USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 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= -0.0883 F(o=-2.1,f=-0.88) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.792 K(o=-0.88,f=-4.2!) USER MOD Set 2.1: A 131 CYS SG : rot 5:sc= -0.148 USER MOD Set 2.2: A 136 CYS SG : rot 146:sc= 0.596 USER MOD Set 2.3: A 163 CYS SG : rot -125:sc= -0.303 USER MOD Set 2.4: A 166 CYS SG : rot 145:sc= 1.11 USER MOD Set 3.1: A 117 CYS SG : rot -80:sc= 0.389 USER MOD Set 3.2: A 119 CYS SG : rot -75:sc= 0.151 USER MOD Set 3.3: A 141 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-3.7) USER MOD Set 3.4: A 144 CYS SG : rot -170:sc= -0.563 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -58:sc= 0.92 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 163:sc= -0.505 (180deg=-1.23) USER MOD Single : A 125 ASN : amide:sc= -4.34! C(o=-4.3!,f=-9.2!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 159:sc= -0.962 (180deg=-1.35) USER MOD Single : A 134 GLN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 140 GLN : amide:sc= -0.898 K(o=-0.9,f=-2.9!) USER MOD Single : A 143 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 112 -1.420 11.569 -4.104 1.00 0.00 N ATOM 94 CA GLU A 112 -1.956 10.404 -4.797 1.00 0.00 C ATOM 95 C GLU A 112 -0.956 9.251 -4.778 1.00 0.00 C ATOM 96 O GLU A 112 -1.333 8.086 -4.894 1.00 0.00 O ATOM 97 CB GLU A 112 -2.312 10.761 -6.242 1.00 0.00 C ATOM 98 CG GLU A 112 -3.740 11.252 -6.413 1.00 0.00 C ATOM 99 CD GLU A 112 -3.809 12.698 -6.863 1.00 0.00 C ATOM 100 OE1 GLU A 112 -3.268 13.009 -7.945 1.00 0.00 O ATOM 101 OE2 GLU A 112 -4.403 13.519 -6.134 1.00 0.00 O ATOM 0 HA GLU A 112 -2.859 10.087 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.627 11.531 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.160 9.885 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.252 10.624 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.273 11.143 -5.469 1.00 0.00 H new ATOM 108 N ALA A 113 0.322 9.587 -4.631 1.00 0.00 N ATOM 109 CA ALA A 113 1.377 8.582 -4.595 1.00 0.00 C ATOM 110 C ALA A 113 2.105 8.598 -3.256 1.00 0.00 C ATOM 111 O ALA A 113 3.165 9.211 -3.121 1.00 0.00 O ATOM 112 CB ALA A 113 2.359 8.807 -5.736 1.00 0.00 C ATOM 0 H ALA A 113 0.651 10.548 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 113 0.916 7.602 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.142 8.049 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.833 8.737 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.807 9.796 -5.641 1.00 0.00 H new ATOM 118 N LYS A 114 1.531 7.922 -2.267 1.00 0.00 N ATOM 119 CA LYS A 114 2.125 7.858 -0.937 1.00 0.00 C ATOM 120 C LYS A 114 2.532 6.429 -0.592 1.00 0.00 C ATOM 121 O LYS A 114 1.682 5.575 -0.339 1.00 0.00 O ATOM 122 CB LYS A 114 1.142 8.387 0.110 1.00 0.00 C ATOM 123 CG LYS A 114 1.591 8.148 1.541 1.00 0.00 C ATOM 124 CD LYS A 114 1.287 9.344 2.428 1.00 0.00 C ATOM 125 CE LYS A 114 2.226 9.406 3.622 1.00 0.00 C ATOM 126 NZ LYS A 114 1.656 10.215 4.735 1.00 0.00 N ATOM 0 H LYS A 114 0.654 7.410 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 114 3.018 8.483 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.001 9.457 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.172 7.913 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.092 7.264 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.662 7.944 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.376 10.261 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.256 9.286 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.431 8.396 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.179 9.835 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.326 10.233 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.484 11.186 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.759 9.792 5.048 1.00 0.00 H new ATOM 140 N VAL A 115 3.837 6.176 -0.581 1.00 0.00 N ATOM 141 CA VAL A 115 4.356 4.852 -0.263 1.00 0.00 C ATOM 142 C VAL A 115 4.416 4.631 1.244 1.00 0.00 C ATOM 143 O VAL A 115 5.287 5.171 1.926 1.00 0.00 O ATOM 144 CB VAL A 115 5.762 4.642 -0.858 1.00 0.00 C ATOM 145 CG1 VAL A 115 6.201 3.195 -0.694 1.00 0.00 C ATOM 146 CG2 VAL A 115 5.787 5.053 -2.322 1.00 0.00 C ATOM 0 H VAL A 115 4.554 6.871 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 115 3.670 4.130 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 115 6.465 5.273 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.196 3.066 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.224 2.940 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.498 2.541 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.787 4.898 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.072 4.450 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.520 6.106 -2.409 1.00 0.00 H new ATOM 156 N ARG A 116 3.485 3.835 1.757 1.00 0.00 N ATOM 157 CA ARG A 116 3.431 3.543 3.185 1.00 0.00 C ATOM 158 C ARG A 116 3.427 2.037 3.433 1.00 0.00 C ATOM 159 O ARG A 116 2.372 1.404 3.458 1.00 0.00 O ATOM 160 CB ARG A 116 2.186 4.176 3.810 1.00 0.00 C ATOM 161 CG ARG A 116 2.408 5.597 4.302 1.00 0.00 C ATOM 162 CD ARG A 116 2.333 5.680 5.818 1.00 0.00 C ATOM 163 NE ARG A 116 1.995 7.025 6.277 1.00 0.00 N ATOM 164 CZ ARG A 116 2.138 7.430 7.534 1.00 0.00 C ATOM 165 NH1 ARG A 116 2.612 6.599 8.452 1.00 0.00 N ATOM 166 NH2 ARG A 116 1.809 8.670 7.874 1.00 0.00 N ATOM 0 H ARG A 116 2.757 3.380 1.206 1.00 0.00 H new ATOM 0 HA ARG A 116 4.320 3.968 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.381 4.176 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 116 1.855 3.559 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.382 5.952 3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.659 6.256 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.587 4.974 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.290 5.381 6.245 1.00 0.00 H new ATOM 0 HE ARG A 116 1.629 7.689 5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 116 2.868 5.646 8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.721 6.913 9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.446 9.313 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.919 8.980 8.839 1.00 0.00 H new ATOM 180 N CYS A 117 4.615 1.470 3.615 1.00 0.00 N ATOM 181 CA CYS A 117 4.750 0.039 3.859 1.00 0.00 C ATOM 182 C CYS A 117 5.130 -0.231 5.312 1.00 0.00 C ATOM 183 O CYS A 117 5.674 0.639 5.994 1.00 0.00 O ATOM 184 CB CYS A 117 5.803 -0.562 2.926 1.00 0.00 C ATOM 185 SG CYS A 117 5.755 -2.380 2.824 1.00 0.00 S ATOM 0 H CYS A 117 5.498 1.980 3.598 1.00 0.00 H new ATOM 0 HA CYS A 117 3.787 -0.431 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 117 5.666 -0.149 1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 117 6.792 -0.254 3.265 1.00 0.00 H new ATOM 0 HG CYS A 117 6.358 -2.889 3.857 1.00 0.00 H new ATOM 190 N ILE A 118 4.840 -1.440 5.779 1.00 0.00 N ATOM 191 CA ILE A 118 5.152 -1.825 7.150 1.00 0.00 C ATOM 192 C ILE A 118 6.647 -1.704 7.428 1.00 0.00 C ATOM 193 O ILE A 118 7.067 -1.577 8.578 1.00 0.00 O ATOM 194 CB ILE A 118 4.701 -3.267 7.447 1.00 0.00 C ATOM 195 CG1 ILE A 118 5.209 -4.217 6.360 1.00 0.00 C ATOM 196 CG2 ILE A 118 3.185 -3.337 7.552 1.00 0.00 C ATOM 197 CD1 ILE A 118 5.172 -5.674 6.766 1.00 0.00 C ATOM 0 H ILE A 118 4.389 -2.171 5.228 1.00 0.00 H new ATOM 0 HA ILE A 118 4.607 -1.142 7.801 1.00 0.00 H new ATOM 0 HB ILE A 118 5.127 -3.576 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.607 -4.083 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.233 -3.946 6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.882 -4.363 7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 118 2.846 -2.686 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.740 -3.013 6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.546 -6.289 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.797 -5.822 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.146 -5.961 6.997 1.00 0.00 H new ATOM 209 N CYS A 119 7.445 -1.744 6.367 1.00 0.00 N ATOM 210 CA CYS A 119 8.894 -1.638 6.494 1.00 0.00 C ATOM 211 C CYS A 119 9.329 -0.176 6.550 1.00 0.00 C ATOM 212 O CYS A 119 10.515 0.124 6.688 1.00 0.00 O ATOM 213 CB CYS A 119 9.583 -2.343 5.325 1.00 0.00 C ATOM 214 SG CYS A 119 9.166 -1.653 3.691 1.00 0.00 S ATOM 0 H CYS A 119 7.113 -1.849 5.408 1.00 0.00 H new ATOM 0 HA CYS A 119 9.189 -2.122 7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 119 10.662 -2.288 5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 119 9.313 -3.399 5.341 1.00 0.00 H new ATOM 0 HG CYS A 119 7.965 -2.022 3.358 1.00 0.00 H new ATOM 219 N SER A 120 8.361 0.728 6.441 1.00 0.00 N ATOM 220 CA SER A 120 8.645 2.158 6.475 1.00 0.00 C ATOM 221 C SER A 120 9.706 2.527 5.443 1.00 0.00 C ATOM 222 O SER A 120 10.567 3.369 5.695 1.00 0.00 O ATOM 223 CB SER A 120 9.110 2.575 7.872 1.00 0.00 C ATOM 224 OG SER A 120 10.491 2.312 8.049 1.00 0.00 O ATOM 0 H SER A 120 7.374 0.496 6.328 1.00 0.00 H new ATOM 0 HA SER A 120 7.726 2.691 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.917 3.637 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.535 2.038 8.626 1.00 0.00 H new ATOM 0 HG SER A 120 10.662 1.357 7.913 1.00 0.00 H new ATOM 230 N SER A 121 9.636 1.889 4.278 1.00 0.00 N ATOM 231 CA SER A 121 10.593 2.146 3.208 1.00 0.00 C ATOM 232 C SER A 121 9.877 2.579 1.932 1.00 0.00 C ATOM 233 O SER A 121 9.118 1.811 1.340 1.00 0.00 O ATOM 234 CB SER A 121 11.433 0.897 2.936 1.00 0.00 C ATOM 235 OG SER A 121 12.579 1.212 2.164 1.00 0.00 O ATOM 0 H SER A 121 8.927 1.191 4.052 1.00 0.00 H new ATOM 0 HA SER A 121 11.250 2.955 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.739 0.448 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.830 0.156 2.412 1.00 0.00 H new ATOM 0 HG SER A 121 13.100 0.398 2.005 1.00 0.00 H new ATOM 241 N THR A 122 10.123 3.817 1.514 1.00 0.00 N ATOM 242 CA THR A 122 9.502 4.354 0.310 1.00 0.00 C ATOM 243 C THR A 122 10.402 4.161 -0.906 1.00 0.00 C ATOM 244 O THR A 122 10.385 4.966 -1.836 1.00 0.00 O ATOM 245 CB THR A 122 9.182 5.853 0.464 1.00 0.00 C ATOM 246 OG1 THR A 122 10.396 6.609 0.532 1.00 0.00 O ATOM 247 CG2 THR A 122 8.352 6.103 1.715 1.00 0.00 C ATOM 0 H THR A 122 10.748 4.466 1.992 1.00 0.00 H new ATOM 0 HA THR A 122 8.572 3.804 0.162 1.00 0.00 H new ATOM 0 HB THR A 122 8.606 6.170 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 122 10.184 7.561 0.628 1.00 0.00 H new ATOM 0 HG21 THR A 122 8.138 7.168 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 122 7.416 5.549 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 122 8.907 5.771 2.592 1.00 0.00 H new ATOM 255 N MET A 123 11.187 3.089 -0.891 1.00 0.00 N ATOM 256 CA MET A 123 12.092 2.790 -1.994 1.00 0.00 C ATOM 257 C MET A 123 11.401 1.931 -3.048 1.00 0.00 C ATOM 258 O MET A 123 10.228 1.584 -2.908 1.00 0.00 O ATOM 259 CB MET A 123 13.342 2.075 -1.477 1.00 0.00 C ATOM 260 CG MET A 123 14.040 2.814 -0.346 1.00 0.00 C ATOM 261 SD MET A 123 15.644 3.476 -0.836 1.00 0.00 S ATOM 262 CE MET A 123 15.218 4.296 -2.370 1.00 0.00 C ATOM 0 H MET A 123 11.215 2.413 -0.127 1.00 0.00 H new ATOM 0 HA MET A 123 12.386 3.733 -2.455 1.00 0.00 H new ATOM 0 HB2 MET A 123 13.065 1.079 -1.133 1.00 0.00 H new ATOM 0 HB3 MET A 123 14.043 1.944 -2.301 1.00 0.00 H new ATOM 0 HG2 MET A 123 13.404 3.630 -0.003 1.00 0.00 H new ATOM 0 HG3 MET A 123 14.173 2.137 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 123 16.009 4.996 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 123 15.105 3.554 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 123 14.281 4.838 -2.245 1.00 0.00 H new ATOM 272 N VAL A 124 12.134 1.591 -4.103 1.00 0.00 N ATOM 273 CA VAL A 124 11.591 0.772 -5.180 1.00 0.00 C ATOM 274 C VAL A 124 11.868 -0.708 -4.938 1.00 0.00 C ATOM 275 O VAL A 124 12.867 -1.248 -5.410 1.00 0.00 O ATOM 276 CB VAL A 124 12.180 1.176 -6.544 1.00 0.00 C ATOM 277 CG1 VAL A 124 11.461 0.452 -7.672 1.00 0.00 C ATOM 278 CG2 VAL A 124 12.101 2.684 -6.732 1.00 0.00 C ATOM 0 H VAL A 124 13.106 1.870 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 124 10.514 0.940 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 124 13.230 0.884 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.891 0.750 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 124 11.574 -0.625 -7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.402 0.711 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 124 12.522 2.952 -7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 124 11.059 3.002 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 124 12.665 3.179 -5.942 1.00 0.00 H new ATOM 288 N ASN A 125 10.975 -1.358 -4.198 1.00 0.00 N ATOM 289 CA ASN A 125 11.123 -2.776 -3.892 1.00 0.00 C ATOM 290 C ASN A 125 10.950 -3.624 -5.149 1.00 0.00 C ATOM 291 O ASN A 125 10.918 -3.102 -6.263 1.00 0.00 O ATOM 292 CB ASN A 125 10.105 -3.200 -2.832 1.00 0.00 C ATOM 293 CG ASN A 125 8.738 -3.486 -3.425 1.00 0.00 C ATOM 294 OD1 ASN A 125 8.191 -2.674 -4.172 1.00 0.00 O ATOM 295 ND2 ASN A 125 8.181 -4.645 -3.094 1.00 0.00 N ATOM 0 H ASN A 125 10.142 -0.925 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 125 12.129 -2.935 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.469 -4.090 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.016 -2.413 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.263 -4.893 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 125 8.671 -5.287 -2.471 1.00 0.00 H new ATOM 302 N ASP A 126 10.837 -4.934 -4.960 1.00 0.00 N ATOM 303 CA ASP A 126 10.665 -5.855 -6.078 1.00 0.00 C ATOM 304 C ASP A 126 9.418 -5.504 -6.885 1.00 0.00 C ATOM 305 O ASP A 126 9.421 -5.577 -8.113 1.00 0.00 O ATOM 306 CB ASP A 126 10.569 -7.295 -5.570 1.00 0.00 C ATOM 307 CG ASP A 126 11.885 -8.038 -5.686 1.00 0.00 C ATOM 308 OD1 ASP A 126 12.813 -7.729 -4.909 1.00 0.00 O ATOM 309 OD2 ASP A 126 11.988 -8.930 -6.554 1.00 0.00 O ATOM 0 H ASP A 126 10.861 -5.382 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 126 11.535 -5.764 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.249 -7.289 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.804 -7.827 -6.136 1.00 0.00 H new ATOM 314 N SER A 127 8.355 -5.123 -6.185 1.00 0.00 N ATOM 315 CA SER A 127 7.100 -4.764 -6.835 1.00 0.00 C ATOM 316 C SER A 127 6.187 -4.006 -5.876 1.00 0.00 C ATOM 317 O SER A 127 5.896 -4.477 -4.777 1.00 0.00 O ATOM 318 CB SER A 127 6.390 -6.019 -7.348 1.00 0.00 C ATOM 319 OG SER A 127 5.668 -5.747 -8.536 1.00 0.00 O ATOM 0 H SER A 127 8.337 -5.055 -5.167 1.00 0.00 H new ATOM 0 HA SER A 127 7.330 -4.114 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.123 -6.804 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.710 -6.394 -6.583 1.00 0.00 H new ATOM 0 HG SER A 127 5.225 -6.565 -8.844 1.00 0.00 H new ATOM 325 N MET A 128 5.740 -2.829 -6.301 1.00 0.00 N ATOM 326 CA MET A 128 4.859 -2.005 -5.480 1.00 0.00 C ATOM 327 C MET A 128 3.414 -2.112 -5.957 1.00 0.00 C ATOM 328 O MET A 128 3.152 -2.554 -7.076 1.00 0.00 O ATOM 329 CB MET A 128 5.314 -0.545 -5.515 1.00 0.00 C ATOM 330 CG MET A 128 6.764 -0.350 -5.104 1.00 0.00 C ATOM 331 SD MET A 128 7.286 1.374 -5.195 1.00 0.00 S ATOM 332 CE MET A 128 7.003 1.903 -3.508 1.00 0.00 C ATOM 0 H MET A 128 5.973 -2.424 -7.208 1.00 0.00 H new ATOM 0 HA MET A 128 4.912 -2.370 -4.454 1.00 0.00 H new ATOM 0 HB2 MET A 128 5.175 -0.154 -6.523 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.676 0.042 -4.854 1.00 0.00 H new ATOM 0 HG2 MET A 128 6.901 -0.714 -4.086 1.00 0.00 H new ATOM 0 HG3 MET A 128 7.404 -0.954 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 128 7.601 2.790 -3.300 1.00 0.00 H new ATOM 0 HE2 MET A 128 5.947 2.137 -3.372 1.00 0.00 H new ATOM 0 HE3 MET A 128 7.289 1.104 -2.823 1.00 0.00 H new ATOM 342 N ILE A 129 2.482 -1.706 -5.102 1.00 0.00 N ATOM 343 CA ILE A 129 1.065 -1.755 -5.438 1.00 0.00 C ATOM 344 C ILE A 129 0.291 -0.655 -4.720 1.00 0.00 C ATOM 345 O ILE A 129 0.458 -0.448 -3.519 1.00 0.00 O ATOM 346 CB ILE A 129 0.448 -3.120 -5.077 1.00 0.00 C ATOM 347 CG1 ILE A 129 -1.058 -3.110 -5.344 1.00 0.00 C ATOM 348 CG2 ILE A 129 0.732 -3.460 -3.621 1.00 0.00 C ATOM 349 CD1 ILE A 129 -1.688 -4.485 -5.305 1.00 0.00 C ATOM 0 H ILE A 129 2.683 -1.339 -4.172 1.00 0.00 H new ATOM 0 HA ILE A 129 0.991 -1.604 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 129 0.903 -3.886 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.546 -2.475 -4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -1.243 -2.662 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.290 -4.427 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.809 -3.503 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.300 -2.693 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.757 -4.401 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -1.227 -5.118 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.535 -4.928 -4.321 1.00 0.00 H new ATOM 361 N GLN A 130 -0.557 0.047 -5.465 1.00 0.00 N ATOM 362 CA GLN A 130 -1.358 1.126 -4.899 1.00 0.00 C ATOM 363 C GLN A 130 -2.672 0.592 -4.338 1.00 0.00 C ATOM 364 O GLN A 130 -3.281 -0.313 -4.909 1.00 0.00 O ATOM 365 CB GLN A 130 -1.638 2.192 -5.959 1.00 0.00 C ATOM 366 CG GLN A 130 -2.674 3.219 -5.531 1.00 0.00 C ATOM 367 CD GLN A 130 -2.473 4.565 -6.200 1.00 0.00 C ATOM 368 OE1 GLN A 130 -2.447 5.625 -5.402 1.00 0.00 O flip ATOM 369 NE2 GLN A 130 -2.343 4.650 -7.422 1.00 0.00 N flip ATOM 0 H GLN A 130 -0.707 -0.112 -6.461 1.00 0.00 H new ATOM 0 HA GLN A 130 -0.792 1.575 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -0.707 2.706 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -1.978 1.704 -6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -3.670 2.845 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.630 3.345 -4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -2.369 3.808 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -2.209 5.562 -7.858 1.00 0.00 H new ATOM 378 N CYS A 131 -3.104 1.159 -3.216 1.00 0.00 N ATOM 379 CA CYS A 131 -4.345 0.740 -2.577 1.00 0.00 C ATOM 380 C CYS A 131 -5.519 0.846 -3.546 1.00 0.00 C ATOM 381 O CYS A 131 -5.515 1.678 -4.452 1.00 0.00 O ATOM 382 CB CYS A 131 -4.617 1.592 -1.335 1.00 0.00 C ATOM 383 SG CYS A 131 -6.060 1.052 -0.364 1.00 0.00 S ATOM 0 H CYS A 131 -2.613 1.910 -2.731 1.00 0.00 H new ATOM 0 HA CYS A 131 -4.236 -0.303 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -3.735 1.574 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.767 2.627 -1.643 1.00 0.00 H new ATOM 0 HG CYS A 131 -6.539 -0.045 -0.872 1.00 0.00 H new ATOM 388 N GLU A 132 -6.522 -0.004 -3.347 1.00 0.00 N ATOM 389 CA GLU A 132 -7.702 -0.006 -4.204 1.00 0.00 C ATOM 390 C GLU A 132 -8.760 0.958 -3.675 1.00 0.00 C ATOM 391 O GLU A 132 -9.938 0.852 -4.017 1.00 0.00 O ATOM 392 CB GLU A 132 -8.286 -1.417 -4.302 1.00 0.00 C ATOM 393 CG GLU A 132 -8.086 -2.065 -5.662 1.00 0.00 C ATOM 394 CD GLU A 132 -9.183 -1.707 -6.646 1.00 0.00 C ATOM 395 OE1 GLU A 132 -10.337 -1.520 -6.207 1.00 0.00 O ATOM 396 OE2 GLU A 132 -8.886 -1.613 -7.855 1.00 0.00 O ATOM 0 H GLU A 132 -6.541 -0.699 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.398 0.324 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.827 -2.045 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.353 -1.376 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.123 -1.757 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.049 -3.148 -5.543 1.00 0.00 H new ATOM 403 N ASP A 133 -8.331 1.898 -2.839 1.00 0.00 N ATOM 404 CA ASP A 133 -9.241 2.881 -2.263 1.00 0.00 C ATOM 405 C ASP A 133 -8.838 4.296 -2.667 1.00 0.00 C ATOM 406 O ASP A 133 -7.792 4.795 -2.254 1.00 0.00 O ATOM 407 CB ASP A 133 -9.258 2.759 -0.738 1.00 0.00 C ATOM 408 CG ASP A 133 -10.151 3.796 -0.085 1.00 0.00 C ATOM 409 OD1 ASP A 133 -11.271 4.019 -0.590 1.00 0.00 O ATOM 410 OD2 ASP A 133 -9.729 4.385 0.932 1.00 0.00 O ATOM 0 H ASP A 133 -7.359 2.000 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.242 2.683 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.600 1.762 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.243 2.866 -0.356 1.00 0.00 H new ATOM 415 N GLN A 134 -9.675 4.935 -3.478 1.00 0.00 N ATOM 416 CA GLN A 134 -9.405 6.291 -3.940 1.00 0.00 C ATOM 417 C GLN A 134 -9.273 7.251 -2.762 1.00 0.00 C ATOM 418 O GLN A 134 -8.659 8.312 -2.878 1.00 0.00 O ATOM 419 CB GLN A 134 -10.517 6.765 -4.877 1.00 0.00 C ATOM 420 CG GLN A 134 -10.318 8.183 -5.389 1.00 0.00 C ATOM 421 CD GLN A 134 -11.316 9.161 -4.801 1.00 0.00 C ATOM 422 OE1 GLN A 134 -12.381 9.398 -5.371 1.00 0.00 O ATOM 423 NE2 GLN A 134 -10.975 9.735 -3.653 1.00 0.00 N ATOM 0 H GLN A 134 -10.546 4.535 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 134 -8.461 6.281 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -10.578 6.086 -5.727 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -11.471 6.707 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -9.307 8.513 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -10.406 8.189 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -10.082 9.509 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -11.606 10.402 -3.209 1.00 0.00 H new ATOM 432 N ARG A 135 -9.854 6.872 -1.628 1.00 0.00 N ATOM 433 CA ARG A 135 -9.803 7.700 -0.429 1.00 0.00 C ATOM 434 C ARG A 135 -8.547 7.402 0.385 1.00 0.00 C ATOM 435 O ARG A 135 -8.394 7.882 1.508 1.00 0.00 O ATOM 436 CB ARG A 135 -11.048 7.468 0.430 1.00 0.00 C ATOM 437 CG ARG A 135 -12.330 7.979 -0.206 1.00 0.00 C ATOM 438 CD ARG A 135 -13.538 7.703 0.676 1.00 0.00 C ATOM 439 NE ARG A 135 -14.746 8.345 0.167 1.00 0.00 N ATOM 440 CZ ARG A 135 -15.866 8.466 0.870 1.00 0.00 C ATOM 441 NH1 ARG A 135 -15.931 7.992 2.107 1.00 0.00 N ATOM 442 NH2 ARG A 135 -16.925 9.063 0.337 1.00 0.00 N ATOM 0 H ARG A 135 -10.365 5.997 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.774 8.744 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.150 6.401 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.910 7.958 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.246 9.051 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.471 7.503 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.700 6.627 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.337 8.058 1.687 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.729 8.721 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.119 7.533 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.793 8.086 2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.879 9.430 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.785 9.155 0.878 1.00 0.00 H new ATOM 456 N CYS A 136 -7.652 6.605 -0.190 1.00 0.00 N ATOM 457 CA CYS A 136 -6.410 6.241 0.481 1.00 0.00 C ATOM 458 C CYS A 136 -5.203 6.558 -0.398 1.00 0.00 C ATOM 459 O CYS A 136 -4.331 7.336 -0.014 1.00 0.00 O ATOM 460 CB CYS A 136 -6.417 4.754 0.841 1.00 0.00 C ATOM 461 SG CYS A 136 -5.976 4.406 2.574 1.00 0.00 S ATOM 0 H CYS A 136 -7.764 6.199 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 136 -6.335 6.829 1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -7.408 4.347 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -5.720 4.230 0.188 1.00 0.00 H new ATOM 0 HG CYS A 136 -6.654 3.381 2.997 1.00 0.00 H new ATOM 466 N GLN A 137 -5.163 5.948 -1.578 1.00 0.00 N ATOM 467 CA GLN A 137 -4.063 6.164 -2.512 1.00 0.00 C ATOM 468 C GLN A 137 -2.717 5.959 -1.824 1.00 0.00 C ATOM 469 O GLN A 137 -1.898 6.876 -1.754 1.00 0.00 O ATOM 470 CB GLN A 137 -4.138 7.573 -3.103 1.00 0.00 C ATOM 471 CG GLN A 137 -5.412 7.836 -3.889 1.00 0.00 C ATOM 472 CD GLN A 137 -5.213 7.698 -5.386 1.00 0.00 C ATOM 473 OE1 GLN A 137 -5.056 8.691 -6.097 1.00 0.00 O ATOM 474 NE2 GLN A 137 -5.219 6.462 -5.873 1.00 0.00 N ATOM 0 H GLN A 137 -5.878 5.301 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 137 -4.154 5.435 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -4.062 8.301 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -3.279 7.730 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -6.185 7.140 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -5.772 8.840 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.352 5.668 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -5.090 6.307 -6.873 1.00 0.00 H new ATOM 483 N VAL A 138 -2.495 4.751 -1.318 1.00 0.00 N ATOM 484 CA VAL A 138 -1.248 4.425 -0.637 1.00 0.00 C ATOM 485 C VAL A 138 -0.564 3.227 -1.285 1.00 0.00 C ATOM 486 O VAL A 138 -1.156 2.155 -1.412 1.00 0.00 O ATOM 487 CB VAL A 138 -1.486 4.121 0.855 1.00 0.00 C ATOM 488 CG1 VAL A 138 -1.761 5.404 1.624 1.00 0.00 C ATOM 489 CG2 VAL A 138 -2.631 3.134 1.021 1.00 0.00 C ATOM 0 H VAL A 138 -3.163 3.981 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.602 5.299 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.583 3.667 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.927 5.170 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.906 6.074 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.648 5.889 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.785 2.931 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -3.541 3.558 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.388 2.205 0.505 1.00 0.00 H new ATOM 499 N TRP A 139 0.686 3.416 -1.694 1.00 0.00 N ATOM 500 CA TRP A 139 1.451 2.349 -2.329 1.00 0.00 C ATOM 501 C TRP A 139 2.172 1.501 -1.288 1.00 0.00 C ATOM 502 O TRP A 139 2.671 2.021 -0.290 1.00 0.00 O ATOM 503 CB TRP A 139 2.463 2.938 -3.315 1.00 0.00 C ATOM 504 CG TRP A 139 1.824 3.685 -4.446 1.00 0.00 C ATOM 505 CD1 TRP A 139 0.968 4.745 -4.349 1.00 0.00 C ATOM 506 CD2 TRP A 139 1.989 3.427 -5.845 1.00 0.00 C ATOM 507 NE1 TRP A 139 0.591 5.162 -5.603 1.00 0.00 N ATOM 508 CE2 TRP A 139 1.205 4.370 -6.537 1.00 0.00 C ATOM 509 CE3 TRP A 139 2.725 2.494 -6.579 1.00 0.00 C ATOM 510 CZ2 TRP A 139 1.136 4.403 -7.928 1.00 0.00 C ATOM 511 CZ3 TRP A 139 2.655 2.528 -7.959 1.00 0.00 C ATOM 512 CH2 TRP A 139 1.866 3.478 -8.622 1.00 0.00 C ATOM 0 H TRP A 139 1.191 4.297 -1.597 1.00 0.00 H new ATOM 0 HA TRP A 139 0.754 1.709 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.134 3.609 -2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.075 2.133 -3.721 1.00 0.00 H new ATOM 0 HD1 TRP A 139 0.636 5.190 -3.423 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -0.043 5.935 -5.805 1.00 0.00 H new ATOM 0 HE3 TRP A 139 3.338 1.759 -6.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 0.527 5.133 -8.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 3.218 1.810 -8.537 1.00 0.00 H new ATOM 0 HH2 TRP A 139 1.834 3.480 -9.702 1.00 0.00 H new ATOM 523 N GLN A 140 2.223 0.195 -1.527 1.00 0.00 N ATOM 524 CA GLN A 140 2.883 -0.724 -0.607 1.00 0.00 C ATOM 525 C GLN A 140 3.692 -1.769 -1.369 1.00 0.00 C ATOM 526 O GLN A 140 3.520 -1.943 -2.576 1.00 0.00 O ATOM 527 CB GLN A 140 1.851 -1.414 0.287 1.00 0.00 C ATOM 528 CG GLN A 140 1.171 -0.473 1.268 1.00 0.00 C ATOM 529 CD GLN A 140 0.784 -1.159 2.563 1.00 0.00 C ATOM 530 OE1 GLN A 140 0.923 -2.375 2.700 1.00 0.00 O ATOM 531 NE2 GLN A 140 0.296 -0.382 3.523 1.00 0.00 N ATOM 0 H GLN A 140 1.816 -0.251 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 140 3.565 -0.146 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 140 1.092 -1.881 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 140 2.341 -2.214 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 140 1.838 0.360 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 140 0.279 -0.053 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 140 0.198 0.621 3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 140 0.019 -0.788 4.417 1.00 0.00 H new ATOM 540 N HIS A 141 4.574 -2.463 -0.657 1.00 0.00 N ATOM 541 CA HIS A 141 5.410 -3.491 -1.266 1.00 0.00 C ATOM 542 C HIS A 141 4.649 -4.808 -1.386 1.00 0.00 C ATOM 543 O HIS A 141 4.312 -5.437 -0.382 1.00 0.00 O ATOM 544 CB HIS A 141 6.682 -3.697 -0.444 1.00 0.00 C ATOM 545 CG HIS A 141 7.596 -2.511 -0.448 1.00 0.00 C ATOM 546 ND1 HIS A 141 8.547 -2.290 0.526 1.00 0.00 N ATOM 547 CD2 HIS A 141 7.702 -1.477 -1.315 1.00 0.00 C ATOM 548 CE1 HIS A 141 9.197 -1.172 0.259 1.00 0.00 C ATOM 549 NE2 HIS A 141 8.704 -0.659 -0.854 1.00 0.00 N ATOM 0 H HIS A 141 4.728 -2.332 0.343 1.00 0.00 H new ATOM 0 HA HIS A 141 5.684 -3.157 -2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 141 6.406 -3.929 0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 141 7.220 -4.561 -0.833 1.00 0.00 H new ATOM 0 HD1 HIS A 141 8.721 -2.896 1.328 1.00 0.00 H new ATOM 0 HD2 HIS A 141 7.109 -1.324 -2.204 1.00 0.00 H new ATOM 0 HE1 HIS A 141 9.996 -0.749 0.850 1.00 0.00 H new ATOM 557 N LEU A 142 4.381 -5.220 -2.620 1.00 0.00 N ATOM 558 CA LEU A 142 3.659 -6.463 -2.873 1.00 0.00 C ATOM 559 C LEU A 142 4.352 -7.642 -2.198 1.00 0.00 C ATOM 560 O LEU A 142 3.701 -8.506 -1.614 1.00 0.00 O ATOM 561 CB LEU A 142 3.548 -6.715 -4.377 1.00 0.00 C ATOM 562 CG LEU A 142 2.199 -6.380 -5.016 1.00 0.00 C ATOM 563 CD1 LEU A 142 2.227 -6.674 -6.508 1.00 0.00 C ATOM 564 CD2 LEU A 142 1.081 -7.159 -4.338 1.00 0.00 C ATOM 0 H LEU A 142 4.653 -4.712 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 142 2.658 -6.364 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 142 4.320 -6.134 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 142 3.766 -7.766 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 142 2.008 -5.315 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.259 -6.430 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.002 -6.072 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.440 -7.731 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.128 -6.909 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.267 -8.228 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.046 -6.899 -3.280 1.00 0.00 H new ATOM 576 N ASN A 143 5.679 -7.669 -2.281 1.00 0.00 N ATOM 577 CA ASN A 143 6.461 -8.741 -1.677 1.00 0.00 C ATOM 578 C ASN A 143 6.319 -8.729 -0.158 1.00 0.00 C ATOM 579 O ASN A 143 6.537 -9.743 0.505 1.00 0.00 O ATOM 580 CB ASN A 143 7.935 -8.605 -2.064 1.00 0.00 C ATOM 581 CG ASN A 143 8.291 -9.426 -3.288 1.00 0.00 C ATOM 582 OD1 ASN A 143 8.730 -10.570 -3.175 1.00 0.00 O ATOM 583 ND2 ASN A 143 8.101 -8.843 -4.466 1.00 0.00 N ATOM 0 H ASN A 143 6.234 -6.961 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 143 6.080 -9.691 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 143 8.162 -7.556 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 143 8.558 -8.918 -1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 143 8.321 -9.346 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 143 7.735 -7.892 -4.511 1.00 0.00 H new ATOM 590 N CYS A 144 5.951 -7.574 0.387 1.00 0.00 N ATOM 591 CA CYS A 144 5.778 -7.429 1.827 1.00 0.00 C ATOM 592 C CYS A 144 4.360 -7.806 2.246 1.00 0.00 C ATOM 593 O CYS A 144 4.138 -8.294 3.355 1.00 0.00 O ATOM 594 CB CYS A 144 6.084 -5.992 2.256 1.00 0.00 C ATOM 595 SG CYS A 144 7.855 -5.567 2.224 1.00 0.00 S ATOM 0 H CYS A 144 5.767 -6.725 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 144 6.475 -8.105 2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 144 5.545 -5.306 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 144 5.702 -5.836 3.265 1.00 0.00 H new ATOM 0 HG CYS A 144 8.035 -4.414 2.796 1.00 0.00 H new ATOM 600 N VAL A 145 3.404 -7.577 1.352 1.00 0.00 N ATOM 601 CA VAL A 145 2.008 -7.894 1.627 1.00 0.00 C ATOM 602 C VAL A 145 1.585 -9.175 0.917 1.00 0.00 C ATOM 603 O VAL A 145 0.395 -9.478 0.816 1.00 0.00 O ATOM 604 CB VAL A 145 1.076 -6.747 1.192 1.00 0.00 C ATOM 605 CG1 VAL A 145 1.215 -5.560 2.132 1.00 0.00 C ATOM 606 CG2 VAL A 145 1.369 -6.338 -0.244 1.00 0.00 C ATOM 0 H VAL A 145 3.571 -7.173 0.430 1.00 0.00 H new ATOM 0 HA VAL A 145 1.921 -8.034 2.705 1.00 0.00 H new ATOM 0 HB VAL A 145 0.046 -7.100 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 145 0.549 -4.760 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 145 0.951 -5.865 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.245 -5.203 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 145 0.702 -5.527 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 145 2.403 -6.003 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 145 1.212 -7.191 -0.904 1.00 0.00 H new ATOM 616 N LEU A 146 2.566 -9.926 0.429 1.00 0.00 N ATOM 617 CA LEU A 146 2.296 -11.177 -0.272 1.00 0.00 C ATOM 618 C LEU A 146 2.396 -12.365 0.679 1.00 0.00 C ATOM 619 O LEU A 146 3.478 -12.693 1.166 1.00 0.00 O ATOM 620 CB LEU A 146 3.274 -11.354 -1.434 1.00 0.00 C ATOM 621 CG LEU A 146 2.708 -11.103 -2.832 1.00 0.00 C ATOM 622 CD1 LEU A 146 3.833 -10.925 -3.840 1.00 0.00 C ATOM 623 CD2 LEU A 146 1.791 -12.244 -3.250 1.00 0.00 C ATOM 0 H LEU A 146 3.556 -9.691 0.506 1.00 0.00 H new ATOM 0 HA LEU A 146 1.280 -11.134 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 146 4.117 -10.681 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.667 -12.370 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 146 2.123 -10.184 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.411 -10.747 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 146 4.450 -10.074 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.446 -11.826 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 146 1.398 -12.048 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 146 2.353 -13.178 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 146 0.965 -12.324 -2.544 1.00 0.00 H new ATOM 759 N GLU A 156 0.614 -15.237 -3.078 1.00 0.00 N ATOM 760 CA GLU A 156 -0.640 -15.005 -3.785 1.00 0.00 C ATOM 761 C GLU A 156 -0.873 -13.513 -4.004 1.00 0.00 C ATOM 762 O GLU A 156 -1.019 -12.749 -3.050 1.00 0.00 O ATOM 763 CB GLU A 156 -1.810 -15.605 -3.002 1.00 0.00 C ATOM 764 CG GLU A 156 -3.168 -15.311 -3.618 1.00 0.00 C ATOM 765 CD GLU A 156 -4.276 -16.154 -3.016 1.00 0.00 C ATOM 766 OE1 GLU A 156 -4.625 -15.924 -1.840 1.00 0.00 O ATOM 767 OE2 GLU A 156 -4.794 -17.044 -3.723 1.00 0.00 O ATOM 0 HA GLU A 156 -0.575 -15.492 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -1.676 -16.685 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.791 -15.218 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -3.404 -14.256 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -3.122 -15.491 -4.692 1.00 0.00 H new ATOM 774 N VAL A 157 -0.905 -13.105 -5.269 1.00 0.00 N ATOM 775 CA VAL A 157 -1.119 -11.705 -5.615 1.00 0.00 C ATOM 776 C VAL A 157 -2.550 -11.468 -6.085 1.00 0.00 C ATOM 777 O VAL A 157 -2.889 -11.673 -7.251 1.00 0.00 O ATOM 778 CB VAL A 157 -0.146 -11.243 -6.716 1.00 0.00 C ATOM 779 CG1 VAL A 157 -0.305 -9.753 -6.979 1.00 0.00 C ATOM 780 CG2 VAL A 157 1.288 -11.576 -6.333 1.00 0.00 C ATOM 0 H VAL A 157 -0.785 -13.724 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.935 -11.124 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 157 -0.385 -11.777 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 157 0.391 -9.445 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.326 -9.547 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -0.094 -9.198 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 157 1.962 -11.243 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 157 1.542 -11.071 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.389 -12.653 -6.201 1.00 0.00 H new ATOM 790 N PRO A 158 -3.412 -11.025 -5.157 1.00 0.00 N ATOM 791 CA PRO A 158 -4.821 -10.750 -5.453 1.00 0.00 C ATOM 792 C PRO A 158 -4.998 -9.525 -6.343 1.00 0.00 C ATOM 793 O PRO A 158 -4.102 -8.691 -6.478 1.00 0.00 O ATOM 794 CB PRO A 158 -5.431 -10.500 -4.072 1.00 0.00 C ATOM 795 CG PRO A 158 -4.291 -10.037 -3.232 1.00 0.00 C ATOM 796 CD PRO A 158 -3.077 -10.759 -3.748 1.00 0.00 C ATOM 0 HA PRO A 158 -5.290 -11.568 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -6.220 -9.749 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -5.878 -11.408 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -4.164 -8.957 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.463 -10.265 -2.180 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -2.178 -10.150 -3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -2.894 -11.682 -3.197 1.00 0.00 H new ATOM 804 N PRO A 159 -6.180 -9.410 -6.966 1.00 0.00 N ATOM 805 CA PRO A 159 -6.502 -8.289 -7.854 1.00 0.00 C ATOM 806 C PRO A 159 -6.664 -6.977 -7.094 1.00 0.00 C ATOM 807 O PRO A 159 -6.153 -5.938 -7.513 1.00 0.00 O ATOM 808 CB PRO A 159 -7.831 -8.708 -8.487 1.00 0.00 C ATOM 809 CG PRO A 159 -8.441 -9.645 -7.502 1.00 0.00 C ATOM 810 CD PRO A 159 -7.294 -10.366 -6.852 1.00 0.00 C ATOM 0 HA PRO A 159 -5.710 -8.102 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 159 -8.474 -7.846 -8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 159 -7.675 -9.193 -9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 159 -9.031 -9.104 -6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 159 -9.114 -10.347 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 159 -7.510 -10.609 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 159 -7.071 -11.305 -7.359 1.00 0.00 H new ATOM 818 N VAL A 160 -7.380 -7.030 -5.975 1.00 0.00 N ATOM 819 CA VAL A 160 -7.608 -5.846 -5.156 1.00 0.00 C ATOM 820 C VAL A 160 -6.751 -5.876 -3.895 1.00 0.00 C ATOM 821 O VAL A 160 -6.736 -6.867 -3.165 1.00 0.00 O ATOM 822 CB VAL A 160 -9.089 -5.719 -4.754 1.00 0.00 C ATOM 823 CG1 VAL A 160 -9.277 -4.582 -3.760 1.00 0.00 C ATOM 824 CG2 VAL A 160 -9.959 -5.511 -5.985 1.00 0.00 C ATOM 0 H VAL A 160 -7.812 -7.881 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.328 -4.984 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 160 -9.397 -6.646 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -10.330 -4.507 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -8.684 -4.778 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -8.952 -3.645 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -11.002 -5.423 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -9.652 -4.599 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -9.847 -6.361 -6.658 1.00 0.00 H new ATOM 834 N PHE A 161 -6.039 -4.783 -3.645 1.00 0.00 N ATOM 835 CA PHE A 161 -5.178 -4.684 -2.471 1.00 0.00 C ATOM 836 C PHE A 161 -5.593 -3.509 -1.591 1.00 0.00 C ATOM 837 O PHE A 161 -5.700 -2.375 -2.059 1.00 0.00 O ATOM 838 CB PHE A 161 -3.717 -4.526 -2.896 1.00 0.00 C ATOM 839 CG PHE A 161 -2.834 -3.973 -1.814 1.00 0.00 C ATOM 840 CD1 PHE A 161 -2.208 -4.820 -0.913 1.00 0.00 C ATOM 841 CD2 PHE A 161 -2.629 -2.608 -1.699 1.00 0.00 C ATOM 842 CE1 PHE A 161 -1.396 -4.313 0.084 1.00 0.00 C ATOM 843 CE2 PHE A 161 -1.817 -2.096 -0.704 1.00 0.00 C ATOM 844 CZ PHE A 161 -1.199 -2.950 0.188 1.00 0.00 C ATOM 0 H PHE A 161 -6.040 -3.953 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 161 -5.284 -5.603 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -3.331 -5.496 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.669 -3.869 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -2.356 -5.887 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -3.109 -1.936 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -0.916 -4.983 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.666 -1.030 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 161 -0.563 -2.553 0.965 1.00 0.00 H new ATOM 854 N TYR A 162 -5.825 -3.788 -0.313 1.00 0.00 N ATOM 855 CA TYR A 162 -6.230 -2.756 0.634 1.00 0.00 C ATOM 856 C TYR A 162 -5.232 -2.647 1.782 1.00 0.00 C ATOM 857 O TYR A 162 -4.978 -3.618 2.495 1.00 0.00 O ATOM 858 CB TYR A 162 -7.625 -3.059 1.183 1.00 0.00 C ATOM 859 CG TYR A 162 -8.733 -2.837 0.179 1.00 0.00 C ATOM 860 CD1 TYR A 162 -8.820 -1.652 -0.540 1.00 0.00 C ATOM 861 CD2 TYR A 162 -9.693 -3.815 -0.053 1.00 0.00 C ATOM 862 CE1 TYR A 162 -9.831 -1.445 -1.458 1.00 0.00 C ATOM 863 CE2 TYR A 162 -10.707 -3.618 -0.970 1.00 0.00 C ATOM 864 CZ TYR A 162 -10.772 -2.431 -1.670 1.00 0.00 C ATOM 865 OH TYR A 162 -11.780 -2.230 -2.585 1.00 0.00 O ATOM 0 H TYR A 162 -5.739 -4.721 0.091 1.00 0.00 H new ATOM 0 HA TYR A 162 -6.253 -1.803 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 162 -7.656 -4.094 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 162 -7.807 -2.432 2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 162 -8.084 -0.878 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 162 -9.645 -4.745 0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 162 -9.884 -0.516 -2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 162 -11.445 -4.389 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 162 -12.357 -3.021 -2.615 1.00 0.00 H new ATOM 875 N CYS A 163 -4.668 -1.456 1.955 1.00 0.00 N ATOM 876 CA CYS A 163 -3.697 -1.217 3.016 1.00 0.00 C ATOM 877 C CYS A 163 -4.289 -1.551 4.382 1.00 0.00 C ATOM 878 O CYS A 163 -5.423 -2.019 4.479 1.00 0.00 O ATOM 879 CB CYS A 163 -3.233 0.241 2.992 1.00 0.00 C ATOM 880 SG CYS A 163 -4.436 1.415 3.695 1.00 0.00 S ATOM 0 H CYS A 163 -4.867 -0.642 1.374 1.00 0.00 H new ATOM 0 HA CYS A 163 -2.840 -1.868 2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -2.297 0.322 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -3.022 0.527 1.962 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.695 2.344 2.824 1.00 0.00 H new ATOM 885 N GLU A 164 -3.513 -1.308 5.433 1.00 0.00 N ATOM 886 CA GLU A 164 -3.961 -1.585 6.793 1.00 0.00 C ATOM 887 C GLU A 164 -5.210 -0.775 7.129 1.00 0.00 C ATOM 888 O GLU A 164 -6.182 -1.306 7.668 1.00 0.00 O ATOM 889 CB GLU A 164 -2.849 -1.267 7.795 1.00 0.00 C ATOM 890 CG GLU A 164 -2.304 0.145 7.671 1.00 0.00 C ATOM 891 CD GLU A 164 -1.056 0.364 8.505 1.00 0.00 C ATOM 892 OE1 GLU A 164 -0.977 -0.204 9.614 1.00 0.00 O ATOM 893 OE2 GLU A 164 -0.158 1.102 8.047 1.00 0.00 O ATOM 0 H GLU A 164 -2.572 -0.920 5.369 1.00 0.00 H new ATOM 0 HA GLU A 164 -4.207 -2.645 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -3.230 -1.413 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -2.033 -1.976 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -2.079 0.353 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -3.072 0.855 7.979 1.00 0.00 H new ATOM 900 N LEU A 165 -5.176 0.514 6.809 1.00 0.00 N ATOM 901 CA LEU A 165 -6.305 1.399 7.077 1.00 0.00 C ATOM 902 C LEU A 165 -7.599 0.816 6.517 1.00 0.00 C ATOM 903 O LEU A 165 -8.560 0.590 7.253 1.00 0.00 O ATOM 904 CB LEU A 165 -6.050 2.780 6.470 1.00 0.00 C ATOM 905 CG LEU A 165 -4.659 3.370 6.706 1.00 0.00 C ATOM 906 CD1 LEU A 165 -4.581 4.787 6.158 1.00 0.00 C ATOM 907 CD2 LEU A 165 -4.315 3.349 8.188 1.00 0.00 C ATOM 0 H LEU A 165 -4.379 0.970 6.364 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.410 1.497 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -6.219 2.719 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -6.790 3.473 6.871 1.00 0.00 H new ATOM 0 HG LEU A 165 -3.930 2.757 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.584 5.191 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -4.783 4.775 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -5.320 5.412 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -3.322 3.773 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.047 3.938 8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.329 2.321 8.550 1.00 0.00 H new ATOM 919 N CYS A 166 -7.616 0.573 5.211 1.00 0.00 N ATOM 920 CA CYS A 166 -8.790 0.015 4.552 1.00 0.00 C ATOM 921 C CYS A 166 -9.052 -1.412 5.024 1.00 0.00 C ATOM 922 O CYS A 166 -10.194 -1.873 5.037 1.00 0.00 O ATOM 923 CB CYS A 166 -8.606 0.035 3.033 1.00 0.00 C ATOM 924 SG CYS A 166 -8.329 1.697 2.340 1.00 0.00 S ATOM 0 H CYS A 166 -6.829 0.754 4.588 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.650 0.630 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -7.761 -0.602 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -9.489 -0.400 2.565 1.00 0.00 H new ATOM 0 HG CYS A 166 -7.509 1.617 1.334 1.00 0.00 H new ATOM 929 N ARG A 167 -7.987 -2.106 5.413 1.00 0.00 N ATOM 930 CA ARG A 167 -8.102 -3.480 5.886 1.00 0.00 C ATOM 931 C ARG A 167 -8.903 -3.544 7.183 1.00 0.00 C ATOM 932 O ARG A 167 -9.862 -4.309 7.296 1.00 0.00 O ATOM 933 CB ARG A 167 -6.713 -4.085 6.101 1.00 0.00 C ATOM 934 CG ARG A 167 -6.204 -4.881 4.910 1.00 0.00 C ATOM 935 CD ARG A 167 -6.040 -6.353 5.252 1.00 0.00 C ATOM 936 NE ARG A 167 -4.702 -6.652 5.757 1.00 0.00 N ATOM 937 CZ ARG A 167 -4.319 -7.861 6.152 1.00 0.00 C ATOM 938 NH1 ARG A 167 -5.167 -8.879 6.100 1.00 0.00 N ATOM 939 NH2 ARG A 167 -3.084 -8.053 6.599 1.00 0.00 N ATOM 0 H ARG A 167 -7.035 -1.739 5.410 1.00 0.00 H new ATOM 0 HA ARG A 167 -8.629 -4.057 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -6.007 -3.284 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -6.740 -4.734 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -6.899 -4.775 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -5.248 -4.474 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -6.781 -6.636 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -6.236 -6.955 4.365 1.00 0.00 H new ATOM 0 HE ARG A 167 -4.025 -5.891 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -6.116 -8.735 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -4.870 -9.806 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -2.429 -7.272 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -2.790 -8.981 6.902 1.00 0.00 H new