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 :FLIP amide:sc= -1.54 F(o=-3,f=-2.2) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.693 K(o=-2.2,f=-5!) USER MOD Set 2.1: A 131 CYS SG : rot 1:sc= -0.223 USER MOD Set 2.2: A 136 CYS SG : rot 145:sc= 1.06 USER MOD Set 2.3: A 163 CYS SG : rot -125:sc= -0.0763 USER MOD Set 2.4: A 166 CYS SG : rot 148:sc= 1.16 USER MOD Set 3.1: A 117 CYS SG : rot -86:sc= 0.425 USER MOD Set 3.2: A 119 CYS SG : rot -79:sc= -0.468 USER MOD Set 3.3: A 125 ASN : amide:sc= -3.82! C(o=-6.5!,f=-9!) USER MOD Set 3.4: A 128 MET CE :methyl 168:sc= -0.804 (180deg=-1.46!) USER MOD Set 3.5: A 141 HIS :FLIP no HE2:sc= -1.41 F(o=-9.6,f=-6.5) USER MOD Set 3.6: A 144 CYS SG : rot 175:sc= -0.459 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -63:sc= 0.973 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 X(o=0,f=0) USER MOD Single : A 140 GLN : amide:sc= -0.897 K(o=-0.9,f=-2.6!) USER MOD Single : A 143 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.097) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.644 11.514 -3.923 1.00 0.00 N ATOM 94 CA GLU A 112 -2.097 10.442 -4.803 1.00 0.00 C ATOM 95 C GLU A 112 -1.069 9.316 -4.863 1.00 0.00 C ATOM 96 O GLU A 112 -1.397 8.179 -5.200 1.00 0.00 O ATOM 97 CB GLU A 112 -2.359 10.984 -6.210 1.00 0.00 C ATOM 98 CG GLU A 112 -3.791 11.443 -6.428 1.00 0.00 C ATOM 99 CD GLU A 112 -3.878 12.886 -6.886 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.621 13.146 -8.080 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.203 13.754 -6.050 1.00 0.00 O ATOM 0 HA GLU A 112 -3.026 10.041 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.686 11.820 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.119 10.210 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.265 10.801 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.351 11.326 -5.500 1.00 0.00 H new ATOM 108 N ALA A 113 0.176 9.642 -4.532 1.00 0.00 N ATOM 109 CA ALA A 113 1.253 8.659 -4.547 1.00 0.00 C ATOM 110 C ALA A 113 2.029 8.675 -3.235 1.00 0.00 C ATOM 111 O ALA A 113 3.087 9.297 -3.135 1.00 0.00 O ATOM 112 CB ALA A 113 2.188 8.917 -5.719 1.00 0.00 C ATOM 0 H ALA A 113 0.464 10.579 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 113 0.808 7.671 -4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.987 8.175 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.630 8.846 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.618 9.914 -5.628 1.00 0.00 H new ATOM 118 N LYS A 114 1.497 7.989 -2.229 1.00 0.00 N ATOM 119 CA LYS A 114 2.140 7.923 -0.922 1.00 0.00 C ATOM 120 C LYS A 114 2.541 6.491 -0.584 1.00 0.00 C ATOM 121 O LYS A 114 1.689 5.647 -0.305 1.00 0.00 O ATOM 122 CB LYS A 114 1.203 8.471 0.158 1.00 0.00 C ATOM 123 CG LYS A 114 1.699 8.228 1.573 1.00 0.00 C ATOM 124 CD LYS A 114 0.973 9.108 2.576 1.00 0.00 C ATOM 125 CE LYS A 114 1.737 9.205 3.888 1.00 0.00 C ATOM 126 NZ LYS A 114 0.833 9.094 5.066 1.00 0.00 N ATOM 0 H LYS A 114 0.621 7.470 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 114 3.042 8.535 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.074 9.543 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.221 8.012 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.555 7.180 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.770 8.425 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.839 10.105 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.022 8.705 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.487 8.416 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.271 10.155 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.392 9.165 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.132 9.862 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.342 8.177 5.042 1.00 0.00 H new ATOM 140 N VAL A 115 3.843 6.224 -0.609 1.00 0.00 N ATOM 141 CA VAL A 115 4.356 4.894 -0.303 1.00 0.00 C ATOM 142 C VAL A 115 4.465 4.681 1.203 1.00 0.00 C ATOM 143 O VAL A 115 5.363 5.218 1.853 1.00 0.00 O ATOM 144 CB VAL A 115 5.738 4.665 -0.944 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.160 3.211 -0.798 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.721 5.079 -2.408 1.00 0.00 C ATOM 0 H VAL A 115 4.561 6.911 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 115 3.648 4.177 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 115 6.468 5.284 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.138 3.068 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.214 2.952 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.431 2.569 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.705 4.911 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.979 4.487 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.466 6.136 -2.484 1.00 0.00 H new ATOM 156 N ARG A 116 3.546 3.894 1.751 1.00 0.00 N ATOM 157 CA ARG A 116 3.538 3.610 3.181 1.00 0.00 C ATOM 158 C ARG A 116 3.520 2.105 3.437 1.00 0.00 C ATOM 159 O ARG A 116 2.456 1.489 3.501 1.00 0.00 O ATOM 160 CB ARG A 116 2.327 4.265 3.847 1.00 0.00 C ATOM 161 CG ARG A 116 2.644 5.592 4.518 1.00 0.00 C ATOM 162 CD ARG A 116 2.731 5.445 6.029 1.00 0.00 C ATOM 163 NE ARG A 116 2.908 6.732 6.695 1.00 0.00 N ATOM 164 CZ ARG A 116 2.956 6.877 8.014 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.841 5.819 8.805 1.00 0.00 N ATOM 166 NH2 ARG A 116 3.119 8.081 8.546 1.00 0.00 N ATOM 0 H ARG A 116 2.797 3.441 1.227 1.00 0.00 H new ATOM 0 HA ARG A 116 4.449 4.024 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.552 4.423 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.917 3.581 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.588 5.979 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.874 6.322 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.824 4.967 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.564 4.788 6.282 1.00 0.00 H new ATOM 0 HE ARG A 116 3.000 7.566 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.715 4.891 8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.878 5.933 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 116 3.208 8.898 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.156 8.190 9.559 1.00 0.00 H new ATOM 180 N CYS A 117 4.704 1.520 3.580 1.00 0.00 N ATOM 181 CA CYS A 117 4.826 0.089 3.827 1.00 0.00 C ATOM 182 C CYS A 117 5.227 -0.181 5.275 1.00 0.00 C ATOM 183 O CYS A 117 5.787 0.686 5.946 1.00 0.00 O ATOM 184 CB CYS A 117 5.854 -0.529 2.878 1.00 0.00 C ATOM 185 SG CYS A 117 5.757 -2.343 2.754 1.00 0.00 S ATOM 0 H CYS A 117 5.594 2.016 3.529 1.00 0.00 H new ATOM 0 HA CYS A 117 3.854 -0.369 3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.719 -0.100 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.854 -0.252 3.212 1.00 0.00 H new ATOM 0 HG CYS A 117 6.461 -2.881 3.705 1.00 0.00 H new ATOM 190 N ILE A 118 4.938 -1.389 5.748 1.00 0.00 N ATOM 191 CA ILE A 118 5.270 -1.773 7.114 1.00 0.00 C ATOM 192 C ILE A 118 6.770 -1.669 7.365 1.00 0.00 C ATOM 193 O ILE A 118 7.213 -1.558 8.508 1.00 0.00 O ATOM 194 CB ILE A 118 4.807 -3.210 7.423 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.466 -4.199 6.459 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.292 -3.308 7.338 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.290 -5.645 6.864 1.00 0.00 C ATOM 0 H ILE A 118 4.475 -2.118 5.205 1.00 0.00 H new ATOM 0 HA ILE A 118 4.745 -1.081 7.773 1.00 0.00 H new ATOM 0 HB ILE A 118 5.111 -3.464 8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 118 5.048 -4.056 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.531 -3.975 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.980 -4.329 7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.842 -2.627 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.966 -3.038 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.782 -6.289 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.733 -5.804 7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.228 -5.886 6.902 1.00 0.00 H new ATOM 209 N CYS A 119 7.549 -1.705 6.289 1.00 0.00 N ATOM 210 CA CYS A 119 9.000 -1.613 6.390 1.00 0.00 C ATOM 211 C CYS A 119 9.451 -0.156 6.440 1.00 0.00 C ATOM 212 O CYS A 119 10.639 0.132 6.582 1.00 0.00 O ATOM 213 CB CYS A 119 9.661 -2.323 5.207 1.00 0.00 C ATOM 214 SG CYS A 119 9.286 -1.577 3.588 1.00 0.00 S ATOM 0 H CYS A 119 7.198 -1.797 5.336 1.00 0.00 H new ATOM 0 HA CYS A 119 9.306 -2.101 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.741 -2.322 5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.341 -3.365 5.198 1.00 0.00 H new ATOM 0 HG CYS A 119 8.104 -1.954 3.200 1.00 0.00 H new ATOM 219 N SER A 120 8.493 0.758 6.322 1.00 0.00 N ATOM 220 CA SER A 120 8.792 2.185 6.349 1.00 0.00 C ATOM 221 C SER A 120 9.839 2.542 5.299 1.00 0.00 C ATOM 222 O SER A 120 10.696 3.396 5.525 1.00 0.00 O ATOM 223 CB SER A 120 9.284 2.598 7.737 1.00 0.00 C ATOM 224 OG SER A 120 10.673 2.354 7.880 1.00 0.00 O ATOM 0 H SER A 120 7.504 0.536 6.207 1.00 0.00 H new ATOM 0 HA SER A 120 7.875 2.727 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.079 3.656 7.899 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.734 2.047 8.500 1.00 0.00 H new ATOM 0 HG SER A 120 10.846 1.393 7.800 1.00 0.00 H new ATOM 230 N SER A 121 9.764 1.880 4.148 1.00 0.00 N ATOM 231 CA SER A 121 10.707 2.123 3.063 1.00 0.00 C ATOM 232 C SER A 121 9.972 2.469 1.772 1.00 0.00 C ATOM 233 O SER A 121 9.239 1.647 1.221 1.00 0.00 O ATOM 234 CB SER A 121 11.594 0.896 2.846 1.00 0.00 C ATOM 235 OG SER A 121 12.900 1.275 2.447 1.00 0.00 O ATOM 0 H SER A 121 9.060 1.171 3.943 1.00 0.00 H new ATOM 0 HA SER A 121 11.334 2.970 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.646 0.314 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.151 0.253 2.086 1.00 0.00 H new ATOM 0 HG SER A 121 13.448 0.473 2.316 1.00 0.00 H new ATOM 241 N THR A 122 10.173 3.693 1.293 1.00 0.00 N ATOM 242 CA THR A 122 9.530 4.149 0.068 1.00 0.00 C ATOM 243 C THR A 122 10.436 3.939 -1.140 1.00 0.00 C ATOM 244 O THR A 122 10.388 4.704 -2.103 1.00 0.00 O ATOM 245 CB THR A 122 9.147 5.639 0.156 1.00 0.00 C ATOM 246 OG1 THR A 122 10.329 6.446 0.198 1.00 0.00 O ATOM 247 CG2 THR A 122 8.298 5.908 1.389 1.00 0.00 C ATOM 0 H THR A 122 10.776 4.386 1.736 1.00 0.00 H new ATOM 0 HA THR A 122 8.624 3.555 -0.054 1.00 0.00 H new ATOM 0 HB THR A 122 8.564 5.895 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.078 7.392 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.040 6.966 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.386 5.314 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.859 5.637 2.283 1.00 0.00 H new ATOM 255 N MET A 123 11.259 2.898 -1.082 1.00 0.00 N ATOM 256 CA MET A 123 12.175 2.587 -2.173 1.00 0.00 C ATOM 257 C MET A 123 11.496 1.708 -3.219 1.00 0.00 C ATOM 258 O MET A 123 10.325 1.354 -3.081 1.00 0.00 O ATOM 259 CB MET A 123 13.425 1.887 -1.635 1.00 0.00 C ATOM 260 CG MET A 123 14.690 2.719 -1.764 1.00 0.00 C ATOM 261 SD MET A 123 16.159 1.710 -2.040 1.00 0.00 S ATOM 262 CE MET A 123 16.373 1.900 -3.808 1.00 0.00 C ATOM 0 H MET A 123 11.311 2.255 -0.291 1.00 0.00 H new ATOM 0 HA MET A 123 12.468 3.524 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.269 1.638 -0.585 1.00 0.00 H new ATOM 0 HB3 MET A 123 13.563 0.946 -2.168 1.00 0.00 H new ATOM 0 HG2 MET A 123 14.576 3.421 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.825 3.311 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 123 17.245 1.332 -4.132 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.487 1.530 -4.324 1.00 0.00 H new ATOM 0 HE3 MET A 123 16.517 2.954 -4.046 1.00 0.00 H new ATOM 272 N VAL A 124 12.239 1.360 -4.265 1.00 0.00 N ATOM 273 CA VAL A 124 11.708 0.522 -5.334 1.00 0.00 C ATOM 274 C VAL A 124 11.959 -0.955 -5.050 1.00 0.00 C ATOM 275 O VAL A 124 12.965 -1.518 -5.481 1.00 0.00 O ATOM 276 CB VAL A 124 12.332 0.885 -6.694 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.629 0.141 -7.820 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.276 2.388 -6.921 1.00 0.00 C ATOM 0 H VAL A 124 13.210 1.645 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 124 10.634 0.704 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 124 13.378 0.580 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 124 12.084 0.410 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.726 -0.933 -7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.573 0.412 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.721 2.627 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.238 2.719 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.829 2.896 -6.131 1.00 0.00 H new ATOM 288 N ASN A 125 11.037 -1.577 -4.322 1.00 0.00 N ATOM 289 CA ASN A 125 11.158 -2.990 -3.980 1.00 0.00 C ATOM 290 C ASN A 125 10.983 -3.866 -5.217 1.00 0.00 C ATOM 291 O ASN A 125 10.966 -3.371 -6.344 1.00 0.00 O ATOM 292 CB ASN A 125 10.122 -3.370 -2.921 1.00 0.00 C ATOM 293 CG ASN A 125 8.742 -3.582 -3.512 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.151 -2.664 -4.081 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.221 -4.796 -3.378 1.00 0.00 N ATOM 0 H ASN A 125 10.198 -1.125 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 125 12.157 -3.157 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.441 -4.281 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.074 -2.586 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.295 -4.998 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.747 -5.527 -2.899 1.00 0.00 H new ATOM 302 N ASP A 126 10.851 -5.170 -4.998 1.00 0.00 N ATOM 303 CA ASP A 126 10.675 -6.115 -6.094 1.00 0.00 C ATOM 304 C ASP A 126 9.436 -5.770 -6.915 1.00 0.00 C ATOM 305 O ASP A 126 9.434 -5.903 -8.139 1.00 0.00 O ATOM 306 CB ASP A 126 10.563 -7.541 -5.553 1.00 0.00 C ATOM 307 CG ASP A 126 11.682 -8.437 -6.046 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.824 -7.947 -6.169 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.415 -9.629 -6.307 1.00 0.00 O ATOM 0 H ASP A 126 10.863 -5.596 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 126 11.549 -6.049 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.576 -7.515 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.604 -7.965 -5.851 1.00 0.00 H new ATOM 314 N SER A 127 8.385 -5.328 -6.233 1.00 0.00 N ATOM 315 CA SER A 127 7.138 -4.969 -6.898 1.00 0.00 C ATOM 316 C SER A 127 6.253 -4.133 -5.979 1.00 0.00 C ATOM 317 O SER A 127 5.931 -4.546 -4.865 1.00 0.00 O ATOM 318 CB SER A 127 6.389 -6.229 -7.339 1.00 0.00 C ATOM 319 OG SER A 127 5.509 -5.949 -8.414 1.00 0.00 O ATOM 0 H SER A 127 8.372 -5.210 -5.220 1.00 0.00 H new ATOM 0 HA SER A 127 7.383 -4.374 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.104 -6.994 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.825 -6.633 -6.499 1.00 0.00 H new ATOM 0 HG SER A 127 5.044 -6.770 -8.678 1.00 0.00 H new ATOM 325 N MET A 128 5.863 -2.955 -6.454 1.00 0.00 N ATOM 326 CA MET A 128 5.014 -2.060 -5.676 1.00 0.00 C ATOM 327 C MET A 128 3.562 -2.155 -6.133 1.00 0.00 C ATOM 328 O MET A 128 3.280 -2.593 -7.248 1.00 0.00 O ATOM 329 CB MET A 128 5.507 -0.617 -5.802 1.00 0.00 C ATOM 330 CG MET A 128 6.944 -0.506 -6.286 1.00 0.00 C ATOM 331 SD MET A 128 7.639 1.138 -6.026 1.00 0.00 S ATOM 332 CE MET A 128 7.546 1.267 -4.242 1.00 0.00 C ATOM 0 H MET A 128 6.121 -2.598 -7.374 1.00 0.00 H new ATOM 0 HA MET A 128 5.068 -2.365 -4.631 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.857 -0.079 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.420 -0.126 -4.833 1.00 0.00 H new ATOM 0 HG2 MET A 128 7.557 -1.242 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 128 6.986 -0.750 -7.347 1.00 0.00 H new ATOM 0 HE1 MET A 128 8.127 2.127 -3.909 1.00 0.00 H new ATOM 0 HE2 MET A 128 6.506 1.392 -3.940 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.948 0.360 -3.790 1.00 0.00 H new ATOM 342 N ILE A 129 2.645 -1.742 -5.264 1.00 0.00 N ATOM 343 CA ILE A 129 1.223 -1.781 -5.579 1.00 0.00 C ATOM 344 C ILE A 129 0.469 -0.672 -4.852 1.00 0.00 C ATOM 345 O ILE A 129 0.716 -0.408 -3.676 1.00 0.00 O ATOM 346 CB ILE A 129 0.600 -3.139 -5.206 1.00 0.00 C ATOM 347 CG1 ILE A 129 -0.910 -3.116 -5.449 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.904 -3.481 -3.755 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.573 -4.463 -5.262 1.00 0.00 C ATOM 0 H ILE A 129 2.862 -1.377 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 129 1.134 -1.634 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 129 1.039 -3.910 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.368 -2.397 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.101 -2.764 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.457 -4.444 -3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.983 -3.535 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.490 -2.710 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.643 -4.371 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.142 -5.181 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.413 -4.809 -4.241 1.00 0.00 H new ATOM 361 N GLN A 130 -0.453 -0.028 -5.561 1.00 0.00 N ATOM 362 CA GLN A 130 -1.245 1.051 -4.983 1.00 0.00 C ATOM 363 C GLN A 130 -2.552 0.519 -4.406 1.00 0.00 C ATOM 364 O GLN A 130 -3.125 -0.442 -4.921 1.00 0.00 O ATOM 365 CB GLN A 130 -1.536 2.120 -6.037 1.00 0.00 C ATOM 366 CG GLN A 130 -2.461 3.222 -5.547 1.00 0.00 C ATOM 367 CD GLN A 130 -2.261 4.526 -6.294 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.364 5.640 -5.579 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.018 4.533 -7.501 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.670 -0.235 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.668 1.497 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.595 2.564 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.982 1.645 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.496 2.899 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.291 3.387 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -1.947 3.653 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.887 5.419 -7.990 1.00 0.00 H new ATOM 378 N CYS A 131 -3.021 1.149 -3.334 1.00 0.00 N ATOM 379 CA CYS A 131 -4.260 0.739 -2.686 1.00 0.00 C ATOM 380 C CYS A 131 -5.442 0.863 -3.644 1.00 0.00 C ATOM 381 O CYS A 131 -5.430 1.690 -4.555 1.00 0.00 O ATOM 382 CB CYS A 131 -4.512 1.586 -1.437 1.00 0.00 C ATOM 383 SG CYS A 131 -5.934 1.036 -0.440 1.00 0.00 S ATOM 0 H CYS A 131 -2.560 1.947 -2.896 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.159 -0.306 -2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.618 1.571 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.672 2.621 -1.739 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.472 -0.011 -0.992 1.00 0.00 H new ATOM 388 N GLU A 132 -6.459 0.034 -3.430 1.00 0.00 N ATOM 389 CA GLU A 132 -7.648 0.051 -4.275 1.00 0.00 C ATOM 390 C GLU A 132 -8.684 1.033 -3.737 1.00 0.00 C ATOM 391 O GLU A 132 -9.862 0.962 -4.087 1.00 0.00 O ATOM 392 CB GLU A 132 -8.255 -1.350 -4.366 1.00 0.00 C ATOM 393 CG GLU A 132 -8.082 -2.001 -5.728 1.00 0.00 C ATOM 394 CD GLU A 132 -9.163 -1.597 -6.711 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.181 -1.024 -6.269 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.992 -1.852 -7.921 1.00 0.00 O ATOM 0 H GLU A 132 -6.484 -0.657 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.350 0.375 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.797 -1.985 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.318 -1.292 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.107 -1.730 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.089 -3.085 -5.612 1.00 0.00 H new ATOM 403 N ASP A 133 -8.237 1.948 -2.884 1.00 0.00 N ATOM 404 CA ASP A 133 -9.124 2.945 -2.297 1.00 0.00 C ATOM 405 C ASP A 133 -8.718 4.352 -2.722 1.00 0.00 C ATOM 406 O ASP A 133 -7.648 4.837 -2.354 1.00 0.00 O ATOM 407 CB ASP A 133 -9.110 2.836 -0.771 1.00 0.00 C ATOM 408 CG ASP A 133 -9.875 3.962 -0.103 1.00 0.00 C ATOM 409 OD1 ASP A 133 -10.799 4.510 -0.740 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.549 4.296 1.055 1.00 0.00 O ATOM 0 H ASP A 133 -7.265 2.020 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.134 2.753 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.542 1.881 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.079 2.842 -0.419 1.00 0.00 H new ATOM 415 N GLN A 134 -9.578 5.001 -3.500 1.00 0.00 N ATOM 416 CA GLN A 134 -9.306 6.352 -3.977 1.00 0.00 C ATOM 417 C GLN A 134 -9.141 7.319 -2.809 1.00 0.00 C ATOM 418 O GLN A 134 -8.496 8.360 -2.939 1.00 0.00 O ATOM 419 CB GLN A 134 -10.435 6.829 -4.893 1.00 0.00 C ATOM 420 CG GLN A 134 -10.345 8.303 -5.252 1.00 0.00 C ATOM 421 CD GLN A 134 -10.724 8.577 -6.695 1.00 0.00 C ATOM 422 OE1 GLN A 134 -11.895 8.493 -7.068 1.00 0.00 O ATOM 423 NE2 GLN A 134 -9.733 8.906 -7.515 1.00 0.00 N ATOM 0 H GLN A 134 -10.468 4.614 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.374 6.330 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.422 6.239 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.391 6.640 -4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -11.000 8.874 -4.594 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -9.329 8.655 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -8.777 8.964 -7.163 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -9.927 9.101 -8.497 1.00 0.00 H new ATOM 432 N ARG A 135 -9.728 6.968 -1.670 1.00 0.00 N ATOM 433 CA ARG A 135 -9.647 7.806 -0.479 1.00 0.00 C ATOM 434 C ARG A 135 -8.378 7.504 0.313 1.00 0.00 C ATOM 435 O ARG A 135 -8.171 8.038 1.403 1.00 0.00 O ATOM 436 CB ARG A 135 -10.876 7.592 0.406 1.00 0.00 C ATOM 437 CG ARG A 135 -12.031 8.525 0.080 1.00 0.00 C ATOM 438 CD ARG A 135 -12.782 8.069 -1.162 1.00 0.00 C ATOM 439 NE ARG A 135 -14.190 8.456 -1.122 1.00 0.00 N ATOM 440 CZ ARG A 135 -14.965 8.518 -2.199 1.00 0.00 C ATOM 441 NH1 ARG A 135 -14.472 8.221 -3.393 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.237 8.878 -2.082 1.00 0.00 N ATOM 0 H ARG A 135 -10.265 6.110 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.616 8.847 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.213 6.561 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.591 7.731 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.717 8.567 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -11.652 9.535 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.313 8.498 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.706 6.986 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.600 8.691 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.495 7.944 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.070 8.270 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.620 9.107 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.832 8.925 -2.909 1.00 0.00 H new ATOM 456 N CYS A 136 -7.531 6.643 -0.242 1.00 0.00 N ATOM 457 CA CYS A 136 -6.283 6.268 0.412 1.00 0.00 C ATOM 458 C CYS A 136 -5.086 6.590 -0.477 1.00 0.00 C ATOM 459 O CYS A 136 -4.211 7.367 -0.098 1.00 0.00 O ATOM 460 CB CYS A 136 -6.291 4.777 0.756 1.00 0.00 C ATOM 461 SG CYS A 136 -5.846 4.410 2.483 1.00 0.00 S ATOM 0 H CYS A 136 -7.687 6.192 -1.143 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.196 6.845 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.283 4.374 0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.596 4.259 0.095 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.536 3.391 2.902 1.00 0.00 H new ATOM 466 N GLN A 137 -5.055 5.986 -1.661 1.00 0.00 N ATOM 467 CA GLN A 137 -3.965 6.208 -2.603 1.00 0.00 C ATOM 468 C GLN A 137 -2.614 5.958 -1.941 1.00 0.00 C ATOM 469 O GLN A 137 -1.702 6.780 -2.038 1.00 0.00 O ATOM 470 CB GLN A 137 -4.021 7.635 -3.153 1.00 0.00 C ATOM 471 CG GLN A 137 -5.338 7.974 -3.831 1.00 0.00 C ATOM 472 CD GLN A 137 -5.245 7.927 -5.343 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.232 8.963 -6.009 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.181 6.721 -5.895 1.00 0.00 N ATOM 0 H GLN A 137 -5.772 5.340 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.081 5.504 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.851 8.337 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.209 7.773 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.105 7.276 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.656 8.969 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.195 5.889 -5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.118 6.627 -6.909 1.00 0.00 H new ATOM 483 N VAL A 138 -2.492 4.818 -1.268 1.00 0.00 N ATOM 484 CA VAL A 138 -1.252 4.459 -0.591 1.00 0.00 C ATOM 485 C VAL A 138 -0.573 3.279 -1.276 1.00 0.00 C ATOM 486 O VAL A 138 -1.187 2.232 -1.483 1.00 0.00 O ATOM 487 CB VAL A 138 -1.502 4.107 0.888 1.00 0.00 C ATOM 488 CG1 VAL A 138 -2.002 5.324 1.650 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.488 2.954 1.001 1.00 0.00 C ATOM 0 H VAL A 138 -3.237 4.127 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.599 5.330 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.558 3.793 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.173 5.056 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.257 6.118 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.935 5.672 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.653 2.718 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.434 3.238 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.084 2.079 0.492 1.00 0.00 H new ATOM 499 N TRP A 139 0.696 3.454 -1.625 1.00 0.00 N ATOM 500 CA TRP A 139 1.459 2.402 -2.287 1.00 0.00 C ATOM 501 C TRP A 139 2.203 1.545 -1.267 1.00 0.00 C ATOM 502 O TRP A 139 2.671 2.048 -0.246 1.00 0.00 O ATOM 503 CB TRP A 139 2.451 3.010 -3.280 1.00 0.00 C ATOM 504 CG TRP A 139 1.788 3.757 -4.398 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.918 4.803 -4.282 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.942 3.514 -5.800 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.521 5.224 -5.529 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.136 4.450 -6.477 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.684 2.597 -6.551 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.052 4.494 -7.866 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.599 2.641 -7.929 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.788 3.585 -8.575 1.00 0.00 C ATOM 0 H TRP A 139 1.219 4.314 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 139 0.759 1.765 -2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.120 3.686 -2.747 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.068 2.215 -3.699 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.590 5.236 -3.348 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.127 5.989 -5.718 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.312 1.867 -6.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.428 5.220 -8.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.167 1.937 -8.519 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.744 3.594 -9.654 1.00 0.00 H new ATOM 523 N GLN A 140 2.306 0.251 -1.552 1.00 0.00 N ATOM 524 CA GLN A 140 2.993 -0.674 -0.658 1.00 0.00 C ATOM 525 C GLN A 140 3.755 -1.732 -1.450 1.00 0.00 C ATOM 526 O GLN A 140 3.530 -1.906 -2.648 1.00 0.00 O ATOM 527 CB GLN A 140 1.991 -1.347 0.281 1.00 0.00 C ATOM 528 CG GLN A 140 1.372 -0.397 1.294 1.00 0.00 C ATOM 529 CD GLN A 140 0.964 -1.094 2.576 1.00 0.00 C ATOM 530 OE1 GLN A 140 1.144 -2.304 2.722 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.411 -0.334 3.514 1.00 0.00 N ATOM 0 H GLN A 140 1.923 -0.180 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 140 3.709 -0.104 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.197 -1.799 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.491 -2.156 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 140 2.085 0.394 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.498 0.081 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.281 0.664 3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 140 0.116 -0.749 4.398 1.00 0.00 H new ATOM 540 N HIS A 141 4.657 -2.435 -0.773 1.00 0.00 N ATOM 541 CA HIS A 141 5.453 -3.476 -1.414 1.00 0.00 C ATOM 542 C HIS A 141 4.671 -4.783 -1.498 1.00 0.00 C ATOM 543 O HIS A 141 4.310 -5.370 -0.476 1.00 0.00 O ATOM 544 CB HIS A 141 6.756 -3.696 -0.647 1.00 0.00 C ATOM 545 CG HIS A 141 7.630 -2.481 -0.589 1.00 0.00 C ATOM 546 ND1 HIS A 141 7.789 -1.462 -1.466 1.00 0.00 N flip ATOM 547 CD2 HIS A 141 8.474 -2.211 0.467 1.00 0.00 C flip ATOM 548 CE1 HIS A 141 8.716 -0.603 -0.929 1.00 0.00 C flip ATOM 549 NE2 HIS A 141 9.113 -1.077 0.238 1.00 0.00 N flip ATOM 0 H HIS A 141 4.855 -2.303 0.219 1.00 0.00 H new ATOM 0 HA HIS A 141 5.688 -3.148 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.521 -4.013 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.310 -4.510 -1.115 1.00 0.00 H new ATOM 0 HD1 HIS A 141 7.309 -1.353 -2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.594 -2.829 1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.064 0.311 -1.387 1.00 0.00 H new ATOM 557 N LEU A 142 4.411 -5.235 -2.720 1.00 0.00 N ATOM 558 CA LEU A 142 3.671 -6.473 -2.937 1.00 0.00 C ATOM 559 C LEU A 142 4.320 -7.634 -2.191 1.00 0.00 C ATOM 560 O LEU A 142 3.635 -8.449 -1.575 1.00 0.00 O ATOM 561 CB LEU A 142 3.597 -6.790 -4.432 1.00 0.00 C ATOM 562 CG LEU A 142 2.273 -6.461 -5.123 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.340 -6.817 -6.600 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.122 -7.192 -4.448 1.00 0.00 C ATOM 0 H LEU A 142 4.702 -4.762 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 142 2.661 -6.336 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.393 -6.245 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.801 -7.852 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 142 2.096 -5.389 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.389 -6.576 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.138 -6.247 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.540 -7.883 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.188 -6.946 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.292 -8.267 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.060 -6.888 -3.403 1.00 0.00 H new ATOM 576 N ASN A 143 5.646 -7.700 -2.248 1.00 0.00 N ATOM 577 CA ASN A 143 6.389 -8.760 -1.576 1.00 0.00 C ATOM 578 C ASN A 143 6.186 -8.692 -0.065 1.00 0.00 C ATOM 579 O ASN A 143 6.338 -9.691 0.638 1.00 0.00 O ATOM 580 CB ASN A 143 7.879 -8.656 -1.907 1.00 0.00 C ATOM 581 CG ASN A 143 8.248 -9.432 -3.157 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.837 -10.511 -3.080 1.00 0.00 O ATOM 583 ND2 ASN A 143 7.903 -8.885 -4.316 1.00 0.00 N ATOM 0 H ASN A 143 6.228 -7.032 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 143 6.011 -9.718 -1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.147 -7.608 -2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.463 -9.029 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.125 -9.361 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.416 -7.989 -4.332 1.00 0.00 H new ATOM 590 N CYS A 144 5.842 -7.506 0.427 1.00 0.00 N ATOM 591 CA CYS A 144 5.619 -7.306 1.854 1.00 0.00 C ATOM 592 C CYS A 144 4.187 -7.670 2.236 1.00 0.00 C ATOM 593 O CYS A 144 3.929 -8.144 3.343 1.00 0.00 O ATOM 594 CB CYS A 144 5.907 -5.854 2.238 1.00 0.00 C ATOM 595 SG CYS A 144 7.680 -5.465 2.399 1.00 0.00 S ATOM 0 H CYS A 144 5.712 -6.669 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 144 6.300 -7.960 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.469 -5.197 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.410 -5.634 3.183 1.00 0.00 H new ATOM 0 HG CYS A 144 7.827 -4.192 2.617 1.00 0.00 H new ATOM 600 N VAL A 145 3.258 -7.444 1.313 1.00 0.00 N ATOM 601 CA VAL A 145 1.852 -7.748 1.551 1.00 0.00 C ATOM 602 C VAL A 145 1.453 -9.059 0.882 1.00 0.00 C ATOM 603 O VAL A 145 0.267 -9.364 0.749 1.00 0.00 O ATOM 604 CB VAL A 145 0.938 -6.621 1.035 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.069 -5.384 1.910 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.262 -6.295 -0.415 1.00 0.00 C ATOM 0 H VAL A 145 3.454 -7.051 0.392 1.00 0.00 H new ATOM 0 HA VAL A 145 1.726 -7.841 2.630 1.00 0.00 H new ATOM 0 HB VAL A 145 -0.096 -6.964 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.416 -4.599 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.783 -5.630 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.102 -5.036 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.607 -5.497 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.300 -5.972 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.111 -7.182 -1.030 1.00 0.00 H new ATOM 616 N LEU A 146 2.449 -9.830 0.463 1.00 0.00 N ATOM 617 CA LEU A 146 2.202 -11.110 -0.193 1.00 0.00 C ATOM 618 C LEU A 146 2.399 -12.267 0.781 1.00 0.00 C ATOM 619 O LEU A 146 3.479 -12.437 1.349 1.00 0.00 O ATOM 620 CB LEU A 146 3.132 -11.277 -1.396 1.00 0.00 C ATOM 621 CG LEU A 146 2.542 -10.906 -2.757 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.650 -10.654 -3.768 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.608 -12.002 -3.249 1.00 0.00 C ATOM 0 H LEU A 146 3.436 -9.592 0.565 1.00 0.00 H new ATOM 0 HA LEU A 146 1.168 -11.121 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.021 -10.669 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.459 -12.316 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 146 1.965 -9.988 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.211 -10.391 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.280 -9.835 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.254 -11.555 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.197 -11.722 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.162 -12.936 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.795 -12.135 -2.535 1.00 0.00 H new ATOM 759 N GLU A 156 0.668 -15.282 -3.027 1.00 0.00 N ATOM 760 CA GLU A 156 -0.629 -15.051 -3.654 1.00 0.00 C ATOM 761 C GLU A 156 -0.937 -13.558 -3.731 1.00 0.00 C ATOM 762 O GLU A 156 -1.288 -12.932 -2.731 1.00 0.00 O ATOM 763 CB GLU A 156 -1.732 -15.770 -2.875 1.00 0.00 C ATOM 764 CG GLU A 156 -2.565 -16.711 -3.730 1.00 0.00 C ATOM 765 CD GLU A 156 -3.995 -16.234 -3.896 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.831 -16.546 -3.022 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.279 -15.549 -4.901 1.00 0.00 O ATOM 0 HA GLU A 156 -0.590 -15.450 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.280 -16.336 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -2.388 -15.027 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -2.102 -16.810 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.567 -17.702 -3.277 1.00 0.00 H new ATOM 774 N VAL A 157 -0.802 -12.993 -4.927 1.00 0.00 N ATOM 775 CA VAL A 157 -1.066 -11.575 -5.137 1.00 0.00 C ATOM 776 C VAL A 157 -2.460 -11.355 -5.716 1.00 0.00 C ATOM 777 O VAL A 157 -2.705 -11.563 -6.904 1.00 0.00 O ATOM 778 CB VAL A 157 -0.025 -10.944 -6.081 1.00 0.00 C ATOM 779 CG1 VAL A 157 0.068 -11.733 -7.377 1.00 0.00 C ATOM 780 CG2 VAL A 157 -0.370 -9.488 -6.357 1.00 0.00 C ATOM 0 H VAL A 157 -0.511 -13.496 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 157 -1.001 -11.093 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 157 0.949 -10.977 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.808 -11.272 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 157 0.365 -12.759 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.903 -11.735 -7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 157 0.376 -9.058 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 157 -1.353 -9.429 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 157 -0.380 -8.932 -5.419 1.00 0.00 H new ATOM 790 N PRO A 158 -3.395 -10.924 -4.857 1.00 0.00 N ATOM 791 CA PRO A 158 -4.781 -10.665 -5.260 1.00 0.00 C ATOM 792 C PRO A 158 -4.903 -9.441 -6.161 1.00 0.00 C ATOM 793 O PRO A 158 -3.996 -8.613 -6.251 1.00 0.00 O ATOM 794 CB PRO A 158 -5.498 -10.424 -3.929 1.00 0.00 C ATOM 795 CG PRO A 158 -4.432 -9.949 -3.004 1.00 0.00 C ATOM 796 CD PRO A 158 -3.173 -10.655 -3.426 1.00 0.00 C ATOM 0 HA PRO A 158 -5.198 -11.488 -5.841 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.290 -9.682 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.964 -11.337 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.313 -8.867 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.682 -10.181 -1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.291 -10.034 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -3.021 -11.576 -2.863 1.00 0.00 H new ATOM 804 N PRO A 159 -6.051 -9.320 -6.844 1.00 0.00 N ATOM 805 CA PRO A 159 -6.320 -8.199 -7.749 1.00 0.00 C ATOM 806 C PRO A 159 -6.512 -6.884 -7.001 1.00 0.00 C ATOM 807 O PRO A 159 -5.975 -5.849 -7.397 1.00 0.00 O ATOM 808 CB PRO A 159 -7.617 -8.611 -8.449 1.00 0.00 C ATOM 809 CG PRO A 159 -8.284 -9.541 -7.495 1.00 0.00 C ATOM 810 CD PRO A 159 -7.176 -10.269 -6.784 1.00 0.00 C ATOM 0 HA PRO A 159 -5.490 -8.019 -8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.244 -7.745 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.414 -9.100 -9.402 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -8.908 -8.994 -6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -8.935 -10.239 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.447 -10.507 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -6.934 -11.211 -7.276 1.00 0.00 H new ATOM 818 N VAL A 160 -7.282 -6.931 -5.919 1.00 0.00 N ATOM 819 CA VAL A 160 -7.544 -5.743 -5.115 1.00 0.00 C ATOM 820 C VAL A 160 -6.710 -5.748 -3.839 1.00 0.00 C ATOM 821 O VAL A 160 -6.766 -6.692 -3.051 1.00 0.00 O ATOM 822 CB VAL A 160 -9.034 -5.637 -4.740 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.260 -4.487 -3.770 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.887 -5.466 -5.989 1.00 0.00 C ATOM 0 H VAL A 160 -7.735 -7.779 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.267 -4.882 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.333 -6.562 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.318 -4.428 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -8.679 -4.656 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.945 -3.552 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -10.937 -5.393 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.588 -4.558 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.748 -6.325 -6.645 1.00 0.00 H new ATOM 834 N PHE A 161 -5.935 -4.686 -3.641 1.00 0.00 N ATOM 835 CA PHE A 161 -5.088 -4.568 -2.461 1.00 0.00 C ATOM 836 C PHE A 161 -5.540 -3.406 -1.581 1.00 0.00 C ATOM 837 O PHE A 161 -5.680 -2.276 -2.050 1.00 0.00 O ATOM 838 CB PHE A 161 -3.627 -4.372 -2.873 1.00 0.00 C ATOM 839 CG PHE A 161 -2.788 -3.715 -1.814 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.319 -4.443 -0.733 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.469 -2.369 -1.900 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.547 -3.842 0.244 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.697 -1.763 -0.928 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.236 -2.500 0.146 1.00 0.00 C ATOM 0 H PHE A 161 -5.877 -3.895 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.176 -5.491 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.194 -5.342 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.591 -3.768 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.559 -5.493 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.828 -1.787 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -1.188 -4.421 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.454 -0.714 -1.007 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.633 -2.027 0.908 1.00 0.00 H new ATOM 854 N TYR A 162 -5.766 -3.692 -0.304 1.00 0.00 N ATOM 855 CA TYR A 162 -6.206 -2.673 0.642 1.00 0.00 C ATOM 856 C TYR A 162 -5.242 -2.572 1.821 1.00 0.00 C ATOM 857 O TYR A 162 -5.040 -3.538 2.557 1.00 0.00 O ATOM 858 CB TYR A 162 -7.615 -2.988 1.146 1.00 0.00 C ATOM 859 CG TYR A 162 -8.708 -2.578 0.184 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.850 -1.254 -0.213 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.598 -3.515 -0.326 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.847 -0.875 -1.091 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.597 -3.145 -1.206 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.718 -1.824 -1.585 1.00 0.00 C ATOM 865 OH TYR A 162 -11.712 -1.451 -2.459 1.00 0.00 O ATOM 0 H TYR A 162 -5.652 -4.621 0.100 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.220 -1.714 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.693 -4.058 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.773 -2.482 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.169 -0.509 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.508 -4.550 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.944 0.159 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.280 -3.886 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.237 -2.239 -2.712 1.00 0.00 H new ATOM 875 N CYS A 163 -4.651 -1.395 1.994 1.00 0.00 N ATOM 876 CA CYS A 163 -3.709 -1.165 3.083 1.00 0.00 C ATOM 877 C CYS A 163 -4.342 -1.502 4.430 1.00 0.00 C ATOM 878 O CYS A 163 -5.501 -1.910 4.497 1.00 0.00 O ATOM 879 CB CYS A 163 -3.238 0.291 3.078 1.00 0.00 C ATOM 880 SG CYS A 163 -4.437 1.463 3.790 1.00 0.00 S ATOM 0 H CYS A 163 -4.808 -0.585 1.394 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.850 -1.819 2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.303 0.361 3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -3.021 0.588 2.052 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.685 2.406 2.930 1.00 0.00 H new ATOM 885 N GLU A 164 -3.572 -1.328 5.499 1.00 0.00 N ATOM 886 CA GLU A 164 -4.057 -1.614 6.844 1.00 0.00 C ATOM 887 C GLU A 164 -5.308 -0.798 7.156 1.00 0.00 C ATOM 888 O GLU A 164 -6.302 -1.330 7.653 1.00 0.00 O ATOM 889 CB GLU A 164 -2.969 -1.315 7.878 1.00 0.00 C ATOM 890 CG GLU A 164 -2.392 0.087 7.766 1.00 0.00 C ATOM 891 CD GLU A 164 -1.164 0.283 8.633 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.049 -0.029 8.164 1.00 0.00 O ATOM 893 OE2 GLU A 164 -1.318 0.749 9.781 1.00 0.00 O ATOM 0 H GLU A 164 -2.610 -0.991 5.460 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.313 -2.673 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.382 -1.450 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.163 -2.041 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.134 0.288 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -3.153 0.813 8.051 1.00 0.00 H new ATOM 900 N LEU A 165 -5.252 0.496 6.862 1.00 0.00 N ATOM 901 CA LEU A 165 -6.380 1.387 7.111 1.00 0.00 C ATOM 902 C LEU A 165 -7.662 0.824 6.506 1.00 0.00 C ATOM 903 O LEU A 165 -8.643 0.588 7.212 1.00 0.00 O ATOM 904 CB LEU A 165 -6.096 2.775 6.534 1.00 0.00 C ATOM 905 CG LEU A 165 -4.700 3.339 6.799 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.588 4.759 6.265 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.383 3.300 8.286 1.00 0.00 C ATOM 0 H LEU A 165 -4.437 0.952 6.451 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.515 1.470 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.252 2.737 5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.830 3.472 6.938 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.973 2.718 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.588 5.144 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.771 4.759 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.325 5.393 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.386 3.705 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.115 3.897 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.421 2.270 8.639 1.00 0.00 H new ATOM 919 N CYS A 166 -7.647 0.611 5.194 1.00 0.00 N ATOM 920 CA CYS A 166 -8.807 0.074 4.493 1.00 0.00 C ATOM 921 C CYS A 166 -9.140 -1.331 4.987 1.00 0.00 C ATOM 922 O CYS A 166 -10.309 -1.688 5.136 1.00 0.00 O ATOM 923 CB CYS A 166 -8.551 0.049 2.985 1.00 0.00 C ATOM 924 SG CYS A 166 -8.184 1.682 2.266 1.00 0.00 S ATOM 0 H CYS A 166 -6.844 0.802 4.595 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.658 0.723 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.717 -0.622 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.426 -0.368 2.486 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.364 1.542 1.267 1.00 0.00 H new ATOM 929 N ARG A 167 -8.103 -2.124 5.240 1.00 0.00 N ATOM 930 CA ARG A 167 -8.285 -3.490 5.716 1.00 0.00 C ATOM 931 C ARG A 167 -9.138 -3.516 6.981 1.00 0.00 C ATOM 932 O ARG A 167 -10.117 -4.259 7.067 1.00 0.00 O ATOM 933 CB ARG A 167 -6.928 -4.141 5.990 1.00 0.00 C ATOM 934 CG ARG A 167 -6.453 -5.053 4.870 1.00 0.00 C ATOM 935 CD ARG A 167 -6.256 -6.479 5.359 1.00 0.00 C ATOM 936 NE ARG A 167 -4.944 -6.672 5.971 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.530 -7.831 6.470 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.321 -8.895 6.431 1.00 0.00 N ATOM 939 NH2 ARG A 167 -3.322 -7.928 7.011 1.00 0.00 N ATOM 0 H ARG A 167 -7.129 -1.844 5.123 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.801 -4.054 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.185 -3.359 6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.990 -4.716 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -7.180 -5.043 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.515 -4.674 4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -7.033 -6.725 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.371 -7.168 4.522 1.00 0.00 H new ATOM 0 HE ARG A 167 -4.311 -5.873 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.250 -8.825 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -5.000 -9.784 6.815 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.711 -7.112 7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -3.005 -8.819 7.394 1.00 0.00 H new