USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=23 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 113 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 138 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Set 2.1: A 109 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 115 CYS SG : rot 118:sc= -0.569! USER MOD Set 3.2: A 118 CYS SG : rot -60:sc= -5.78! USER MOD Set 3.3: A 140 HIS : no HE2:sc= -17.3! C(o=-25!,f=-29!) USER MOD Set 3.4: A 143 CYS SG : rot -99:sc= -1.61! USER MOD Set 4.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 127 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=0) USER MOD Set 5.1: A 102 HIS : no HE2:sc= -6.53 K(o=-12,f=-15!) USER MOD Set 5.2: A 132 CYS SG : rot -2:sc= -0.506 USER MOD Set 5.3: A 135 CYS SG : rot -56:sc= -1.28! USER MOD Set 5.4: A 151 CYS SG : rot 121:sc= -3.86! USER MOD Single : A 103 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.26) USER MOD Single : A 107 HIS : no HD1:sc= 0.0128 X(o=0.013,f=-0.36) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.7!) 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 128 GLN :FLIP amide:sc= -4.74 F(o=-8.9!,f=-4.7) USER MOD Single : A 130 MET CE :methyl 146:sc= -6.15! (180deg=-10.3!) USER MOD Single : A 133 SER OG : rot 66:sc= -1.6! USER MOD Single : A 134 CYS SG : rot 36:sc= -0.295 USER MOD Single : A 137 MET CE :methyl -110:sc= -3.06! (180deg=-6.41!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 56:sc= -0.0763 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.762 2.688 -2.983 1.00 0.00 N ATOM 133 CA HIS A 102 -4.968 2.250 -1.801 1.00 0.00 C ATOM 134 C HIS A 102 -4.633 3.462 -0.930 1.00 0.00 C ATOM 135 O HIS A 102 -4.304 4.522 -1.425 1.00 0.00 O ATOM 136 CB HIS A 102 -3.659 1.604 -2.263 1.00 0.00 C ATOM 137 CG HIS A 102 -3.949 0.437 -3.164 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.403 -0.779 -2.680 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.834 0.281 -4.522 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.542 -1.608 -3.731 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.209 -1.011 -4.879 1.00 0.00 N ATOM 0 HA HIS A 102 -5.555 1.530 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.049 2.337 -2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.083 1.272 -1.399 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.597 -1.005 -1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.503 1.045 -5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.881 -2.631 -3.656 1.00 0.00 H new ATOM 148 N LYS A 103 -4.692 3.309 0.363 1.00 0.00 N ATOM 149 CA LYS A 103 -4.353 4.446 1.261 1.00 0.00 C ATOM 150 C LYS A 103 -2.854 4.393 1.557 1.00 0.00 C ATOM 151 O LYS A 103 -2.429 4.459 2.693 1.00 0.00 O ATOM 152 CB LYS A 103 -5.142 4.324 2.567 1.00 0.00 C ATOM 153 CG LYS A 103 -6.472 5.066 2.431 1.00 0.00 C ATOM 154 CD LYS A 103 -6.508 6.238 3.412 1.00 0.00 C ATOM 155 CE LYS A 103 -6.632 7.552 2.636 1.00 0.00 C ATOM 156 NZ LYS A 103 -5.386 7.786 1.854 1.00 0.00 N ATOM 0 H LYS A 103 -4.960 2.446 0.836 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.608 5.392 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.321 3.274 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.565 4.739 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.595 5.429 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.301 4.387 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.349 6.127 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.602 6.246 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.492 7.512 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.802 8.379 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.217 8.809 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.582 7.343 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.488 7.370 0.906 1.00 0.00 H new ATOM 170 N PHE A 104 -2.055 4.257 0.531 1.00 0.00 N ATOM 171 CA PHE A 104 -0.579 4.177 0.722 1.00 0.00 C ATOM 172 C PHE A 104 -0.133 5.157 1.809 1.00 0.00 C ATOM 173 O PHE A 104 -0.581 6.285 1.869 1.00 0.00 O ATOM 174 CB PHE A 104 0.119 4.524 -0.594 1.00 0.00 C ATOM 175 CG PHE A 104 -0.011 3.365 -1.556 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.601 2.139 -1.261 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.740 3.515 -2.742 1.00 0.00 C ATOM 178 CE1 PHE A 104 0.482 1.065 -2.151 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.859 2.440 -3.633 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.247 1.214 -3.337 1.00 0.00 C ATOM 0 H PHE A 104 -2.366 4.198 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.313 3.165 1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.324 5.421 -1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.171 4.743 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.164 2.023 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.211 4.460 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.953 0.120 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.422 2.556 -4.547 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.338 0.385 -4.023 1.00 0.00 H new ATOM 190 N ARG A 105 0.751 4.729 2.668 1.00 0.00 N ATOM 191 CA ARG A 105 1.239 5.623 3.754 1.00 0.00 C ATOM 192 C ARG A 105 2.677 5.241 4.108 1.00 0.00 C ATOM 193 O ARG A 105 2.917 4.303 4.842 1.00 0.00 O ATOM 194 CB ARG A 105 0.348 5.458 4.989 1.00 0.00 C ATOM 195 CG ARG A 105 0.213 6.803 5.705 1.00 0.00 C ATOM 196 CD ARG A 105 -0.897 6.713 6.755 1.00 0.00 C ATOM 197 NE ARG A 105 -0.982 8.001 7.500 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.142 7.996 8.795 1.00 0.00 C ATOM 199 NH1 ARG A 105 -0.126 7.755 9.577 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.319 8.233 9.308 1.00 0.00 N ATOM 0 H ARG A 105 1.158 3.794 2.664 1.00 0.00 H new ATOM 0 HA ARG A 105 1.206 6.660 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.635 5.091 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.777 4.717 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.157 7.070 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.016 7.589 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.851 6.495 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.694 5.894 7.445 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.915 8.886 6.998 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.794 7.570 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.251 7.751 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.113 8.422 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.444 8.229 10.320 1.00 0.00 H new ATOM 214 N LEU A 106 3.637 5.956 3.588 1.00 0.00 N ATOM 215 CA LEU A 106 5.055 5.628 3.895 1.00 0.00 C ATOM 216 C LEU A 106 5.262 5.637 5.410 1.00 0.00 C ATOM 217 O LEU A 106 4.920 6.586 6.088 1.00 0.00 O ATOM 218 CB LEU A 106 5.972 6.665 3.238 1.00 0.00 C ATOM 219 CG LEU A 106 5.913 7.977 4.022 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.808 9.017 3.347 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.471 8.488 4.055 1.00 0.00 C ATOM 0 H LEU A 106 3.499 6.752 2.965 1.00 0.00 H new ATOM 0 HA LEU A 106 5.295 4.639 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.996 6.293 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.666 6.833 2.206 1.00 0.00 H new ATOM 0 HG LEU A 106 6.261 7.806 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.765 9.952 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.835 8.654 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.462 9.188 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.429 9.423 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.122 8.658 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.834 7.748 4.538 1.00 0.00 H new ATOM 233 N HIS A 107 5.813 4.587 5.948 1.00 0.00 N ATOM 234 CA HIS A 107 6.037 4.534 7.419 1.00 0.00 C ATOM 235 C HIS A 107 7.537 4.616 7.710 1.00 0.00 C ATOM 236 O HIS A 107 8.350 4.697 6.811 1.00 0.00 O ATOM 237 CB HIS A 107 5.478 3.223 7.973 1.00 0.00 C ATOM 238 CG HIS A 107 4.791 3.487 9.284 1.00 0.00 C ATOM 239 ND1 HIS A 107 5.353 3.127 10.500 1.00 0.00 N ATOM 240 CD2 HIS A 107 3.589 4.076 9.587 1.00 0.00 C ATOM 241 CE1 HIS A 107 4.496 3.501 11.468 1.00 0.00 C ATOM 242 NE2 HIS A 107 3.404 4.084 10.966 1.00 0.00 N ATOM 0 H HIS A 107 6.119 3.762 5.432 1.00 0.00 H new ATOM 0 HA HIS A 107 5.530 5.373 7.895 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.776 2.786 7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.283 2.501 8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.892 4.473 8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.670 3.348 12.523 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.606 4.455 11.482 1.00 0.00 H new ATOM 250 N SER A 108 7.911 4.598 8.961 1.00 0.00 N ATOM 251 CA SER A 108 9.358 4.679 9.306 1.00 0.00 C ATOM 252 C SER A 108 9.832 3.334 9.859 1.00 0.00 C ATOM 253 O SER A 108 10.552 3.274 10.837 1.00 0.00 O ATOM 254 CB SER A 108 9.569 5.766 10.359 1.00 0.00 C ATOM 255 OG SER A 108 8.591 6.782 10.188 1.00 0.00 O ATOM 0 H SER A 108 7.277 4.531 9.758 1.00 0.00 H new ATOM 0 HA SER A 108 9.930 4.922 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.495 5.339 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.569 6.189 10.266 1.00 0.00 H new ATOM 0 HG SER A 108 8.723 7.480 10.863 1.00 0.00 H new ATOM 261 N TYR A 109 9.439 2.254 9.242 1.00 0.00 N ATOM 262 CA TYR A 109 9.873 0.915 9.736 1.00 0.00 C ATOM 263 C TYR A 109 11.392 0.909 9.916 1.00 0.00 C ATOM 264 O TYR A 109 12.123 1.465 9.120 1.00 0.00 O ATOM 265 CB TYR A 109 9.479 -0.157 8.718 1.00 0.00 C ATOM 266 CG TYR A 109 8.002 -0.060 8.423 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.069 -0.199 9.459 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.563 0.168 7.111 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.698 -0.111 9.185 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.192 0.257 6.837 1.00 0.00 C ATOM 271 CZ TYR A 109 5.260 0.118 7.874 1.00 0.00 C ATOM 272 OH TYR A 109 3.909 0.205 7.603 1.00 0.00 O ATOM 0 H TYR A 109 8.837 2.240 8.419 1.00 0.00 H new ATOM 0 HA TYR A 109 9.390 0.705 10.690 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.052 -0.028 7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.718 -1.147 9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.407 -0.374 10.470 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.282 0.275 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.979 -0.220 9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.853 0.433 5.827 1.00 0.00 H new ATOM 0 HH TYR A 109 3.440 0.558 8.388 1.00 0.00 H new ATOM 282 N SER A 110 11.875 0.283 10.955 1.00 0.00 N ATOM 283 CA SER A 110 13.348 0.241 11.179 1.00 0.00 C ATOM 284 C SER A 110 14.051 -0.068 9.856 1.00 0.00 C ATOM 285 O SER A 110 15.109 0.452 9.566 1.00 0.00 O ATOM 286 CB SER A 110 13.677 -0.848 12.200 1.00 0.00 C ATOM 287 OG SER A 110 15.065 -0.802 12.504 1.00 0.00 O ATOM 0 H SER A 110 11.314 -0.200 11.657 1.00 0.00 H new ATOM 0 HA SER A 110 13.689 1.205 11.557 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.089 -0.702 13.106 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.412 -1.828 11.802 1.00 0.00 H new ATOM 0 HG SER A 110 15.280 -1.498 13.160 1.00 0.00 H new ATOM 293 N SER A 111 13.465 -0.912 9.051 1.00 0.00 N ATOM 294 CA SER A 111 14.090 -1.256 7.744 1.00 0.00 C ATOM 295 C SER A 111 13.005 -1.277 6.664 1.00 0.00 C ATOM 296 O SER A 111 11.830 -1.271 6.973 1.00 0.00 O ATOM 297 CB SER A 111 14.742 -2.637 7.841 1.00 0.00 C ATOM 298 OG SER A 111 15.165 -2.862 9.179 1.00 0.00 O ATOM 0 H SER A 111 12.579 -1.379 9.243 1.00 0.00 H new ATOM 0 HA SER A 111 14.849 -0.516 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.035 -3.408 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.593 -2.699 7.163 1.00 0.00 H new ATOM 0 HG SER A 111 15.582 -3.746 9.246 1.00 0.00 H new ATOM 304 N PRO A 112 13.430 -1.298 5.428 1.00 0.00 N ATOM 305 CA PRO A 112 12.510 -1.317 4.279 1.00 0.00 C ATOM 306 C PRO A 112 11.917 -2.715 4.093 1.00 0.00 C ATOM 307 O PRO A 112 12.606 -3.713 4.179 1.00 0.00 O ATOM 308 CB PRO A 112 13.402 -0.925 3.097 1.00 0.00 C ATOM 309 CG PRO A 112 14.854 -1.247 3.520 1.00 0.00 C ATOM 310 CD PRO A 112 14.860 -1.310 5.060 1.00 0.00 C ATOM 0 HA PRO A 112 11.658 -0.647 4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.126 -1.481 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.292 0.134 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.181 -2.195 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.541 -0.481 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.356 -2.211 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.390 -0.461 5.491 1.00 0.00 H new ATOM 318 N THR A 113 10.639 -2.793 3.844 1.00 0.00 N ATOM 319 CA THR A 113 9.994 -4.121 3.656 1.00 0.00 C ATOM 320 C THR A 113 10.069 -4.510 2.183 1.00 0.00 C ATOM 321 O THR A 113 10.507 -3.743 1.352 1.00 0.00 O ATOM 322 CB THR A 113 8.529 -4.042 4.092 1.00 0.00 C ATOM 323 OG1 THR A 113 8.394 -3.068 5.117 1.00 0.00 O ATOM 324 CG2 THR A 113 8.075 -5.404 4.616 1.00 0.00 C ATOM 0 H THR A 113 10.013 -1.992 3.763 1.00 0.00 H new ATOM 0 HA THR A 113 10.509 -4.869 4.258 1.00 0.00 H new ATOM 0 HB THR A 113 7.911 -3.761 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.456 -3.015 5.396 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.032 -5.345 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.178 -6.150 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.691 -5.690 5.469 1.00 0.00 H new ATOM 332 N PHE A 114 9.650 -5.697 1.851 1.00 0.00 N ATOM 333 CA PHE A 114 9.710 -6.129 0.427 1.00 0.00 C ATOM 334 C PHE A 114 8.539 -5.516 -0.344 1.00 0.00 C ATOM 335 O PHE A 114 7.532 -5.145 0.225 1.00 0.00 O ATOM 336 CB PHE A 114 9.625 -7.656 0.353 1.00 0.00 C ATOM 337 CG PHE A 114 11.012 -8.248 0.411 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.665 -8.382 1.644 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.646 -8.667 -0.766 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.951 -8.937 1.699 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.932 -9.220 -0.711 1.00 0.00 C ATOM 342 CZ PHE A 114 13.585 -9.355 0.522 1.00 0.00 C ATOM 0 H PHE A 114 9.270 -6.385 2.500 1.00 0.00 H new ATOM 0 HA PHE A 114 10.649 -5.795 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.022 -8.036 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.129 -7.958 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.177 -8.058 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.143 -8.564 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.453 -9.042 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.420 -9.542 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.576 -9.781 0.564 1.00 0.00 H new ATOM 352 N CYS A 115 8.669 -5.406 -1.638 1.00 0.00 N ATOM 353 CA CYS A 115 7.572 -4.815 -2.454 1.00 0.00 C ATOM 354 C CYS A 115 6.707 -5.936 -3.034 1.00 0.00 C ATOM 355 O CYS A 115 7.199 -6.979 -3.421 1.00 0.00 O ATOM 356 CB CYS A 115 8.185 -3.985 -3.581 1.00 0.00 C ATOM 357 SG CYS A 115 6.883 -3.289 -4.624 1.00 0.00 S ATOM 0 H CYS A 115 9.490 -5.701 -2.166 1.00 0.00 H new ATOM 0 HA CYS A 115 6.946 -4.174 -1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.793 -3.183 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.848 -4.608 -4.182 1.00 0.00 H new ATOM 0 HG CYS A 115 6.934 -1.991 -4.574 1.00 0.00 H new ATOM 362 N ASP A 116 5.421 -5.733 -3.084 1.00 0.00 N ATOM 363 CA ASP A 116 4.512 -6.791 -3.619 1.00 0.00 C ATOM 364 C ASP A 116 4.214 -6.536 -5.099 1.00 0.00 C ATOM 365 O ASP A 116 3.726 -7.401 -5.800 1.00 0.00 O ATOM 366 CB ASP A 116 3.200 -6.780 -2.830 1.00 0.00 C ATOM 367 CG ASP A 116 2.423 -5.500 -3.144 1.00 0.00 C ATOM 368 OD1 ASP A 116 3.042 -4.450 -3.186 1.00 0.00 O ATOM 369 OD2 ASP A 116 1.222 -5.593 -3.338 1.00 0.00 O ATOM 0 H ASP A 116 4.956 -4.878 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 116 4.999 -7.761 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.601 -7.653 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.406 -6.839 -1.761 1.00 0.00 H new ATOM 374 N HIS A 117 4.497 -5.360 -5.580 1.00 0.00 N ATOM 375 CA HIS A 117 4.223 -5.056 -7.011 1.00 0.00 C ATOM 376 C HIS A 117 5.437 -5.439 -7.862 1.00 0.00 C ATOM 377 O HIS A 117 5.307 -5.787 -9.019 1.00 0.00 O ATOM 378 CB HIS A 117 3.942 -3.559 -7.169 1.00 0.00 C ATOM 379 CG HIS A 117 3.812 -3.224 -8.629 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.583 -2.996 -9.228 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.747 -3.075 -9.623 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.809 -2.724 -10.526 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.112 -2.759 -10.820 1.00 0.00 N ATOM 0 H HIS A 117 4.907 -4.595 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 117 3.356 -5.628 -7.342 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.026 -3.292 -6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.749 -2.978 -6.722 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.814 -3.186 -9.495 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.032 -2.504 -11.243 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.547 -2.590 -11.727 1.00 0.00 H new ATOM 391 N CYS A 118 6.615 -5.383 -7.302 1.00 0.00 N ATOM 392 CA CYS A 118 7.825 -5.750 -8.092 1.00 0.00 C ATOM 393 C CYS A 118 8.564 -6.901 -7.400 1.00 0.00 C ATOM 394 O CYS A 118 9.337 -7.609 -8.013 1.00 0.00 O ATOM 395 CB CYS A 118 8.752 -4.537 -8.209 1.00 0.00 C ATOM 396 SG CYS A 118 9.162 -3.929 -6.558 1.00 0.00 S ATOM 0 H CYS A 118 6.791 -5.101 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 118 7.521 -6.067 -9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.662 -4.812 -8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.268 -3.750 -8.788 1.00 0.00 H new ATOM 0 HG CYS A 118 8.073 -3.576 -5.943 1.00 0.00 H new ATOM 401 N GLY A 119 8.327 -7.099 -6.131 1.00 0.00 N ATOM 402 CA GLY A 119 9.013 -8.212 -5.411 1.00 0.00 C ATOM 403 C GLY A 119 10.468 -7.830 -5.124 1.00 0.00 C ATOM 404 O GLY A 119 11.361 -8.649 -5.205 1.00 0.00 O ATOM 0 H GLY A 119 7.690 -6.540 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.494 -8.427 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.978 -9.121 -6.012 1.00 0.00 H new ATOM 408 N SER A 120 10.712 -6.594 -4.787 1.00 0.00 N ATOM 409 CA SER A 120 12.108 -6.163 -4.493 1.00 0.00 C ATOM 410 C SER A 120 12.123 -5.345 -3.200 1.00 0.00 C ATOM 411 O SER A 120 11.255 -4.529 -2.961 1.00 0.00 O ATOM 412 CB SER A 120 12.632 -5.305 -5.644 1.00 0.00 C ATOM 413 OG SER A 120 12.885 -6.133 -6.771 1.00 0.00 O ATOM 0 H SER A 120 10.005 -5.863 -4.702 1.00 0.00 H new ATOM 0 HA SER A 120 12.744 -7.041 -4.378 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.903 -4.536 -5.900 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.545 -4.792 -5.343 1.00 0.00 H new ATOM 0 HG SER A 120 13.220 -5.585 -7.511 1.00 0.00 H new ATOM 419 N LEU A 121 13.100 -5.558 -2.360 1.00 0.00 N ATOM 420 CA LEU A 121 13.163 -4.790 -1.085 1.00 0.00 C ATOM 421 C LEU A 121 13.193 -3.291 -1.379 1.00 0.00 C ATOM 422 O LEU A 121 13.865 -2.836 -2.284 1.00 0.00 O ATOM 423 CB LEU A 121 14.419 -5.180 -0.305 1.00 0.00 C ATOM 424 CG LEU A 121 14.091 -6.333 0.643 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.386 -7.010 1.092 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.349 -5.785 1.866 1.00 0.00 C ATOM 0 H LEU A 121 13.855 -6.229 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 121 12.280 -5.023 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.211 -5.475 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.790 -4.325 0.260 1.00 0.00 H new ATOM 0 HG LEU A 121 13.463 -7.061 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.151 -7.832 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.916 -7.396 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.016 -6.285 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.113 -6.604 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.979 -5.059 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.426 -5.302 1.545 1.00 0.00 H new ATOM 438 N LEU A 122 12.469 -2.524 -0.615 1.00 0.00 N ATOM 439 CA LEU A 122 12.448 -1.051 -0.835 1.00 0.00 C ATOM 440 C LEU A 122 13.793 -0.454 -0.414 1.00 0.00 C ATOM 441 O LEU A 122 13.968 -0.028 0.711 1.00 0.00 O ATOM 442 CB LEU A 122 11.328 -0.430 0.001 1.00 0.00 C ATOM 443 CG LEU A 122 10.028 -1.200 -0.232 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.157 -1.127 1.023 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.273 -0.579 -1.411 1.00 0.00 C ATOM 0 H LEU A 122 11.888 -2.854 0.156 1.00 0.00 H new ATOM 0 HA LEU A 122 12.273 -0.841 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.593 -0.455 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.196 0.617 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 122 10.259 -2.242 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.231 -1.676 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.693 -1.567 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.926 -0.085 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.346 -1.127 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.044 0.463 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.892 -0.630 -2.307 1.00 0.00 H new ATOM 457 N TYR A 123 14.742 -0.419 -1.308 1.00 0.00 N ATOM 458 CA TYR A 123 16.074 0.151 -0.959 1.00 0.00 C ATOM 459 C TYR A 123 15.886 1.508 -0.278 1.00 0.00 C ATOM 460 O TYR A 123 14.782 1.995 -0.138 1.00 0.00 O ATOM 461 CB TYR A 123 16.902 0.330 -2.234 1.00 0.00 C ATOM 462 CG TYR A 123 16.906 -0.960 -3.018 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.731 -2.021 -2.619 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.087 -1.097 -4.147 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.735 -3.218 -3.348 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.091 -2.294 -4.876 1.00 0.00 C ATOM 467 CZ TYR A 123 16.916 -3.354 -4.475 1.00 0.00 C ATOM 468 OH TYR A 123 16.921 -4.532 -5.194 1.00 0.00 O ATOM 0 H TYR A 123 14.653 -0.760 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 123 16.593 -0.527 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.486 1.135 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.923 0.617 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.363 -1.916 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.452 -0.279 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.370 -4.036 -3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 123 15.459 -2.400 -5.746 1.00 0.00 H new ATOM 0 HH TYR A 123 16.295 -4.460 -5.945 1.00 0.00 H new ATOM 478 N GLY A 124 16.957 2.122 0.148 1.00 0.00 N ATOM 479 CA GLY A 124 16.838 3.447 0.820 1.00 0.00 C ATOM 480 C GLY A 124 16.193 4.451 -0.138 1.00 0.00 C ATOM 481 O GLY A 124 15.726 5.497 0.268 1.00 0.00 O ATOM 0 H GLY A 124 17.908 1.763 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.237 3.355 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.823 3.801 1.126 1.00 0.00 H new ATOM 485 N LEU A 125 16.164 4.141 -1.405 1.00 0.00 N ATOM 486 CA LEU A 125 15.550 5.080 -2.387 1.00 0.00 C ATOM 487 C LEU A 125 14.138 5.451 -1.926 1.00 0.00 C ATOM 488 O LEU A 125 13.582 6.448 -2.342 1.00 0.00 O ATOM 489 CB LEU A 125 15.476 4.408 -3.759 1.00 0.00 C ATOM 490 CG LEU A 125 16.890 4.224 -4.314 1.00 0.00 C ATOM 491 CD1 LEU A 125 16.824 3.467 -5.641 1.00 0.00 C ATOM 492 CD2 LEU A 125 17.529 5.595 -4.543 1.00 0.00 C ATOM 0 H LEU A 125 16.538 3.279 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 125 16.159 5.981 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.978 3.442 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.882 5.016 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 125 17.488 3.656 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.832 3.336 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.368 2.490 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.226 4.034 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.536 5.465 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.930 6.161 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.577 6.136 -3.598 1.00 0.00 H new ATOM 504 N VAL A 126 13.553 4.658 -1.071 1.00 0.00 N ATOM 505 CA VAL A 126 12.177 4.969 -0.589 1.00 0.00 C ATOM 506 C VAL A 126 12.157 4.955 0.941 1.00 0.00 C ATOM 507 O VAL A 126 12.615 4.021 1.571 1.00 0.00 O ATOM 508 CB VAL A 126 11.195 3.922 -1.122 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.648 4.381 -2.474 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.915 2.582 -1.295 1.00 0.00 C ATOM 0 H VAL A 126 13.967 3.809 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 126 11.883 5.955 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 126 10.374 3.804 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.949 3.637 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.134 5.334 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.471 4.499 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 126 11.214 1.839 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.737 2.699 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 126 12.307 2.253 -0.333 1.00 0.00 H new ATOM 520 N HIS A 127 11.633 5.986 1.545 1.00 0.00 N ATOM 521 CA HIS A 127 11.585 6.034 3.034 1.00 0.00 C ATOM 522 C HIS A 127 10.992 4.731 3.570 1.00 0.00 C ATOM 523 O HIS A 127 9.793 4.594 3.707 1.00 0.00 O ATOM 524 CB HIS A 127 10.715 7.211 3.480 1.00 0.00 C ATOM 525 CG HIS A 127 10.790 7.348 4.975 1.00 0.00 C ATOM 526 ND1 HIS A 127 9.692 7.707 5.741 1.00 0.00 N ATOM 527 CD2 HIS A 127 11.824 7.175 5.861 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.088 7.739 7.026 1.00 0.00 C ATOM 529 NE2 HIS A 127 11.378 7.423 7.156 1.00 0.00 N ATOM 0 H HIS A 127 11.236 6.798 1.072 1.00 0.00 H new ATOM 0 HA HIS A 127 12.595 6.160 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.054 8.130 3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.682 7.053 3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.831 6.890 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.440 7.990 7.853 1.00 0.00 H new ATOM 0 HE2 HIS A 127 11.920 7.374 8.018 1.00 0.00 H new ATOM 537 N GLN A 128 11.823 3.774 3.876 1.00 0.00 N ATOM 538 CA GLN A 128 11.308 2.481 4.405 1.00 0.00 C ATOM 539 C GLN A 128 10.419 1.811 3.350 1.00 0.00 C ATOM 540 O GLN A 128 10.892 1.067 2.514 1.00 0.00 O ATOM 541 CB GLN A 128 10.504 2.739 5.683 1.00 0.00 C ATOM 542 CG GLN A 128 11.397 3.418 6.727 1.00 0.00 C ATOM 543 CD GLN A 128 12.755 2.716 6.786 1.00 0.00 C ATOM 544 OE1 GLN A 128 12.808 1.415 6.706 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 13.779 3.359 6.907 1.00 0.00 N flip ATOM 0 H GLN A 128 12.837 3.832 3.782 1.00 0.00 H new ATOM 0 HA GLN A 128 12.144 1.820 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.643 3.370 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 128 10.118 1.799 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.532 4.470 6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.918 3.385 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.738 4.376 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.679 2.881 6.946 1.00 0.00 H new ATOM 554 N GLY A 129 9.137 2.065 3.376 1.00 0.00 N ATOM 555 CA GLY A 129 8.234 1.438 2.369 1.00 0.00 C ATOM 556 C GLY A 129 6.830 2.031 2.501 1.00 0.00 C ATOM 557 O GLY A 129 6.426 2.466 3.562 1.00 0.00 O ATOM 0 H GLY A 129 8.678 2.678 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.619 1.609 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.200 0.359 2.518 1.00 0.00 H new ATOM 561 N MET A 130 6.081 2.050 1.432 1.00 0.00 N ATOM 562 CA MET A 130 4.702 2.614 1.499 1.00 0.00 C ATOM 563 C MET A 130 3.714 1.499 1.846 1.00 0.00 C ATOM 564 O MET A 130 3.580 0.531 1.126 1.00 0.00 O ATOM 565 CB MET A 130 4.330 3.217 0.143 1.00 0.00 C ATOM 566 CG MET A 130 5.435 4.170 -0.314 1.00 0.00 C ATOM 567 SD MET A 130 4.692 5.608 -1.121 1.00 0.00 S ATOM 568 CE MET A 130 5.882 6.837 -0.530 1.00 0.00 C ATOM 0 H MET A 130 6.363 1.700 0.516 1.00 0.00 H new ATOM 0 HA MET A 130 4.663 3.389 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 130 4.191 2.425 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.383 3.751 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.033 4.487 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 130 6.108 3.660 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 130 6.024 7.602 -1.293 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.505 7.300 0.382 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.835 6.350 -0.322 1.00 0.00 H new ATOM 578 N LYS A 131 3.019 1.626 2.944 1.00 0.00 N ATOM 579 CA LYS A 131 2.042 0.568 3.326 1.00 0.00 C ATOM 580 C LYS A 131 0.619 1.066 3.073 1.00 0.00 C ATOM 581 O LYS A 131 0.239 2.138 3.499 1.00 0.00 O ATOM 582 CB LYS A 131 2.204 0.231 4.807 1.00 0.00 C ATOM 583 CG LYS A 131 1.476 -1.079 5.116 1.00 0.00 C ATOM 584 CD LYS A 131 0.645 -0.913 6.389 1.00 0.00 C ATOM 585 CE LYS A 131 1.072 -1.961 7.417 1.00 0.00 C ATOM 586 NZ LYS A 131 0.879 -1.417 8.791 1.00 0.00 N ATOM 0 H LYS A 131 3.085 2.413 3.590 1.00 0.00 H new ATOM 0 HA LYS A 131 2.227 -0.324 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.261 0.139 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.801 1.037 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.831 -1.355 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.197 -1.887 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.781 0.089 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.415 -1.023 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.486 -2.871 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.117 -2.231 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.169 -2.130 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.456 -0.560 8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.124 -1.181 8.933 1.00 0.00 H new ATOM 600 N CYS A 132 -0.172 0.291 2.387 1.00 0.00 N ATOM 601 CA CYS A 132 -1.571 0.716 2.108 1.00 0.00 C ATOM 602 C CYS A 132 -2.400 0.589 3.386 1.00 0.00 C ATOM 603 O CYS A 132 -2.536 -0.483 3.946 1.00 0.00 O ATOM 604 CB CYS A 132 -2.171 -0.172 1.014 1.00 0.00 C ATOM 605 SG CYS A 132 -3.948 0.147 0.881 1.00 0.00 S ATOM 0 H CYS A 132 0.090 -0.619 2.007 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.577 1.752 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.683 0.028 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -1.996 -1.222 1.247 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.300 1.022 1.776 1.00 0.00 H new ATOM 610 N SER A 133 -2.955 1.673 3.853 1.00 0.00 N ATOM 611 CA SER A 133 -3.777 1.620 5.094 1.00 0.00 C ATOM 612 C SER A 133 -5.207 1.206 4.742 1.00 0.00 C ATOM 613 O SER A 133 -6.166 1.793 5.204 1.00 0.00 O ATOM 614 CB SER A 133 -3.791 2.998 5.756 1.00 0.00 C ATOM 615 OG SER A 133 -4.859 3.767 5.216 1.00 0.00 O ATOM 0 H SER A 133 -2.874 2.596 3.427 1.00 0.00 H new ATOM 0 HA SER A 133 -3.349 0.892 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.911 2.895 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.841 3.505 5.588 1.00 0.00 H new ATOM 0 HG SER A 133 -5.714 3.358 5.463 1.00 0.00 H new ATOM 621 N CYS A 134 -5.356 0.200 3.925 1.00 0.00 N ATOM 622 CA CYS A 134 -6.719 -0.257 3.539 1.00 0.00 C ATOM 623 C CYS A 134 -6.690 -1.765 3.280 1.00 0.00 C ATOM 624 O CYS A 134 -7.606 -2.482 3.629 1.00 0.00 O ATOM 625 CB CYS A 134 -7.157 0.471 2.266 1.00 0.00 C ATOM 626 SG CYS A 134 -8.327 1.784 2.694 1.00 0.00 S ATOM 0 H CYS A 134 -4.589 -0.327 3.507 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.422 -0.037 4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.289 0.893 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.620 -0.232 1.573 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.994 2.307 3.837 1.00 0.00 H new ATOM 632 N CYS A 135 -5.643 -2.252 2.670 1.00 0.00 N ATOM 633 CA CYS A 135 -5.555 -3.712 2.391 1.00 0.00 C ATOM 634 C CYS A 135 -4.181 -4.237 2.818 1.00 0.00 C ATOM 635 O CYS A 135 -3.846 -5.381 2.583 1.00 0.00 O ATOM 636 CB CYS A 135 -5.752 -3.957 0.891 1.00 0.00 C ATOM 637 SG CYS A 135 -4.309 -3.350 -0.017 1.00 0.00 S ATOM 0 H CYS A 135 -4.845 -1.701 2.353 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.330 -4.234 2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.893 -5.021 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.652 -3.450 0.544 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.120 -2.094 0.258 1.00 0.00 H new ATOM 642 N GLU A 136 -3.381 -3.411 3.439 1.00 0.00 N ATOM 643 CA GLU A 136 -2.030 -3.868 3.873 1.00 0.00 C ATOM 644 C GLU A 136 -1.217 -4.263 2.639 1.00 0.00 C ATOM 645 O GLU A 136 -1.042 -5.429 2.343 1.00 0.00 O ATOM 646 CB GLU A 136 -2.169 -5.072 4.808 1.00 0.00 C ATOM 647 CG GLU A 136 -2.634 -4.596 6.186 1.00 0.00 C ATOM 648 CD GLU A 136 -1.688 -5.136 7.260 1.00 0.00 C ATOM 649 OE1 GLU A 136 -0.993 -6.099 6.980 1.00 0.00 O ATOM 650 OE2 GLU A 136 -1.674 -4.576 8.344 1.00 0.00 O ATOM 0 H GLU A 136 -3.605 -2.442 3.664 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.522 -3.063 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.884 -5.785 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.215 -5.592 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.654 -3.507 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.651 -4.939 6.377 1.00 0.00 H new ATOM 657 N MET A 137 -0.726 -3.297 1.915 1.00 0.00 N ATOM 658 CA MET A 137 0.068 -3.603 0.693 1.00 0.00 C ATOM 659 C MET A 137 1.331 -2.738 0.671 1.00 0.00 C ATOM 660 O MET A 137 1.264 -1.531 0.557 1.00 0.00 O ATOM 661 CB MET A 137 -0.777 -3.299 -0.544 1.00 0.00 C ATOM 662 CG MET A 137 -0.369 -4.225 -1.691 1.00 0.00 C ATOM 663 SD MET A 137 -0.896 -3.500 -3.263 1.00 0.00 S ATOM 664 CE MET A 137 -1.159 -5.052 -4.153 1.00 0.00 C ATOM 0 H MET A 137 -0.841 -2.304 2.118 1.00 0.00 H new ATOM 0 HA MET A 137 0.351 -4.656 0.696 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.834 -3.433 -0.315 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.644 -2.258 -0.840 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.711 -4.371 -1.689 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.824 -5.207 -1.560 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.391 -5.168 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.103 -5.886 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.142 -5.039 -4.625 1.00 0.00 H new ATOM 674 N ASN A 138 2.482 -3.344 0.776 1.00 0.00 N ATOM 675 CA ASN A 138 3.743 -2.552 0.758 1.00 0.00 C ATOM 676 C ASN A 138 4.234 -2.410 -0.685 1.00 0.00 C ATOM 677 O ASN A 138 4.297 -3.371 -1.425 1.00 0.00 O ATOM 678 CB ASN A 138 4.807 -3.269 1.592 1.00 0.00 C ATOM 679 CG ASN A 138 4.257 -3.550 2.992 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.154 -4.037 3.137 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.985 -3.261 4.036 1.00 0.00 N ATOM 0 H ASN A 138 2.603 -4.352 0.873 1.00 0.00 H new ATOM 0 HA ASN A 138 3.559 -1.563 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.094 -4.203 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.705 -2.655 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.628 -3.444 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.911 -2.852 3.914 1.00 0.00 H new ATOM 688 N VAL A 139 4.583 -1.219 -1.090 1.00 0.00 N ATOM 689 CA VAL A 139 5.067 -1.020 -2.486 1.00 0.00 C ATOM 690 C VAL A 139 6.148 0.064 -2.505 1.00 0.00 C ATOM 691 O VAL A 139 6.457 0.668 -1.496 1.00 0.00 O ATOM 692 CB VAL A 139 3.900 -0.587 -3.375 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.830 -1.681 -3.384 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.297 0.708 -2.828 1.00 0.00 C ATOM 0 H VAL A 139 4.554 -0.377 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 139 5.483 -1.955 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 139 4.260 -0.422 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.999 -1.372 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.258 -2.605 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.470 -1.846 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.465 1.018 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.938 0.542 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 139 4.058 1.489 -2.821 1.00 0.00 H new ATOM 704 N HIS A 140 6.726 0.313 -3.650 1.00 0.00 N ATOM 705 CA HIS A 140 7.789 1.355 -3.742 1.00 0.00 C ATOM 706 C HIS A 140 7.144 2.726 -3.958 1.00 0.00 C ATOM 707 O HIS A 140 5.945 2.886 -3.831 1.00 0.00 O ATOM 708 CB HIS A 140 8.709 1.039 -4.923 1.00 0.00 C ATOM 709 CG HIS A 140 9.643 -0.080 -4.550 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.415 -1.393 -4.933 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.810 -0.097 -3.827 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.424 -2.138 -4.443 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.301 -1.398 -3.761 1.00 0.00 N ATOM 0 H HIS A 140 6.507 -0.161 -4.526 1.00 0.00 H new ATOM 0 HA HIS A 140 8.367 1.365 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.116 0.757 -5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.280 1.925 -5.200 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.627 -1.732 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.276 0.767 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.513 -3.205 -4.585 1.00 0.00 H new ATOM 720 N ARG A 141 7.928 3.716 -4.285 1.00 0.00 N ATOM 721 CA ARG A 141 7.361 5.076 -4.513 1.00 0.00 C ATOM 722 C ARG A 141 7.016 5.237 -5.995 1.00 0.00 C ATOM 723 O ARG A 141 6.214 6.069 -6.370 1.00 0.00 O ATOM 724 CB ARG A 141 8.391 6.134 -4.112 1.00 0.00 C ATOM 725 CG ARG A 141 7.975 6.775 -2.786 1.00 0.00 C ATOM 726 CD ARG A 141 8.242 8.281 -2.841 1.00 0.00 C ATOM 727 NE ARG A 141 8.297 8.826 -1.456 1.00 0.00 N ATOM 728 CZ ARG A 141 9.326 9.532 -1.072 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.745 10.527 -1.804 1.00 0.00 N ATOM 730 NH2 ARG A 141 9.935 9.242 0.045 1.00 0.00 N ATOM 0 H ARG A 141 8.938 3.642 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 141 6.461 5.201 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.377 5.679 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.467 6.895 -4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.918 6.589 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 141 8.531 6.326 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.182 8.476 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 141 7.457 8.780 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 141 7.530 8.648 -0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.269 10.754 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.549 11.078 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 141 9.607 8.464 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 141 10.739 9.793 0.346 1.00 0.00 H new ATOM 744 N ARG A 142 7.614 4.443 -6.840 1.00 0.00 N ATOM 745 CA ARG A 142 7.323 4.547 -8.298 1.00 0.00 C ATOM 746 C ARG A 142 6.448 3.368 -8.730 1.00 0.00 C ATOM 747 O ARG A 142 6.054 3.264 -9.875 1.00 0.00 O ATOM 748 CB ARG A 142 8.635 4.522 -9.083 1.00 0.00 C ATOM 749 CG ARG A 142 9.731 5.216 -8.271 1.00 0.00 C ATOM 750 CD ARG A 142 11.060 5.125 -9.023 1.00 0.00 C ATOM 751 NE ARG A 142 12.159 4.841 -8.058 1.00 0.00 N ATOM 752 CZ ARG A 142 13.379 4.679 -8.488 1.00 0.00 C ATOM 753 NH1 ARG A 142 13.704 3.593 -9.136 1.00 0.00 N ATOM 754 NH2 ARG A 142 14.275 5.603 -8.273 1.00 0.00 N ATOM 0 H ARG A 142 8.292 3.726 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 142 6.798 5.481 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.923 3.493 -9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.506 5.023 -10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.467 6.260 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.823 4.748 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.011 4.338 -9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.257 6.059 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 142 11.957 4.773 -7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.003 2.871 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.659 3.466 -9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.021 6.452 -7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.229 5.476 -8.610 1.00 0.00 H new ATOM 768 N CYS A 143 6.140 2.479 -7.826 1.00 0.00 N ATOM 769 CA CYS A 143 5.290 1.310 -8.189 1.00 0.00 C ATOM 770 C CYS A 143 3.817 1.666 -7.977 1.00 0.00 C ATOM 771 O CYS A 143 2.931 1.019 -8.498 1.00 0.00 O ATOM 772 CB CYS A 143 5.660 0.117 -7.306 1.00 0.00 C ATOM 773 SG CYS A 143 7.264 -0.543 -7.825 1.00 0.00 S ATOM 0 H CYS A 143 6.440 2.512 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 143 5.454 1.051 -9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.702 0.424 -6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.895 -0.656 -7.381 1.00 0.00 H new ATOM 0 HG CYS A 143 7.081 -1.585 -8.581 1.00 0.00 H new ATOM 778 N VAL A 144 3.550 2.691 -7.216 1.00 0.00 N ATOM 779 CA VAL A 144 2.135 3.089 -6.970 1.00 0.00 C ATOM 780 C VAL A 144 1.519 3.607 -8.271 1.00 0.00 C ATOM 781 O VAL A 144 0.356 3.389 -8.548 1.00 0.00 O ATOM 782 CB VAL A 144 2.093 4.192 -5.912 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.643 4.455 -5.505 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.894 3.751 -4.684 1.00 0.00 C ATOM 0 H VAL A 144 4.250 3.271 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 144 1.570 2.226 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 144 2.526 5.104 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.614 5.241 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.071 4.768 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.209 3.543 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.865 4.537 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.460 2.839 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.928 3.563 -4.972 1.00 0.00 H new ATOM 794 N ARG A 145 2.288 4.292 -9.071 1.00 0.00 N ATOM 795 CA ARG A 145 1.745 4.823 -10.354 1.00 0.00 C ATOM 796 C ARG A 145 1.584 3.676 -11.353 1.00 0.00 C ATOM 797 O ARG A 145 1.016 3.840 -12.414 1.00 0.00 O ATOM 798 CB ARG A 145 2.711 5.864 -10.923 1.00 0.00 C ATOM 799 CG ARG A 145 2.242 7.266 -10.531 1.00 0.00 C ATOM 800 CD ARG A 145 3.324 8.287 -10.890 1.00 0.00 C ATOM 801 NE ARG A 145 3.731 8.100 -12.311 1.00 0.00 N ATOM 802 CZ ARG A 145 4.879 8.562 -12.727 1.00 0.00 C ATOM 803 NH1 ARG A 145 5.951 8.393 -12.004 1.00 0.00 N ATOM 804 NH2 ARG A 145 4.952 9.195 -13.866 1.00 0.00 N ATOM 0 H ARG A 145 3.269 4.507 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 145 0.775 5.287 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.717 5.687 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 145 2.759 5.776 -12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.313 7.508 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 145 2.031 7.305 -9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.949 9.299 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.186 8.165 -10.234 1.00 0.00 H new ATOM 0 HE ARG A 145 3.113 7.611 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 145 5.893 7.900 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 145 6.848 8.754 -12.329 1.00 0.00 H new ATOM 0 HH21 ARG A 145 4.113 9.328 -14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 145 5.848 9.556 -14.192 1.00 0.00 H new ATOM 818 N SER A 146 2.081 2.514 -11.024 1.00 0.00 N ATOM 819 CA SER A 146 1.956 1.360 -11.958 1.00 0.00 C ATOM 820 C SER A 146 0.769 0.490 -11.538 1.00 0.00 C ATOM 821 O SER A 146 0.297 -0.338 -12.293 1.00 0.00 O ATOM 822 CB SER A 146 3.238 0.528 -11.912 1.00 0.00 C ATOM 823 OG SER A 146 4.357 1.397 -11.802 1.00 0.00 O ATOM 0 H SER A 146 2.567 2.315 -10.150 1.00 0.00 H new ATOM 0 HA SER A 146 1.796 1.728 -12.972 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.210 -0.157 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.323 -0.081 -12.812 1.00 0.00 H new ATOM 0 HG SER A 146 5.181 0.867 -11.770 1.00 0.00 H new ATOM 829 N VAL A 147 0.283 0.669 -10.340 1.00 0.00 N ATOM 830 CA VAL A 147 -0.873 -0.150 -9.876 1.00 0.00 C ATOM 831 C VAL A 147 -2.179 0.502 -10.344 1.00 0.00 C ATOM 832 O VAL A 147 -2.304 1.711 -10.330 1.00 0.00 O ATOM 833 CB VAL A 147 -0.862 -0.224 -8.348 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.999 -1.129 -7.872 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.476 -0.797 -7.876 1.00 0.00 C ATOM 0 H VAL A 147 0.636 1.346 -9.663 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.798 -1.155 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.997 0.776 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.991 -1.181 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.953 -0.723 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.865 -2.129 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.485 -0.850 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.610 -1.797 -8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.287 -0.153 -8.215 1.00 0.00 H new ATOM 845 N PRO A 148 -3.118 -0.320 -10.748 1.00 0.00 N ATOM 846 CA PRO A 148 -4.431 0.147 -11.230 1.00 0.00 C ATOM 847 C PRO A 148 -5.358 0.475 -10.052 1.00 0.00 C ATOM 848 O PRO A 148 -6.536 0.178 -10.082 1.00 0.00 O ATOM 849 CB PRO A 148 -4.967 -1.052 -12.016 1.00 0.00 C ATOM 850 CG PRO A 148 -4.227 -2.299 -11.475 1.00 0.00 C ATOM 851 CD PRO A 148 -2.955 -1.788 -10.770 1.00 0.00 C ATOM 0 HA PRO A 148 -4.365 1.057 -11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.044 -1.152 -11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.787 -0.927 -13.084 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.859 -2.853 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.972 -2.980 -12.287 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.868 -2.194 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.055 -2.081 -11.311 1.00 0.00 H new ATOM 859 N SER A 149 -4.841 1.084 -9.018 1.00 0.00 N ATOM 860 CA SER A 149 -5.698 1.427 -7.847 1.00 0.00 C ATOM 861 C SER A 149 -6.617 0.247 -7.521 1.00 0.00 C ATOM 862 O SER A 149 -7.821 0.388 -7.450 1.00 0.00 O ATOM 863 CB SER A 149 -6.545 2.656 -8.178 1.00 0.00 C ATOM 864 OG SER A 149 -6.791 2.694 -9.578 1.00 0.00 O ATOM 0 H SER A 149 -3.862 1.359 -8.934 1.00 0.00 H new ATOM 0 HA SER A 149 -5.065 1.642 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.488 2.620 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.029 3.563 -7.863 1.00 0.00 H new ATOM 0 HG SER A 149 -7.213 1.855 -9.859 1.00 0.00 H new ATOM 870 N LEU A 150 -6.058 -0.915 -7.324 1.00 0.00 N ATOM 871 CA LEU A 150 -6.902 -2.101 -7.005 1.00 0.00 C ATOM 872 C LEU A 150 -6.921 -2.326 -5.492 1.00 0.00 C ATOM 873 O LEU A 150 -6.363 -3.281 -4.990 1.00 0.00 O ATOM 874 CB LEU A 150 -6.325 -3.338 -7.696 1.00 0.00 C ATOM 875 CG LEU A 150 -7.420 -4.021 -8.514 1.00 0.00 C ATOM 876 CD1 LEU A 150 -7.947 -3.051 -9.572 1.00 0.00 C ATOM 877 CD2 LEU A 150 -6.845 -5.261 -9.201 1.00 0.00 C ATOM 0 H LEU A 150 -5.055 -1.095 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.918 -1.927 -7.358 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.496 -3.053 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.926 -4.029 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 150 -8.235 -4.316 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -8.728 -3.538 -10.156 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -8.357 -2.167 -9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -7.132 -2.755 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.626 -5.749 -9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.029 -4.966 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.470 -5.953 -8.447 1.00 0.00 H new ATOM 889 N CYS A 151 -7.560 -1.453 -4.761 1.00 0.00 N ATOM 890 CA CYS A 151 -7.614 -1.618 -3.282 1.00 0.00 C ATOM 891 C CYS A 151 -8.996 -2.140 -2.878 1.00 0.00 C ATOM 892 O CYS A 151 -9.730 -1.488 -2.163 1.00 0.00 O ATOM 893 CB CYS A 151 -7.363 -0.268 -2.609 1.00 0.00 C ATOM 894 SG CYS A 151 -6.970 -0.528 -0.861 1.00 0.00 S ATOM 0 H CYS A 151 -8.046 -0.634 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.850 -2.329 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.542 0.250 -3.104 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.244 0.367 -2.704 1.00 0.00 H new ATOM 0 HG CYS A 151 -5.796 -0.034 -0.602 1.00 0.00 H new