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= -15.5! C(o=-14!,f=-22!) USER MOD Set 1.2: A 132 CYS SG : rot 120:sc= 1.82 USER MOD Set 1.3: A 135 CYS SG : rot -73:sc= 0.577 USER MOD Set 1.4: A 151 CYS SG : rot 40:sc= -0.657 USER MOD Set 2.1: A 115 CYS SG : rot 14:sc= -0.88! USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.859 K(o=-24,f=-26) USER MOD Set 2.3: A 118 CYS SG : rot -54:sc= -3.85! USER MOD Set 2.4: A 140 HIS : no HE2:sc= -16.9! C(o=-24!,f=-31!) USER MOD Set 2.5: A 143 CYS SG : rot -170:sc= -1.73! USER MOD Set 3.1: A 110 SER OG : rot 180:sc= -0.0636 USER MOD Set 3.2: A 111 SER OG : rot 180:sc= -0.0903 USER MOD Set 4.1: A 109 TYR OH : rot 107:sc= 1.18 USER MOD Set 4.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 128 GLN :FLIP amide:sc= -15.7! C(o=-19!,f=-17!) USER MOD Set 4.4: A 138 ASN : amide:sc= -2.41! C(o=-17!,f=-25!) USER MOD Set 5.1: A 108 SER OG : rot -81:sc= -1.42 USER MOD Set 5.2: A 127 HIS : no HD1:sc= -1.71! C(o=-3.1!,f=-10!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.186 F(o=-0.69,f=-0.19) USER MOD Single : A 120 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 170:sc=-0.00927 (180deg=-0.0305) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 65:sc= 1.13 USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 102 -5.959 3.078 -3.448 1.00 0.00 N ATOM 133 CA HIS A 102 -5.137 2.567 -2.314 1.00 0.00 C ATOM 134 C HIS A 102 -4.821 3.713 -1.352 1.00 0.00 C ATOM 135 O HIS A 102 -4.482 4.806 -1.762 1.00 0.00 O ATOM 136 CB HIS A 102 -3.816 2.002 -2.840 1.00 0.00 C ATOM 137 CG HIS A 102 -4.033 0.648 -3.456 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.475 -0.445 -2.724 1.00 0.00 N ATOM 139 CD2 HIS A 102 -3.852 0.194 -4.737 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.541 -1.494 -3.565 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.173 -1.159 -4.805 1.00 0.00 N ATOM 0 HA HIS A 102 -5.697 1.786 -1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.392 2.681 -3.579 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.095 1.927 -2.026 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -4.707 -0.452 -1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.512 0.795 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.853 -2.486 -3.273 1.00 0.00 H new ATOM 148 N LYS A 103 -4.910 3.467 -0.076 1.00 0.00 N ATOM 149 CA LYS A 103 -4.591 4.533 0.913 1.00 0.00 C ATOM 150 C LYS A 103 -3.122 4.397 1.321 1.00 0.00 C ATOM 151 O LYS A 103 -2.777 4.488 2.482 1.00 0.00 O ATOM 152 CB LYS A 103 -5.486 4.375 2.145 1.00 0.00 C ATOM 153 CG LYS A 103 -6.793 5.141 1.929 1.00 0.00 C ATOM 154 CD LYS A 103 -6.611 6.596 2.367 1.00 0.00 C ATOM 155 CE LYS A 103 -7.702 6.967 3.374 1.00 0.00 C ATOM 156 NZ LYS A 103 -7.880 8.446 3.390 1.00 0.00 N ATOM 0 H LYS A 103 -5.190 2.572 0.326 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.765 5.515 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.696 3.320 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.974 4.751 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.082 5.100 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.598 4.676 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.627 6.731 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.661 7.256 1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.640 6.480 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.430 6.612 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.621 8.699 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.986 8.900 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.157 8.773 2.442 1.00 0.00 H new ATOM 170 N PHE A 104 -2.258 4.167 0.366 1.00 0.00 N ATOM 171 CA PHE A 104 -0.806 4.008 0.673 1.00 0.00 C ATOM 172 C PHE A 104 -0.381 5.014 1.746 1.00 0.00 C ATOM 173 O PHE A 104 -0.858 6.130 1.789 1.00 0.00 O ATOM 174 CB PHE A 104 0.009 4.249 -0.601 1.00 0.00 C ATOM 175 CG PHE A 104 -0.324 3.187 -1.624 1.00 0.00 C ATOM 176 CD1 PHE A 104 -0.168 1.832 -1.305 1.00 0.00 C ATOM 177 CD2 PHE A 104 -0.784 3.557 -2.896 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.471 0.848 -2.254 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.088 2.572 -3.845 1.00 0.00 C ATOM 180 CZ PHE A 104 -0.932 1.217 -3.523 1.00 0.00 C ATOM 0 H PHE A 104 -2.499 4.082 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.627 2.998 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.211 5.238 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.075 4.227 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.186 1.546 -0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.904 4.601 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.349 -0.196 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.443 2.857 -4.825 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.167 0.458 -4.254 1.00 0.00 H new ATOM 190 N ARG A 105 0.515 4.625 2.613 1.00 0.00 N ATOM 191 CA ARG A 105 0.974 5.556 3.681 1.00 0.00 C ATOM 192 C ARG A 105 2.417 5.222 4.058 1.00 0.00 C ATOM 193 O ARG A 105 2.694 4.193 4.642 1.00 0.00 O ATOM 194 CB ARG A 105 0.077 5.404 4.911 1.00 0.00 C ATOM 195 CG ARG A 105 0.618 6.270 6.050 1.00 0.00 C ATOM 196 CD ARG A 105 -0.068 5.875 7.360 1.00 0.00 C ATOM 197 NE ARG A 105 -0.730 7.070 7.956 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.980 7.007 8.326 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.333 6.222 9.306 1.00 0.00 N ATOM 200 NH2 ARG A 105 -2.879 7.731 7.715 1.00 0.00 N ATOM 0 H ARG A 105 0.949 3.702 2.627 1.00 0.00 H new ATOM 0 HA ARG A 105 0.920 6.582 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.944 5.700 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.041 4.359 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.697 6.141 6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 105 0.439 7.324 5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.804 5.093 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 105 0.664 5.466 8.057 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.206 7.937 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.632 5.656 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.310 6.174 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.604 8.346 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -3.856 7.682 8.004 1.00 0.00 H new ATOM 214 N LEU A 106 3.342 6.080 3.728 1.00 0.00 N ATOM 215 CA LEU A 106 4.764 5.807 4.069 1.00 0.00 C ATOM 216 C LEU A 106 4.859 5.353 5.528 1.00 0.00 C ATOM 217 O LEU A 106 4.140 5.827 6.384 1.00 0.00 O ATOM 218 CB LEU A 106 5.587 7.082 3.874 1.00 0.00 C ATOM 219 CG LEU A 106 5.242 8.083 4.975 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.090 9.345 4.803 1.00 0.00 C ATOM 221 CD2 LEU A 106 3.760 8.450 4.883 1.00 0.00 C ATOM 0 H LEU A 106 3.174 6.958 3.237 1.00 0.00 H new ATOM 0 HA LEU A 106 5.152 5.022 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.651 6.848 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.380 7.515 2.896 1.00 0.00 H new ATOM 0 HG LEU A 106 5.448 7.637 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.843 10.059 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.147 9.085 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.885 9.791 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.513 9.164 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.555 8.896 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.154 7.552 5.006 1.00 0.00 H new ATOM 233 N HIS A 107 5.742 4.437 5.815 1.00 0.00 N ATOM 234 CA HIS A 107 5.887 3.949 7.218 1.00 0.00 C ATOM 235 C HIS A 107 7.372 3.889 7.581 1.00 0.00 C ATOM 236 O HIS A 107 8.230 4.154 6.762 1.00 0.00 O ATOM 237 CB HIS A 107 5.271 2.554 7.340 1.00 0.00 C ATOM 238 CG HIS A 107 4.191 2.568 8.388 1.00 0.00 C ATOM 239 ND1 HIS A 107 4.241 2.492 9.758 1.00 0.00 N flip ATOM 240 CD2 HIS A 107 2.847 2.664 8.063 1.00 0.00 C flip ATOM 241 CE1 HIS A 107 2.951 2.539 10.277 1.00 0.00 C flip ATOM 242 NE2 HIS A 107 2.149 2.643 9.214 1.00 0.00 N flip ATOM 0 H HIS A 107 6.371 4.004 5.139 1.00 0.00 H new ATOM 0 HA HIS A 107 5.374 4.630 7.897 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.857 2.243 6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.040 1.828 7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.435 2.742 7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 107 2.660 2.500 11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.132 2.700 9.268 1.00 0.00 H new ATOM 250 N SER A 108 7.685 3.547 8.802 1.00 0.00 N ATOM 251 CA SER A 108 9.118 3.478 9.205 1.00 0.00 C ATOM 252 C SER A 108 9.301 2.427 10.304 1.00 0.00 C ATOM 253 O SER A 108 8.756 2.543 11.383 1.00 0.00 O ATOM 254 CB SER A 108 9.558 4.843 9.734 1.00 0.00 C ATOM 255 OG SER A 108 8.808 5.862 9.084 1.00 0.00 O ATOM 0 H SER A 108 7.014 3.314 9.534 1.00 0.00 H new ATOM 0 HA SER A 108 9.722 3.202 8.341 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.406 4.895 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.623 4.989 9.555 1.00 0.00 H new ATOM 0 HG SER A 108 9.200 6.047 8.205 1.00 0.00 H new ATOM 261 N TYR A 109 10.074 1.406 10.042 1.00 0.00 N ATOM 262 CA TYR A 109 10.301 0.358 11.078 1.00 0.00 C ATOM 263 C TYR A 109 11.780 0.355 11.470 1.00 0.00 C ATOM 264 O TYR A 109 12.129 0.396 12.633 1.00 0.00 O ATOM 265 CB TYR A 109 9.928 -1.019 10.522 1.00 0.00 C ATOM 266 CG TYR A 109 8.766 -0.894 9.565 1.00 0.00 C ATOM 267 CD1 TYR A 109 7.672 -0.079 9.886 1.00 0.00 C ATOM 268 CD2 TYR A 109 8.780 -1.603 8.357 1.00 0.00 C ATOM 269 CE1 TYR A 109 6.594 0.029 8.996 1.00 0.00 C ATOM 270 CE2 TYR A 109 7.702 -1.497 7.469 1.00 0.00 C ATOM 271 CZ TYR A 109 6.609 -0.681 7.788 1.00 0.00 C ATOM 272 OH TYR A 109 5.546 -0.579 6.914 1.00 0.00 O ATOM 0 H TYR A 109 10.557 1.253 9.157 1.00 0.00 H new ATOM 0 HA TYR A 109 9.681 0.573 11.948 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.785 -1.458 10.011 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.666 -1.691 11.339 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.659 0.466 10.819 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.623 -2.232 8.110 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.752 0.659 9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.713 -2.045 6.538 1.00 0.00 H new ATOM 0 HH TYR A 109 5.809 -0.037 6.141 1.00 0.00 H new ATOM 282 N SER A 110 12.651 0.305 10.499 1.00 0.00 N ATOM 283 CA SER A 110 14.111 0.295 10.793 1.00 0.00 C ATOM 284 C SER A 110 14.869 -0.021 9.504 1.00 0.00 C ATOM 285 O SER A 110 15.978 0.429 9.292 1.00 0.00 O ATOM 286 CB SER A 110 14.416 -0.774 11.842 1.00 0.00 C ATOM 287 OG SER A 110 13.652 -1.939 11.561 1.00 0.00 O ATOM 0 H SER A 110 12.411 0.270 9.508 1.00 0.00 H new ATOM 0 HA SER A 110 14.419 1.268 11.176 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.480 -1.012 11.836 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.178 -0.401 12.838 1.00 0.00 H new ATOM 0 HG SER A 110 13.846 -2.627 12.231 1.00 0.00 H new ATOM 293 N SER A 111 14.267 -0.789 8.637 1.00 0.00 N ATOM 294 CA SER A 111 14.929 -1.141 7.350 1.00 0.00 C ATOM 295 C SER A 111 13.860 -1.262 6.260 1.00 0.00 C ATOM 296 O SER A 111 12.690 -1.397 6.558 1.00 0.00 O ATOM 297 CB SER A 111 15.664 -2.474 7.499 1.00 0.00 C ATOM 298 OG SER A 111 16.163 -2.589 8.826 1.00 0.00 O ATOM 0 H SER A 111 13.338 -1.190 8.767 1.00 0.00 H new ATOM 0 HA SER A 111 15.647 -0.367 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.989 -3.301 7.279 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.484 -2.532 6.783 1.00 0.00 H new ATOM 0 HG SER A 111 16.633 -3.443 8.926 1.00 0.00 H new ATOM 304 N PRO A 112 14.293 -1.207 5.027 1.00 0.00 N ATOM 305 CA PRO A 112 13.388 -1.304 3.869 1.00 0.00 C ATOM 306 C PRO A 112 12.952 -2.753 3.637 1.00 0.00 C ATOM 307 O PRO A 112 13.764 -3.648 3.508 1.00 0.00 O ATOM 308 CB PRO A 112 14.236 -0.782 2.705 1.00 0.00 C ATOM 309 CG PRO A 112 15.713 -0.942 3.134 1.00 0.00 C ATOM 310 CD PRO A 112 15.717 -1.046 4.673 1.00 0.00 C ATOM 0 HA PRO A 112 12.465 -0.740 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.033 -1.345 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 112 14.004 0.262 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 112 16.153 -1.832 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.307 -0.091 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 112 16.311 -1.894 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 112 16.143 -0.154 5.132 1.00 0.00 H new ATOM 318 N THR A 113 11.668 -2.983 3.580 1.00 0.00 N ATOM 319 CA THR A 113 11.158 -4.364 3.353 1.00 0.00 C ATOM 320 C THR A 113 11.031 -4.603 1.853 1.00 0.00 C ATOM 321 O THR A 113 11.363 -3.756 1.053 1.00 0.00 O ATOM 322 CB THR A 113 9.785 -4.514 4.013 1.00 0.00 C ATOM 323 OG1 THR A 113 9.712 -3.658 5.146 1.00 0.00 O ATOM 324 CG2 THR A 113 9.582 -5.964 4.451 1.00 0.00 C ATOM 0 H THR A 113 10.947 -2.269 3.682 1.00 0.00 H new ATOM 0 HA THR A 113 11.847 -5.090 3.785 1.00 0.00 H new ATOM 0 HB THR A 113 9.006 -4.242 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.833 -3.751 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.604 -6.069 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 113 9.639 -6.618 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.358 -6.241 5.164 1.00 0.00 H new ATOM 332 N PHE A 114 10.562 -5.748 1.465 1.00 0.00 N ATOM 333 CA PHE A 114 10.432 -6.029 0.009 1.00 0.00 C ATOM 334 C PHE A 114 9.191 -5.325 -0.540 1.00 0.00 C ATOM 335 O PHE A 114 8.454 -4.686 0.184 1.00 0.00 O ATOM 336 CB PHE A 114 10.299 -7.538 -0.221 1.00 0.00 C ATOM 337 CG PHE A 114 11.362 -8.268 0.564 1.00 0.00 C ATOM 338 CD1 PHE A 114 12.579 -7.637 0.846 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.131 -9.577 1.007 1.00 0.00 C ATOM 340 CE1 PHE A 114 13.568 -8.314 1.573 1.00 0.00 C ATOM 341 CE2 PHE A 114 12.119 -10.255 1.735 1.00 0.00 C ATOM 342 CZ PHE A 114 13.337 -9.622 2.019 1.00 0.00 C ATOM 0 H PHE A 114 10.263 -6.500 2.086 1.00 0.00 H new ATOM 0 HA PHE A 114 11.320 -5.661 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 114 9.310 -7.877 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.398 -7.764 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 114 12.756 -6.628 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.192 -10.064 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 114 14.508 -7.828 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 114 11.942 -11.264 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.098 -10.143 2.582 1.00 0.00 H new ATOM 352 N CYS A 115 8.965 -5.429 -1.820 1.00 0.00 N ATOM 353 CA CYS A 115 7.783 -4.756 -2.425 1.00 0.00 C ATOM 354 C CYS A 115 6.798 -5.808 -2.941 1.00 0.00 C ATOM 355 O CYS A 115 7.177 -6.775 -3.573 1.00 0.00 O ATOM 356 CB CYS A 115 8.257 -3.871 -3.581 1.00 0.00 C ATOM 357 SG CYS A 115 6.852 -3.349 -4.595 1.00 0.00 S ATOM 0 H CYS A 115 9.549 -5.952 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 115 7.281 -4.143 -1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.775 -2.996 -3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.973 -4.417 -4.195 1.00 0.00 H new ATOM 0 HG CYS A 115 5.744 -3.590 -3.959 1.00 0.00 H new ATOM 362 N ASP A 116 5.536 -5.621 -2.673 1.00 0.00 N ATOM 363 CA ASP A 116 4.516 -6.602 -3.142 1.00 0.00 C ATOM 364 C ASP A 116 4.023 -6.205 -4.533 1.00 0.00 C ATOM 365 O ASP A 116 2.866 -6.365 -4.867 1.00 0.00 O ATOM 366 CB ASP A 116 3.331 -6.611 -2.183 1.00 0.00 C ATOM 367 CG ASP A 116 2.999 -5.180 -1.758 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.668 -4.388 -2.625 1.00 0.00 O ATOM 369 OD2 ASP A 116 3.082 -4.901 -0.574 1.00 0.00 O ATOM 0 H ASP A 116 5.165 -4.829 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 116 4.968 -7.593 -3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.466 -7.068 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.565 -7.216 -1.307 1.00 0.00 H new ATOM 374 N HIS A 117 4.897 -5.692 -5.340 1.00 0.00 N ATOM 375 CA HIS A 117 4.505 -5.280 -6.715 1.00 0.00 C ATOM 376 C HIS A 117 5.627 -5.652 -7.685 1.00 0.00 C ATOM 377 O HIS A 117 5.385 -6.096 -8.789 1.00 0.00 O ATOM 378 CB HIS A 117 4.277 -3.767 -6.750 1.00 0.00 C ATOM 379 CG HIS A 117 3.840 -3.356 -8.129 1.00 0.00 C ATOM 380 ND1 HIS A 117 2.502 -3.292 -8.491 1.00 0.00 N ATOM 381 CD2 HIS A 117 4.548 -2.981 -9.244 1.00 0.00 C ATOM 382 CE1 HIS A 117 2.449 -2.894 -9.775 1.00 0.00 C ATOM 383 NE2 HIS A 117 3.668 -2.691 -10.283 1.00 0.00 N ATOM 0 H HIS A 117 5.878 -5.537 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 117 3.585 -5.788 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.520 -3.486 -6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.194 -3.244 -6.477 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.625 -2.920 -9.306 1.00 0.00 H new ATOM 0 HE1 HIS A 117 1.532 -2.755 -10.328 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.903 -2.389 -11.228 1.00 0.00 H new ATOM 391 N CYS A 118 6.853 -5.480 -7.274 1.00 0.00 N ATOM 392 CA CYS A 118 7.993 -5.830 -8.165 1.00 0.00 C ATOM 393 C CYS A 118 8.807 -6.954 -7.518 1.00 0.00 C ATOM 394 O CYS A 118 9.685 -7.530 -8.129 1.00 0.00 O ATOM 395 CB CYS A 118 8.878 -4.600 -8.366 1.00 0.00 C ATOM 396 SG CYS A 118 9.305 -3.896 -6.756 1.00 0.00 S ATOM 0 H CYS A 118 7.114 -5.112 -6.359 1.00 0.00 H new ATOM 0 HA CYS A 118 7.618 -6.163 -9.133 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.784 -4.875 -8.907 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.357 -3.859 -8.972 1.00 0.00 H new ATOM 0 HG CYS A 118 8.218 -3.673 -6.078 1.00 0.00 H new ATOM 401 N GLY A 119 8.521 -7.272 -6.282 1.00 0.00 N ATOM 402 CA GLY A 119 9.276 -8.359 -5.597 1.00 0.00 C ATOM 403 C GLY A 119 10.737 -7.942 -5.424 1.00 0.00 C ATOM 404 O GLY A 119 11.644 -8.662 -5.792 1.00 0.00 O ATOM 0 H GLY A 119 7.797 -6.825 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.830 -8.568 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.217 -9.279 -6.179 1.00 0.00 H new ATOM 408 N SER A 120 10.975 -6.783 -4.871 1.00 0.00 N ATOM 409 CA SER A 120 12.382 -6.329 -4.683 1.00 0.00 C ATOM 410 C SER A 120 12.498 -5.521 -3.389 1.00 0.00 C ATOM 411 O SER A 120 11.538 -4.951 -2.911 1.00 0.00 O ATOM 412 CB SER A 120 12.793 -5.452 -5.866 1.00 0.00 C ATOM 413 OG SER A 120 12.453 -6.109 -7.078 1.00 0.00 O ATOM 0 H SER A 120 10.260 -6.134 -4.543 1.00 0.00 H new ATOM 0 HA SER A 120 13.036 -7.199 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.291 -4.486 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.865 -5.256 -5.833 1.00 0.00 H new ATOM 0 HG SER A 120 12.714 -5.548 -7.838 1.00 0.00 H new ATOM 419 N LEU A 121 13.673 -5.463 -2.822 1.00 0.00 N ATOM 420 CA LEU A 121 13.857 -4.688 -1.563 1.00 0.00 C ATOM 421 C LEU A 121 13.695 -3.194 -1.843 1.00 0.00 C ATOM 422 O LEU A 121 14.072 -2.700 -2.886 1.00 0.00 O ATOM 423 CB LEU A 121 15.255 -4.942 -0.992 1.00 0.00 C ATOM 424 CG LEU A 121 15.200 -6.101 0.005 1.00 0.00 C ATOM 425 CD1 LEU A 121 16.553 -6.816 0.036 1.00 0.00 C ATOM 426 CD2 LEU A 121 14.883 -5.548 1.398 1.00 0.00 C ATOM 0 H LEU A 121 14.513 -5.919 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 121 13.105 -5.008 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.951 -5.175 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.627 -4.043 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 121 14.427 -6.808 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.512 -7.641 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.783 -7.203 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.329 -6.113 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.842 -6.368 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 121 15.661 -4.845 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.920 -5.037 1.376 1.00 0.00 H new ATOM 438 N LEU A 122 13.145 -2.476 -0.905 1.00 0.00 N ATOM 439 CA LEU A 122 12.962 -1.010 -1.091 1.00 0.00 C ATOM 440 C LEU A 122 14.259 -0.296 -0.702 1.00 0.00 C ATOM 441 O LEU A 122 14.315 0.426 0.274 1.00 0.00 O ATOM 442 CB LEU A 122 11.823 -0.523 -0.191 1.00 0.00 C ATOM 443 CG LEU A 122 10.617 -1.453 -0.341 1.00 0.00 C ATOM 444 CD1 LEU A 122 9.836 -1.496 0.974 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.705 -0.929 -1.451 1.00 0.00 C ATOM 0 H LEU A 122 12.813 -2.843 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 122 12.718 -0.795 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.151 -0.501 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.545 0.496 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 122 10.963 -2.455 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.977 -2.159 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.483 -1.867 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 122 9.491 -0.493 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.846 -1.591 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.361 0.074 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 122 10.257 -0.896 -2.390 1.00 0.00 H new ATOM 457 N TYR A 123 15.308 -0.499 -1.454 1.00 0.00 N ATOM 458 CA TYR A 123 16.606 0.156 -1.126 1.00 0.00 C ATOM 459 C TYR A 123 16.403 1.664 -0.971 1.00 0.00 C ATOM 460 O TYR A 123 15.291 2.152 -0.952 1.00 0.00 O ATOM 461 CB TYR A 123 17.607 -0.112 -2.250 1.00 0.00 C ATOM 462 CG TYR A 123 18.147 -1.516 -2.117 1.00 0.00 C ATOM 463 CD1 TYR A 123 18.862 -1.885 -0.968 1.00 0.00 C ATOM 464 CD2 TYR A 123 17.933 -2.450 -3.139 1.00 0.00 C ATOM 465 CE1 TYR A 123 19.362 -3.187 -0.844 1.00 0.00 C ATOM 466 CE2 TYR A 123 18.433 -3.753 -3.013 1.00 0.00 C ATOM 467 CZ TYR A 123 19.147 -4.121 -1.866 1.00 0.00 C ATOM 468 OH TYR A 123 19.641 -5.405 -1.743 1.00 0.00 O ATOM 0 H TYR A 123 15.321 -1.092 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 123 16.988 -0.251 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 123 17.124 0.013 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 123 18.423 0.609 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 123 19.027 -1.165 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.383 -2.166 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.914 -3.471 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 123 18.268 -4.473 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 123 19.403 -5.925 -2.539 1.00 0.00 H new ATOM 478 N GLY A 124 17.473 2.405 -0.855 1.00 0.00 N ATOM 479 CA GLY A 124 17.349 3.882 -0.697 1.00 0.00 C ATOM 480 C GLY A 124 16.311 4.420 -1.682 1.00 0.00 C ATOM 481 O GLY A 124 16.617 4.725 -2.817 1.00 0.00 O ATOM 0 H GLY A 124 18.429 2.050 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.056 4.125 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.313 4.359 -0.873 1.00 0.00 H new ATOM 485 N LEU A 125 15.085 4.541 -1.253 1.00 0.00 N ATOM 486 CA LEU A 125 14.022 5.061 -2.160 1.00 0.00 C ATOM 487 C LEU A 125 12.885 5.644 -1.320 1.00 0.00 C ATOM 488 O LEU A 125 12.307 6.658 -1.657 1.00 0.00 O ATOM 489 CB LEU A 125 13.481 3.918 -3.022 1.00 0.00 C ATOM 490 CG LEU A 125 14.546 3.484 -4.030 1.00 0.00 C ATOM 491 CD1 LEU A 125 13.997 2.347 -4.894 1.00 0.00 C ATOM 492 CD2 LEU A 125 14.916 4.669 -4.924 1.00 0.00 C ATOM 0 H LEU A 125 14.773 4.302 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 125 14.438 5.835 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.199 3.075 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.580 4.239 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 125 15.432 3.141 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.756 2.037 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.733 1.502 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.111 2.691 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.675 4.360 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.030 5.013 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.307 5.480 -4.310 1.00 0.00 H new ATOM 504 N VAL A 126 12.558 5.008 -0.227 1.00 0.00 N ATOM 505 CA VAL A 126 11.458 5.523 0.635 1.00 0.00 C ATOM 506 C VAL A 126 11.822 5.301 2.103 1.00 0.00 C ATOM 507 O VAL A 126 12.716 4.542 2.421 1.00 0.00 O ATOM 508 CB VAL A 126 10.167 4.769 0.313 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.840 4.926 -1.174 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.349 3.285 0.637 1.00 0.00 C ATOM 0 H VAL A 126 13.006 4.154 0.105 1.00 0.00 H new ATOM 0 HA VAL A 126 11.315 6.588 0.450 1.00 0.00 H new ATOM 0 HB VAL A 126 9.352 5.176 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.920 4.388 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.711 5.983 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.656 4.519 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.429 2.747 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.165 2.879 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.583 3.170 1.695 1.00 0.00 H new ATOM 520 N HIS A 127 11.134 5.953 3.003 1.00 0.00 N ATOM 521 CA HIS A 127 11.442 5.769 4.450 1.00 0.00 C ATOM 522 C HIS A 127 11.645 4.280 4.731 1.00 0.00 C ATOM 523 O HIS A 127 12.477 3.894 5.529 1.00 0.00 O ATOM 524 CB HIS A 127 10.274 6.292 5.288 1.00 0.00 C ATOM 525 CG HIS A 127 10.788 6.810 6.603 1.00 0.00 C ATOM 526 ND1 HIS A 127 9.949 7.366 7.556 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.051 6.858 7.140 1.00 0.00 C ATOM 528 CE1 HIS A 127 10.710 7.721 8.607 1.00 0.00 C ATOM 529 NE2 HIS A 127 11.999 7.433 8.406 1.00 0.00 N ATOM 0 H HIS A 127 10.375 6.603 2.799 1.00 0.00 H new ATOM 0 HA HIS A 127 12.347 6.319 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.755 7.086 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.550 5.495 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.948 6.504 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.326 8.183 9.504 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.778 7.599 9.044 1.00 0.00 H new ATOM 537 N GLN A 128 10.893 3.442 4.074 1.00 0.00 N ATOM 538 CA GLN A 128 11.036 1.975 4.288 1.00 0.00 C ATOM 539 C GLN A 128 10.031 1.238 3.400 1.00 0.00 C ATOM 540 O GLN A 128 10.311 0.176 2.878 1.00 0.00 O ATOM 541 CB GLN A 128 10.770 1.640 5.759 1.00 0.00 C ATOM 542 CG GLN A 128 9.274 1.769 6.055 1.00 0.00 C ATOM 543 CD GLN A 128 8.559 0.477 5.658 1.00 0.00 C ATOM 544 OE1 GLN A 128 7.279 0.506 5.407 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 9.171 -0.569 5.572 1.00 0.00 N flip ATOM 0 H GLN A 128 10.182 3.712 3.394 1.00 0.00 H new ATOM 0 HA GLN A 128 12.048 1.664 4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 128 11.108 0.627 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 128 11.337 2.312 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 128 9.119 1.971 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 128 8.856 2.612 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 128 10.172 -0.592 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 128 8.684 -1.424 5.304 1.00 0.00 H new ATOM 554 N GLY A 129 8.864 1.794 3.222 1.00 0.00 N ATOM 555 CA GLY A 129 7.842 1.128 2.366 1.00 0.00 C ATOM 556 C GLY A 129 6.502 1.850 2.520 1.00 0.00 C ATOM 557 O GLY A 129 6.165 2.336 3.583 1.00 0.00 O ATOM 0 H GLY A 129 8.574 2.681 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.159 1.144 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 129 7.739 0.081 2.652 1.00 0.00 H new ATOM 561 N MET A 130 5.731 1.922 1.468 1.00 0.00 N ATOM 562 CA MET A 130 4.410 2.607 1.559 1.00 0.00 C ATOM 563 C MET A 130 3.348 1.586 1.965 1.00 0.00 C ATOM 564 O MET A 130 2.932 0.763 1.174 1.00 0.00 O ATOM 565 CB MET A 130 4.048 3.211 0.198 1.00 0.00 C ATOM 566 CG MET A 130 5.325 3.617 -0.542 1.00 0.00 C ATOM 567 SD MET A 130 5.109 5.266 -1.255 1.00 0.00 S ATOM 568 CE MET A 130 5.359 6.203 0.273 1.00 0.00 C ATOM 0 H MET A 130 5.959 1.537 0.551 1.00 0.00 H new ATOM 0 HA MET A 130 4.459 3.404 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.487 2.488 -0.394 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.403 4.079 0.334 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.172 3.614 0.144 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.548 2.895 -1.328 1.00 0.00 H new ATOM 0 HE1 MET A 130 5.445 7.264 0.039 1.00 0.00 H new ATOM 0 HE2 MET A 130 4.511 6.046 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 130 6.272 5.864 0.762 1.00 0.00 H new ATOM 578 N LYS A 131 2.913 1.624 3.195 1.00 0.00 N ATOM 579 CA LYS A 131 1.889 0.642 3.650 1.00 0.00 C ATOM 580 C LYS A 131 0.488 1.192 3.409 1.00 0.00 C ATOM 581 O LYS A 131 0.143 2.269 3.851 1.00 0.00 O ATOM 582 CB LYS A 131 2.071 0.370 5.139 1.00 0.00 C ATOM 583 CG LYS A 131 1.366 -0.935 5.511 1.00 0.00 C ATOM 584 CD LYS A 131 1.314 -1.073 7.034 1.00 0.00 C ATOM 585 CE LYS A 131 0.324 -2.175 7.413 1.00 0.00 C ATOM 586 NZ LYS A 131 1.071 -3.372 7.894 1.00 0.00 N ATOM 0 H LYS A 131 3.222 2.291 3.903 1.00 0.00 H new ATOM 0 HA LYS A 131 2.013 -0.283 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.132 0.304 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.663 1.195 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.357 -0.945 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.895 -1.783 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.305 -1.310 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.013 -0.128 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.352 -1.819 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.290 -2.438 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.397 -4.121 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.699 -3.716 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.639 -3.115 8.727 1.00 0.00 H new ATOM 600 N CYS A 132 -0.325 0.448 2.721 1.00 0.00 N ATOM 601 CA CYS A 132 -1.714 0.910 2.452 1.00 0.00 C ATOM 602 C CYS A 132 -2.531 0.835 3.742 1.00 0.00 C ATOM 603 O CYS A 132 -2.679 -0.216 4.335 1.00 0.00 O ATOM 604 CB CYS A 132 -2.349 0.016 1.388 1.00 0.00 C ATOM 605 SG CYS A 132 -4.059 0.533 1.112 1.00 0.00 S ATOM 0 H CYS A 132 -0.089 -0.464 2.331 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.696 1.939 2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.783 0.080 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.319 -1.026 1.708 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.210 0.886 -0.130 1.00 0.00 H new ATOM 610 N SER A 133 -3.058 1.943 4.186 1.00 0.00 N ATOM 611 CA SER A 133 -3.861 1.937 5.444 1.00 0.00 C ATOM 612 C SER A 133 -5.312 1.557 5.132 1.00 0.00 C ATOM 613 O SER A 133 -6.241 2.124 5.673 1.00 0.00 O ATOM 614 CB SER A 133 -3.824 3.327 6.078 1.00 0.00 C ATOM 615 OG SER A 133 -4.937 4.084 5.619 1.00 0.00 O ATOM 0 H SER A 133 -2.968 2.852 3.733 1.00 0.00 H new ATOM 0 HA SER A 133 -3.439 1.208 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.849 3.244 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 133 -2.894 3.833 5.819 1.00 0.00 H new ATOM 0 HG SER A 133 -5.767 3.671 5.937 1.00 0.00 H new ATOM 621 N CYS A 134 -5.513 0.602 4.267 1.00 0.00 N ATOM 622 CA CYS A 134 -6.904 0.186 3.925 1.00 0.00 C ATOM 623 C CYS A 134 -6.913 -1.296 3.542 1.00 0.00 C ATOM 624 O CYS A 134 -7.825 -2.027 3.873 1.00 0.00 O ATOM 625 CB CYS A 134 -7.410 1.020 2.746 1.00 0.00 C ATOM 626 SG CYS A 134 -9.204 1.225 2.879 1.00 0.00 S ATOM 0 H CYS A 134 -4.775 0.091 3.782 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.553 0.343 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.921 1.994 2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.158 0.530 1.805 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.635 1.935 1.879 1.00 0.00 H new ATOM 632 N CYS A 135 -5.905 -1.742 2.844 1.00 0.00 N ATOM 633 CA CYS A 135 -5.855 -3.173 2.436 1.00 0.00 C ATOM 634 C CYS A 135 -4.531 -3.792 2.894 1.00 0.00 C ATOM 635 O CYS A 135 -4.321 -4.983 2.782 1.00 0.00 O ATOM 636 CB CYS A 135 -5.961 -3.268 0.911 1.00 0.00 C ATOM 637 SG CYS A 135 -4.439 -2.640 0.154 1.00 0.00 S ATOM 0 H CYS A 135 -5.113 -1.176 2.539 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.684 -3.712 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -6.127 -4.303 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.818 -2.693 0.560 1.00 0.00 H new ATOM 0 HG CYS A 135 -4.408 -1.344 0.253 1.00 0.00 H new ATOM 642 N GLU A 136 -3.633 -2.992 3.405 1.00 0.00 N ATOM 643 CA GLU A 136 -2.325 -3.537 3.863 1.00 0.00 C ATOM 644 C GLU A 136 -1.496 -3.937 2.642 1.00 0.00 C ATOM 645 O GLU A 136 -1.440 -5.091 2.267 1.00 0.00 O ATOM 646 CB GLU A 136 -2.559 -4.767 4.745 1.00 0.00 C ATOM 647 CG GLU A 136 -3.686 -4.477 5.740 1.00 0.00 C ATOM 648 CD GLU A 136 -4.363 -5.790 6.141 1.00 0.00 C ATOM 649 OE1 GLU A 136 -3.670 -6.661 6.641 1.00 0.00 O ATOM 650 OE2 GLU A 136 -5.561 -5.901 5.942 1.00 0.00 O ATOM 0 H GLU A 136 -3.750 -1.986 3.524 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.794 -2.779 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.818 -5.627 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.644 -5.023 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -3.287 -3.977 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -4.415 -3.801 5.293 1.00 0.00 H new ATOM 657 N MET A 137 -0.856 -2.991 2.013 1.00 0.00 N ATOM 658 CA MET A 137 -0.039 -3.317 0.811 1.00 0.00 C ATOM 659 C MET A 137 1.227 -2.457 0.800 1.00 0.00 C ATOM 660 O MET A 137 1.176 -1.261 0.591 1.00 0.00 O ATOM 661 CB MET A 137 -0.860 -3.032 -0.448 1.00 0.00 C ATOM 662 CG MET A 137 -0.437 -3.986 -1.567 1.00 0.00 C ATOM 663 SD MET A 137 -0.746 -3.205 -3.170 1.00 0.00 S ATOM 664 CE MET A 137 -1.071 -4.720 -4.105 1.00 0.00 C ATOM 0 H MET A 137 -0.863 -2.006 2.279 1.00 0.00 H new ATOM 0 HA MET A 137 0.242 -4.370 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.922 -3.153 -0.236 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.714 -1.999 -0.763 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.620 -4.234 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.992 -4.921 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.290 -4.467 -5.143 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.195 -5.367 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.925 -5.240 -3.670 1.00 0.00 H new ATOM 674 N ASN A 138 2.365 -3.057 1.024 1.00 0.00 N ATOM 675 CA ASN A 138 3.635 -2.276 1.025 1.00 0.00 C ATOM 676 C ASN A 138 4.228 -2.264 -0.386 1.00 0.00 C ATOM 677 O ASN A 138 4.717 -3.265 -0.871 1.00 0.00 O ATOM 678 CB ASN A 138 4.629 -2.921 1.992 1.00 0.00 C ATOM 679 CG ASN A 138 4.050 -2.904 3.407 1.00 0.00 C ATOM 680 OD1 ASN A 138 2.848 -2.933 3.583 1.00 0.00 O ATOM 681 ND2 ASN A 138 4.859 -2.857 4.429 1.00 0.00 N ATOM 0 H ASN A 138 2.470 -4.055 1.206 1.00 0.00 H new ATOM 0 HA ASN A 138 3.433 -1.253 1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.838 -3.946 1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.576 -2.382 1.969 1.00 0.00 H new ATOM 0 HD21 ASN A 138 4.483 -2.845 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.868 -2.833 4.280 1.00 0.00 H new ATOM 688 N VAL A 139 4.189 -1.142 -1.050 1.00 0.00 N ATOM 689 CA VAL A 139 4.750 -1.072 -2.430 1.00 0.00 C ATOM 690 C VAL A 139 5.838 0.001 -2.492 1.00 0.00 C ATOM 691 O VAL A 139 6.109 0.683 -1.522 1.00 0.00 O ATOM 692 CB VAL A 139 3.633 -0.719 -3.414 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.860 -1.985 -3.788 1.00 0.00 C ATOM 694 CG2 VAL A 139 2.679 0.285 -2.761 1.00 0.00 C ATOM 0 H VAL A 139 3.793 -0.270 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 139 5.181 -2.038 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 139 4.067 -0.280 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.065 -1.732 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.538 -2.702 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.426 -2.425 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.882 0.538 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.247 -0.155 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.228 1.188 -2.494 1.00 0.00 H new ATOM 704 N HIS A 140 6.463 0.159 -3.627 1.00 0.00 N ATOM 705 CA HIS A 140 7.532 1.190 -3.755 1.00 0.00 C ATOM 706 C HIS A 140 6.890 2.569 -3.903 1.00 0.00 C ATOM 707 O HIS A 140 5.683 2.701 -3.948 1.00 0.00 O ATOM 708 CB HIS A 140 8.385 0.895 -4.993 1.00 0.00 C ATOM 709 CG HIS A 140 9.425 -0.138 -4.658 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.298 -1.466 -5.036 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.617 -0.051 -3.983 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.388 -2.119 -4.588 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.223 -1.303 -3.940 1.00 0.00 N ATOM 0 H HIS A 140 6.279 -0.382 -4.472 1.00 0.00 H new ATOM 0 HA HIS A 140 8.162 1.170 -2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 140 7.752 0.538 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.866 1.809 -5.341 1.00 0.00 H new ATOM 0 HD1 HIS A 140 8.522 -1.874 -5.557 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.023 0.852 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.565 -3.174 -4.735 1.00 0.00 H new ATOM 720 N ARG A 141 7.687 3.600 -3.985 1.00 0.00 N ATOM 721 CA ARG A 141 7.120 4.968 -4.136 1.00 0.00 C ATOM 722 C ARG A 141 6.815 5.225 -5.613 1.00 0.00 C ATOM 723 O ARG A 141 5.965 6.025 -5.952 1.00 0.00 O ATOM 724 CB ARG A 141 8.133 6.001 -3.635 1.00 0.00 C ATOM 725 CG ARG A 141 7.555 6.740 -2.427 1.00 0.00 C ATOM 726 CD ARG A 141 8.438 7.942 -2.093 1.00 0.00 C ATOM 727 NE ARG A 141 8.251 8.999 -3.127 1.00 0.00 N ATOM 728 CZ ARG A 141 9.146 9.161 -4.063 1.00 0.00 C ATOM 729 NH1 ARG A 141 10.415 9.041 -3.779 1.00 0.00 N ATOM 730 NH2 ARG A 141 8.774 9.443 -5.281 1.00 0.00 N ATOM 0 H ARG A 141 8.705 3.553 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 141 6.203 5.051 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 141 9.066 5.508 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 141 8.369 6.709 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.539 7.071 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.497 6.069 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 141 8.182 8.332 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 141 9.484 7.638 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 141 7.424 9.595 -3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 141 10.706 8.821 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 141 11.115 9.167 -4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.783 9.537 -5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 141 9.474 9.569 -6.012 1.00 0.00 H new ATOM 744 N ARG A 142 7.499 4.547 -6.495 1.00 0.00 N ATOM 745 CA ARG A 142 7.244 4.747 -7.949 1.00 0.00 C ATOM 746 C ARG A 142 6.501 3.532 -8.508 1.00 0.00 C ATOM 747 O ARG A 142 6.255 3.436 -9.695 1.00 0.00 O ATOM 748 CB ARG A 142 8.576 4.914 -8.684 1.00 0.00 C ATOM 749 CG ARG A 142 9.541 3.806 -8.256 1.00 0.00 C ATOM 750 CD ARG A 142 10.636 3.649 -9.313 1.00 0.00 C ATOM 751 NE ARG A 142 11.872 3.119 -8.674 1.00 0.00 N ATOM 752 CZ ARG A 142 12.865 2.710 -9.414 1.00 0.00 C ATOM 753 NH1 ARG A 142 12.629 2.047 -10.514 1.00 0.00 N ATOM 754 NH2 ARG A 142 14.095 2.966 -9.057 1.00 0.00 N ATOM 0 H ARG A 142 8.223 3.864 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 142 6.637 5.641 -8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 142 8.416 4.874 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.006 5.891 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.985 4.048 -7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.002 2.867 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.302 2.973 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.841 4.610 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 142 11.942 3.076 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.668 1.849 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.405 1.727 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.279 3.486 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 142 14.871 2.646 -9.636 1.00 0.00 H new ATOM 768 N CYS A 143 6.137 2.603 -7.665 1.00 0.00 N ATOM 769 CA CYS A 143 5.407 1.399 -8.151 1.00 0.00 C ATOM 770 C CYS A 143 3.904 1.673 -8.116 1.00 0.00 C ATOM 771 O CYS A 143 3.124 0.999 -8.760 1.00 0.00 O ATOM 772 CB CYS A 143 5.728 0.206 -7.249 1.00 0.00 C ATOM 773 SG CYS A 143 7.163 -0.682 -7.905 1.00 0.00 S ATOM 0 H CYS A 143 6.314 2.627 -6.661 1.00 0.00 H new ATOM 0 HA CYS A 143 5.715 1.173 -9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.932 0.549 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.869 -0.462 -7.193 1.00 0.00 H new ATOM 0 HG CYS A 143 7.308 -1.805 -7.266 1.00 0.00 H new ATOM 778 N VAL A 144 3.490 2.662 -7.370 1.00 0.00 N ATOM 779 CA VAL A 144 2.037 2.983 -7.293 1.00 0.00 C ATOM 780 C VAL A 144 1.550 3.458 -8.663 1.00 0.00 C ATOM 781 O VAL A 144 0.404 3.280 -9.022 1.00 0.00 O ATOM 782 CB VAL A 144 1.813 4.091 -6.261 1.00 0.00 C ATOM 783 CG1 VAL A 144 0.327 4.170 -5.908 1.00 0.00 C ATOM 784 CG2 VAL A 144 2.619 3.779 -4.999 1.00 0.00 C ATOM 0 H VAL A 144 4.097 3.261 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 144 1.482 2.093 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 144 2.138 5.045 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.169 4.959 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.249 4.390 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.001 3.217 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 144 2.461 4.567 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.293 2.825 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 144 3.679 3.723 -5.249 1.00 0.00 H new ATOM 794 N ARG A 145 2.414 4.061 -9.433 1.00 0.00 N ATOM 795 CA ARG A 145 2.001 4.547 -10.780 1.00 0.00 C ATOM 796 C ARG A 145 1.647 3.351 -11.664 1.00 0.00 C ATOM 797 O ARG A 145 0.972 3.484 -12.666 1.00 0.00 O ATOM 798 CB ARG A 145 3.153 5.329 -11.416 1.00 0.00 C ATOM 799 CG ARG A 145 2.795 6.816 -11.467 1.00 0.00 C ATOM 800 CD ARG A 145 2.165 7.142 -12.822 1.00 0.00 C ATOM 801 NE ARG A 145 3.110 6.766 -13.911 1.00 0.00 N ATOM 802 CZ ARG A 145 2.653 6.451 -15.091 1.00 0.00 C ATOM 803 NH1 ARG A 145 2.294 7.391 -15.924 1.00 0.00 N ATOM 804 NH2 ARG A 145 2.554 5.198 -15.441 1.00 0.00 N ATOM 0 H ARG A 145 3.388 4.238 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 145 1.132 5.198 -10.682 1.00 0.00 H new ATOM 0 HB2 ARG A 145 4.067 5.184 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.348 4.956 -12.422 1.00 0.00 H new ATOM 0 HG2 ARG A 145 2.102 7.062 -10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 145 3.688 7.422 -11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 145 1.226 6.601 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.930 8.205 -12.880 1.00 0.00 H new ATOM 0 HE ARG A 145 4.114 6.755 -13.733 1.00 0.00 H new ATOM 0 HH11 ARG A 145 2.371 8.371 -15.651 1.00 0.00 H new ATOM 0 HH12 ARG A 145 1.936 7.145 -16.847 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.834 4.463 -14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 145 2.196 4.953 -16.364 1.00 0.00 H new ATOM 818 N SER A 146 2.097 2.184 -11.298 1.00 0.00 N ATOM 819 CA SER A 146 1.787 0.977 -12.113 1.00 0.00 C ATOM 820 C SER A 146 0.570 0.262 -11.520 1.00 0.00 C ATOM 821 O SER A 146 -0.099 -0.502 -12.185 1.00 0.00 O ATOM 822 CB SER A 146 2.988 0.032 -12.102 1.00 0.00 C ATOM 823 OG SER A 146 4.168 0.770 -12.394 1.00 0.00 O ATOM 0 H SER A 146 2.666 2.014 -10.469 1.00 0.00 H new ATOM 0 HA SER A 146 1.570 1.276 -13.138 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.078 -0.449 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 146 2.849 -0.760 -12.838 1.00 0.00 H new ATOM 0 HG SER A 146 4.941 0.168 -12.386 1.00 0.00 H new ATOM 829 N VAL A 147 0.280 0.508 -10.271 1.00 0.00 N ATOM 830 CA VAL A 147 -0.891 -0.156 -9.636 1.00 0.00 C ATOM 831 C VAL A 147 -2.181 0.533 -10.102 1.00 0.00 C ATOM 832 O VAL A 147 -2.372 1.706 -9.852 1.00 0.00 O ATOM 833 CB VAL A 147 -0.776 -0.035 -8.115 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.969 -0.729 -7.457 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.520 -0.700 -7.649 1.00 0.00 C ATOM 0 H VAL A 147 0.803 1.139 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.914 -1.208 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.767 1.018 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.888 -0.643 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.893 -0.257 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.978 -1.782 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 147 0.604 -0.615 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 147 0.510 -1.753 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.371 -0.207 -8.118 1.00 0.00 H new ATOM 845 N PRO A 148 -3.029 -0.213 -10.770 1.00 0.00 N ATOM 846 CA PRO A 148 -4.311 0.305 -11.280 1.00 0.00 C ATOM 847 C PRO A 148 -5.364 0.341 -10.165 1.00 0.00 C ATOM 848 O PRO A 148 -6.507 -0.016 -10.369 1.00 0.00 O ATOM 849 CB PRO A 148 -4.704 -0.711 -12.356 1.00 0.00 C ATOM 850 CG PRO A 148 -3.957 -2.022 -12.013 1.00 0.00 C ATOM 851 CD PRO A 148 -2.789 -1.637 -11.086 1.00 0.00 C ATOM 0 HA PRO A 148 -4.236 1.324 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.782 -0.869 -12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.426 -0.354 -13.348 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.624 -2.730 -11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.589 -2.506 -12.918 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.779 -2.249 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.827 -1.779 -11.578 1.00 0.00 H new ATOM 859 N SER A 149 -4.990 0.770 -8.989 1.00 0.00 N ATOM 860 CA SER A 149 -5.973 0.825 -7.871 1.00 0.00 C ATOM 861 C SER A 149 -6.443 -0.592 -7.535 1.00 0.00 C ATOM 862 O SER A 149 -7.603 -0.923 -7.682 1.00 0.00 O ATOM 863 CB SER A 149 -7.173 1.674 -8.289 1.00 0.00 C ATOM 864 OG SER A 149 -7.176 2.882 -7.542 1.00 0.00 O ATOM 0 H SER A 149 -4.048 1.084 -8.756 1.00 0.00 H new ATOM 0 HA SER A 149 -5.502 1.269 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 149 -7.124 1.893 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 149 -8.099 1.125 -8.118 1.00 0.00 H new ATOM 0 HG SER A 149 -7.944 3.430 -7.809 1.00 0.00 H new ATOM 870 N LEU A 150 -5.550 -1.431 -7.085 1.00 0.00 N ATOM 871 CA LEU A 150 -5.947 -2.826 -6.739 1.00 0.00 C ATOM 872 C LEU A 150 -6.385 -2.886 -5.275 1.00 0.00 C ATOM 873 O LEU A 150 -6.253 -3.899 -4.619 1.00 0.00 O ATOM 874 CB LEU A 150 -4.756 -3.762 -6.954 1.00 0.00 C ATOM 875 CG LEU A 150 -4.411 -3.814 -8.442 1.00 0.00 C ATOM 876 CD1 LEU A 150 -2.902 -4.010 -8.610 1.00 0.00 C ATOM 877 CD2 LEU A 150 -5.152 -4.982 -9.095 1.00 0.00 C ATOM 0 H LEU A 150 -4.564 -1.211 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 150 -6.774 -3.136 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -3.897 -3.411 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -4.995 -4.761 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.711 -2.880 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -2.656 -4.047 -9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -2.373 -3.179 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -2.601 -4.944 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.907 -5.020 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -4.851 -5.915 -8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.227 -4.844 -8.975 1.00 0.00 H new ATOM 889 N CYS A 151 -6.904 -1.808 -4.755 1.00 0.00 N ATOM 890 CA CYS A 151 -7.348 -1.807 -3.334 1.00 0.00 C ATOM 891 C CYS A 151 -8.736 -2.443 -3.236 1.00 0.00 C ATOM 892 O CYS A 151 -9.731 -1.766 -3.065 1.00 0.00 O ATOM 893 CB CYS A 151 -7.401 -0.367 -2.816 1.00 0.00 C ATOM 894 SG CYS A 151 -7.106 -0.358 -1.031 1.00 0.00 S ATOM 0 H CYS A 151 -7.040 -0.928 -5.253 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.644 -2.380 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -6.651 0.241 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.372 0.075 -3.037 1.00 0.00 H new ATOM 0 HG CYS A 151 -6.169 -1.212 -0.742 1.00 0.00 H new