 N ATOM 402 CA GLY A 119 9.059 -8.314 -5.516 1.00 0.00 C ATOM 403 C GLY A 119 10.505 -7.879 -5.277 1.00 0.00 C ATOM 404 O GLY A 119 11.438 -8.592 -5.591 1.00 0.00 O ATOM 0 H GLY A 119 7.504 -6.893 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.555 -8.472 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.039 -9.265 -6.049 1.00 0.00 H new ATOM 408 N SER A 120 10.699 -6.715 -4.724 1.00 0.00 N ATOM 409 CA SER A 120 12.086 -6.235 -4.463 1.00 0.00 C ATOM 410 C SER A 120 12.097 -5.360 -3.207 1.00 0.00 C ATOM 411 O SER A 120 11.161 -4.633 -2.940 1.00 0.00 O ATOM 412 CB SER A 120 12.577 -5.420 -5.660 1.00 0.00 C ATOM 413 OG SER A 120 12.737 -6.281 -6.779 1.00 0.00 O ATOM 0 H SER A 120 9.957 -6.074 -4.441 1.00 0.00 H new ATOM 0 HA SER A 120 12.744 -7.091 -4.313 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.864 -4.629 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.524 -4.935 -5.421 1.00 0.00 H new ATOM 0 HG SER A 120 13.050 -5.762 -7.549 1.00 0.00 H new ATOM 419 N LEU A 121 13.147 -5.425 -2.434 1.00 0.00 N ATOM 420 CA LEU A 121 13.212 -4.595 -1.197 1.00 0.00 C ATOM 421 C LEU A 121 13.068 -3.116 -1.547 1.00 0.00 C ATOM 422 O LEU A 121 13.509 -2.663 -2.585 1.00 0.00 O ATOM 423 CB LEU A 121 14.551 -4.818 -0.491 1.00 0.00 C ATOM 424 CG LEU A 121 14.407 -5.945 0.531 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.787 -6.524 0.850 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.778 -5.385 1.811 1.00 0.00 C ATOM 0 H LEU A 121 13.961 -6.016 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 121 12.397 -4.890 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.321 -5.070 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.870 -3.901 0.005 1.00 0.00 H new ATOM 0 HG LEU A 121 13.771 -6.731 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.685 -7.328 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.237 -6.916 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.424 -5.741 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.672 -6.184 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.417 -4.601 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.796 -4.970 1.583 1.00 0.00 H new ATOM 438 N LEU A 122 12.459 -2.360 -0.679 1.00 0.00 N ATOM 439 CA LEU A 122 12.285 -0.906 -0.941 1.00 0.00 C ATOM 440 C LEU A 122 13.486 -0.151 -0.367 1.00 0.00 C ATOM 441 O LEU A 122 13.527 0.157 0.807 1.00 0.00 O ATOM 442 CB LEU A 122 11.002 -0.418 -0.264 1.00 0.00 C ATOM 443 CG LEU A 122 9.867 -1.406 -0.544 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.884 -1.402 0.628 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.133 -0.990 -1.819 1.00 0.00 C ATOM 0 H LEU A 122 12.072 -2.689 0.206 1.00 0.00 H new ATOM 0 HA LEU A 122 12.216 -0.728 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.159 -0.324 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.736 0.572 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 122 10.281 -2.406 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.076 -2.106 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.404 -1.696 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.471 -0.401 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.324 -1.693 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.720 0.011 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.830 -0.991 -2.657 1.00 0.00 H new ATOM 457 N TYR A 123 14.464 0.140 -1.182 1.00 0.00 N ATOM 458 CA TYR A 123 15.667 0.867 -0.680 1.00 0.00 C ATOM 459 C TYR A 123 15.238 1.969 0.292 1.00 0.00 C ATOM 460 O TYR A 123 14.152 2.507 0.198 1.00 0.00 O ATOM 461 CB TYR A 123 16.417 1.485 -1.862 1.00 0.00 C ATOM 462 CG TYR A 123 17.061 0.385 -2.671 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.355 -0.052 -2.355 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.365 -0.200 -3.736 1.00 0.00 C ATOM 465 CE1 TYR A 123 18.952 -1.073 -3.104 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.962 -1.222 -4.486 1.00 0.00 C ATOM 467 CZ TYR A 123 18.256 -1.659 -4.170 1.00 0.00 C ATOM 468 OH TYR A 123 18.844 -2.666 -4.908 1.00 0.00 O ATOM 0 H TYR A 123 14.482 -0.094 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 123 16.322 0.168 -0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.730 2.057 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.176 2.181 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.892 0.399 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.368 0.137 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.949 -1.409 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.425 -1.673 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 123 18.226 -2.962 -5.608 1.00 0.00 H new ATOM 478 N GLY A 124 16.080 2.301 1.232 1.00 0.00 N ATOM 479 CA GLY A 124 15.723 3.361 2.219 1.00 0.00 C ATOM 480 C GLY A 124 15.481 4.685 1.494 1.00 0.00 C ATOM 481 O GLY A 124 14.965 5.627 2.061 1.00 0.00 O ATOM 0 H GLY A 124 17.002 1.883 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 124 14.830 3.070 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.525 3.477 2.948 1.00 0.00 H new ATOM 485 N LEU A 125 15.853 4.768 0.247 1.00 0.00 N ATOM 486 CA LEU A 125 15.644 6.034 -0.510 1.00 0.00 C ATOM 487 C LEU A 125 14.156 6.394 -0.509 1.00 0.00 C ATOM 488 O LEU A 125 13.783 7.528 -0.732 1.00 0.00 O ATOM 489 CB LEU A 125 16.123 5.848 -1.951 1.00 0.00 C ATOM 490 CG LEU A 125 17.651 5.835 -1.981 1.00 0.00 C ATOM 491 CD1 LEU A 125 18.132 5.357 -3.353 1.00 0.00 C ATOM 492 CD2 LEU A 125 18.176 7.250 -1.723 1.00 0.00 C ATOM 0 H LEU A 125 16.293 4.014 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 125 16.210 6.837 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.732 4.915 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.743 6.654 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 125 18.024 5.160 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.222 5.348 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.757 4.351 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 125 17.760 6.031 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 125 19.266 7.243 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.802 7.923 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.834 7.593 -0.746 1.00 0.00 H new ATOM 504 N VAL A 126 13.302 5.436 -0.263 1.00 0.00 N ATOM 505 CA VAL A 126 11.839 5.729 -0.252 1.00 0.00 C ATOM 506 C VAL A 126 11.319 5.700 1.188 1.00 0.00 C ATOM 507 O VAL A 126 10.193 5.318 1.441 1.00 0.00 O ATOM 508 CB VAL A 126 11.104 4.675 -1.081 1.00 0.00 C ATOM 509 CG1 VAL A 126 11.367 4.920 -2.568 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.610 3.283 -0.700 1.00 0.00 C ATOM 0 H VAL A 126 13.553 4.466 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 126 11.664 6.717 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 126 10.034 4.741 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.843 4.169 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.008 5.912 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 126 12.437 4.854 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.086 2.531 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.680 3.218 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.425 3.106 0.359 1.00 0.00 H new ATOM 520 N HIS A 127 12.131 6.102 2.129 1.00 0.00 N ATOM 521 CA HIS A 127 11.693 6.101 3.557 1.00 0.00 C ATOM 522 C HIS A 127 10.892 4.833 3.848 1.00 0.00 C ATOM 523 O HIS A 127 9.677 4.850 3.890 1.00 0.00 O ATOM 524 CB HIS A 127 10.819 7.327 3.830 1.00 0.00 C ATOM 525 CG HIS A 127 10.883 7.668 5.294 1.00 0.00 C ATOM 526 ND1 HIS A 127 9.743 7.855 6.062 1.00 0.00 N ATOM 527 CD2 HIS A 127 11.944 7.853 6.147 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.142 8.138 7.315 1.00 0.00 C ATOM 529 NE2 HIS A 127 11.473 8.149 7.422 1.00 0.00 N ATOM 0 H HIS A 127 13.083 6.433 1.970 1.00 0.00 H new ATOM 0 HA HIS A 127 12.572 6.132 4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.161 8.172 3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.789 7.126 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.985 7.780 5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.467 8.333 8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.026 8.335 8.259 1.00 0.00 H new ATOM 537 N GLN A 128 11.558 3.729 4.046 1.00 0.00 N ATOM 538 CA GLN A 128 10.828 2.463 4.329 1.00 0.00 C ATOM 539 C GLN A 128 9.908 2.145 3.148 1.00 0.00 C ATOM 540 O GLN A 128 10.102 2.631 2.052 1.00 0.00 O ATOM 541 CB GLN A 128 9.999 2.622 5.606 1.00 0.00 C ATOM 542 CG GLN A 128 10.932 2.893 6.789 1.00 0.00 C ATOM 543 CD GLN A 128 11.539 4.290 6.653 1.00 0.00 C ATOM 544 OE1 GLN A 128 10.834 5.250 6.414 1.00 0.00 O ATOM 545 NE2 GLN A 128 12.826 4.444 6.795 1.00 0.00 N ATOM 0 H GLN A 128 12.575 3.649 4.024 1.00 0.00 H new ATOM 0 HA GLN A 128 11.539 1.649 4.468 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.290 3.442 5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.416 1.720 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.380 2.815 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.723 2.143 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.417 3.637 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 128 13.242 5.371 6.705 1.00 0.00 H new ATOM 554 N GLY A 129 8.910 1.332 3.358 1.00 0.00 N ATOM 555 CA GLY A 129 7.988 0.986 2.242 1.00 0.00 C ATOM 556 C GLY A 129 6.643 1.685 2.439 1.00 0.00 C ATOM 557 O GLY A 129 6.303 2.105 3.529 1.00 0.00 O ATOM 0 H GLY A 129 8.694 0.893 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.427 1.286 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.843 -0.094 2.200 1.00 0.00 H new ATOM 561 N MET A 130 5.873 1.808 1.393 1.00 0.00 N ATOM 562 CA MET A 130 4.544 2.471 1.516 1.00 0.00 C ATOM 563 C MET A 130 3.491 1.414 1.849 1.00 0.00 C ATOM 564 O MET A 130 3.209 0.537 1.056 1.00 0.00 O ATOM 565 CB MET A 130 4.186 3.154 0.193 1.00 0.00 C ATOM 566 CG MET A 130 5.465 3.619 -0.509 1.00 0.00 C ATOM 567 SD MET A 130 6.473 4.578 0.646 1.00 0.00 S ATOM 568 CE MET A 130 5.909 6.217 0.128 1.00 0.00 C ATOM 0 H MET A 130 6.107 1.477 0.457 1.00 0.00 H new ATOM 0 HA MET A 130 4.577 3.220 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.638 2.463 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.531 4.005 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.027 2.758 -0.871 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.215 4.225 -1.380 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.696 6.948 0.314 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.673 6.201 -0.936 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.018 6.491 0.693 1.00 0.00 H new ATOM 578 N LYS A 131 2.914 1.480 3.017 1.00 0.00 N ATOM 579 CA LYS A 131 1.891 0.465 3.393 1.00 0.00 C ATOM 580 C LYS A 131 0.488 1.039 3.205 1.00 0.00 C ATOM 581 O LYS A 131 0.139 2.057 3.769 1.00 0.00 O ATOM 582 CB LYS A 131 2.083 0.069 4.856 1.00 0.00 C ATOM 583 CG LYS A 131 1.147 -1.091 5.201 1.00 0.00 C ATOM 584 CD LYS A 131 1.555 -1.693 6.547 1.00 0.00 C ATOM 585 CE LYS A 131 2.053 -3.124 6.337 1.00 0.00 C ATOM 586 NZ LYS A 131 3.124 -3.428 7.328 1.00 0.00 N ATOM 0 H LYS A 131 3.106 2.190 3.724 1.00 0.00 H new ATOM 0 HA LYS A 131 2.007 -0.411 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.119 -0.222 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.877 0.921 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.116 -0.740 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.191 -1.852 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.337 -1.088 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.707 -1.689 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.228 -3.828 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.436 -3.242 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.463 -4.401 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.914 -2.764 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.743 -3.332 8.291 1.00 0.00 H new ATOM 600 N CYS A 132 -0.323 0.385 2.423 1.00 0.00 N ATOM 601 CA CYS A 132 -1.709 0.885 2.203 1.00 0.00 C ATOM 602 C CYS A 132 -2.445 0.924 3.543 1.00 0.00 C ATOM 603 O CYS A 132 -2.448 -0.035 4.291 1.00 0.00 O ATOM 604 CB CYS A 132 -2.444 -0.051 1.237 1.00 0.00 C ATOM 605 SG CYS A 132 -4.216 0.334 1.241 1.00 0.00 S ATOM 0 H CYS A 132 -0.087 -0.474 1.926 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.676 1.887 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -2.040 0.060 0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.287 -1.089 1.531 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.412 1.472 1.839 1.00 0.00 H new ATOM 610 N SER A 133 -3.069 2.026 3.854 1.00 0.00 N ATOM 611 CA SER A 133 -3.805 2.129 5.148 1.00 0.00 C ATOM 612 C SER A 133 -5.212 1.541 4.993 1.00 0.00 C ATOM 613 O SER A 133 -6.178 2.084 5.490 1.00 0.00 O ATOM 614 CB SER A 133 -3.913 3.599 5.556 1.00 0.00 C ATOM 615 OG SER A 133 -2.637 4.065 5.972 1.00 0.00 O ATOM 0 H SER A 133 -3.102 2.861 3.269 1.00 0.00 H new ATOM 0 HA SER A 133 -3.264 1.574 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.276 4.195 4.719 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.636 3.712 6.364 1.00 0.00 H new ATOM 0 HG SER A 133 -2.559 5.022 5.777 1.00 0.00 H new ATOM 621 N CYS A 134 -5.333 0.437 4.310 1.00 0.00 N ATOM 622 CA CYS A 134 -6.675 -0.184 4.126 1.00 0.00 C ATOM 623 C CYS A 134 -6.518 -1.700 3.995 1.00 0.00 C ATOM 624 O CYS A 134 -7.308 -2.464 4.514 1.00 0.00 O ATOM 625 CB CYS A 134 -7.327 0.372 2.859 1.00 0.00 C ATOM 626 SG CYS A 134 -8.260 1.868 3.266 1.00 0.00 S ATOM 0 H CYS A 134 -4.560 -0.063 3.871 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.303 0.045 4.987 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.564 0.598 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.989 -0.374 2.421 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.725 2.445 4.301 1.00 0.00 H new ATOM 632 N CYS A 135 -5.503 -2.142 3.303 1.00 0.00 N ATOM 633 CA CYS A 135 -5.296 -3.607 3.135 1.00 0.00 C ATOM 634 C CYS A 135 -3.913 -3.994 3.669 1.00 0.00 C ATOM 635 O CYS A 135 -3.602 -5.158 3.823 1.00 0.00 O ATOM 636 CB CYS A 135 -5.393 -3.964 1.652 1.00 0.00 C ATOM 637 SG CYS A 135 -4.207 -2.969 0.717 1.00 0.00 S ATOM 0 H CYS A 135 -4.808 -1.551 2.847 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.060 -4.150 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.188 -5.025 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.404 -3.782 1.288 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.506 -1.710 0.839 1.00 0.00 H new ATOM 642 N GLU A 136 -3.086 -3.023 3.957 1.00 0.00 N ATOM 643 CA GLU A 136 -1.722 -3.320 4.491 1.00 0.00 C ATOM 644 C GLU A 136 -0.786 -3.720 3.347 1.00 0.00 C ATOM 645 O GLU A 136 0.227 -4.356 3.559 1.00 0.00 O ATOM 646 CB GLU A 136 -1.796 -4.463 5.509 1.00 0.00 C ATOM 647 CG GLU A 136 -3.002 -4.261 6.430 1.00 0.00 C ATOM 648 CD GLU A 136 -2.527 -3.728 7.783 1.00 0.00 C ATOM 649 OE1 GLU A 136 -1.504 -4.195 8.255 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.195 -2.862 8.324 1.00 0.00 O ATOM 0 H GLU A 136 -3.297 -2.031 3.845 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.335 -2.425 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -1.879 -5.419 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -0.879 -4.498 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.705 -3.561 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.532 -5.204 6.564 1.00 0.00 H new ATOM 657 N MET A 137 -1.109 -3.350 2.138 1.00 0.00 N ATOM 658 CA MET A 137 -0.226 -3.711 0.993 1.00 0.00 C ATOM 659 C MET A 137 1.134 -3.034 1.172 1.00 0.00 C ATOM 660 O MET A 137 1.348 -2.289 2.108 1.00 0.00 O ATOM 661 CB MET A 137 -0.855 -3.226 -0.315 1.00 0.00 C ATOM 662 CG MET A 137 -0.463 -4.164 -1.457 1.00 0.00 C ATOM 663 SD MET A 137 -1.891 -5.183 -1.904 1.00 0.00 S ATOM 664 CE MET A 137 -1.491 -5.384 -3.658 1.00 0.00 C ATOM 0 H MET A 137 -1.943 -2.815 1.894 1.00 0.00 H new ATOM 0 HA MET A 137 -0.102 -4.793 0.960 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.940 -3.192 -0.217 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.522 -2.212 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.128 -3.587 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.371 -4.797 -1.154 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.257 -5.993 -4.138 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.452 -4.406 -4.137 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.523 -5.875 -3.756 1.00 0.00 H new ATOM 674 N ASN A 138 2.050 -3.279 0.279 1.00 0.00 N ATOM 675 CA ASN A 138 3.391 -2.644 0.390 1.00 0.00 C ATOM 676 C ASN A 138 3.973 -2.460 -1.011 1.00 0.00 C ATOM 677 O ASN A 138 4.171 -3.411 -1.741 1.00 0.00 O ATOM 678 CB ASN A 138 4.316 -3.541 1.216 1.00 0.00 C ATOM 679 CG ASN A 138 3.824 -3.581 2.665 1.00 0.00 C ATOM 680 OD1 ASN A 138 4.152 -2.717 3.454 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.044 -4.554 3.050 1.00 0.00 N ATOM 0 H ASN A 138 1.927 -3.894 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 138 3.300 -1.675 0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.333 -4.548 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.337 -3.163 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 138 2.710 -4.589 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.769 -5.279 2.388 1.00 0.00 H new ATOM 688 N VAL A 139 4.244 -1.244 -1.400 1.00 0.00 N ATOM 689 CA VAL A 139 4.806 -1.012 -2.760 1.00 0.00 C ATOM 690 C VAL A 139 5.904 0.050 -2.696 1.00 0.00 C ATOM 691 O VAL A 139 6.158 0.640 -1.663 1.00 0.00 O ATOM 692 CB VAL A 139 3.693 -0.533 -3.694 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.700 -1.671 -3.933 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.966 0.650 -3.052 1.00 0.00 C ATOM 0 H VAL A 139 4.101 -0.405 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 139 5.229 -1.944 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 139 4.125 -0.224 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.908 -1.329 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.217 -2.515 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.267 -1.981 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.172 0.993 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.534 0.339 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.673 1.462 -2.881 1.00 0.00 H new ATOM 704 N HIS A 140 6.555 0.297 -3.800 1.00 0.00 N ATOM 705 CA HIS A 140 7.637 1.318 -3.824 1.00 0.00 C ATOM 706 C HIS A 140 7.018 2.711 -3.943 1.00 0.00 C ATOM 707 O HIS A 140 5.813 2.864 -3.980 1.00 0.00 O ATOM 708 CB HIS A 140 8.546 1.068 -5.029 1.00 0.00 C ATOM 709 CG HIS A 140 9.557 0.006 -4.694 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.461 -1.288 -5.185 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.693 0.032 -3.924 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.513 -1.980 -4.707 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.295 -1.222 -3.934 1.00 0.00 N ATOM 0 H HIS A 140 6.382 -0.168 -4.691 1.00 0.00 H new ATOM 0 HA HIS A 140 8.219 1.252 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.950 0.758 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.054 1.990 -5.310 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.728 -1.649 -5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.063 0.895 -3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.701 -3.021 -4.923 1.00 0.00 H new ATOM 720 N ARG A 141 7.833 3.726 -4.013 1.00 0.00 N ATOM 721 CA ARG A 141 7.293 5.107 -4.141 1.00 0.00 C ATOM 722 C ARG A 141 6.983 5.386 -5.612 1.00 0.00 C ATOM 723 O ARG A 141 6.202 6.257 -5.940 1.00 0.00 O ATOM 724 CB ARG A 141 8.333 6.109 -3.636 1.00 0.00 C ATOM 725 CG ARG A 141 7.775 6.862 -2.426 1.00 0.00 C ATOM 726 CD ARG A 141 8.173 8.336 -2.516 1.00 0.00 C ATOM 727 NE ARG A 141 8.234 8.919 -1.146 1.00 0.00 N ATOM 728 CZ ARG A 141 8.371 10.207 -0.990 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.749 11.031 -1.789 1.00 0.00 N ATOM 730 NH2 ARG A 141 9.130 10.672 -0.035 1.00 0.00 N ATOM 0 H ARG A 141 8.850 3.658 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 141 6.383 5.205 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.251 5.589 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.590 6.812 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.689 6.768 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.159 6.426 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.141 8.433 -3.007 1.00 0.00 H new ATOM 0 HD3 ARG A 141 7.451 8.882 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 141 8.169 8.311 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 141 7.156 10.668 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 141 7.856 12.038 -1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 141 9.616 10.028 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 141 9.237 11.679 0.087 1.00 0.00 H new ATOM 744 N ARG A 142 7.590 4.647 -6.500 1.00 0.00 N ATOM 745 CA ARG A 142 7.333 4.857 -7.953 1.00 0.00 C ATOM 746 C ARG A 142 6.522 3.680 -8.501 1.00 0.00 C ATOM 747 O ARG A 142 6.176 3.642 -9.665 1.00 0.00 O ATOM 748 CB ARG A 142 8.669 4.950 -8.695 1.00 0.00 C ATOM 749 CG ARG A 142 8.420 4.931 -10.204 1.00 0.00 C ATOM 750 CD ARG A 142 9.723 5.245 -10.942 1.00 0.00 C ATOM 751 NE ARG A 142 9.454 5.336 -12.405 1.00 0.00 N ATOM 752 CZ ARG A 142 10.440 5.260 -13.257 1.00 0.00 C ATOM 753 NH1 ARG A 142 11.547 5.912 -13.033 1.00 0.00 N ATOM 754 NH2 ARG A 142 10.318 4.531 -14.333 1.00 0.00 N ATOM 0 H ARG A 142 8.255 3.905 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 142 6.772 5.781 -8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.190 5.865 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.313 4.117 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 142 8.044 3.954 -10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 142 7.656 5.663 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.142 6.183 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.462 4.468 -10.745 1.00 0.00 H new ATOM 0 HE ARG A 142 8.499 5.458 -12.741 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.642 6.481 -12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.317 5.853 -13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.452 4.021 -14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.088 4.472 -14.999 1.00 0.00 H new ATOM 768 N CYS A 143 6.214 2.718 -7.672 1.00 0.00 N ATOM 769 CA CYS A 143 5.427 1.545 -8.149 1.00 0.00 C ATOM 770 C CYS A 143 3.932 1.836 -7.984 1.00 0.00 C ATOM 771 O CYS A 143 3.091 1.110 -8.476 1.00 0.00 O ATOM 772 CB CYS A 143 5.799 0.310 -7.325 1.00 0.00 C ATOM 773 SG CYS A 143 7.303 -0.438 -7.999 1.00 0.00 S ATOM 0 H CYS A 143 6.474 2.694 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 143 5.650 1.360 -9.200 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.955 0.589 -6.283 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.982 -0.411 -7.343 1.00 0.00 H new ATOM 0 HG CYS A 143 8.280 0.417 -7.932 1.00 0.00 H new ATOM 778 N VAL A 144 3.597 2.894 -7.297 1.00 0.00 N ATOM 779 CA VAL A 144 2.157 3.230 -7.103 1.00 0.00 C ATOM 780 C VAL A 144 1.532 3.595 -8.451 1.00 0.00 C ATOM 781 O VAL A 144 0.384 3.296 -8.717 1.00 0.00 O ATOM 782 CB VAL A 144 2.039 4.419 -6.148 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.565 4.784 -5.966 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.643 4.046 -4.793 1.00 0.00 C ATOM 0 H VAL A 144 4.256 3.539 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 144 1.635 2.370 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 144 2.575 5.272 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.481 5.631 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.134 5.050 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.027 3.931 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.559 4.893 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.107 3.192 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.694 3.787 -4.922 1.00 0.00 H new ATOM 794 N ARG A 145 2.277 4.241 -9.307 1.00 0.00 N ATOM 795 CA ARG A 145 1.725 4.626 -10.637 1.00 0.00 C ATOM 796 C ARG A 145 1.659 3.394 -11.544 1.00 0.00 C ATOM 797 O ARG A 145 1.203 3.464 -12.668 1.00 0.00 O ATOM 798 CB ARG A 145 2.630 5.680 -11.277 1.00 0.00 C ATOM 799 CG ARG A 145 1.793 6.898 -11.677 1.00 0.00 C ATOM 800 CD ARG A 145 1.002 6.581 -12.947 1.00 0.00 C ATOM 801 NE ARG A 145 -0.237 7.408 -12.981 1.00 0.00 N ATOM 802 CZ ARG A 145 -0.676 7.879 -14.116 1.00 0.00 C ATOM 803 NH1 ARG A 145 -0.334 7.304 -15.237 1.00 0.00 N ATOM 804 NH2 ARG A 145 -1.458 8.923 -14.131 1.00 0.00 N ATOM 0 H ARG A 145 3.245 4.519 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 145 0.722 5.034 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.412 5.977 -10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.127 5.264 -12.153 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.112 7.165 -10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.441 7.758 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 145 1.611 6.784 -13.828 1.00 0.00 H new ATOM 0 HD3 ARG A 145 0.746 5.522 -12.974 1.00 0.00 H new ATOM 0 HE ARG A 145 -0.742 7.606 -12.117 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.276 6.487 -15.226 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.677 7.672 -16.124 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -1.727 9.372 -13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -1.801 9.291 -15.019 1.00 0.00 H new ATOM 818 N SER A 146 2.110 2.266 -11.066 1.00 0.00 N ATOM 819 CA SER A 146 2.072 1.034 -11.904 1.00 0.00 C ATOM 820 C SER A 146 0.958 0.108 -11.408 1.00 0.00 C ATOM 821 O SER A 146 0.693 -0.925 -11.989 1.00 0.00 O ATOM 822 CB SER A 146 3.416 0.312 -11.807 1.00 0.00 C ATOM 823 OG SER A 146 4.465 1.232 -12.081 1.00 0.00 O ATOM 0 H SER A 146 2.503 2.145 -10.132 1.00 0.00 H new ATOM 0 HA SER A 146 1.879 1.308 -12.941 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.542 -0.114 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.449 -0.516 -12.515 1.00 0.00 H new ATOM 0 HG SER A 146 5.328 0.772 -12.018 1.00 0.00 H new ATOM 829 N VAL A 147 0.303 0.471 -10.338 1.00 0.00 N ATOM 830 CA VAL A 147 -0.792 -0.390 -9.807 1.00 0.00 C ATOM 831 C VAL A 147 -2.144 0.159 -10.279 1.00 0.00 C ATOM 832 O VAL A 147 -2.337 1.357 -10.328 1.00 0.00 O ATOM 833 CB VAL A 147 -0.742 -0.384 -8.277 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.726 -1.419 -7.727 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.674 -0.732 -7.814 1.00 0.00 C ATOM 0 H VAL A 147 0.479 1.326 -9.810 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.668 -1.410 -10.171 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.014 0.605 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.689 -1.413 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.735 -1.173 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.456 -2.409 -8.094 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.712 -0.728 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.945 -1.721 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.376 0.005 -8.204 1.00 0.00 H new ATOM 845 N PRO A 148 -3.042 -0.736 -10.612 1.00 0.00 N ATOM 846 CA PRO A 148 -4.391 -0.370 -11.083 1.00 0.00 C ATOM 847 C PRO A 148 -5.308 -0.021 -9.903 1.00 0.00 C ATOM 848 O PRO A 148 -6.516 -0.003 -10.032 1.00 0.00 O ATOM 849 CB PRO A 148 -4.879 -1.641 -11.783 1.00 0.00 C ATOM 850 CG PRO A 148 -4.059 -2.811 -11.190 1.00 0.00 C ATOM 851 CD PRO A 148 -2.797 -2.192 -10.558 1.00 0.00 C ATOM 0 HA PRO A 148 -4.389 0.506 -11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.946 -1.791 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.732 -1.571 -12.861 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.640 -3.352 -10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.791 -3.528 -11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.656 -2.534 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.899 -2.466 -11.112 1.00 0.00 H new ATOM 859 N SER A 149 -4.750 0.253 -8.754 1.00 0.00 N ATOM 860 CA SER A 149 -5.600 0.593 -7.580 1.00 0.00 C ATOM 861 C SER A 149 -6.519 -0.587 -7.266 1.00 0.00 C ATOM 862 O SER A 149 -7.720 -0.440 -7.152 1.00 0.00 O ATOM 863 CB SER A 149 -6.441 1.829 -7.900 1.00 0.00 C ATOM 864 OG SER A 149 -7.446 1.984 -6.908 1.00 0.00 O ATOM 0 H SER A 149 -3.745 0.256 -8.579 1.00 0.00 H new ATOM 0 HA SER A 149 -4.968 0.802 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.807 2.715 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.898 1.727 -8.884 1.00 0.00 H new ATOM 0 HG SER A 149 -8.014 1.185 -6.890 1.00 0.00 H new ATOM 870 N LEU A 150 -5.963 -1.760 -7.128 1.00 0.00 N ATOM 871 CA LEU A 150 -6.802 -2.954 -6.825 1.00 0.00 C ATOM 872 C LEU A 150 -7.006 -3.063 -5.314 1.00 0.00 C ATOM 873 O LEU A 150 -6.673 -4.060 -4.703 1.00 0.00 O ATOM 874 CB LEU A 150 -6.098 -4.212 -7.336 1.00 0.00 C ATOM 875 CG LEU A 150 -7.142 -5.227 -7.805 1.00 0.00 C ATOM 876 CD1 LEU A 150 -7.295 -5.138 -9.325 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.687 -6.638 -7.422 1.00 0.00 C ATOM 0 H LEU A 150 -4.963 -1.943 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.770 -2.853 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.428 -3.958 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.484 -4.644 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.099 -5.010 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.039 -5.861 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -7.617 -4.134 -9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.339 -5.356 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.430 -7.363 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -5.730 -6.854 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.577 -6.703 -6.340 1.00 0.00 H new ATOM 889 N CYS A 151 -7.554 -2.049 -4.703 1.00 0.00 N ATOM 890 CA CYS A 151 -7.779 -2.100 -3.231 1.00 0.00 C ATOM 891 C CYS A 151 -9.238 -2.463 -2.953 1.00 0.00 C ATOM 892 O CYS A 151 -10.134 -1.660 -3.134 1.00 0.00 O ATOM 893 CB CYS A 151 -7.464 -0.735 -2.618 1.00 0.00 C ATOM 894 SG CYS A 151 -7.428 -0.879 -0.813 1.00 0.00 S ATOM 0 H CYS A 151 -7.856 -1.188 -5.159 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.127 -2.853 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.503 -0.373 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.216 -0.006 -2.921 1.00 0.00 H new ATOM 0 HG CYS A 151 -7.158 0.280 -0.290 1.00 0.00 H new