USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=22 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= -4.17 K(o=-1.5,f=-9!) USER MOD Set 1.2: A 132 CYS SG : rot 130:sc= 1.45 USER MOD Set 1.3: A 134 CYS SG : rot -115:sc= 0.387 USER MOD Set 1.4: A 135 CYS SG : rot -67:sc= 0.653 USER MOD Set 1.5: A 151 CYS SG : rot 46:sc= 0.226 USER MOD Set 2.1: A 115 CYS SG : rot 118:sc= 0.88 USER MOD Set 2.2: A 118 CYS SG : rot -58:sc= -5.45! USER MOD Set 2.3: A 140 HIS : no HE2:sc= -17.3! C(o=-24!,f=-31!) USER MOD Set 2.4: A 143 CYS SG : rot -103:sc= -2.02! USER MOD Set 3.1: A 107 HIS : no HD1:sc= -27.4! C(o=-30!,f=-30!) USER MOD Set 3.2: A 109 TYR OH : rot 0:sc= -2.88! USER MOD Set 4.1: A 108 SER OG : rot -107:sc= 0.388 USER MOD Set 4.2: A 127 HIS :FLIP no HE2:sc= 0.521 F(o=-0.43,f=0.91) 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 16:sc= 0.337 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HE2:sc= -1.63 F(o=-2.9!,f=-1.6) 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 : amide:sc= -2.49! C(o=-2.5!,f=-7.4!) USER MOD Single : A 130 MET CE :methyl -172:sc= 0 (180deg=-0.00797) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 SER OG : rot 87:sc= 0.012 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -6.126 2.741 -3.453 1.00 0.00 N ATOM 133 CA HIS A 102 -5.280 2.345 -2.292 1.00 0.00 C ATOM 134 C HIS A 102 -5.011 3.566 -1.415 1.00 0.00 C ATOM 135 O HIS A 102 -5.439 4.666 -1.703 1.00 0.00 O ATOM 136 CB HIS A 102 -3.941 1.791 -2.789 1.00 0.00 C ATOM 137 CG HIS A 102 -4.133 0.410 -3.352 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.641 -0.640 -2.599 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.878 -0.110 -4.595 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.675 -1.727 -3.394 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.221 -1.458 -4.620 1.00 0.00 N ATOM 0 HA HIS A 102 -5.804 1.581 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.526 2.449 -3.552 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.223 1.762 -1.969 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.935 -0.596 -1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.472 0.443 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.027 -2.698 -3.078 1.00 0.00 H new ATOM 148 N LYS A 103 -4.292 3.371 -0.351 1.00 0.00 N ATOM 149 CA LYS A 103 -3.963 4.499 0.562 1.00 0.00 C ATOM 150 C LYS A 103 -2.537 4.304 1.075 1.00 0.00 C ATOM 151 O LYS A 103 -2.244 4.520 2.234 1.00 0.00 O ATOM 152 CB LYS A 103 -4.939 4.509 1.741 1.00 0.00 C ATOM 153 CG LYS A 103 -4.934 5.891 2.396 1.00 0.00 C ATOM 154 CD LYS A 103 -6.238 6.620 2.064 1.00 0.00 C ATOM 155 CE LYS A 103 -5.994 8.131 2.070 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.299 8.845 2.161 1.00 0.00 N ATOM 0 H LYS A 103 -3.912 2.467 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.043 5.447 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.943 4.261 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.655 3.749 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.825 5.792 3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.081 6.470 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.605 6.304 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.007 6.362 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.358 8.404 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.467 8.429 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.133 9.872 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.890 8.593 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.785 8.569 3.038 1.00 0.00 H new ATOM 170 N PHE A 104 -1.653 3.884 0.212 1.00 0.00 N ATOM 171 CA PHE A 104 -0.242 3.656 0.627 1.00 0.00 C ATOM 172 C PHE A 104 0.221 4.788 1.546 1.00 0.00 C ATOM 173 O PHE A 104 -0.145 5.935 1.372 1.00 0.00 O ATOM 174 CB PHE A 104 0.653 3.613 -0.614 1.00 0.00 C ATOM 175 CG PHE A 104 0.006 2.755 -1.678 1.00 0.00 C ATOM 176 CD1 PHE A 104 -0.044 1.363 -1.523 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.542 3.351 -2.823 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.639 0.568 -2.510 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.136 2.555 -3.812 1.00 0.00 C ATOM 180 CZ PHE A 104 -1.185 1.163 -3.655 1.00 0.00 C ATOM 0 H PHE A 104 -1.850 3.688 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.176 2.709 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.813 4.622 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.632 3.211 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.377 0.903 -0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.506 4.424 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.677 -0.504 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.556 3.014 -4.695 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.643 0.549 -4.416 1.00 0.00 H new ATOM 190 N ARG A 105 1.026 4.473 2.523 1.00 0.00 N ATOM 191 CA ARG A 105 1.521 5.523 3.456 1.00 0.00 C ATOM 192 C ARG A 105 2.923 5.146 3.937 1.00 0.00 C ATOM 193 O ARG A 105 3.119 4.125 4.566 1.00 0.00 O ATOM 194 CB ARG A 105 0.579 5.626 4.658 1.00 0.00 C ATOM 195 CG ARG A 105 0.763 6.985 5.336 1.00 0.00 C ATOM 196 CD ARG A 105 -0.517 7.809 5.183 1.00 0.00 C ATOM 197 NE ARG A 105 -0.177 9.259 5.192 1.00 0.00 N ATOM 198 CZ ARG A 105 -0.614 10.038 4.241 1.00 0.00 C ATOM 199 NH1 ARG A 105 -0.322 9.775 2.997 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.341 11.082 4.534 1.00 0.00 N ATOM 0 H ARG A 105 1.363 3.530 2.716 1.00 0.00 H new ATOM 0 HA ARG A 105 1.555 6.484 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.455 5.506 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.786 4.824 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.996 6.848 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.605 7.515 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.021 7.548 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.208 7.581 5.995 1.00 0.00 H new ATOM 0 HE ARG A 105 0.398 9.643 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.248 8.961 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.664 10.384 2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.568 11.289 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.682 11.691 3.790 1.00 0.00 H new ATOM 214 N LEU A 106 3.900 5.958 3.644 1.00 0.00 N ATOM 215 CA LEU A 106 5.286 5.640 4.083 1.00 0.00 C ATOM 216 C LEU A 106 5.289 5.329 5.581 1.00 0.00 C ATOM 217 O LEU A 106 4.764 6.075 6.383 1.00 0.00 O ATOM 218 CB LEU A 106 6.195 6.839 3.802 1.00 0.00 C ATOM 219 CG LEU A 106 5.900 7.952 4.806 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.797 9.157 4.516 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.433 8.368 4.690 1.00 0.00 C ATOM 0 H LEU A 106 3.798 6.827 3.120 1.00 0.00 H new ATOM 0 HA LEU A 106 5.653 4.772 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.241 6.540 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.034 7.200 2.786 1.00 0.00 H new ATOM 0 HG LEU A 106 6.097 7.590 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.585 9.950 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.843 8.861 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.604 9.520 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.222 9.162 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.236 8.728 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.794 7.510 4.901 1.00 0.00 H new ATOM 233 N HIS A 107 5.876 4.230 5.961 1.00 0.00 N ATOM 234 CA HIS A 107 5.915 3.864 7.405 1.00 0.00 C ATOM 235 C HIS A 107 7.350 3.987 7.920 1.00 0.00 C ATOM 236 O HIS A 107 8.251 4.346 7.190 1.00 0.00 O ATOM 237 CB HIS A 107 5.434 2.423 7.578 1.00 0.00 C ATOM 238 CG HIS A 107 5.922 1.591 6.424 1.00 0.00 C ATOM 239 ND1 HIS A 107 7.206 1.074 6.377 1.00 0.00 N ATOM 240 CD2 HIS A 107 5.308 1.178 5.268 1.00 0.00 C ATOM 241 CE1 HIS A 107 7.323 0.385 5.227 1.00 0.00 C ATOM 242 NE2 HIS A 107 6.195 0.416 4.513 1.00 0.00 N ATOM 0 H HIS A 107 6.332 3.567 5.333 1.00 0.00 H new ATOM 0 HA HIS A 107 5.266 4.534 7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.805 2.014 8.518 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.345 2.395 7.626 1.00 0.00 H new ATOM 0 HD2 HIS A 107 4.291 1.409 4.987 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.221 -0.131 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.021 -0.024 3.609 1.00 0.00 H new ATOM 250 N SER A 108 7.571 3.695 9.173 1.00 0.00 N ATOM 251 CA SER A 108 8.950 3.800 9.724 1.00 0.00 C ATOM 252 C SER A 108 9.142 2.783 10.852 1.00 0.00 C ATOM 253 O SER A 108 9.253 3.140 12.009 1.00 0.00 O ATOM 254 CB SER A 108 9.173 5.211 10.270 1.00 0.00 C ATOM 255 OG SER A 108 8.463 6.143 9.465 1.00 0.00 O ATOM 0 H SER A 108 6.859 3.389 9.836 1.00 0.00 H new ATOM 0 HA SER A 108 9.668 3.594 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.832 5.272 11.304 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.237 5.449 10.271 1.00 0.00 H new ATOM 0 HG SER A 108 9.096 6.646 8.911 1.00 0.00 H new ATOM 261 N TYR A 109 9.191 1.519 10.529 1.00 0.00 N ATOM 262 CA TYR A 109 9.387 0.489 11.589 1.00 0.00 C ATOM 263 C TYR A 109 10.866 0.450 11.981 1.00 0.00 C ATOM 264 O TYR A 109 11.211 0.373 13.144 1.00 0.00 O ATOM 265 CB TYR A 109 8.973 -0.886 11.059 1.00 0.00 C ATOM 266 CG TYR A 109 7.817 -0.742 10.099 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.625 -0.137 10.520 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.934 -1.220 8.786 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.551 -0.009 9.628 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.860 -1.094 7.896 1.00 0.00 C ATOM 271 CZ TYR A 109 5.669 -0.487 8.317 1.00 0.00 C ATOM 272 OH TYR A 109 4.609 -0.365 7.441 1.00 0.00 O ATOM 0 H TYR A 109 9.104 1.156 9.580 1.00 0.00 H new ATOM 0 HA TYR A 109 8.776 0.741 12.456 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.816 -1.361 10.557 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.689 -1.534 11.888 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.534 0.231 11.531 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.853 -1.686 8.461 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.633 0.458 9.952 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.950 -1.465 6.886 1.00 0.00 H new ATOM 0 HH TYR A 109 3.859 0.074 7.894 1.00 0.00 H new ATOM 282 N SER A 110 11.738 0.499 11.014 1.00 0.00 N ATOM 283 CA SER A 110 13.198 0.462 11.310 1.00 0.00 C ATOM 284 C SER A 110 13.951 0.128 10.022 1.00 0.00 C ATOM 285 O SER A 110 15.091 0.504 9.838 1.00 0.00 O ATOM 286 CB SER A 110 13.479 -0.611 12.362 1.00 0.00 C ATOM 287 OG SER A 110 14.853 -0.974 12.306 1.00 0.00 O ATOM 0 H SER A 110 11.501 0.564 10.024 1.00 0.00 H new ATOM 0 HA SER A 110 13.526 1.429 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.230 -0.237 13.355 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.852 -1.485 12.184 1.00 0.00 H new ATOM 0 HG SER A 110 15.038 -1.661 12.980 1.00 0.00 H new ATOM 293 N SER A 111 13.311 -0.574 9.128 1.00 0.00 N ATOM 294 CA SER A 111 13.968 -0.938 7.842 1.00 0.00 C ATOM 295 C SER A 111 12.897 -1.047 6.753 1.00 0.00 C ATOM 296 O SER A 111 11.726 -1.174 7.053 1.00 0.00 O ATOM 297 CB SER A 111 14.683 -2.281 7.994 1.00 0.00 C ATOM 298 OG SER A 111 15.916 -2.083 8.673 1.00 0.00 O ATOM 0 H SER A 111 12.355 -0.913 9.234 1.00 0.00 H new ATOM 0 HA SER A 111 14.697 -0.175 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.057 -2.979 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.861 -2.724 7.014 1.00 0.00 H new ATOM 0 HG SER A 111 15.911 -1.206 9.110 1.00 0.00 H new ATOM 304 N PRO A 112 13.327 -0.989 5.522 1.00 0.00 N ATOM 305 CA PRO A 112 12.422 -1.075 4.364 1.00 0.00 C ATOM 306 C PRO A 112 11.984 -2.521 4.123 1.00 0.00 C ATOM 307 O PRO A 112 12.780 -3.438 4.156 1.00 0.00 O ATOM 308 CB PRO A 112 13.269 -0.547 3.205 1.00 0.00 C ATOM 309 CG PRO A 112 14.748 -0.718 3.629 1.00 0.00 C ATOM 310 CD PRO A 112 14.754 -0.836 5.166 1.00 0.00 C ATOM 0 HA PRO A 112 11.500 -0.509 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.061 -1.100 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.042 0.500 3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.182 -1.606 3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.345 0.133 3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 112 15.341 -1.692 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 112 15.188 0.048 5.632 1.00 0.00 H new ATOM 318 N THR A 113 10.718 -2.725 3.880 1.00 0.00 N ATOM 319 CA THR A 113 10.214 -4.105 3.634 1.00 0.00 C ATOM 320 C THR A 113 10.304 -4.412 2.143 1.00 0.00 C ATOM 321 O THR A 113 10.715 -3.586 1.354 1.00 0.00 O ATOM 322 CB THR A 113 8.755 -4.200 4.090 1.00 0.00 C ATOM 323 OG1 THR A 113 8.536 -3.294 5.163 1.00 0.00 O ATOM 324 CG2 THR A 113 8.454 -5.625 4.555 1.00 0.00 C ATOM 0 H THR A 113 10.009 -1.993 3.841 1.00 0.00 H new ATOM 0 HA THR A 113 10.815 -4.823 4.192 1.00 0.00 H new ATOM 0 HB THR A 113 8.098 -3.946 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.602 -3.352 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.415 -5.690 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.622 -6.319 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.110 -5.883 5.386 1.00 0.00 H new ATOM 332 N PHE A 114 9.929 -5.593 1.751 1.00 0.00 N ATOM 333 CA PHE A 114 10.004 -5.953 0.308 1.00 0.00 C ATOM 334 C PHE A 114 8.810 -5.350 -0.435 1.00 0.00 C ATOM 335 O PHE A 114 7.891 -4.825 0.164 1.00 0.00 O ATOM 336 CB PHE A 114 9.981 -7.476 0.158 1.00 0.00 C ATOM 337 CG PHE A 114 11.325 -8.042 0.551 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.679 -8.131 1.904 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.218 -8.478 -0.437 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.926 -8.657 2.268 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.465 -9.004 -0.073 1.00 0.00 C ATOM 342 CZ PHE A 114 13.819 -9.092 1.280 1.00 0.00 C ATOM 0 H PHE A 114 9.574 -6.326 2.365 1.00 0.00 H new ATOM 0 HA PHE A 114 10.929 -5.560 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.198 -7.902 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.747 -7.747 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.991 -7.794 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.945 -8.409 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.199 -8.727 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 114 14.153 -9.341 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.781 -9.495 1.561 1.00 0.00 H new ATOM 352 N CYS A 115 8.822 -5.416 -1.737 1.00 0.00 N ATOM 353 CA CYS A 115 7.697 -4.843 -2.529 1.00 0.00 C ATOM 354 C CYS A 115 6.794 -5.973 -3.028 1.00 0.00 C ATOM 355 O CYS A 115 7.248 -7.059 -3.327 1.00 0.00 O ATOM 356 CB CYS A 115 8.273 -4.072 -3.715 1.00 0.00 C ATOM 357 SG CYS A 115 6.939 -3.331 -4.684 1.00 0.00 S ATOM 0 H CYS A 115 9.565 -5.844 -2.289 1.00 0.00 H new ATOM 0 HA CYS A 115 7.107 -4.170 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.949 -3.295 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.860 -4.742 -4.343 1.00 0.00 H new ATOM 0 HG CYS A 115 7.060 -2.037 -4.670 1.00 0.00 H new ATOM 362 N ASP A 116 5.517 -5.724 -3.110 1.00 0.00 N ATOM 363 CA ASP A 116 4.575 -6.784 -3.578 1.00 0.00 C ATOM 364 C ASP A 116 4.317 -6.629 -5.078 1.00 0.00 C ATOM 365 O ASP A 116 3.862 -7.543 -5.737 1.00 0.00 O ATOM 366 CB ASP A 116 3.251 -6.657 -2.822 1.00 0.00 C ATOM 367 CG ASP A 116 2.641 -5.280 -3.088 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.521 -4.922 -4.248 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.305 -4.607 -2.128 1.00 0.00 O ATOM 0 H ASP A 116 5.082 -4.832 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 116 5.016 -7.763 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.562 -7.439 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.416 -6.793 -1.753 1.00 0.00 H new ATOM 374 N HIS A 117 4.597 -5.479 -5.622 1.00 0.00 N ATOM 375 CA HIS A 117 4.360 -5.265 -7.076 1.00 0.00 C ATOM 376 C HIS A 117 5.606 -5.674 -7.866 1.00 0.00 C ATOM 377 O HIS A 117 5.517 -6.096 -9.002 1.00 0.00 O ATOM 378 CB HIS A 117 4.056 -3.787 -7.328 1.00 0.00 C ATOM 379 CG HIS A 117 4.077 -3.514 -8.807 1.00 0.00 C ATOM 380 ND1 HIS A 117 5.099 -3.502 -9.724 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.929 -3.201 -9.518 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.596 -3.186 -10.982 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 3.284 -3.015 -10.802 1.00 0.00 N flip ATOM 0 H HIS A 117 4.980 -4.677 -5.122 1.00 0.00 H new ATOM 0 HA HIS A 117 3.514 -5.872 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.081 -3.530 -6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.792 -3.162 -6.822 1.00 0.00 H new ATOM 0 HD1 HIS A 117 6.078 -3.695 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.931 -3.121 -9.114 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.148 -3.098 -11.906 1.00 0.00 H new ATOM 391 N CYS A 118 6.769 -5.557 -7.280 1.00 0.00 N ATOM 392 CA CYS A 118 8.007 -5.945 -8.017 1.00 0.00 C ATOM 393 C CYS A 118 8.792 -6.988 -7.213 1.00 0.00 C ATOM 394 O CYS A 118 9.656 -7.663 -7.737 1.00 0.00 O ATOM 395 CB CYS A 118 8.875 -4.707 -8.251 1.00 0.00 C ATOM 396 SG CYS A 118 9.305 -3.956 -6.664 1.00 0.00 S ATOM 0 H CYS A 118 6.914 -5.213 -6.331 1.00 0.00 H new ATOM 0 HA CYS A 118 7.730 -6.377 -8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.781 -4.983 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.340 -3.988 -8.872 1.00 0.00 H new ATOM 0 HG CYS A 118 8.218 -3.646 -6.022 1.00 0.00 H new ATOM 401 N GLY A 119 8.497 -7.136 -5.948 1.00 0.00 N ATOM 402 CA GLY A 119 9.226 -8.147 -5.127 1.00 0.00 C ATOM 403 C GLY A 119 10.645 -7.654 -4.824 1.00 0.00 C ATOM 404 O GLY A 119 11.527 -8.431 -4.516 1.00 0.00 O ATOM 0 H GLY A 119 7.785 -6.602 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.688 -8.327 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.269 -9.097 -5.659 1.00 0.00 H new ATOM 408 N SER A 120 10.871 -6.373 -4.906 1.00 0.00 N ATOM 409 CA SER A 120 12.231 -5.836 -4.618 1.00 0.00 C ATOM 410 C SER A 120 12.199 -5.040 -3.311 1.00 0.00 C ATOM 411 O SER A 120 11.209 -4.419 -2.977 1.00 0.00 O ATOM 412 CB SER A 120 12.671 -4.922 -5.763 1.00 0.00 C ATOM 413 OG SER A 120 12.769 -5.683 -6.960 1.00 0.00 O ATOM 0 H SER A 120 10.173 -5.674 -5.160 1.00 0.00 H new ATOM 0 HA SER A 120 12.936 -6.662 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.955 -4.111 -5.892 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.632 -4.464 -5.530 1.00 0.00 H new ATOM 0 HG SER A 120 13.049 -5.100 -7.696 1.00 0.00 H new ATOM 419 N LEU A 121 13.273 -5.052 -2.570 1.00 0.00 N ATOM 420 CA LEU A 121 13.300 -4.296 -1.285 1.00 0.00 C ATOM 421 C LEU A 121 13.149 -2.800 -1.556 1.00 0.00 C ATOM 422 O LEU A 121 13.726 -2.260 -2.479 1.00 0.00 O ATOM 423 CB LEU A 121 14.626 -4.544 -0.564 1.00 0.00 C ATOM 424 CG LEU A 121 14.479 -5.737 0.379 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.862 -6.308 0.698 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.807 -5.275 1.676 1.00 0.00 C ATOM 0 H LEU A 121 14.132 -5.552 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 121 12.475 -4.637 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.416 -4.736 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.918 -3.657 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 121 13.870 -6.506 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.758 -7.159 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.344 -6.632 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.471 -5.541 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.700 -6.123 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.420 -4.508 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.823 -4.865 1.450 1.00 0.00 H new ATOM 438 N LEU A 122 12.381 -2.126 -0.746 1.00 0.00 N ATOM 439 CA LEU A 122 12.190 -0.662 -0.938 1.00 0.00 C ATOM 440 C LEU A 122 13.407 0.078 -0.381 1.00 0.00 C ATOM 441 O LEU A 122 13.503 0.331 0.803 1.00 0.00 O ATOM 442 CB LEU A 122 10.931 -0.209 -0.195 1.00 0.00 C ATOM 443 CG LEU A 122 9.793 -1.198 -0.458 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.850 -1.225 0.747 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.015 -0.759 -1.700 1.00 0.00 C ATOM 0 H LEU A 122 11.876 -2.528 0.044 1.00 0.00 H new ATOM 0 HA LEU A 122 12.080 -0.441 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.131 -0.146 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.642 0.789 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 122 10.207 -2.193 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.040 -1.929 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.402 -1.535 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.436 -0.230 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.204 -1.462 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.602 0.236 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.684 -0.738 -2.560 1.00 0.00 H new ATOM 457 N TYR A 123 14.343 0.420 -1.224 1.00 0.00 N ATOM 458 CA TYR A 123 15.558 1.135 -0.743 1.00 0.00 C ATOM 459 C TYR A 123 15.156 2.240 0.238 1.00 0.00 C ATOM 460 O TYR A 123 13.995 2.564 0.385 1.00 0.00 O ATOM 461 CB TYR A 123 16.288 1.751 -1.938 1.00 0.00 C ATOM 462 CG TYR A 123 16.883 0.649 -2.781 1.00 0.00 C ATOM 463 CD1 TYR A 123 16.109 0.028 -3.769 1.00 0.00 C ATOM 464 CD2 TYR A 123 18.210 0.247 -2.574 1.00 0.00 C ATOM 465 CE1 TYR A 123 16.660 -0.996 -4.551 1.00 0.00 C ATOM 466 CE2 TYR A 123 18.760 -0.777 -3.355 1.00 0.00 C ATOM 467 CZ TYR A 123 17.986 -1.399 -4.343 1.00 0.00 C ATOM 468 OH TYR A 123 18.529 -2.408 -5.113 1.00 0.00 O ATOM 0 H TYR A 123 14.318 0.234 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 123 16.216 0.430 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.596 2.347 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.073 2.424 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 123 15.087 0.338 -3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 123 18.808 0.727 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 123 16.063 -1.474 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.782 -1.087 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 123 19.458 -2.564 -4.841 1.00 0.00 H new ATOM 478 N GLY A 124 16.113 2.817 0.914 1.00 0.00 N ATOM 479 CA GLY A 124 15.794 3.898 1.891 1.00 0.00 C ATOM 480 C GLY A 124 15.274 5.132 1.150 1.00 0.00 C ATOM 481 O GLY A 124 14.833 6.089 1.753 1.00 0.00 O ATOM 0 H GLY A 124 17.103 2.586 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.046 3.548 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.684 4.156 2.465 1.00 0.00 H new ATOM 485 N LEU A 125 15.321 5.119 -0.154 1.00 0.00 N ATOM 486 CA LEU A 125 14.828 6.292 -0.928 1.00 0.00 C ATOM 487 C LEU A 125 13.327 6.467 -0.689 1.00 0.00 C ATOM 488 O LEU A 125 12.777 7.533 -0.888 1.00 0.00 O ATOM 489 CB LEU A 125 15.081 6.060 -2.418 1.00 0.00 C ATOM 490 CG LEU A 125 16.538 6.386 -2.747 1.00 0.00 C ATOM 491 CD1 LEU A 125 16.980 5.580 -3.969 1.00 0.00 C ATOM 492 CD2 LEU A 125 16.666 7.881 -3.050 1.00 0.00 C ATOM 0 H LEU A 125 15.679 4.347 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 125 15.355 7.189 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.862 5.024 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.415 6.685 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 125 17.169 6.129 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 125 18.019 5.813 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 125 16.886 4.515 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.350 5.836 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.704 8.117 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.034 8.135 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.351 8.457 -2.180 1.00 0.00 H new ATOM 504 N VAL A 126 12.659 5.428 -0.266 1.00 0.00 N ATOM 505 CA VAL A 126 11.193 5.537 -0.020 1.00 0.00 C ATOM 506 C VAL A 126 10.917 5.450 1.482 1.00 0.00 C ATOM 507 O VAL A 126 9.836 5.089 1.904 1.00 0.00 O ATOM 508 CB VAL A 126 10.472 4.393 -0.732 1.00 0.00 C ATOM 509 CG1 VAL A 126 10.644 4.543 -2.245 1.00 0.00 C ATOM 510 CG2 VAL A 126 11.067 3.058 -0.280 1.00 0.00 C ATOM 0 H VAL A 126 13.064 4.510 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 126 10.833 6.492 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 126 9.411 4.421 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.130 3.727 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 126 10.221 5.494 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.705 4.515 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.554 2.241 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 126 12.128 3.030 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.944 2.951 0.798 1.00 0.00 H new ATOM 520 N HIS A 127 11.885 5.777 2.291 1.00 0.00 N ATOM 521 CA HIS A 127 11.678 5.713 3.765 1.00 0.00 C ATOM 522 C HIS A 127 10.954 4.411 4.118 1.00 0.00 C ATOM 523 O HIS A 127 9.742 4.350 4.140 1.00 0.00 O ATOM 524 CB HIS A 127 10.833 6.905 4.216 1.00 0.00 C ATOM 525 CG HIS A 127 11.063 7.157 5.681 1.00 0.00 C ATOM 526 ND1 HIS A 127 12.197 7.115 6.452 1.00 0.00 N flip ATOM 527 CD2 HIS A 127 10.033 7.508 6.540 1.00 0.00 C flip ATOM 528 CE1 HIS A 127 11.880 7.431 7.769 1.00 0.00 C flip ATOM 529 NE2 HIS A 127 10.563 7.660 7.768 1.00 0.00 N flip ATOM 0 H HIS A 127 12.811 6.086 1.996 1.00 0.00 H new ATOM 0 HA HIS A 127 12.643 5.743 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 127 11.097 7.791 3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.777 6.707 4.032 1.00 0.00 H new ATOM 0 HD1 HIS A 127 13.131 6.887 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 127 8.994 7.636 6.273 1.00 0.00 H new ATOM 0 HE1 HIS A 127 12.554 7.481 8.612 1.00 0.00 H new ATOM 537 N GLN A 128 11.690 3.369 4.390 1.00 0.00 N ATOM 538 CA GLN A 128 11.046 2.072 4.736 1.00 0.00 C ATOM 539 C GLN A 128 10.237 1.572 3.534 1.00 0.00 C ATOM 540 O GLN A 128 10.772 0.964 2.629 1.00 0.00 O ATOM 541 CB GLN A 128 10.121 2.267 5.941 1.00 0.00 C ATOM 542 CG GLN A 128 10.894 1.988 7.231 1.00 0.00 C ATOM 543 CD GLN A 128 11.885 3.124 7.490 1.00 0.00 C ATOM 544 OE1 GLN A 128 11.581 4.061 8.203 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.068 3.082 6.939 1.00 0.00 N ATOM 0 H GLN A 128 12.710 3.360 4.387 1.00 0.00 H new ATOM 0 HA GLN A 128 11.811 1.337 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.731 3.285 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.264 1.598 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.203 1.897 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 128 11.425 1.039 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.324 2.297 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 128 13.736 3.835 7.107 1.00 0.00 H new ATOM 554 N GLY A 129 8.954 1.823 3.513 1.00 0.00 N ATOM 555 CA GLY A 129 8.126 1.361 2.363 1.00 0.00 C ATOM 556 C GLY A 129 6.742 2.007 2.438 1.00 0.00 C ATOM 557 O GLY A 129 6.383 2.615 3.426 1.00 0.00 O ATOM 0 H GLY A 129 8.446 2.326 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.611 1.624 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.033 0.275 2.381 1.00 0.00 H new ATOM 561 N MET A 130 5.959 1.878 1.401 1.00 0.00 N ATOM 562 CA MET A 130 4.597 2.484 1.419 1.00 0.00 C ATOM 563 C MET A 130 3.575 1.415 1.805 1.00 0.00 C ATOM 564 O MET A 130 3.270 0.528 1.033 1.00 0.00 O ATOM 565 CB MET A 130 4.262 3.035 0.031 1.00 0.00 C ATOM 566 CG MET A 130 5.495 3.725 -0.556 1.00 0.00 C ATOM 567 SD MET A 130 5.004 5.301 -1.298 1.00 0.00 S ATOM 568 CE MET A 130 4.998 6.274 0.228 1.00 0.00 C ATOM 0 H MET A 130 6.203 1.381 0.545 1.00 0.00 H new ATOM 0 HA MET A 130 4.569 3.297 2.145 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.938 2.226 -0.624 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.435 3.741 0.099 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.237 3.893 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.960 3.086 -1.307 1.00 0.00 H new ATOM 0 HE1 MET A 130 4.581 7.261 0.028 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.391 5.769 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.018 6.379 0.597 1.00 0.00 H new ATOM 578 N LYS A 131 3.047 1.486 2.995 1.00 0.00 N ATOM 579 CA LYS A 131 2.049 0.468 3.430 1.00 0.00 C ATOM 580 C LYS A 131 0.633 1.020 3.249 1.00 0.00 C ATOM 581 O LYS A 131 0.299 2.074 3.753 1.00 0.00 O ATOM 582 CB LYS A 131 2.279 0.131 4.904 1.00 0.00 C ATOM 583 CG LYS A 131 1.234 -0.887 5.364 1.00 0.00 C ATOM 584 CD LYS A 131 1.161 -0.890 6.892 1.00 0.00 C ATOM 585 CE LYS A 131 -0.282 -1.136 7.335 1.00 0.00 C ATOM 586 NZ LYS A 131 -0.863 0.129 7.866 1.00 0.00 N ATOM 0 H LYS A 131 3.263 2.205 3.686 1.00 0.00 H new ATOM 0 HA LYS A 131 2.164 -0.431 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.282 -0.273 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.213 1.035 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.260 -0.639 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.494 -1.881 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.813 -1.664 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.516 0.063 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.875 -1.496 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.311 -1.911 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.844 -0.039 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.302 0.454 8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.849 0.856 7.123 1.00 0.00 H new ATOM 600 N CYS A 132 -0.202 0.312 2.541 1.00 0.00 N ATOM 601 CA CYS A 132 -1.596 0.793 2.334 1.00 0.00 C ATOM 602 C CYS A 132 -2.344 0.762 3.667 1.00 0.00 C ATOM 603 O CYS A 132 -2.479 -0.274 4.290 1.00 0.00 O ATOM 604 CB CYS A 132 -2.304 -0.113 1.325 1.00 0.00 C ATOM 605 SG CYS A 132 -4.039 0.382 1.185 1.00 0.00 S ATOM 0 H CYS A 132 0.021 -0.579 2.097 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.579 1.813 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.815 -0.045 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.236 -1.153 1.643 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.350 0.525 -0.069 1.00 0.00 H new ATOM 610 N SER A 133 -2.827 1.889 4.115 1.00 0.00 N ATOM 611 CA SER A 133 -3.561 1.922 5.415 1.00 0.00 C ATOM 612 C SER A 133 -5.029 1.546 5.195 1.00 0.00 C ATOM 613 O SER A 133 -5.923 2.138 5.767 1.00 0.00 O ATOM 614 CB SER A 133 -3.481 3.330 6.007 1.00 0.00 C ATOM 615 OG SER A 133 -2.340 3.996 5.484 1.00 0.00 O ATOM 0 H SER A 133 -2.746 2.787 3.639 1.00 0.00 H new ATOM 0 HA SER A 133 -3.107 1.207 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.385 3.890 5.767 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.419 3.277 7.094 1.00 0.00 H new ATOM 0 HG SER A 133 -2.287 4.899 5.860 1.00 0.00 H new ATOM 621 N CYS A 134 -5.288 0.566 4.373 1.00 0.00 N ATOM 622 CA CYS A 134 -6.699 0.156 4.124 1.00 0.00 C ATOM 623 C CYS A 134 -6.750 -1.337 3.782 1.00 0.00 C ATOM 624 O CYS A 134 -7.667 -2.039 4.159 1.00 0.00 O ATOM 625 CB CYS A 134 -7.265 0.965 2.955 1.00 0.00 C ATOM 626 SG CYS A 134 -8.883 0.300 2.489 1.00 0.00 S ATOM 0 H CYS A 134 -4.584 0.032 3.863 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.292 0.342 5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -7.358 2.014 3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -6.584 0.922 2.105 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.821 -0.189 1.286 1.00 0.00 H new ATOM 632 N CYS A 135 -5.775 -1.824 3.064 1.00 0.00 N ATOM 633 CA CYS A 135 -5.766 -3.266 2.691 1.00 0.00 C ATOM 634 C CYS A 135 -4.427 -3.893 3.092 1.00 0.00 C ATOM 635 O CYS A 135 -4.227 -5.084 2.961 1.00 0.00 O ATOM 636 CB CYS A 135 -5.957 -3.396 1.178 1.00 0.00 C ATOM 637 SG CYS A 135 -4.485 -2.770 0.328 1.00 0.00 S ATOM 0 H CYS A 135 -4.982 -1.283 2.719 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.575 -3.782 3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.129 -4.439 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.838 -2.837 0.862 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.388 -1.487 0.516 1.00 0.00 H new ATOM 642 N GLU A 136 -3.509 -3.101 3.578 1.00 0.00 N ATOM 643 CA GLU A 136 -2.184 -3.655 3.982 1.00 0.00 C ATOM 644 C GLU A 136 -1.412 -4.082 2.733 1.00 0.00 C ATOM 645 O GLU A 136 -1.358 -5.247 2.391 1.00 0.00 O ATOM 646 CB GLU A 136 -2.392 -4.866 4.896 1.00 0.00 C ATOM 647 CG GLU A 136 -3.423 -4.524 5.972 1.00 0.00 C ATOM 648 CD GLU A 136 -4.487 -5.622 6.028 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.930 -6.045 4.974 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.839 -6.022 7.127 1.00 0.00 O ATOM 0 H GLU A 136 -3.619 -2.096 3.713 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.618 -2.893 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.731 -5.722 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.448 -5.151 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.934 -4.427 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.888 -3.563 5.752 1.00 0.00 H new ATOM 657 N MET A 137 -0.814 -3.146 2.048 1.00 0.00 N ATOM 658 CA MET A 137 -0.048 -3.495 0.818 1.00 0.00 C ATOM 659 C MET A 137 1.236 -2.664 0.760 1.00 0.00 C ATOM 660 O MET A 137 1.200 -1.458 0.619 1.00 0.00 O ATOM 661 CB MET A 137 -0.904 -3.197 -0.414 1.00 0.00 C ATOM 662 CG MET A 137 -0.527 -4.158 -1.543 1.00 0.00 C ATOM 663 SD MET A 137 -2.020 -4.972 -2.162 1.00 0.00 S ATOM 664 CE MET A 137 -1.462 -5.199 -3.868 1.00 0.00 C ATOM 0 H MET A 137 -0.823 -2.154 2.287 1.00 0.00 H new ATOM 0 HA MET A 137 0.208 -4.554 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.961 -3.303 -0.170 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.753 -2.166 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.035 -3.614 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.183 -4.902 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.244 -5.694 -4.444 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.245 -4.228 -4.312 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.561 -5.812 -3.878 1.00 0.00 H new ATOM 674 N ASN A 138 2.371 -3.299 0.867 1.00 0.00 N ATOM 675 CA ASN A 138 3.654 -2.541 0.816 1.00 0.00 C ATOM 676 C ASN A 138 4.133 -2.450 -0.635 1.00 0.00 C ATOM 677 O ASN A 138 4.187 -3.434 -1.344 1.00 0.00 O ATOM 678 CB ASN A 138 4.707 -3.267 1.656 1.00 0.00 C ATOM 679 CG ASN A 138 4.080 -3.731 2.972 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.838 -4.906 3.162 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.804 -2.850 3.895 1.00 0.00 N ATOM 0 H ASN A 138 2.466 -4.307 0.987 1.00 0.00 H new ATOM 0 HA ASN A 138 3.501 -1.537 1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.099 -4.123 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.549 -2.604 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.385 -3.148 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.007 -1.863 3.735 1.00 0.00 H new ATOM 688 N VAL A 139 4.482 -1.273 -1.082 1.00 0.00 N ATOM 689 CA VAL A 139 4.955 -1.123 -2.487 1.00 0.00 C ATOM 690 C VAL A 139 6.011 -0.017 -2.561 1.00 0.00 C ATOM 691 O VAL A 139 6.338 0.611 -1.573 1.00 0.00 O ATOM 692 CB VAL A 139 3.773 -0.758 -3.386 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.955 -2.015 -3.690 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.887 0.265 -2.670 1.00 0.00 C ATOM 0 H VAL A 139 4.460 -0.412 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 139 5.393 -2.063 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 139 4.143 -0.332 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.113 -1.755 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.585 -2.745 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.584 -2.442 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.044 0.527 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.517 -0.163 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.469 1.161 -2.452 1.00 0.00 H new ATOM 704 N HIS A 140 6.546 0.224 -3.728 1.00 0.00 N ATOM 705 CA HIS A 140 7.582 1.285 -3.874 1.00 0.00 C ATOM 706 C HIS A 140 6.904 2.635 -4.112 1.00 0.00 C ATOM 707 O HIS A 140 5.695 2.745 -4.109 1.00 0.00 O ATOM 708 CB HIS A 140 8.480 0.961 -5.070 1.00 0.00 C ATOM 709 CG HIS A 140 9.495 -0.074 -4.676 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.410 -1.391 -5.099 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.626 -0.001 -3.902 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.462 -2.051 -4.583 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.236 -1.251 -3.844 1.00 0.00 N ATOM 0 H HIS A 140 6.309 -0.270 -4.588 1.00 0.00 H new ATOM 0 HA HIS A 140 8.180 1.329 -2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.877 0.595 -5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.983 1.865 -5.415 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.682 -1.788 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.988 0.891 -3.412 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.658 -3.101 -4.746 1.00 0.00 H new ATOM 720 N ARG A 141 7.679 3.663 -4.328 1.00 0.00 N ATOM 721 CA ARG A 141 7.086 5.005 -4.578 1.00 0.00 C ATOM 722 C ARG A 141 6.807 5.157 -6.073 1.00 0.00 C ATOM 723 O ARG A 141 6.029 5.991 -6.492 1.00 0.00 O ATOM 724 CB ARG A 141 8.069 6.089 -4.129 1.00 0.00 C ATOM 725 CG ARG A 141 7.387 7.013 -3.119 1.00 0.00 C ATOM 726 CD ARG A 141 8.398 8.037 -2.598 1.00 0.00 C ATOM 727 NE ARG A 141 8.157 9.351 -3.257 1.00 0.00 N ATOM 728 CZ ARG A 141 7.542 10.303 -2.610 1.00 0.00 C ATOM 729 NH1 ARG A 141 7.805 10.511 -1.349 1.00 0.00 N ATOM 730 NH2 ARG A 141 6.663 11.048 -3.224 1.00 0.00 N ATOM 0 H ARG A 141 8.698 3.630 -4.342 1.00 0.00 H new ATOM 0 HA ARG A 141 6.156 5.107 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.951 5.631 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.411 6.664 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.546 7.523 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 141 6.985 6.430 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 141 8.305 8.138 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.414 7.697 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 141 8.473 9.507 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 141 8.492 9.929 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 141 7.324 11.255 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.457 10.886 -4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.183 11.792 -2.718 1.00 0.00 H new ATOM 744 N ARG A 142 7.440 4.351 -6.883 1.00 0.00 N ATOM 745 CA ARG A 142 7.219 4.439 -8.352 1.00 0.00 C ATOM 746 C ARG A 142 6.366 3.253 -8.812 1.00 0.00 C ATOM 747 O ARG A 142 5.976 3.165 -9.959 1.00 0.00 O ATOM 748 CB ARG A 142 8.569 4.409 -9.071 1.00 0.00 C ATOM 749 CG ARG A 142 8.349 4.197 -10.571 1.00 0.00 C ATOM 750 CD ARG A 142 9.688 4.306 -11.303 1.00 0.00 C ATOM 751 NE ARG A 142 10.185 5.708 -11.223 1.00 0.00 N ATOM 752 CZ ARG A 142 11.405 5.947 -10.827 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.346 5.068 -11.045 1.00 0.00 N ATOM 754 NH2 ARG A 142 11.686 7.064 -10.213 1.00 0.00 N ATOM 0 H ARG A 142 8.102 3.634 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 142 6.702 5.369 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.104 5.343 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.189 3.609 -8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 142 7.903 3.218 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 142 7.650 4.940 -10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.414 3.626 -10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 142 9.570 4.010 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 142 9.571 6.482 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.127 4.195 -11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.300 5.255 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 142 10.952 7.751 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.640 7.250 -9.904 1.00 0.00 H new ATOM 768 N CYS A 143 6.073 2.340 -7.927 1.00 0.00 N ATOM 769 CA CYS A 143 5.247 1.162 -8.316 1.00 0.00 C ATOM 770 C CYS A 143 3.767 1.489 -8.103 1.00 0.00 C ATOM 771 O CYS A 143 2.896 0.878 -8.691 1.00 0.00 O ATOM 772 CB CYS A 143 5.632 -0.042 -7.454 1.00 0.00 C ATOM 773 SG CYS A 143 7.250 -0.665 -7.971 1.00 0.00 S ATOM 0 H CYS A 143 6.370 2.359 -6.951 1.00 0.00 H new ATOM 0 HA CYS A 143 5.422 0.926 -9.365 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.660 0.245 -6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.881 -0.826 -7.550 1.00 0.00 H new ATOM 0 HG CYS A 143 7.094 -1.745 -8.678 1.00 0.00 H new ATOM 778 N VAL A 144 3.477 2.449 -7.269 1.00 0.00 N ATOM 779 CA VAL A 144 2.054 2.814 -7.020 1.00 0.00 C ATOM 780 C VAL A 144 1.460 3.441 -8.284 1.00 0.00 C ATOM 781 O VAL A 144 0.309 3.232 -8.609 1.00 0.00 O ATOM 782 CB VAL A 144 1.980 3.819 -5.869 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.528 4.254 -5.662 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.502 3.165 -4.588 1.00 0.00 C ATOM 0 H VAL A 144 4.163 2.996 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 144 1.489 1.919 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 144 2.589 4.690 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.476 4.970 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.154 4.719 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.082 3.383 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.450 3.880 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.892 2.294 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.537 2.855 -4.734 1.00 0.00 H new ATOM 794 N ARG A 145 2.238 4.207 -8.999 1.00 0.00 N ATOM 795 CA ARG A 145 1.718 4.846 -10.240 1.00 0.00 C ATOM 796 C ARG A 145 1.549 3.783 -11.327 1.00 0.00 C ATOM 797 O ARG A 145 0.953 4.025 -12.359 1.00 0.00 O ATOM 798 CB ARG A 145 2.706 5.912 -10.719 1.00 0.00 C ATOM 799 CG ARG A 145 2.030 6.803 -11.762 1.00 0.00 C ATOM 800 CD ARG A 145 1.044 7.745 -11.068 1.00 0.00 C ATOM 801 NE ARG A 145 -0.043 8.113 -12.019 1.00 0.00 N ATOM 802 CZ ARG A 145 -0.304 9.369 -12.258 1.00 0.00 C ATOM 803 NH1 ARG A 145 -0.075 10.269 -11.341 1.00 0.00 N ATOM 804 NH2 ARG A 145 -0.794 9.726 -13.414 1.00 0.00 N ATOM 0 H ARG A 145 3.211 4.418 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 145 0.755 5.312 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.045 6.514 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.589 5.438 -11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.780 7.379 -12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.508 6.189 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 145 0.623 7.263 -10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.561 8.641 -10.725 1.00 0.00 H new ATOM 0 HE ARG A 145 -0.583 7.383 -12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.308 9.991 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.279 11.251 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -0.973 9.023 -14.131 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -0.998 10.708 -13.600 1.00 0.00 H new ATOM 818 N SER A 146 2.067 2.606 -11.105 1.00 0.00 N ATOM 819 CA SER A 146 1.935 1.528 -12.126 1.00 0.00 C ATOM 820 C SER A 146 0.822 0.563 -11.712 1.00 0.00 C ATOM 821 O SER A 146 0.550 -0.411 -12.387 1.00 0.00 O ATOM 822 CB SER A 146 3.257 0.766 -12.235 1.00 0.00 C ATOM 823 OG SER A 146 4.327 1.696 -12.342 1.00 0.00 O ATOM 0 H SER A 146 2.576 2.344 -10.261 1.00 0.00 H new ATOM 0 HA SER A 146 1.689 1.971 -13.091 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.398 0.131 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.241 0.110 -13.105 1.00 0.00 H new ATOM 0 HG SER A 146 4.618 1.964 -11.446 1.00 0.00 H new ATOM 829 N VAL A 147 0.175 0.821 -10.608 1.00 0.00 N ATOM 830 CA VAL A 147 -0.918 -0.084 -10.155 1.00 0.00 C ATOM 831 C VAL A 147 -2.273 0.519 -10.548 1.00 0.00 C ATOM 832 O VAL A 147 -2.457 1.717 -10.472 1.00 0.00 O ATOM 833 CB VAL A 147 -0.852 -0.237 -8.634 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.945 -1.201 -8.167 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.518 -0.791 -8.239 1.00 0.00 C ATOM 0 H VAL A 147 0.357 1.620 -10.000 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.803 -1.061 -10.625 1.00 0.00 H new ATOM 0 HB VAL A 147 -1.003 0.735 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.896 -1.309 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.922 -0.808 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.796 -2.174 -8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.567 -0.901 -7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.667 -1.763 -8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.297 -0.105 -8.570 1.00 0.00 H new ATOM 845 N PRO A 148 -3.183 -0.330 -10.958 1.00 0.00 N ATOM 846 CA PRO A 148 -4.535 0.089 -11.372 1.00 0.00 C ATOM 847 C PRO A 148 -5.441 0.316 -10.152 1.00 0.00 C ATOM 848 O PRO A 148 -6.631 0.080 -10.207 1.00 0.00 O ATOM 849 CB PRO A 148 -5.037 -1.098 -12.198 1.00 0.00 C ATOM 850 CG PRO A 148 -4.216 -2.328 -11.741 1.00 0.00 C ATOM 851 CD PRO A 148 -2.947 -1.786 -11.057 1.00 0.00 C ATOM 0 HA PRO A 148 -4.534 1.029 -11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.103 -1.261 -12.036 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.901 -0.915 -13.264 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.794 -2.944 -11.052 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.957 -2.958 -12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.802 -2.234 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.054 -2.006 -11.642 1.00 0.00 H new ATOM 859 N SER A 149 -4.893 0.771 -9.056 1.00 0.00 N ATOM 860 CA SER A 149 -5.730 1.010 -7.847 1.00 0.00 C ATOM 861 C SER A 149 -6.702 -0.156 -7.655 1.00 0.00 C ATOM 862 O SER A 149 -7.804 -0.150 -8.170 1.00 0.00 O ATOM 863 CB SER A 149 -6.520 2.308 -8.022 1.00 0.00 C ATOM 864 OG SER A 149 -5.844 3.363 -7.351 1.00 0.00 O ATOM 0 H SER A 149 -3.902 0.987 -8.947 1.00 0.00 H new ATOM 0 HA SER A 149 -5.085 1.091 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 149 -6.625 2.543 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.526 2.192 -7.620 1.00 0.00 H new ATOM 0 HG SER A 149 -6.347 4.197 -7.463 1.00 0.00 H new ATOM 870 N LEU A 150 -6.307 -1.157 -6.916 1.00 0.00 N ATOM 871 CA LEU A 150 -7.211 -2.319 -6.692 1.00 0.00 C ATOM 872 C LEU A 150 -7.375 -2.556 -5.188 1.00 0.00 C ATOM 873 O LEU A 150 -7.149 -3.642 -4.693 1.00 0.00 O ATOM 874 CB LEU A 150 -6.610 -3.567 -7.342 1.00 0.00 C ATOM 875 CG LEU A 150 -5.113 -3.631 -7.035 1.00 0.00 C ATOM 876 CD1 LEU A 150 -4.683 -5.093 -6.894 1.00 0.00 C ATOM 877 CD2 LEU A 150 -4.330 -2.979 -8.177 1.00 0.00 C ATOM 0 H LEU A 150 -5.398 -1.220 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.185 -2.112 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.108 -4.461 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.770 -3.542 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.910 -3.100 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.616 -5.139 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.240 -5.559 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -4.886 -5.623 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -3.263 -3.024 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.533 -3.510 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.636 -1.938 -8.280 1.00 0.00 H new ATOM 889 N CYS A 151 -7.763 -1.545 -4.459 1.00 0.00 N ATOM 890 CA CYS A 151 -7.939 -1.712 -2.989 1.00 0.00 C ATOM 891 C CYS A 151 -9.332 -2.279 -2.703 1.00 0.00 C ATOM 892 O CYS A 151 -10.319 -1.570 -2.729 1.00 0.00 O ATOM 893 CB CYS A 151 -7.791 -0.353 -2.301 1.00 0.00 C ATOM 894 SG CYS A 151 -7.255 -0.600 -0.589 1.00 0.00 S ATOM 0 H CYS A 151 -7.965 -0.612 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 151 -7.182 -2.398 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -7.066 0.260 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.740 0.183 -2.323 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.278 -1.457 -0.560 1.00 0.00 H new