USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 359 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 130 GLN : amide:sc= -1.78 X(o=-2.5,f=-2.1) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.683 K(o=-2.5,f=-5.5!) USER MOD Set 2.1: A 131 CYS SG : rot 4:sc= 0.258 USER MOD Set 2.2: A 136 CYS SG : rot 140:sc= 0.166 USER MOD Set 2.3: A 163 CYS SG : rot -127:sc= 0.17 USER MOD Set 2.4: A 166 CYS SG : rot 148:sc= 0.741 USER MOD Set 3.1: A 117 CYS SG : rot -90:sc= 0.126 USER MOD Set 3.2: A 119 CYS SG : rot -80:sc= -0.565 USER MOD Set 3.3: A 125 ASN : amide:sc= -3.38! C(o=-7!,f=-10!) USER MOD Set 3.4: A 128 MET CE :methyl 172:sc= -1.11 (180deg=-1.43!) USER MOD Set 3.5: A 141 HIS :FLIP no HE2:sc= -1.58 F(o=-9.2,f=-7) USER MOD Set 3.6: A 144 CYS SG : rot -170:sc= -0.479 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -64:sc= 0.968 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.464 K(o=0.46,f=-0.091) USER MOD Single : A 140 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 143 ASN :FLIP amide:sc= -0.119 F(o=-0.82,f=-0.12) USER MOD Single : A 162 TYR OH : rot 40:sc= 0.00709 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.390 11.713 -4.164 1.00 0.00 N ATOM 94 CA GLU A 112 -1.981 10.547 -4.810 1.00 0.00 C ATOM 95 C GLU A 112 -1.007 9.372 -4.809 1.00 0.00 C ATOM 96 O GLU A 112 -1.407 8.220 -4.970 1.00 0.00 O ATOM 97 CB GLU A 112 -2.390 10.883 -6.245 1.00 0.00 C ATOM 98 CG GLU A 112 -3.827 11.361 -6.372 1.00 0.00 C ATOM 99 CD GLU A 112 -3.924 12.829 -6.738 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.826 13.675 -5.825 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.097 13.132 -7.937 1.00 0.00 O ATOM 0 HA GLU A 112 -2.868 10.262 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.724 11.654 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.253 10.000 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.338 10.767 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.347 11.190 -5.429 1.00 0.00 H new ATOM 108 N ALA A 113 0.275 9.674 -4.628 1.00 0.00 N ATOM 109 CA ALA A 113 1.306 8.645 -4.605 1.00 0.00 C ATOM 110 C ALA A 113 2.066 8.658 -3.283 1.00 0.00 C ATOM 111 O ALA A 113 3.131 9.266 -3.173 1.00 0.00 O ATOM 112 CB ALA A 113 2.267 8.834 -5.770 1.00 0.00 C ATOM 0 H ALA A 113 0.624 10.623 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 113 0.818 7.675 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.032 8.058 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.718 8.766 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.740 9.813 -5.696 1.00 0.00 H new ATOM 118 N LYS A 114 1.512 7.984 -2.281 1.00 0.00 N ATOM 119 CA LYS A 114 2.136 7.917 -0.965 1.00 0.00 C ATOM 120 C LYS A 114 2.515 6.482 -0.615 1.00 0.00 C ATOM 121 O LYS A 114 1.649 5.648 -0.349 1.00 0.00 O ATOM 122 CB LYS A 114 1.193 8.482 0.099 1.00 0.00 C ATOM 123 CG LYS A 114 1.669 8.243 1.522 1.00 0.00 C ATOM 124 CD LYS A 114 1.212 9.351 2.456 1.00 0.00 C ATOM 125 CE LYS A 114 2.203 9.568 3.589 1.00 0.00 C ATOM 126 NZ LYS A 114 1.615 10.376 4.693 1.00 0.00 N ATOM 0 H LYS A 114 0.631 7.476 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 114 3.045 8.518 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.078 9.554 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.207 8.033 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.288 7.286 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.757 8.179 1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.093 10.277 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.235 9.101 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.527 8.603 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.090 10.070 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.322 10.502 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.329 11.307 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.783 9.885 5.078 1.00 0.00 H new ATOM 140 N VAL A 115 3.814 6.200 -0.616 1.00 0.00 N ATOM 141 CA VAL A 115 4.307 4.866 -0.295 1.00 0.00 C ATOM 142 C VAL A 115 4.371 4.651 1.213 1.00 0.00 C ATOM 143 O VAL A 115 5.258 5.173 1.887 1.00 0.00 O ATOM 144 CB VAL A 115 5.704 4.624 -0.897 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.107 3.165 -0.743 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.734 5.042 -2.359 1.00 0.00 C ATOM 0 H VAL A 115 4.544 6.878 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 115 3.604 4.156 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 115 6.425 5.235 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.097 3.013 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.128 2.903 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.385 2.532 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.729 4.864 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.002 4.460 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.493 6.102 -2.439 1.00 0.00 H new ATOM 156 N ARG A 116 3.423 3.879 1.735 1.00 0.00 N ATOM 157 CA ARG A 116 3.371 3.595 3.165 1.00 0.00 C ATOM 158 C ARG A 116 3.362 2.091 3.420 1.00 0.00 C ATOM 159 O ARG A 116 2.303 1.462 3.448 1.00 0.00 O ATOM 160 CB ARG A 116 2.131 4.237 3.789 1.00 0.00 C ATOM 161 CG ARG A 116 2.438 5.474 4.617 1.00 0.00 C ATOM 162 CD ARG A 116 2.329 5.188 6.107 1.00 0.00 C ATOM 163 NE ARG A 116 1.905 6.365 6.861 1.00 0.00 N ATOM 164 CZ ARG A 116 0.663 6.837 6.848 1.00 0.00 C ATOM 165 NH1 ARG A 116 -0.271 6.236 6.124 1.00 0.00 N ATOM 166 NH2 ARG A 116 0.354 7.913 7.561 1.00 0.00 N ATOM 0 H ARG A 116 2.681 3.439 1.190 1.00 0.00 H new ATOM 0 HA ARG A 116 4.262 4.019 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.433 4.505 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.630 3.503 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.443 5.828 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.748 6.274 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.618 4.378 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.294 4.846 6.482 1.00 0.00 H new ATOM 0 HE ARG A 116 2.600 6.851 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.037 5.409 5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.224 6.601 6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.070 8.378 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.600 8.275 7.551 1.00 0.00 H new ATOM 180 N CYS A 117 4.547 1.520 3.606 1.00 0.00 N ATOM 181 CA CYS A 117 4.676 0.090 3.858 1.00 0.00 C ATOM 182 C CYS A 117 5.051 -0.174 5.314 1.00 0.00 C ATOM 183 O CYS A 117 5.596 0.697 5.993 1.00 0.00 O ATOM 184 CB CYS A 117 5.730 -0.520 2.931 1.00 0.00 C ATOM 185 SG CYS A 117 5.673 -2.338 2.835 1.00 0.00 S ATOM 0 H CYS A 117 5.432 2.026 3.587 1.00 0.00 H new ATOM 0 HA CYS A 117 3.712 -0.377 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.599 -0.110 1.930 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.719 -0.216 3.273 1.00 0.00 H new ATOM 0 HG CYS A 117 6.444 -2.845 3.750 1.00 0.00 H new ATOM 190 N ILE A 118 4.754 -1.380 5.786 1.00 0.00 N ATOM 191 CA ILE A 118 5.060 -1.759 7.160 1.00 0.00 C ATOM 192 C ILE A 118 6.555 -1.644 7.441 1.00 0.00 C ATOM 193 O ILE A 118 6.974 -1.530 8.593 1.00 0.00 O ATOM 194 CB ILE A 118 4.601 -3.197 7.463 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.111 -4.157 6.386 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.084 -3.259 7.560 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.007 -5.614 6.777 1.00 0.00 C ATOM 0 H ILE A 118 4.302 -2.111 5.237 1.00 0.00 H new ATOM 0 HA ILE A 118 4.517 -1.070 7.806 1.00 0.00 H new ATOM 0 HB ILE A 118 5.020 -3.502 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.546 -3.994 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.152 -3.922 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.775 -4.282 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.743 -2.602 8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.646 -2.938 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.386 -6.236 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.595 -5.792 7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.964 -5.865 6.970 1.00 0.00 H new ATOM 209 N CYS A 119 7.355 -1.675 6.381 1.00 0.00 N ATOM 210 CA CYS A 119 8.803 -1.573 6.512 1.00 0.00 C ATOM 211 C CYS A 119 9.243 -0.113 6.575 1.00 0.00 C ATOM 212 O CYS A 119 10.424 0.183 6.753 1.00 0.00 O ATOM 213 CB CYS A 119 9.493 -2.275 5.340 1.00 0.00 C ATOM 214 SG CYS A 119 9.168 -1.509 3.720 1.00 0.00 S ATOM 0 H CYS A 119 7.024 -1.770 5.421 1.00 0.00 H new ATOM 0 HA CYS A 119 9.093 -2.062 7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.568 -2.283 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.167 -3.315 5.310 1.00 0.00 H new ATOM 0 HG CYS A 119 8.003 -1.890 3.286 1.00 0.00 H new ATOM 219 N SER A 120 8.283 0.795 6.427 1.00 0.00 N ATOM 220 CA SER A 120 8.571 2.224 6.463 1.00 0.00 C ATOM 221 C SER A 120 9.632 2.591 5.430 1.00 0.00 C ATOM 222 O SER A 120 10.471 3.460 5.667 1.00 0.00 O ATOM 223 CB SER A 120 9.039 2.636 7.860 1.00 0.00 C ATOM 224 OG SER A 120 10.430 2.420 8.017 1.00 0.00 O ATOM 0 H SER A 120 7.300 0.566 6.281 1.00 0.00 H new ATOM 0 HA SER A 120 7.653 2.761 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.810 3.688 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.492 2.067 8.612 1.00 0.00 H new ATOM 0 HG SER A 120 10.621 1.461 7.953 1.00 0.00 H new ATOM 230 N SER A 121 9.589 1.920 4.283 1.00 0.00 N ATOM 231 CA SER A 121 10.549 2.172 3.214 1.00 0.00 C ATOM 232 C SER A 121 9.834 2.535 1.916 1.00 0.00 C ATOM 233 O SER A 121 9.101 1.723 1.349 1.00 0.00 O ATOM 234 CB SER A 121 11.435 0.944 2.996 1.00 0.00 C ATOM 235 OG SER A 121 12.750 1.322 2.627 1.00 0.00 O ATOM 0 H SER A 121 8.900 1.198 4.070 1.00 0.00 H new ATOM 0 HA SER A 121 11.174 3.014 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.467 0.348 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.003 0.314 2.219 1.00 0.00 H new ATOM 0 HG SER A 121 13.296 0.519 2.495 1.00 0.00 H new ATOM 241 N THR A 122 10.052 3.760 1.450 1.00 0.00 N ATOM 242 CA THR A 122 9.429 4.232 0.220 1.00 0.00 C ATOM 243 C THR A 122 10.346 4.018 -0.978 1.00 0.00 C ATOM 244 O THR A 122 10.318 4.787 -1.939 1.00 0.00 O ATOM 245 CB THR A 122 9.065 5.726 0.313 1.00 0.00 C ATOM 246 OG1 THR A 122 10.256 6.521 0.329 1.00 0.00 O ATOM 247 CG2 THR A 122 8.245 6.007 1.563 1.00 0.00 C ATOM 0 H THR A 122 10.656 4.444 1.906 1.00 0.00 H new ATOM 0 HA THR A 122 8.517 3.651 0.084 1.00 0.00 H new ATOM 0 HB THR A 122 8.467 5.986 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.016 7.469 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.000 7.068 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.325 5.423 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.821 5.731 2.446 1.00 0.00 H new ATOM 255 N MET A 123 11.159 2.968 -0.916 1.00 0.00 N ATOM 256 CA MET A 123 12.083 2.652 -1.998 1.00 0.00 C ATOM 257 C MET A 123 11.410 1.777 -3.050 1.00 0.00 C ATOM 258 O MET A 123 10.235 1.430 -2.925 1.00 0.00 O ATOM 259 CB MET A 123 13.324 1.946 -1.448 1.00 0.00 C ATOM 260 CG MET A 123 14.584 2.794 -1.513 1.00 0.00 C ATOM 261 SD MET A 123 15.501 2.559 -3.048 1.00 0.00 S ATOM 262 CE MET A 123 16.616 1.238 -2.578 1.00 0.00 C ATOM 0 H MET A 123 11.196 2.322 -0.128 1.00 0.00 H new ATOM 0 HA MET A 123 12.385 3.588 -2.469 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.141 1.661 -0.412 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.486 1.025 -2.008 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.315 3.846 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 123 15.227 2.547 -0.668 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.251 0.979 -3.425 1.00 0.00 H new ATOM 0 HE2 MET A 123 17.238 1.566 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.038 0.364 -2.278 1.00 0.00 H new ATOM 272 N VAL A 124 12.162 1.422 -4.087 1.00 0.00 N ATOM 273 CA VAL A 124 11.637 0.586 -5.161 1.00 0.00 C ATOM 274 C VAL A 124 11.868 -0.893 -4.869 1.00 0.00 C ATOM 275 O VAL A 124 12.870 -1.470 -5.290 1.00 0.00 O ATOM 276 CB VAL A 124 12.284 0.938 -6.514 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.588 0.199 -7.647 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.250 2.441 -6.745 1.00 0.00 C ATOM 0 H VAL A 124 13.136 1.700 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 124 10.566 0.779 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 124 13.327 0.621 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.059 0.460 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.670 -0.876 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.536 0.482 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.711 2.672 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.216 2.786 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.799 2.944 -5.949 1.00 0.00 H new ATOM 288 N ASN A 125 10.934 -1.500 -4.145 1.00 0.00 N ATOM 289 CA ASN A 125 11.036 -2.913 -3.796 1.00 0.00 C ATOM 290 C ASN A 125 10.868 -3.792 -5.031 1.00 0.00 C ATOM 291 O ASN A 125 10.872 -3.301 -6.160 1.00 0.00 O ATOM 292 CB ASN A 125 9.981 -3.278 -2.749 1.00 0.00 C ATOM 293 CG ASN A 125 8.611 -3.500 -3.361 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.039 -2.598 -3.973 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.079 -4.706 -3.199 1.00 0.00 N ATOM 0 H ASN A 125 10.098 -1.037 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 125 12.028 -3.088 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.292 -4.181 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 125 9.920 -2.482 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.160 -4.915 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.589 -5.424 -2.684 1.00 0.00 H new ATOM 302 N ASP A 126 10.720 -5.093 -4.809 1.00 0.00 N ATOM 303 CA ASP A 126 10.548 -6.041 -5.904 1.00 0.00 C ATOM 304 C ASP A 126 9.319 -5.693 -6.737 1.00 0.00 C ATOM 305 O ASP A 126 9.332 -5.817 -7.962 1.00 0.00 O ATOM 306 CB ASP A 126 10.424 -7.465 -5.359 1.00 0.00 C ATOM 307 CG ASP A 126 11.764 -8.168 -5.265 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.515 -8.149 -6.263 1.00 0.00 O ATOM 309 OD2 ASP A 126 12.061 -8.737 -4.195 1.00 0.00 O ATOM 0 H ASP A 126 10.716 -5.516 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 126 11.427 -5.981 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.963 -7.434 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.759 -8.041 -6.003 1.00 0.00 H new ATOM 314 N SER A 127 8.258 -5.258 -6.064 1.00 0.00 N ATOM 315 CA SER A 127 7.019 -4.897 -6.742 1.00 0.00 C ATOM 316 C SER A 127 6.120 -4.071 -5.827 1.00 0.00 C ATOM 317 O SER A 127 5.801 -4.486 -4.713 1.00 0.00 O ATOM 318 CB SER A 127 6.279 -6.154 -7.203 1.00 0.00 C ATOM 319 OG SER A 127 5.420 -5.870 -8.294 1.00 0.00 O ATOM 0 H SER A 127 8.232 -5.147 -5.050 1.00 0.00 H new ATOM 0 HA SER A 127 7.274 -4.294 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.000 -6.918 -7.493 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.698 -6.562 -6.376 1.00 0.00 H new ATOM 0 HG SER A 127 4.960 -6.690 -8.571 1.00 0.00 H new ATOM 325 N MET A 128 5.715 -2.899 -6.306 1.00 0.00 N ATOM 326 CA MET A 128 4.852 -2.014 -5.532 1.00 0.00 C ATOM 327 C MET A 128 3.406 -2.111 -6.010 1.00 0.00 C ATOM 328 O MET A 128 3.140 -2.559 -7.125 1.00 0.00 O ATOM 329 CB MET A 128 5.341 -0.569 -5.638 1.00 0.00 C ATOM 330 CG MET A 128 6.773 -0.446 -6.134 1.00 0.00 C ATOM 331 SD MET A 128 7.503 1.159 -5.757 1.00 0.00 S ATOM 332 CE MET A 128 7.450 1.143 -3.967 1.00 0.00 C ATOM 0 H MET A 128 5.971 -2.540 -7.226 1.00 0.00 H new ATOM 0 HA MET A 128 4.893 -2.328 -4.489 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.683 -0.020 -6.312 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.262 -0.095 -4.660 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.379 -1.231 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 128 6.795 -0.607 -7.212 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.994 2.004 -3.579 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.413 1.189 -3.633 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.910 0.226 -3.598 1.00 0.00 H new ATOM 342 N ILE A 129 2.478 -1.689 -5.158 1.00 0.00 N ATOM 343 CA ILE A 129 1.060 -1.728 -5.495 1.00 0.00 C ATOM 344 C ILE A 129 0.297 -0.612 -4.789 1.00 0.00 C ATOM 345 O ILE A 129 0.479 -0.382 -3.594 1.00 0.00 O ATOM 346 CB ILE A 129 0.429 -3.082 -5.120 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.070 -3.073 -5.425 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.675 -3.392 -3.651 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.717 -4.436 -5.317 1.00 0.00 C ATOM 0 H ILE A 129 2.682 -1.317 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 129 0.988 -1.589 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 129 0.897 -3.863 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.568 -2.388 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.225 -2.685 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.223 -4.352 -3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.748 -3.436 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.231 -2.610 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.779 -4.354 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.245 -5.120 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.593 -4.818 -4.304 1.00 0.00 H new ATOM 361 N GLN A 130 -0.559 0.077 -5.537 1.00 0.00 N ATOM 362 CA GLN A 130 -1.351 1.168 -4.983 1.00 0.00 C ATOM 363 C GLN A 130 -2.656 0.647 -4.388 1.00 0.00 C ATOM 364 O GLN A 130 -3.295 -0.243 -4.950 1.00 0.00 O ATOM 365 CB GLN A 130 -1.650 2.210 -6.062 1.00 0.00 C ATOM 366 CG GLN A 130 -2.622 3.289 -5.614 1.00 0.00 C ATOM 367 CD GLN A 130 -2.311 4.643 -6.220 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.019 4.751 -7.411 1.00 0.00 O ATOM 369 NE2 GLN A 130 -2.372 5.686 -5.401 1.00 0.00 N ATOM 0 H GLN A 130 -0.721 -0.101 -6.528 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.771 1.635 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.716 2.680 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -2.058 1.706 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.635 2.996 -5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.596 3.367 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.618 5.551 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.173 6.623 -5.752 1.00 0.00 H new ATOM 378 N CYS A 131 -3.045 1.206 -3.247 1.00 0.00 N ATOM 379 CA CYS A 131 -4.273 0.798 -2.575 1.00 0.00 C ATOM 380 C CYS A 131 -5.469 0.900 -3.517 1.00 0.00 C ATOM 381 O CYS A 131 -5.482 1.724 -4.430 1.00 0.00 O ATOM 382 CB CYS A 131 -4.511 1.661 -1.335 1.00 0.00 C ATOM 383 SG CYS A 131 -5.919 1.122 -0.313 1.00 0.00 S ATOM 0 H CYS A 131 -2.527 1.943 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.162 -0.242 -2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.609 1.656 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.677 2.691 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.418 0.027 -0.805 1.00 0.00 H new ATOM 388 N GLU A 132 -6.470 0.057 -3.287 1.00 0.00 N ATOM 389 CA GLU A 132 -7.670 0.053 -4.115 1.00 0.00 C ATOM 390 C GLU A 132 -8.721 1.009 -3.556 1.00 0.00 C ATOM 391 O GLU A 132 -9.906 0.899 -3.873 1.00 0.00 O ATOM 392 CB GLU A 132 -8.249 -1.361 -4.207 1.00 0.00 C ATOM 393 CG GLU A 132 -7.891 -2.082 -5.496 1.00 0.00 C ATOM 394 CD GLU A 132 -9.100 -2.337 -6.376 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.035 -1.510 -6.355 1.00 0.00 O ATOM 396 OE2 GLU A 132 -9.109 -3.365 -7.085 1.00 0.00 O ATOM 0 H GLU A 132 -6.474 -0.632 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.392 0.390 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.890 -1.947 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.334 -1.307 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.162 -1.490 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.414 -3.032 -5.256 1.00 0.00 H new ATOM 403 N ASP A 133 -8.277 1.944 -2.724 1.00 0.00 N ATOM 404 CA ASP A 133 -9.178 2.920 -2.121 1.00 0.00 C ATOM 405 C ASP A 133 -8.822 4.335 -2.565 1.00 0.00 C ATOM 406 O ASP A 133 -7.776 4.867 -2.194 1.00 0.00 O ATOM 407 CB ASP A 133 -9.123 2.822 -0.596 1.00 0.00 C ATOM 408 CG ASP A 133 -10.234 3.605 0.076 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.209 3.962 -0.617 1.00 0.00 O ATOM 410 OD2 ASP A 133 -10.128 3.861 1.293 1.00 0.00 O ATOM 0 H ASP A 133 -7.299 2.047 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.191 2.698 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.190 1.775 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.159 3.191 -0.246 1.00 0.00 H new ATOM 415 N GLN A 134 -9.699 4.938 -3.362 1.00 0.00 N ATOM 416 CA GLN A 134 -9.475 6.290 -3.859 1.00 0.00 C ATOM 417 C GLN A 134 -9.329 7.276 -2.704 1.00 0.00 C ATOM 418 O GLN A 134 -8.742 8.347 -2.860 1.00 0.00 O ATOM 419 CB GLN A 134 -10.627 6.719 -4.769 1.00 0.00 C ATOM 420 CG GLN A 134 -10.564 8.181 -5.182 1.00 0.00 C ATOM 421 CD GLN A 134 -11.556 9.044 -4.428 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.723 9.145 -4.806 1.00 0.00 O ATOM 423 NE2 GLN A 134 -11.095 9.673 -3.353 1.00 0.00 N ATOM 0 H GLN A 134 -10.570 4.512 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.549 6.291 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.623 6.097 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.571 6.535 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.556 8.559 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.758 8.261 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.120 9.561 -3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.716 10.268 -2.805 1.00 0.00 H new ATOM 432 N ARG A 135 -9.868 6.908 -1.546 1.00 0.00 N ATOM 433 CA ARG A 135 -9.799 7.761 -0.366 1.00 0.00 C ATOM 434 C ARG A 135 -8.534 7.475 0.438 1.00 0.00 C ATOM 435 O ARG A 135 -8.378 7.955 1.561 1.00 0.00 O ATOM 436 CB ARG A 135 -11.033 7.552 0.513 1.00 0.00 C ATOM 437 CG ARG A 135 -12.235 8.378 0.083 1.00 0.00 C ATOM 438 CD ARG A 135 -13.528 7.589 0.213 1.00 0.00 C ATOM 439 NE ARG A 135 -14.513 8.285 1.036 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.660 7.741 1.428 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.963 6.500 1.075 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.505 8.439 2.176 1.00 0.00 N ATOM 0 H ARG A 135 -10.357 6.025 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.770 8.798 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.304 6.496 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.781 7.802 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.295 9.280 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.106 8.700 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.945 7.410 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.315 6.613 0.650 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.309 9.241 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.315 5.960 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.844 6.085 1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.274 9.394 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.385 8.021 2.477 1.00 0.00 H new ATOM 456 N CYS A 136 -7.634 6.690 -0.144 1.00 0.00 N ATOM 457 CA CYS A 136 -6.383 6.339 0.517 1.00 0.00 C ATOM 458 C CYS A 136 -5.188 6.652 -0.378 1.00 0.00 C ATOM 459 O CYS A 136 -4.319 7.445 -0.016 1.00 0.00 O ATOM 460 CB CYS A 136 -6.379 4.856 0.892 1.00 0.00 C ATOM 461 SG CYS A 136 -5.472 4.479 2.426 1.00 0.00 S ATOM 0 H CYS A 136 -7.748 6.285 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.301 6.937 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.409 4.517 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.939 4.286 0.073 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.124 3.584 3.107 1.00 0.00 H new ATOM 466 N GLN A 137 -5.152 6.023 -1.549 1.00 0.00 N ATOM 467 CA GLN A 137 -4.063 6.234 -2.496 1.00 0.00 C ATOM 468 C GLN A 137 -2.710 6.019 -1.826 1.00 0.00 C ATOM 469 O GLN A 137 -1.861 6.911 -1.818 1.00 0.00 O ATOM 470 CB GLN A 137 -4.136 7.644 -3.084 1.00 0.00 C ATOM 471 CG GLN A 137 -5.426 7.922 -3.839 1.00 0.00 C ATOM 472 CD GLN A 137 -5.262 7.792 -5.341 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.121 8.789 -6.050 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.279 6.559 -5.834 1.00 0.00 N ATOM 0 H GLN A 137 -5.864 5.364 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.169 5.507 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.033 8.371 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.292 7.792 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.197 7.230 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.773 8.928 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.398 5.762 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.173 6.409 -6.837 1.00 0.00 H new ATOM 483 N VAL A 138 -2.515 4.830 -1.264 1.00 0.00 N ATOM 484 CA VAL A 138 -1.265 4.498 -0.592 1.00 0.00 C ATOM 485 C VAL A 138 -0.593 3.295 -1.245 1.00 0.00 C ATOM 486 O VAL A 138 -1.187 2.222 -1.351 1.00 0.00 O ATOM 487 CB VAL A 138 -1.492 4.198 0.901 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.778 5.481 1.667 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.627 3.199 1.077 1.00 0.00 C ATOM 0 H VAL A 138 -3.207 4.081 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.615 5.368 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.582 3.756 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.936 5.249 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.931 6.160 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.672 5.955 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.774 2.998 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.544 3.612 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.377 2.271 0.563 1.00 0.00 H new ATOM 499 N TRP A 139 0.648 3.481 -1.679 1.00 0.00 N ATOM 500 CA TRP A 139 1.401 2.409 -2.321 1.00 0.00 C ATOM 501 C TRP A 139 2.127 1.558 -1.286 1.00 0.00 C ATOM 502 O TRP A 139 2.681 2.081 -0.319 1.00 0.00 O ATOM 503 CB TRP A 139 2.406 2.991 -3.318 1.00 0.00 C ATOM 504 CG TRP A 139 1.760 3.744 -4.441 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.895 4.795 -4.333 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.927 3.502 -5.842 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.514 5.221 -5.583 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.134 4.445 -6.525 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.671 2.582 -6.587 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.065 4.491 -7.915 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.601 2.629 -7.966 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.803 3.579 -8.619 1.00 0.00 C ATOM 0 H TRP A 139 1.154 4.363 -1.598 1.00 0.00 H new ATOM 0 HA TRP A 139 0.696 1.773 -2.856 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.088 3.656 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.007 2.181 -3.731 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.560 5.228 -3.402 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.127 5.990 -5.777 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.290 1.847 -6.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.450 5.221 -8.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.171 1.922 -8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.770 3.591 -9.698 1.00 0.00 H new ATOM 523 N GLN A 140 2.121 0.246 -1.495 1.00 0.00 N ATOM 524 CA GLN A 140 2.780 -0.677 -0.578 1.00 0.00 C ATOM 525 C GLN A 140 3.589 -1.719 -1.342 1.00 0.00 C ATOM 526 O GLN A 140 3.420 -1.888 -2.550 1.00 0.00 O ATOM 527 CB GLN A 140 1.747 -1.368 0.313 1.00 0.00 C ATOM 528 CG GLN A 140 1.060 -0.428 1.291 1.00 0.00 C ATOM 529 CD GLN A 140 0.712 -1.103 2.603 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.877 -2.314 2.754 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.228 -0.321 3.561 1.00 0.00 N ATOM 0 H GLN A 140 1.667 -0.202 -2.291 1.00 0.00 H new ATOM 0 HA GLN A 140 3.463 -0.102 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 140 0.992 -1.838 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.237 -2.165 0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.710 0.425 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.150 -0.037 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.108 0.678 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -0.024 -0.719 4.466 1.00 0.00 H new ATOM 540 N HIS A 141 4.469 -2.417 -0.631 1.00 0.00 N ATOM 541 CA HIS A 141 5.304 -3.444 -1.242 1.00 0.00 C ATOM 542 C HIS A 141 4.552 -4.768 -1.343 1.00 0.00 C ATOM 543 O HIS A 141 4.219 -5.383 -0.329 1.00 0.00 O ATOM 544 CB HIS A 141 6.589 -3.634 -0.435 1.00 0.00 C ATOM 545 CG HIS A 141 7.470 -2.424 -0.419 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.606 -1.415 -1.311 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.350 -2.147 0.607 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.554 -0.556 -0.813 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 8.987 -1.020 0.345 1.00 0.00 N flip ATOM 0 H HIS A 141 4.622 -2.290 0.369 1.00 0.00 H new ATOM 0 HA HIS A 141 5.562 -3.115 -2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.329 -3.898 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.147 -4.474 -0.848 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.098 -1.312 -2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.495 -2.756 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 141 8.891 0.352 -1.291 1.00 0.00 H new ATOM 557 N LEU A 142 4.286 -5.200 -2.571 1.00 0.00 N ATOM 558 CA LEU A 142 3.572 -6.450 -2.804 1.00 0.00 C ATOM 559 C LEU A 142 4.276 -7.616 -2.116 1.00 0.00 C ATOM 560 O LEU A 142 3.633 -8.473 -1.512 1.00 0.00 O ATOM 561 CB LEU A 142 3.457 -6.723 -4.305 1.00 0.00 C ATOM 562 CG LEU A 142 2.118 -6.366 -4.951 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.144 -6.678 -6.439 1.00 0.00 C ATOM 564 CD2 LEU A 142 0.980 -7.110 -4.267 1.00 0.00 C ATOM 0 H LEU A 142 4.554 -4.703 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 142 2.572 -6.353 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.244 -6.168 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.650 -7.782 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 142 1.951 -5.296 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.183 -6.418 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.933 -6.099 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.334 -7.741 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.035 -6.843 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.141 -8.184 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.948 -6.836 -3.213 1.00 0.00 H new ATOM 576 N ASN A 143 5.601 -7.639 -2.211 1.00 0.00 N ATOM 577 CA ASN A 143 6.393 -8.698 -1.597 1.00 0.00 C ATOM 578 C ASN A 143 6.247 -8.676 -0.079 1.00 0.00 C ATOM 579 O ASN A 143 6.479 -9.682 0.593 1.00 0.00 O ATOM 580 CB ASN A 143 7.867 -8.549 -1.980 1.00 0.00 C ATOM 581 CG ASN A 143 8.210 -9.292 -3.257 1.00 0.00 C ATOM 582 OD1 ASN A 143 7.810 -8.732 -4.393 1.00 0.00 O flip ATOM 583 ND2 ASN A 143 8.828 -10.356 -3.222 1.00 0.00 N flip ATOM 0 H ASN A 143 6.149 -6.936 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 143 6.023 -9.654 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.103 -7.492 -2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.490 -8.922 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 143 9.116 -10.749 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 143 9.052 -10.844 -4.089 1.00 0.00 H new ATOM 590 N CYS A 144 5.859 -7.523 0.456 1.00 0.00 N ATOM 591 CA CYS A 144 5.680 -7.369 1.895 1.00 0.00 C ATOM 592 C CYS A 144 4.266 -7.759 2.312 1.00 0.00 C ATOM 593 O CYS A 144 4.049 -8.265 3.414 1.00 0.00 O ATOM 594 CB CYS A 144 5.968 -5.925 2.313 1.00 0.00 C ATOM 595 SG CYS A 144 7.737 -5.492 2.324 1.00 0.00 S ATOM 0 H CYS A 144 5.662 -6.681 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 144 6.383 -8.033 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.444 -5.251 1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.558 -5.758 3.309 1.00 0.00 H new ATOM 0 HG CYS A 144 7.896 -4.330 2.886 1.00 0.00 H new ATOM 600 N VAL A 145 3.306 -7.521 1.424 1.00 0.00 N ATOM 601 CA VAL A 145 1.912 -7.849 1.699 1.00 0.00 C ATOM 602 C VAL A 145 1.500 -9.136 0.994 1.00 0.00 C ATOM 603 O VAL A 145 0.313 -9.446 0.886 1.00 0.00 O ATOM 604 CB VAL A 145 0.971 -6.712 1.259 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.110 -5.514 2.186 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.252 -6.316 -0.183 1.00 0.00 C ATOM 0 H VAL A 145 3.468 -7.102 0.508 1.00 0.00 H new ATOM 0 HA VAL A 145 1.826 -7.986 2.777 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.057 -7.071 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.437 -4.721 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.855 -5.810 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.138 -5.152 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.578 -5.511 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.284 -5.976 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.096 -7.176 -0.834 1.00 0.00 H new ATOM 616 N LEU A 146 2.489 -9.883 0.514 1.00 0.00 N ATOM 617 CA LEU A 146 2.230 -11.139 -0.181 1.00 0.00 C ATOM 618 C LEU A 146 2.324 -12.322 0.777 1.00 0.00 C ATOM 619 O LEU A 146 3.390 -12.608 1.323 1.00 0.00 O ATOM 620 CB LEU A 146 3.221 -11.321 -1.332 1.00 0.00 C ATOM 621 CG LEU A 146 2.674 -11.065 -2.737 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.812 -10.906 -3.733 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.745 -12.194 -3.160 1.00 0.00 C ATOM 0 H LEU A 146 3.477 -9.641 0.593 1.00 0.00 H new ATOM 0 HA LEU A 146 1.218 -11.101 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.066 -10.653 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.607 -12.340 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 146 2.102 -10.137 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.403 -10.725 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.438 -10.063 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.412 -11.816 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.365 -11.996 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.293 -13.136 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.911 -12.260 -2.462 1.00 0.00 H new ATOM 759 N GLU A 156 0.564 -15.210 -3.037 1.00 0.00 N ATOM 760 CA GLU A 156 -0.682 -14.968 -3.755 1.00 0.00 C ATOM 761 C GLU A 156 -0.901 -13.474 -3.975 1.00 0.00 C ATOM 762 O GLU A 156 -1.062 -12.711 -3.022 1.00 0.00 O ATOM 763 CB GLU A 156 -1.864 -15.560 -2.985 1.00 0.00 C ATOM 764 CG GLU A 156 -3.218 -15.162 -3.548 1.00 0.00 C ATOM 765 CD GLU A 156 -4.295 -16.188 -3.256 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.218 -17.305 -3.809 1.00 0.00 O ATOM 767 OE2 GLU A 156 -5.216 -15.874 -2.472 1.00 0.00 O ATOM 0 HA GLU A 156 -0.612 -15.455 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.783 -16.647 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.805 -15.242 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.514 -14.201 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.133 -15.026 -4.626 1.00 0.00 H new ATOM 774 N VAL A 157 -0.904 -13.062 -5.239 1.00 0.00 N ATOM 775 CA VAL A 157 -1.104 -11.660 -5.586 1.00 0.00 C ATOM 776 C VAL A 157 -2.522 -11.414 -6.087 1.00 0.00 C ATOM 777 O VAL A 157 -2.834 -11.606 -7.263 1.00 0.00 O ATOM 778 CB VAL A 157 -0.104 -11.201 -6.664 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.254 -9.711 -6.931 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.320 -11.535 -6.245 1.00 0.00 C ATOM 0 H VAL A 157 -0.770 -13.680 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.938 -11.082 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.322 -11.735 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.460 -9.405 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.267 -9.503 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.063 -9.156 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 157 2.014 -11.204 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.552 -11.029 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.416 -12.612 -6.109 1.00 0.00 H new ATOM 790 N PRO A 158 -3.405 -10.979 -5.176 1.00 0.00 N ATOM 791 CA PRO A 158 -4.806 -10.697 -5.502 1.00 0.00 C ATOM 792 C PRO A 158 -4.958 -9.461 -6.383 1.00 0.00 C ATOM 793 O PRO A 158 -4.062 -8.622 -6.476 1.00 0.00 O ATOM 794 CB PRO A 158 -5.448 -10.460 -4.133 1.00 0.00 C ATOM 795 CG PRO A 158 -4.327 -10.010 -3.261 1.00 0.00 C ATOM 796 CD PRO A 158 -3.103 -10.729 -3.756 1.00 0.00 C ATOM 0 HA PRO A 158 -5.264 -11.508 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.233 -9.706 -4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.908 -11.370 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.196 -8.930 -3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.525 -10.250 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.205 -10.123 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.935 -11.658 -3.211 1.00 0.00 H new ATOM 804 N PRO A 159 -6.119 -9.344 -7.044 1.00 0.00 N ATOM 805 CA PRO A 159 -6.416 -8.213 -7.928 1.00 0.00 C ATOM 806 C PRO A 159 -6.611 -6.911 -7.158 1.00 0.00 C ATOM 807 O PRO A 159 -6.092 -5.865 -7.548 1.00 0.00 O ATOM 808 CB PRO A 159 -7.721 -8.630 -8.611 1.00 0.00 C ATOM 809 CG PRO A 159 -8.360 -9.582 -7.659 1.00 0.00 C ATOM 810 CD PRO A 159 -7.232 -10.307 -6.979 1.00 0.00 C ATOM 0 HA PRO A 159 -5.600 -8.013 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.362 -7.769 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.530 -9.102 -9.575 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.977 -9.053 -6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.012 -10.280 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.482 -10.563 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.988 -11.239 -7.489 1.00 0.00 H new ATOM 818 N VAL A 160 -7.361 -6.983 -6.063 1.00 0.00 N ATOM 819 CA VAL A 160 -7.622 -5.810 -5.237 1.00 0.00 C ATOM 820 C VAL A 160 -6.806 -5.851 -3.950 1.00 0.00 C ATOM 821 O VAL A 160 -6.861 -6.825 -3.199 1.00 0.00 O ATOM 822 CB VAL A 160 -9.116 -5.695 -4.882 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.631 -7.006 -4.308 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.345 -4.551 -3.907 1.00 0.00 C ATOM 0 H VAL A 160 -7.799 -7.841 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.327 -4.939 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.673 -5.482 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.688 -6.906 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -9.503 -7.800 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -9.071 -7.253 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.406 -4.484 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -8.777 -4.732 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.016 -3.616 -4.360 1.00 0.00 H new ATOM 834 N PHE A 161 -6.051 -4.787 -3.700 1.00 0.00 N ATOM 835 CA PHE A 161 -5.223 -4.701 -2.503 1.00 0.00 C ATOM 836 C PHE A 161 -5.644 -3.520 -1.633 1.00 0.00 C ATOM 837 O PHE A 161 -5.975 -2.448 -2.141 1.00 0.00 O ATOM 838 CB PHE A 161 -3.748 -4.566 -2.886 1.00 0.00 C ATOM 839 CG PHE A 161 -2.882 -4.062 -1.767 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.322 -4.942 -0.855 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.626 -2.707 -1.628 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.526 -4.481 0.175 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.830 -2.239 -0.599 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.278 -3.128 0.303 1.00 0.00 C ATOM 0 H PHE A 161 -5.995 -3.972 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.360 -5.618 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.376 -5.537 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.662 -3.888 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.510 -6.001 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.053 -2.008 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.098 -5.178 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.640 -1.180 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.654 -2.766 1.107 1.00 0.00 H new ATOM 854 N TYR A 162 -5.630 -3.725 -0.321 1.00 0.00 N ATOM 855 CA TYR A 162 -6.014 -2.679 0.620 1.00 0.00 C ATOM 856 C TYR A 162 -5.011 -2.582 1.765 1.00 0.00 C ATOM 857 O TYR A 162 -4.721 -3.571 2.438 1.00 0.00 O ATOM 858 CB TYR A 162 -7.413 -2.951 1.175 1.00 0.00 C ATOM 859 CG TYR A 162 -8.526 -2.565 0.227 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.752 -1.235 -0.106 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.352 -3.531 -0.336 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.768 -0.878 -0.971 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.369 -3.183 -1.203 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.573 -1.855 -1.518 1.00 0.00 C ATOM 865 OH TYR A 162 -11.587 -1.504 -2.380 1.00 0.00 O ATOM 0 H TYR A 162 -5.357 -4.606 0.115 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.021 -1.729 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.501 -4.011 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.537 -2.404 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.122 -0.467 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.196 -4.571 -0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.931 0.161 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.001 -3.946 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 162 -11.279 -0.786 -2.972 1.00 0.00 H new ATOM 875 N CYS A 163 -4.484 -1.381 1.981 1.00 0.00 N ATOM 876 CA CYS A 163 -3.513 -1.151 3.044 1.00 0.00 C ATOM 877 C CYS A 163 -4.090 -1.541 4.401 1.00 0.00 C ATOM 878 O CYS A 163 -5.203 -2.060 4.487 1.00 0.00 O ATOM 879 CB CYS A 163 -3.084 0.317 3.062 1.00 0.00 C ATOM 880 SG CYS A 163 -4.310 1.441 3.806 1.00 0.00 S ATOM 0 H CYS A 163 -4.714 -0.552 1.433 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.641 -1.775 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.147 0.404 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -2.885 0.639 2.040 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.558 2.418 2.985 1.00 0.00 H new ATOM 885 N GLU A 164 -3.325 -1.288 5.459 1.00 0.00 N ATOM 886 CA GLU A 164 -3.761 -1.613 6.812 1.00 0.00 C ATOM 887 C GLU A 164 -5.019 -0.833 7.180 1.00 0.00 C ATOM 888 O GLU A 164 -5.980 -1.395 7.707 1.00 0.00 O ATOM 889 CB GLU A 164 -2.647 -1.310 7.816 1.00 0.00 C ATOM 890 CG GLU A 164 -2.131 0.117 7.741 1.00 0.00 C ATOM 891 CD GLU A 164 -0.878 0.329 8.568 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.643 -0.466 9.503 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.132 1.288 8.281 1.00 0.00 O ATOM 0 H GLU A 164 -2.401 -0.859 5.405 1.00 0.00 H new ATOM 0 HA GLU A 164 -3.992 -2.678 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.016 -1.501 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.818 -1.997 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -1.923 0.370 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.909 0.799 8.085 1.00 0.00 H new ATOM 900 N LEU A 165 -5.006 0.466 6.900 1.00 0.00 N ATOM 901 CA LEU A 165 -6.146 1.325 7.202 1.00 0.00 C ATOM 902 C LEU A 165 -7.433 0.747 6.622 1.00 0.00 C ATOM 903 O LEU A 165 -8.382 0.461 7.352 1.00 0.00 O ATOM 904 CB LEU A 165 -5.910 2.732 6.649 1.00 0.00 C ATOM 905 CG LEU A 165 -4.531 3.336 6.917 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.463 4.763 6.396 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.211 3.294 8.404 1.00 0.00 C ATOM 0 H LEU A 165 -4.219 0.947 6.465 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.251 1.380 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.071 2.709 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.664 3.397 7.070 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.786 2.742 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.474 5.176 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.648 4.767 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.218 5.369 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.226 3.728 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -4.960 3.864 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.217 2.260 8.748 1.00 0.00 H new ATOM 919 N CYS A 166 -7.456 0.576 5.304 1.00 0.00 N ATOM 920 CA CYS A 166 -8.625 0.030 4.625 1.00 0.00 C ATOM 921 C CYS A 166 -8.895 -1.403 5.073 1.00 0.00 C ATOM 922 O CYS A 166 -10.047 -1.810 5.227 1.00 0.00 O ATOM 923 CB CYS A 166 -8.426 0.073 3.108 1.00 0.00 C ATOM 924 SG CYS A 166 -8.112 1.741 2.447 1.00 0.00 S ATOM 0 H CYS A 166 -6.679 0.808 4.686 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.487 0.643 4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.590 -0.574 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.312 -0.337 2.624 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.331 1.657 1.411 1.00 0.00 H new ATOM 929 N ARG A 167 -7.825 -2.164 5.281 1.00 0.00 N ATOM 930 CA ARG A 167 -7.946 -3.552 5.711 1.00 0.00 C ATOM 931 C ARG A 167 -8.805 -3.659 6.967 1.00 0.00 C ATOM 932 O ARG A 167 -9.792 -4.395 6.996 1.00 0.00 O ATOM 933 CB ARG A 167 -6.562 -4.149 5.974 1.00 0.00 C ATOM 934 CG ARG A 167 -5.973 -4.873 4.774 1.00 0.00 C ATOM 935 CD ARG A 167 -5.785 -6.355 5.055 1.00 0.00 C ATOM 936 NE ARG A 167 -4.455 -6.647 5.583 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.062 -7.860 5.957 1.00 0.00 C ATOM 938 NH1 ARG A 167 -4.894 -8.888 5.860 1.00 0.00 N ATOM 939 NH2 ARG A 167 -2.836 -8.047 6.427 1.00 0.00 N ATOM 0 H ARG A 167 -6.865 -1.843 5.159 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.430 -4.113 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -5.883 -3.352 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.629 -4.845 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.629 -4.745 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.014 -4.426 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.539 -6.687 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -5.943 -6.921 4.137 1.00 0.00 H new ATOM 0 HE ARG A 167 -3.791 -5.877 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -5.837 -8.748 5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.591 -9.818 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.193 -7.259 6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.536 -8.979 6.714 1.00 0.00 H new