USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=20 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= -11.2! C(o=-13!,f=-20!) USER MOD Set 1.2: A 132 CYS SG : rot -5:sc= -1.38! USER MOD Set 1.3: A 135 CYS SG : rot -59:sc= 0.638 USER MOD Set 1.4: A 151 CYS SG : rot 122:sc= -1.16 USER MOD Set 2.1: A 115 CYS SG : rot 112:sc= 1.26 USER MOD Set 2.2: A 118 CYS SG : rot -57:sc= -5.9! USER MOD Set 2.3: A 140 HIS : no HE2:sc= -16.4! C(o=-23!,f=-30!) USER MOD Set 2.4: A 143 CYS SG : rot -101:sc= -1.9! USER MOD Set 3.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 127 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.089) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -20.3! C(o=-20!,f=-22!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc=-0.00017 USER MOD Single : A 111 SER OG : rot 27:sc= 0.0898 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-4.9!) USER MOD Single : A 120 SER OG : rot 70:sc= 0.273 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -5.06! C(o=-5.1!,f=-16!) USER MOD Single : A 130 MET CE :methyl 149:sc= -0.458 (180deg=-1.65!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 23:sc= 0.316 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.3) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot -97:sc= -0.296! USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.557 2.079 -3.491 1.00 0.00 N ATOM 133 CA HIS A 102 -4.936 1.802 -2.165 1.00 0.00 C ATOM 134 C HIS A 102 -4.539 3.122 -1.501 1.00 0.00 C ATOM 135 O HIS A 102 -4.487 4.158 -2.135 1.00 0.00 O ATOM 136 CB HIS A 102 -3.682 0.944 -2.352 1.00 0.00 C ATOM 137 CG HIS A 102 -4.024 -0.293 -3.135 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.498 -1.447 -2.530 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.957 -0.574 -4.477 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.695 -2.360 -3.497 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.381 -1.879 -4.703 1.00 0.00 N ATOM 0 HA HIS A 102 -5.654 1.273 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.914 1.515 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.270 0.669 -1.381 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.667 -1.579 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.625 0.114 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.062 -3.360 -3.320 1.00 0.00 H new ATOM 148 N LYS A 103 -4.249 3.090 -0.229 1.00 0.00 N ATOM 149 CA LYS A 103 -3.843 4.337 0.477 1.00 0.00 C ATOM 150 C LYS A 103 -2.368 4.230 0.870 1.00 0.00 C ATOM 151 O LYS A 103 -1.992 4.508 1.991 1.00 0.00 O ATOM 152 CB LYS A 103 -4.697 4.514 1.734 1.00 0.00 C ATOM 153 CG LYS A 103 -5.814 5.521 1.456 1.00 0.00 C ATOM 154 CD LYS A 103 -5.961 6.463 2.652 1.00 0.00 C ATOM 155 CE LYS A 103 -7.358 6.310 3.255 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.594 7.399 4.245 1.00 0.00 N ATOM 0 H LYS A 103 -4.276 2.252 0.352 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.987 5.196 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.123 3.557 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.078 4.861 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.588 6.092 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.753 4.998 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.203 6.236 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.800 7.494 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.112 6.350 2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.453 5.338 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.544 7.295 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.882 7.341 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.521 8.321 3.770 1.00 0.00 H new ATOM 170 N PHE A 104 -1.533 3.819 -0.046 1.00 0.00 N ATOM 171 CA PHE A 104 -0.081 3.682 0.265 1.00 0.00 C ATOM 172 C PHE A 104 0.386 4.876 1.099 1.00 0.00 C ATOM 173 O PHE A 104 0.120 6.016 0.772 1.00 0.00 O ATOM 174 CB PHE A 104 0.717 3.632 -1.042 1.00 0.00 C ATOM 175 CG PHE A 104 0.162 2.546 -1.934 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.214 1.207 -1.523 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.401 2.876 -3.174 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.298 0.200 -2.351 1.00 0.00 C ATOM 179 CE2 PHE A 104 -0.913 1.869 -4.002 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.861 0.530 -3.590 1.00 0.00 C ATOM 0 H PHE A 104 -1.795 3.571 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 104 0.080 2.764 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.664 4.595 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.769 3.440 -0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.649 0.952 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.440 3.908 -3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.259 -0.832 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.348 2.124 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.255 -0.247 -4.228 1.00 0.00 H new ATOM 190 N ARG A 105 1.082 4.624 2.175 1.00 0.00 N ATOM 191 CA ARG A 105 1.567 5.747 3.027 1.00 0.00 C ATOM 192 C ARG A 105 2.933 5.389 3.617 1.00 0.00 C ATOM 193 O ARG A 105 3.081 4.403 4.312 1.00 0.00 O ATOM 194 CB ARG A 105 0.569 5.992 4.161 1.00 0.00 C ATOM 195 CG ARG A 105 -0.321 7.184 3.805 1.00 0.00 C ATOM 196 CD ARG A 105 -1.147 7.586 5.028 1.00 0.00 C ATOM 197 NE ARG A 105 -0.947 9.035 5.306 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.226 9.519 6.485 1.00 0.00 C ATOM 199 NH1 ARG A 105 -0.933 8.834 7.557 1.00 0.00 N ATOM 200 NH2 ARG A 105 -1.799 10.686 6.593 1.00 0.00 N ATOM 0 H ARG A 105 1.335 3.691 2.500 1.00 0.00 H new ATOM 0 HA ARG A 105 1.660 6.649 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.041 5.103 4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.101 6.186 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 105 0.291 8.023 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.980 6.925 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.203 7.381 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.848 6.994 5.893 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.591 9.650 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -0.486 7.921 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.151 9.212 8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.029 11.221 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.017 11.064 7.515 1.00 0.00 H new ATOM 214 N LEU A 106 3.933 6.182 3.346 1.00 0.00 N ATOM 215 CA LEU A 106 5.288 5.887 3.891 1.00 0.00 C ATOM 216 C LEU A 106 5.192 5.666 5.401 1.00 0.00 C ATOM 217 O LEU A 106 4.492 6.374 6.098 1.00 0.00 O ATOM 218 CB LEU A 106 6.221 7.067 3.604 1.00 0.00 C ATOM 219 CG LEU A 106 5.863 8.237 4.520 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.808 9.410 4.249 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.421 8.670 4.253 1.00 0.00 C ATOM 0 H LEU A 106 3.870 7.022 2.770 1.00 0.00 H new ATOM 0 HA LEU A 106 5.684 4.989 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.258 6.771 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.132 7.369 2.560 1.00 0.00 H new ATOM 0 HG LEU A 106 5.963 7.926 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.551 10.243 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.836 9.101 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.712 9.722 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.165 9.504 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.321 8.979 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.748 7.835 4.450 1.00 0.00 H new ATOM 233 N HIS A 107 5.886 4.689 5.912 1.00 0.00 N ATOM 234 CA HIS A 107 5.830 4.422 7.378 1.00 0.00 C ATOM 235 C HIS A 107 7.246 4.272 7.933 1.00 0.00 C ATOM 236 O HIS A 107 8.223 4.406 7.222 1.00 0.00 O ATOM 237 CB HIS A 107 5.050 3.132 7.627 1.00 0.00 C ATOM 238 CG HIS A 107 5.407 2.126 6.569 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.472 1.634 5.675 1.00 0.00 N ATOM 240 CD2 HIS A 107 6.592 1.510 6.252 1.00 0.00 C ATOM 241 CE1 HIS A 107 5.102 0.760 4.869 1.00 0.00 C ATOM 242 NE2 HIS A 107 6.396 0.647 5.177 1.00 0.00 N ATOM 0 H HIS A 107 6.490 4.063 5.379 1.00 0.00 H new ATOM 0 HA HIS A 107 5.335 5.255 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.284 2.737 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.979 3.332 7.609 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.532 1.670 6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.620 0.216 4.070 1.00 0.00 H new ATOM 0 HE2 HIS A 107 7.092 0.056 4.722 1.00 0.00 H new ATOM 250 N SER A 108 7.364 3.995 9.204 1.00 0.00 N ATOM 251 CA SER A 108 8.715 3.836 9.813 1.00 0.00 C ATOM 252 C SER A 108 8.869 2.415 10.361 1.00 0.00 C ATOM 253 O SER A 108 7.901 1.751 10.673 1.00 0.00 O ATOM 254 CB SER A 108 8.882 4.842 10.951 1.00 0.00 C ATOM 255 OG SER A 108 8.237 6.059 10.601 1.00 0.00 O ATOM 0 H SER A 108 6.582 3.872 9.847 1.00 0.00 H new ATOM 0 HA SER A 108 9.477 4.015 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.455 4.442 11.871 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.940 5.020 11.142 1.00 0.00 H new ATOM 0 HG SER A 108 8.341 6.706 11.330 1.00 0.00 H new ATOM 261 N TYR A 109 10.083 1.948 10.479 1.00 0.00 N ATOM 262 CA TYR A 109 10.320 0.572 11.007 1.00 0.00 C ATOM 263 C TYR A 109 11.775 0.463 11.461 1.00 0.00 C ATOM 264 O TYR A 109 12.086 0.509 12.635 1.00 0.00 O ATOM 265 CB TYR A 109 10.086 -0.458 9.896 1.00 0.00 C ATOM 266 CG TYR A 109 8.610 -0.608 9.617 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.707 -0.798 10.671 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.145 -0.569 8.295 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.339 -0.944 10.402 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.779 -0.717 8.026 1.00 0.00 C ATOM 271 CZ TYR A 109 5.875 -0.904 9.080 1.00 0.00 C ATOM 272 OH TYR A 109 4.529 -1.050 8.817 1.00 0.00 O ATOM 0 H TYR A 109 10.927 2.464 10.231 1.00 0.00 H new ATOM 0 HA TYR A 109 9.639 0.382 11.837 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.604 -0.147 8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.506 -1.420 10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.064 -0.832 11.690 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.842 -0.425 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.642 -1.087 11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.422 -0.687 7.007 1.00 0.00 H new ATOM 0 HH TYR A 109 4.377 -0.997 7.850 1.00 0.00 H new ATOM 282 N SER A 110 12.665 0.317 10.520 1.00 0.00 N ATOM 283 CA SER A 110 14.113 0.198 10.843 1.00 0.00 C ATOM 284 C SER A 110 14.863 -0.111 9.546 1.00 0.00 C ATOM 285 O SER A 110 15.987 0.305 9.342 1.00 0.00 O ATOM 286 CB SER A 110 14.329 -0.934 11.849 1.00 0.00 C ATOM 287 OG SER A 110 14.744 -2.106 11.161 1.00 0.00 O ATOM 0 H SER A 110 12.446 0.274 9.525 1.00 0.00 H new ATOM 0 HA SER A 110 14.480 1.126 11.281 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.081 -0.644 12.583 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.407 -1.128 12.397 1.00 0.00 H new ATOM 0 HG SER A 110 14.884 -2.831 11.805 1.00 0.00 H new ATOM 293 N SER A 111 14.228 -0.829 8.660 1.00 0.00 N ATOM 294 CA SER A 111 14.861 -1.169 7.356 1.00 0.00 C ATOM 295 C SER A 111 13.764 -1.226 6.291 1.00 0.00 C ATOM 296 O SER A 111 12.597 -1.317 6.616 1.00 0.00 O ATOM 297 CB SER A 111 15.551 -2.531 7.455 1.00 0.00 C ATOM 298 OG SER A 111 16.875 -2.352 7.942 1.00 0.00 O ATOM 0 H SER A 111 13.286 -1.199 8.787 1.00 0.00 H new ATOM 0 HA SER A 111 15.605 -0.417 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.992 -3.187 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.573 -3.013 6.477 1.00 0.00 H new ATOM 0 HG SER A 111 16.914 -1.543 8.493 1.00 0.00 H new ATOM 304 N PRO A 112 14.164 -1.171 5.049 1.00 0.00 N ATOM 305 CA PRO A 112 13.221 -1.214 3.920 1.00 0.00 C ATOM 306 C PRO A 112 12.651 -2.623 3.745 1.00 0.00 C ATOM 307 O PRO A 112 13.367 -3.604 3.750 1.00 0.00 O ATOM 308 CB PRO A 112 14.071 -0.785 2.721 1.00 0.00 C ATOM 309 CG PRO A 112 15.543 -1.048 3.113 1.00 0.00 C ATOM 310 CD PRO A 112 15.585 -1.075 4.654 1.00 0.00 C ATOM 0 HA PRO A 112 12.353 -0.569 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.799 -1.351 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.913 0.268 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.892 -1.994 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.195 -0.268 2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.160 -1.924 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 112 16.051 -0.176 5.056 1.00 0.00 H new ATOM 318 N THR A 113 11.356 -2.723 3.598 1.00 0.00 N ATOM 319 CA THR A 113 10.716 -4.058 3.430 1.00 0.00 C ATOM 320 C THR A 113 10.683 -4.410 1.946 1.00 0.00 C ATOM 321 O THR A 113 11.058 -3.620 1.105 1.00 0.00 O ATOM 322 CB THR A 113 9.286 -4.003 3.974 1.00 0.00 C ATOM 323 OG1 THR A 113 9.218 -3.048 5.025 1.00 0.00 O ATOM 324 CG2 THR A 113 8.883 -5.378 4.509 1.00 0.00 C ATOM 0 H THR A 113 10.712 -1.932 3.587 1.00 0.00 H new ATOM 0 HA THR A 113 11.283 -4.814 3.974 1.00 0.00 H new ATOM 0 HB THR A 113 8.606 -3.715 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.303 -3.010 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.865 -5.334 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.935 -6.111 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.562 -5.670 5.310 1.00 0.00 H new ATOM 332 N PHE A 114 10.245 -5.588 1.615 1.00 0.00 N ATOM 333 CA PHE A 114 10.205 -5.982 0.180 1.00 0.00 C ATOM 334 C PHE A 114 8.981 -5.361 -0.493 1.00 0.00 C ATOM 335 O PHE A 114 8.117 -4.803 0.154 1.00 0.00 O ATOM 336 CB PHE A 114 10.127 -7.506 0.067 1.00 0.00 C ATOM 337 CG PHE A 114 11.520 -8.085 0.085 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.190 -8.258 1.304 1.00 0.00 C ATOM 339 CD2 PHE A 114 12.144 -8.447 -1.116 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.483 -8.796 1.321 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.437 -8.985 -1.098 1.00 0.00 C ATOM 342 CZ PHE A 114 14.107 -9.159 0.120 1.00 0.00 C ATOM 0 H PHE A 114 9.914 -6.295 2.272 1.00 0.00 H new ATOM 0 HA PHE A 114 11.109 -5.626 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.542 -7.913 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.617 -7.787 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 114 11.710 -7.977 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.628 -8.311 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 114 13.999 -8.931 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.918 -9.266 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 114 15.104 -9.573 0.133 1.00 0.00 H new ATOM 352 N CYS A 115 8.911 -5.446 -1.793 1.00 0.00 N ATOM 353 CA CYS A 115 7.754 -4.855 -2.521 1.00 0.00 C ATOM 354 C CYS A 115 6.882 -5.976 -3.094 1.00 0.00 C ATOM 355 O CYS A 115 7.373 -6.999 -3.528 1.00 0.00 O ATOM 356 CB CYS A 115 8.287 -3.973 -3.650 1.00 0.00 C ATOM 357 SG CYS A 115 6.916 -3.286 -4.606 1.00 0.00 S ATOM 0 H CYS A 115 9.607 -5.901 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 115 7.149 -4.254 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.892 -3.166 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.937 -4.557 -4.301 1.00 0.00 H new ATOM 0 HG CYS A 115 6.855 -2.001 -4.416 1.00 0.00 H new ATOM 362 N ASP A 116 5.590 -5.794 -3.086 1.00 0.00 N ATOM 363 CA ASP A 116 4.679 -6.855 -3.613 1.00 0.00 C ATOM 364 C ASP A 116 4.353 -6.589 -5.085 1.00 0.00 C ATOM 365 O ASP A 116 3.898 -7.464 -5.797 1.00 0.00 O ATOM 366 CB ASP A 116 3.382 -6.866 -2.798 1.00 0.00 C ATOM 367 CG ASP A 116 2.526 -5.653 -3.173 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.122 -5.569 -4.322 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.286 -4.831 -2.304 1.00 0.00 O ATOM 0 H ASP A 116 5.123 -4.957 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 116 5.175 -7.822 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.829 -7.786 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.611 -6.846 -1.732 1.00 0.00 H new ATOM 374 N HIS A 117 4.574 -5.393 -5.548 1.00 0.00 N ATOM 375 CA HIS A 117 4.271 -5.075 -6.971 1.00 0.00 C ATOM 376 C HIS A 117 5.492 -5.387 -7.839 1.00 0.00 C ATOM 377 O HIS A 117 5.371 -5.673 -9.013 1.00 0.00 O ATOM 378 CB HIS A 117 3.919 -3.591 -7.097 1.00 0.00 C ATOM 379 CG HIS A 117 3.888 -3.201 -8.550 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.703 -2.947 -9.222 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.889 -3.018 -9.470 1.00 0.00 C ATOM 382 CE1 HIS A 117 3.018 -2.629 -10.491 1.00 0.00 C ATOM 383 NE2 HIS A 117 4.338 -2.656 -10.696 1.00 0.00 N ATOM 0 H HIS A 117 4.952 -4.619 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 117 3.428 -5.679 -7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.950 -3.396 -6.637 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.652 -2.986 -6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.944 -3.137 -9.273 1.00 0.00 H new ATOM 0 HE1 HIS A 117 2.292 -2.382 -11.251 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.835 -2.455 -11.564 1.00 0.00 H new ATOM 391 N CYS A 118 6.670 -5.343 -7.275 1.00 0.00 N ATOM 392 CA CYS A 118 7.887 -5.647 -8.081 1.00 0.00 C ATOM 393 C CYS A 118 8.720 -6.721 -7.374 1.00 0.00 C ATOM 394 O CYS A 118 9.753 -7.136 -7.861 1.00 0.00 O ATOM 395 CB CYS A 118 8.722 -4.376 -8.256 1.00 0.00 C ATOM 396 SG CYS A 118 9.227 -3.752 -6.635 1.00 0.00 S ATOM 0 H CYS A 118 6.841 -5.111 -6.297 1.00 0.00 H new ATOM 0 HA CYS A 118 7.585 -6.015 -9.062 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.601 -4.587 -8.865 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.143 -3.618 -8.784 1.00 0.00 H new ATOM 0 HG CYS A 118 8.173 -3.539 -5.904 1.00 0.00 H new ATOM 401 N GLY A 119 8.280 -7.178 -6.232 1.00 0.00 N ATOM 402 CA GLY A 119 9.048 -8.228 -5.504 1.00 0.00 C ATOM 403 C GLY A 119 10.510 -7.799 -5.376 1.00 0.00 C ATOM 404 O GLY A 119 11.415 -8.528 -5.734 1.00 0.00 O ATOM 0 H GLY A 119 7.423 -6.870 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.618 -8.388 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.982 -9.176 -6.037 1.00 0.00 H new ATOM 408 N SER A 120 10.750 -6.624 -4.867 1.00 0.00 N ATOM 409 CA SER A 120 12.153 -6.150 -4.714 1.00 0.00 C ATOM 410 C SER A 120 12.277 -5.331 -3.428 1.00 0.00 C ATOM 411 O SER A 120 11.380 -4.597 -3.062 1.00 0.00 O ATOM 412 CB SER A 120 12.529 -5.278 -5.913 1.00 0.00 C ATOM 413 OG SER A 120 12.546 -6.077 -7.088 1.00 0.00 O ATOM 0 H SER A 120 10.034 -5.970 -4.550 1.00 0.00 H new ATOM 0 HA SER A 120 12.824 -7.008 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.813 -4.464 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.507 -4.824 -5.754 1.00 0.00 H new ATOM 0 HG SER A 120 11.630 -6.334 -7.322 1.00 0.00 H new ATOM 419 N LEU A 121 13.379 -5.450 -2.738 1.00 0.00 N ATOM 420 CA LEU A 121 13.553 -4.674 -1.478 1.00 0.00 C ATOM 421 C LEU A 121 13.516 -3.178 -1.780 1.00 0.00 C ATOM 422 O LEU A 121 14.019 -2.721 -2.787 1.00 0.00 O ATOM 423 CB LEU A 121 14.893 -5.030 -0.829 1.00 0.00 C ATOM 424 CG LEU A 121 14.693 -6.185 0.152 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.008 -6.946 0.322 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.248 -5.626 1.506 1.00 0.00 C ATOM 0 H LEU A 121 14.164 -6.050 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 121 12.742 -4.924 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.617 -5.310 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.299 -4.163 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 121 13.931 -6.863 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.864 -7.769 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.327 -7.341 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.772 -6.271 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.104 -6.447 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 121 15.012 -4.950 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.311 -5.083 1.385 1.00 0.00 H new ATOM 438 N LEU A 122 12.925 -2.413 -0.906 1.00 0.00 N ATOM 439 CA LEU A 122 12.850 -0.942 -1.123 1.00 0.00 C ATOM 440 C LEU A 122 14.203 -0.311 -0.784 1.00 0.00 C ATOM 441 O LEU A 122 14.382 0.263 0.273 1.00 0.00 O ATOM 442 CB LEU A 122 11.771 -0.347 -0.213 1.00 0.00 C ATOM 443 CG LEU A 122 10.513 -1.218 -0.260 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.787 -1.138 1.083 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.584 -0.711 -1.364 1.00 0.00 C ATOM 0 H LEU A 122 12.488 -2.745 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 122 12.601 -0.739 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.141 -0.282 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.533 0.668 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 122 10.795 -2.251 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.891 -1.758 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.446 -1.495 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.505 -0.104 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.688 -1.331 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.303 0.322 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.098 -0.762 -2.324 1.00 0.00 H new ATOM 457 N TYR A 123 15.157 -0.414 -1.668 1.00 0.00 N ATOM 458 CA TYR A 123 16.497 0.177 -1.391 1.00 0.00 C ATOM 459 C TYR A 123 16.328 1.601 -0.857 1.00 0.00 C ATOM 460 O TYR A 123 15.237 2.135 -0.825 1.00 0.00 O ATOM 461 CB TYR A 123 17.315 0.212 -2.683 1.00 0.00 C ATOM 462 CG TYR A 123 17.399 -1.180 -3.261 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.378 -2.294 -2.412 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.498 -1.356 -4.648 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.457 -3.586 -2.951 1.00 0.00 C ATOM 466 CE2 TYR A 123 17.577 -2.648 -5.186 1.00 0.00 C ATOM 467 CZ TYR A 123 17.556 -3.763 -4.337 1.00 0.00 C ATOM 468 OH TYR A 123 17.634 -5.036 -4.866 1.00 0.00 O ATOM 0 H TYR A 123 15.067 -0.882 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 123 17.014 -0.430 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.852 0.889 -3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.315 0.596 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.301 -2.158 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.513 -0.497 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.442 -4.445 -2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.654 -2.784 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 123 17.697 -4.981 -5.842 1.00 0.00 H new ATOM 478 N GLY A 124 17.399 2.220 -0.438 1.00 0.00 N ATOM 479 CA GLY A 124 17.301 3.609 0.093 1.00 0.00 C ATOM 480 C GLY A 124 16.515 4.477 -0.892 1.00 0.00 C ATOM 481 O GLY A 124 17.073 5.070 -1.794 1.00 0.00 O ATOM 0 H GLY A 124 18.338 1.823 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.807 3.604 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.298 4.023 0.244 1.00 0.00 H new ATOM 485 N LEU A 125 15.223 4.552 -0.729 1.00 0.00 N ATOM 486 CA LEU A 125 14.400 5.377 -1.656 1.00 0.00 C ATOM 487 C LEU A 125 13.126 5.836 -0.942 1.00 0.00 C ATOM 488 O LEU A 125 12.670 6.948 -1.121 1.00 0.00 O ATOM 489 CB LEU A 125 14.022 4.539 -2.881 1.00 0.00 C ATOM 490 CG LEU A 125 15.210 4.477 -3.841 1.00 0.00 C ATOM 491 CD1 LEU A 125 14.854 3.596 -5.041 1.00 0.00 C ATOM 492 CD2 LEU A 125 15.543 5.889 -4.328 1.00 0.00 C ATOM 0 H LEU A 125 14.701 4.077 0.007 1.00 0.00 H new ATOM 0 HA LEU A 125 14.973 6.249 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.737 3.533 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.158 4.976 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 125 16.072 4.055 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.702 3.553 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.614 2.590 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.992 4.017 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.390 5.847 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.680 6.309 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.797 6.518 -3.475 1.00 0.00 H new ATOM 504 N VAL A 126 12.549 4.990 -0.133 1.00 0.00 N ATOM 505 CA VAL A 126 11.306 5.378 0.591 1.00 0.00 C ATOM 506 C VAL A 126 11.465 5.052 2.076 1.00 0.00 C ATOM 507 O VAL A 126 11.869 3.966 2.438 1.00 0.00 O ATOM 508 CB VAL A 126 10.120 4.597 0.024 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.866 5.029 -1.421 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.435 3.099 0.059 1.00 0.00 C ATOM 0 H VAL A 126 12.885 4.046 0.058 1.00 0.00 H new ATOM 0 HA VAL A 126 11.129 6.446 0.467 1.00 0.00 H new ATOM 0 HB VAL A 126 9.233 4.799 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 126 9.020 4.472 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.644 6.096 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.753 4.828 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.591 2.540 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.323 2.900 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.616 2.789 1.088 1.00 0.00 H new ATOM 520 N HIS A 127 11.148 5.982 2.938 1.00 0.00 N ATOM 521 CA HIS A 127 11.279 5.713 4.397 1.00 0.00 C ATOM 522 C HIS A 127 10.722 4.322 4.694 1.00 0.00 C ATOM 523 O HIS A 127 9.530 4.140 4.842 1.00 0.00 O ATOM 524 CB HIS A 127 10.492 6.760 5.187 1.00 0.00 C ATOM 525 CG HIS A 127 11.076 6.889 6.567 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.282 7.007 7.697 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.374 6.921 7.014 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.103 7.103 8.760 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.388 7.057 8.399 1.00 0.00 N ATOM 0 H HIS A 127 10.806 6.912 2.695 1.00 0.00 H new ATOM 0 HA HIS A 127 12.328 5.762 4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.528 7.721 4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.443 6.471 5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.250 6.851 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.764 7.205 9.780 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.205 7.110 9.008 1.00 0.00 H new ATOM 537 N GLN A 128 11.574 3.336 4.767 1.00 0.00 N ATOM 538 CA GLN A 128 11.093 1.954 5.039 1.00 0.00 C ATOM 539 C GLN A 128 10.280 1.462 3.833 1.00 0.00 C ATOM 540 O GLN A 128 10.838 1.058 2.831 1.00 0.00 O ATOM 541 CB GLN A 128 10.234 1.956 6.308 1.00 0.00 C ATOM 542 CG GLN A 128 11.026 2.591 7.453 1.00 0.00 C ATOM 543 CD GLN A 128 12.436 1.998 7.499 1.00 0.00 C ATOM 544 OE1 GLN A 128 12.600 0.797 7.563 1.00 0.00 O ATOM 545 NE2 GLN A 128 13.469 2.795 7.469 1.00 0.00 N ATOM 0 H GLN A 128 12.583 3.429 4.650 1.00 0.00 H new ATOM 0 HA GLN A 128 11.938 1.283 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 128 9.312 2.512 6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.948 0.937 6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 128 11.080 3.671 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.517 2.416 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 128 13.333 3.804 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 128 14.412 2.408 7.499 1.00 0.00 H new ATOM 554 N GLY A 129 8.975 1.496 3.903 1.00 0.00 N ATOM 555 CA GLY A 129 8.162 1.034 2.743 1.00 0.00 C ATOM 556 C GLY A 129 6.821 1.771 2.732 1.00 0.00 C ATOM 557 O GLY A 129 6.505 2.520 3.636 1.00 0.00 O ATOM 0 H GLY A 129 8.441 1.822 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.699 1.220 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.997 -0.042 2.807 1.00 0.00 H new ATOM 561 N MET A 130 6.026 1.565 1.715 1.00 0.00 N ATOM 562 CA MET A 130 4.704 2.250 1.654 1.00 0.00 C ATOM 563 C MET A 130 3.609 1.247 2.020 1.00 0.00 C ATOM 564 O MET A 130 3.358 0.300 1.301 1.00 0.00 O ATOM 565 CB MET A 130 4.458 2.779 0.237 1.00 0.00 C ATOM 566 CG MET A 130 5.790 3.171 -0.408 1.00 0.00 C ATOM 567 SD MET A 130 5.643 4.822 -1.134 1.00 0.00 S ATOM 568 CE MET A 130 5.300 5.712 0.402 1.00 0.00 C ATOM 0 H MET A 130 6.235 0.953 0.926 1.00 0.00 H new ATOM 0 HA MET A 130 4.692 3.086 2.353 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.962 2.017 -0.365 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.792 3.641 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.585 3.159 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 130 6.062 2.447 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.698 6.724 0.333 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.223 5.756 0.564 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.772 5.193 1.236 1.00 0.00 H new ATOM 578 N LYS A 131 2.959 1.437 3.136 1.00 0.00 N ATOM 579 CA LYS A 131 1.894 0.478 3.542 1.00 0.00 C ATOM 580 C LYS A 131 0.524 0.993 3.098 1.00 0.00 C ATOM 581 O LYS A 131 0.184 2.141 3.301 1.00 0.00 O ATOM 582 CB LYS A 131 1.902 0.313 5.062 1.00 0.00 C ATOM 583 CG LYS A 131 1.002 -0.863 5.452 1.00 0.00 C ATOM 584 CD LYS A 131 0.480 -0.657 6.875 1.00 0.00 C ATOM 585 CE LYS A 131 1.121 -1.684 7.810 1.00 0.00 C ATOM 586 NZ LYS A 131 0.682 -1.424 9.210 1.00 0.00 N ATOM 0 H LYS A 131 3.119 2.211 3.781 1.00 0.00 H new ATOM 0 HA LYS A 131 2.087 -0.484 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.919 0.139 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.551 1.228 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.168 -0.943 4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.560 -1.798 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.710 0.353 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.605 -0.760 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.836 -2.692 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.207 -1.626 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.118 -2.122 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.975 -0.467 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.353 -1.501 9.269 1.00 0.00 H new ATOM 600 N CYS A 132 -0.268 0.144 2.503 1.00 0.00 N ATOM 601 CA CYS A 132 -1.620 0.574 2.054 1.00 0.00 C ATOM 602 C CYS A 132 -2.510 0.790 3.282 1.00 0.00 C ATOM 603 O CYS A 132 -2.750 -0.120 4.053 1.00 0.00 O ATOM 604 CB CYS A 132 -2.228 -0.513 1.163 1.00 0.00 C ATOM 605 SG CYS A 132 -3.980 -0.159 0.879 1.00 0.00 S ATOM 0 H CYS A 132 -0.036 -0.830 2.309 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.545 1.503 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.697 -0.556 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.116 -1.489 1.636 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.334 0.874 1.585 1.00 0.00 H new ATOM 610 N SER A 133 -2.994 1.987 3.473 1.00 0.00 N ATOM 611 CA SER A 133 -3.862 2.263 4.654 1.00 0.00 C ATOM 612 C SER A 133 -5.308 1.877 4.333 1.00 0.00 C ATOM 613 O SER A 133 -6.234 2.609 4.621 1.00 0.00 O ATOM 614 CB SER A 133 -3.799 3.753 4.994 1.00 0.00 C ATOM 615 OG SER A 133 -3.757 3.911 6.406 1.00 0.00 O ATOM 0 H SER A 133 -2.826 2.786 2.862 1.00 0.00 H new ATOM 0 HA SER A 133 -3.511 1.677 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 133 -2.917 4.205 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.668 4.268 4.584 1.00 0.00 H new ATOM 0 HG SER A 133 -3.715 4.865 6.627 1.00 0.00 H new ATOM 621 N CYS A 134 -5.509 0.734 3.740 1.00 0.00 N ATOM 622 CA CYS A 134 -6.895 0.302 3.402 1.00 0.00 C ATOM 623 C CYS A 134 -6.983 -1.224 3.450 1.00 0.00 C ATOM 624 O CYS A 134 -7.974 -1.784 3.876 1.00 0.00 O ATOM 625 CB CYS A 134 -7.253 0.789 1.996 1.00 0.00 C ATOM 626 SG CYS A 134 -7.792 2.516 2.075 1.00 0.00 S ATOM 0 H CYS A 134 -4.773 0.079 3.474 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.592 0.728 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.390 0.696 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.044 0.169 1.575 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.313 3.071 3.149 1.00 0.00 H new ATOM 632 N CYS A 135 -5.957 -1.905 3.016 1.00 0.00 N ATOM 633 CA CYS A 135 -5.989 -3.393 3.037 1.00 0.00 C ATOM 634 C CYS A 135 -4.685 -3.931 3.633 1.00 0.00 C ATOM 635 O CYS A 135 -4.482 -5.126 3.725 1.00 0.00 O ATOM 636 CB CYS A 135 -6.161 -3.919 1.608 1.00 0.00 C ATOM 637 SG CYS A 135 -4.619 -3.701 0.682 1.00 0.00 S ATOM 0 H CYS A 135 -5.099 -1.494 2.648 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.826 -3.728 3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.436 -4.973 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.972 -3.388 1.111 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.297 -2.442 0.665 1.00 0.00 H new ATOM 642 N GLU A 136 -3.794 -3.062 4.033 1.00 0.00 N ATOM 643 CA GLU A 136 -2.504 -3.531 4.614 1.00 0.00 C ATOM 644 C GLU A 136 -1.638 -4.121 3.499 1.00 0.00 C ATOM 645 O GLU A 136 -1.572 -5.321 3.318 1.00 0.00 O ATOM 646 CB GLU A 136 -2.772 -4.602 5.675 1.00 0.00 C ATOM 647 CG GLU A 136 -3.915 -4.149 6.586 1.00 0.00 C ATOM 648 CD GLU A 136 -3.341 -3.608 7.897 1.00 0.00 C ATOM 649 OE1 GLU A 136 -2.137 -3.689 8.071 1.00 0.00 O ATOM 650 OE2 GLU A 136 -4.117 -3.123 8.705 1.00 0.00 O ATOM 0 H GLU A 136 -3.905 -2.049 3.982 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.987 -2.691 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.028 -5.547 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.872 -4.778 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -4.505 -3.379 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.586 -4.984 6.788 1.00 0.00 H new ATOM 657 N MET A 137 -0.977 -3.284 2.749 1.00 0.00 N ATOM 658 CA MET A 137 -0.117 -3.789 1.640 1.00 0.00 C ATOM 659 C MET A 137 1.265 -3.147 1.739 1.00 0.00 C ATOM 660 O MET A 137 1.563 -2.435 2.674 1.00 0.00 O ATOM 661 CB MET A 137 -0.755 -3.421 0.298 1.00 0.00 C ATOM 662 CG MET A 137 -0.372 -4.462 -0.754 1.00 0.00 C ATOM 663 SD MET A 137 -1.870 -5.096 -1.547 1.00 0.00 S ATOM 664 CE MET A 137 -1.139 -5.453 -3.163 1.00 0.00 C ATOM 0 H MET A 137 -0.995 -2.270 2.856 1.00 0.00 H new ATOM 0 HA MET A 137 -0.021 -4.872 1.714 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.839 -3.374 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.421 -2.432 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.286 -4.016 -1.500 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.180 -5.279 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.902 -5.862 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.740 -4.534 -3.593 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.334 -6.178 -3.046 1.00 0.00 H new ATOM 674 N ASN A 138 2.110 -3.396 0.780 1.00 0.00 N ATOM 675 CA ASN A 138 3.476 -2.798 0.814 1.00 0.00 C ATOM 676 C ASN A 138 3.975 -2.591 -0.620 1.00 0.00 C ATOM 677 O ASN A 138 3.986 -3.505 -1.419 1.00 0.00 O ATOM 678 CB ASN A 138 4.427 -3.740 1.556 1.00 0.00 C ATOM 679 CG ASN A 138 3.970 -3.888 3.009 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.861 -2.914 3.727 1.00 0.00 O ATOM 681 ND2 ASN A 138 3.693 -5.076 3.475 1.00 0.00 N ATOM 0 H ASN A 138 1.916 -3.988 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 138 3.442 -1.838 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.444 -4.715 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.444 -3.348 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.385 -5.186 4.441 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.784 -5.894 2.873 1.00 0.00 H new ATOM 688 N VAL A 139 4.383 -1.395 -0.956 1.00 0.00 N ATOM 689 CA VAL A 139 4.871 -1.143 -2.342 1.00 0.00 C ATOM 690 C VAL A 139 5.962 -0.068 -2.330 1.00 0.00 C ATOM 691 O VAL A 139 6.382 0.397 -1.287 1.00 0.00 O ATOM 692 CB VAL A 139 3.704 -0.672 -3.210 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.632 -1.763 -3.261 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.103 0.601 -2.608 1.00 0.00 C ATOM 0 H VAL A 139 4.399 -0.587 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 139 5.286 -2.066 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 139 4.062 -0.466 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.800 -1.427 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.057 -2.672 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.274 -1.969 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.271 0.938 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.745 0.393 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.865 1.380 -2.569 1.00 0.00 H new ATOM 704 N HIS A 140 6.421 0.327 -3.490 1.00 0.00 N ATOM 705 CA HIS A 140 7.485 1.370 -3.570 1.00 0.00 C ATOM 706 C HIS A 140 6.837 2.751 -3.695 1.00 0.00 C ATOM 707 O HIS A 140 5.645 2.908 -3.521 1.00 0.00 O ATOM 708 CB HIS A 140 8.350 1.115 -4.809 1.00 0.00 C ATOM 709 CG HIS A 140 9.398 0.082 -4.500 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.282 -1.235 -4.916 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.592 0.159 -3.827 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.378 -1.892 -4.492 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.208 -1.089 -3.822 1.00 0.00 N ATOM 0 H HIS A 140 6.102 -0.031 -4.390 1.00 0.00 H new ATOM 0 HA HIS A 140 8.100 1.330 -2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.725 0.776 -5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.825 2.043 -5.129 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.508 -1.634 -5.447 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.992 1.052 -3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.563 -2.941 -4.672 1.00 0.00 H new ATOM 720 N ARG A 141 7.616 3.755 -4.005 1.00 0.00 N ATOM 721 CA ARG A 141 7.048 5.124 -4.152 1.00 0.00 C ATOM 722 C ARG A 141 6.717 5.374 -5.624 1.00 0.00 C ATOM 723 O ARG A 141 5.891 6.201 -5.955 1.00 0.00 O ATOM 724 CB ARG A 141 8.072 6.158 -3.681 1.00 0.00 C ATOM 725 CG ARG A 141 7.582 6.809 -2.387 1.00 0.00 C ATOM 726 CD ARG A 141 8.292 8.149 -2.189 1.00 0.00 C ATOM 727 NE ARG A 141 7.854 8.758 -0.901 1.00 0.00 N ATOM 728 CZ ARG A 141 8.650 9.566 -0.256 1.00 0.00 C ATOM 729 NH1 ARG A 141 9.664 10.111 -0.869 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.430 9.830 1.003 1.00 0.00 N ATOM 0 H ARG A 141 8.621 3.684 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 141 6.144 5.210 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.038 5.680 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.218 6.917 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.503 6.960 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.779 6.152 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 141 9.372 8.003 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 141 8.063 8.820 -3.017 1.00 0.00 H new ATOM 0 HE ARG A 141 6.931 8.543 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 141 9.835 9.906 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.286 10.743 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.636 9.405 1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 141 9.052 10.462 1.508 1.00 0.00 H new ATOM 744 N ARG A 142 7.356 4.661 -6.512 1.00 0.00 N ATOM 745 CA ARG A 142 7.079 4.853 -7.963 1.00 0.00 C ATOM 746 C ARG A 142 6.346 3.624 -8.506 1.00 0.00 C ATOM 747 O ARG A 142 6.059 3.530 -9.683 1.00 0.00 O ATOM 748 CB ARG A 142 8.397 5.041 -8.722 1.00 0.00 C ATOM 749 CG ARG A 142 9.520 4.285 -8.008 1.00 0.00 C ATOM 750 CD ARG A 142 10.847 4.543 -8.723 1.00 0.00 C ATOM 751 NE ARG A 142 11.057 6.011 -8.867 1.00 0.00 N ATOM 752 CZ ARG A 142 12.093 6.460 -9.521 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.579 5.777 -10.521 1.00 0.00 N ATOM 754 NH2 ARG A 142 12.644 7.592 -9.174 1.00 0.00 N ATOM 0 H ARG A 142 8.058 3.954 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 142 6.458 5.739 -8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.294 4.677 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 142 8.643 6.101 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.586 4.608 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.303 3.217 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.668 4.101 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.842 4.068 -9.704 1.00 0.00 H new ATOM 0 HE ARG A 142 10.391 6.665 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.149 4.892 -10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.389 6.128 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.265 8.125 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 142 13.454 7.943 -9.685 1.00 0.00 H new ATOM 768 N CYS A 143 6.036 2.682 -7.657 1.00 0.00 N ATOM 769 CA CYS A 143 5.316 1.464 -8.124 1.00 0.00 C ATOM 770 C CYS A 143 3.810 1.709 -8.030 1.00 0.00 C ATOM 771 O CYS A 143 3.024 1.091 -8.722 1.00 0.00 O ATOM 772 CB CYS A 143 5.695 0.274 -7.240 1.00 0.00 C ATOM 773 SG CYS A 143 7.278 -0.408 -7.789 1.00 0.00 S ATOM 0 H CYS A 143 6.250 2.704 -6.660 1.00 0.00 H new ATOM 0 HA CYS A 143 5.591 1.247 -9.156 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.764 0.589 -6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.920 -0.491 -7.291 1.00 0.00 H new ATOM 0 HG CYS A 143 7.067 -1.470 -8.508 1.00 0.00 H new ATOM 778 N VAL A 144 3.401 2.608 -7.177 1.00 0.00 N ATOM 779 CA VAL A 144 1.949 2.900 -7.036 1.00 0.00 C ATOM 780 C VAL A 144 1.414 3.471 -8.350 1.00 0.00 C ATOM 781 O VAL A 144 0.328 3.144 -8.786 1.00 0.00 O ATOM 782 CB VAL A 144 1.743 3.921 -5.914 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.272 4.340 -5.867 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.138 3.292 -4.574 1.00 0.00 C ATOM 0 H VAL A 144 4.013 3.154 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 144 1.414 1.981 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 144 2.363 4.797 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.126 5.067 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.010 4.787 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.350 3.465 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 144 1.992 4.018 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 144 1.518 2.416 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.186 2.994 -4.607 1.00 0.00 H new ATOM 794 N ARG A 145 2.171 4.323 -8.989 1.00 0.00 N ATOM 795 CA ARG A 145 1.705 4.913 -10.275 1.00 0.00 C ATOM 796 C ARG A 145 1.464 3.795 -11.289 1.00 0.00 C ATOM 797 O ARG A 145 0.815 3.987 -12.298 1.00 0.00 O ATOM 798 CB ARG A 145 2.772 5.869 -10.814 1.00 0.00 C ATOM 799 CG ARG A 145 2.240 6.574 -12.063 1.00 0.00 C ATOM 800 CD ARG A 145 3.093 7.808 -12.357 1.00 0.00 C ATOM 801 NE ARG A 145 2.429 8.632 -13.406 1.00 0.00 N ATOM 802 CZ ARG A 145 3.113 9.534 -14.057 1.00 0.00 C ATOM 803 NH1 ARG A 145 3.182 10.755 -13.602 1.00 0.00 N ATOM 804 NH2 ARG A 145 3.727 9.213 -15.163 1.00 0.00 N ATOM 0 H ARG A 145 3.090 4.635 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 145 0.777 5.461 -10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.035 6.604 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.682 5.318 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.261 5.893 -12.914 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.200 6.865 -11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 145 3.227 8.395 -11.449 1.00 0.00 H new ATOM 0 HD3 ARG A 145 4.086 7.506 -12.691 1.00 0.00 H new ATOM 0 HE ARG A 145 1.441 8.492 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 145 2.702 11.005 -12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 145 3.716 11.459 -14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 145 3.672 8.258 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 145 4.262 9.917 -15.672 1.00 0.00 H new ATOM 818 N SER A 146 1.983 2.627 -11.029 1.00 0.00 N ATOM 819 CA SER A 146 1.784 1.494 -11.976 1.00 0.00 C ATOM 820 C SER A 146 0.588 0.656 -11.524 1.00 0.00 C ATOM 821 O SER A 146 -0.069 0.015 -12.319 1.00 0.00 O ATOM 822 CB SER A 146 3.039 0.622 -11.998 1.00 0.00 C ATOM 823 OG SER A 146 4.190 1.455 -12.034 1.00 0.00 O ATOM 0 H SER A 146 2.537 2.408 -10.201 1.00 0.00 H new ATOM 0 HA SER A 146 1.596 1.885 -12.976 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.067 -0.018 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.024 -0.035 -12.868 1.00 0.00 H new ATOM 0 HG SER A 146 4.996 0.898 -12.046 1.00 0.00 H new ATOM 829 N VAL A 147 0.299 0.655 -10.250 1.00 0.00 N ATOM 830 CA VAL A 147 -0.855 -0.144 -9.752 1.00 0.00 C ATOM 831 C VAL A 147 -2.155 0.615 -10.036 1.00 0.00 C ATOM 832 O VAL A 147 -2.219 1.815 -9.853 1.00 0.00 O ATOM 833 CB VAL A 147 -0.715 -0.359 -8.243 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.896 -1.184 -7.732 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.589 -1.106 -7.955 1.00 0.00 C ATOM 0 H VAL A 147 0.811 1.172 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.874 -1.110 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.702 0.607 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.795 -1.337 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.826 -0.654 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.910 -2.150 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.690 -1.260 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.574 -2.072 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.432 -0.519 -8.319 1.00 0.00 H new ATOM 845 N PRO A 148 -3.157 -0.105 -10.473 1.00 0.00 N ATOM 846 CA PRO A 148 -4.470 0.479 -10.788 1.00 0.00 C ATOM 847 C PRO A 148 -5.258 0.726 -9.499 1.00 0.00 C ATOM 848 O PRO A 148 -5.592 1.847 -9.170 1.00 0.00 O ATOM 849 CB PRO A 148 -5.146 -0.596 -11.644 1.00 0.00 C ATOM 850 CG PRO A 148 -4.442 -1.930 -11.303 1.00 0.00 C ATOM 851 CD PRO A 148 -3.076 -1.563 -10.694 1.00 0.00 C ATOM 0 HA PRO A 148 -4.405 1.440 -11.298 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -6.212 -0.653 -11.426 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -5.049 -0.366 -12.705 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.036 -2.513 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.316 -2.541 -12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.900 -2.098 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -2.258 -1.819 -11.368 1.00 0.00 H new ATOM 859 N SER A 149 -5.552 -0.315 -8.768 1.00 0.00 N ATOM 860 CA SER A 149 -6.315 -0.146 -7.499 1.00 0.00 C ATOM 861 C SER A 149 -6.896 -1.496 -7.073 1.00 0.00 C ATOM 862 O SER A 149 -8.095 -1.688 -7.056 1.00 0.00 O ATOM 863 CB SER A 149 -7.454 0.850 -7.716 1.00 0.00 C ATOM 864 OG SER A 149 -7.799 0.876 -9.095 1.00 0.00 O ATOM 0 H SER A 149 -5.296 -1.276 -8.995 1.00 0.00 H new ATOM 0 HA SER A 149 -5.649 0.228 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 149 -8.320 0.566 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.151 1.844 -7.386 1.00 0.00 H new ATOM 0 HG SER A 149 -7.341 1.624 -9.533 1.00 0.00 H new ATOM 870 N LEU A 150 -6.056 -2.433 -6.727 1.00 0.00 N ATOM 871 CA LEU A 150 -6.563 -3.767 -6.300 1.00 0.00 C ATOM 872 C LEU A 150 -6.832 -3.755 -4.795 1.00 0.00 C ATOM 873 O LEU A 150 -6.607 -4.729 -4.105 1.00 0.00 O ATOM 874 CB LEU A 150 -5.515 -4.836 -6.622 1.00 0.00 C ATOM 875 CG LEU A 150 -4.934 -4.574 -8.013 1.00 0.00 C ATOM 876 CD1 LEU A 150 -3.485 -4.102 -7.879 1.00 0.00 C ATOM 877 CD2 LEU A 150 -4.975 -5.866 -8.833 1.00 0.00 C ATOM 0 H LEU A 150 -5.041 -2.332 -6.722 1.00 0.00 H new ATOM 0 HA LEU A 150 -7.488 -3.991 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.721 -4.820 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -5.967 -5.827 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.522 -3.805 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -3.070 -3.915 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -3.454 -3.183 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -2.897 -4.871 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.561 -5.681 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.386 -6.634 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.007 -6.204 -8.928 1.00 0.00 H new ATOM 889 N CYS A 151 -7.314 -2.656 -4.279 1.00 0.00 N ATOM 890 CA CYS A 151 -7.598 -2.580 -2.819 1.00 0.00 C ATOM 891 C CYS A 151 -9.032 -3.042 -2.555 1.00 0.00 C ATOM 892 O CYS A 151 -9.908 -2.250 -2.270 1.00 0.00 O ATOM 893 CB CYS A 151 -7.426 -1.135 -2.344 1.00 0.00 C ATOM 894 SG CYS A 151 -6.950 -1.128 -0.599 1.00 0.00 S ATOM 0 H CYS A 151 -7.523 -1.808 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.906 -3.224 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.666 -0.632 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.356 -0.583 -2.481 1.00 0.00 H new ATOM 0 HG CYS A 151 -5.814 -0.512 -0.462 1.00 0.00 H new