USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -164:sc= 0.32 USER MOD Set 1.2: A 71 CYS SG : rot -93:sc= -0.2 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -2.19! X(o=-1.7!,f=-1.8) USER MOD Set 1.4: A 88 CYS SG : rot -27:sc= 0.354 USER MOD Set 2.1: A 40 CYS SG : rot 167:sc= -3.87! USER MOD Set 2.2: A 43 CYS SG : rot -63:sc= -1.01 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -5.58! X(o=-21!,f=-21) USER MOD Set 2.4: A 57 MET CE :methyl 176:sc= -6.94! (180deg=-3.29!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -3.41 X(o=-21,f=-21) USER MOD Set 3.1: A 13 CYS SG : rot -169:sc= 0.851 USER MOD Set 3.2: A 15 CYS SG : rot -64:sc= 0.763 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -0.937 K(o=-2.8,f=-4.6) USER MOD Set 3.4: A 31 MET CE :methyl 170:sc= -0.8 (180deg=-0.913) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -2.67! X(o=-2.8!,f=-3.1) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.039) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0871) USER MOD Single : A 18 SER OG : rot 39:sc= 0.202 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc=-0.00967 (180deg=-0.16) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0611 K(o=-0.061,f=-4.2!) USER MOD Single : A 29 MET CE :methyl 147:sc= -0.353 (180deg=-1.45!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0047 (180deg=-0.118) USER MOD Single : A 51 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-3.7!) USER MOD Single : A 52 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-1.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.598 USER MOD Single : A 69 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= -0.0113 (180deg=-0.666) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.642 K(o=-0.64,f=-0.031) USER MOD Single : A 86 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= -0.228 (180deg=-1.44!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 2.049 6.833 16.756 1.00 0.00 N ATOM 120 CA TYR A 11 3.499 6.770 16.892 1.00 0.00 C ATOM 121 C TYR A 11 4.183 7.002 15.548 1.00 0.00 C ATOM 122 O TYR A 11 3.976 6.269 14.582 1.00 0.00 O ATOM 123 CB TYR A 11 3.920 5.415 17.463 1.00 0.00 C ATOM 124 CG TYR A 11 3.307 5.109 18.811 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.943 4.879 18.941 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.093 5.050 19.956 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.379 4.601 20.171 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.538 4.771 21.190 1.00 0.00 C ATOM 129 CZ TYR A 11 2.181 4.547 21.292 1.00 0.00 C ATOM 130 OH TYR A 11 1.623 4.269 22.519 1.00 0.00 O ATOM 0 HA TYR A 11 3.809 7.559 17.578 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.640 4.631 16.760 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.006 5.390 17.553 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.313 4.918 18.065 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.156 5.225 19.880 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.316 4.427 20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.163 4.729 22.070 1.00 0.00 H new ATOM 0 HH TYR A 11 2.324 4.267 23.204 1.00 0.00 H new ATOM 140 N PRO A 12 5.020 8.049 15.485 1.00 0.00 N ATOM 141 CA PRO A 12 5.753 8.403 14.266 1.00 0.00 C ATOM 142 C PRO A 12 6.840 7.388 13.928 1.00 0.00 C ATOM 143 O PRO A 12 7.728 7.121 14.738 1.00 0.00 O ATOM 144 CB PRO A 12 6.376 9.759 14.609 1.00 0.00 C ATOM 145 CG PRO A 12 6.488 9.760 16.094 1.00 0.00 C ATOM 146 CD PRO A 12 5.315 8.966 16.598 1.00 0.00 C ATOM 0 HA PRO A 12 5.103 8.425 13.391 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.352 9.876 14.138 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.752 10.581 14.259 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.429 9.313 16.415 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.468 10.777 16.486 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.560 8.424 17.511 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.464 9.608 16.826 1.00 0.00 H new ATOM 154 N CYS A 13 6.764 6.826 12.727 1.00 0.00 N ATOM 155 CA CYS A 13 7.741 5.840 12.280 1.00 0.00 C ATOM 156 C CYS A 13 8.837 6.498 11.447 1.00 0.00 C ATOM 157 O CYS A 13 8.622 7.546 10.839 1.00 0.00 O ATOM 158 CB CYS A 13 7.054 4.743 11.465 1.00 0.00 C ATOM 159 SG CYS A 13 8.076 3.257 11.207 1.00 0.00 S ATOM 0 H CYS A 13 6.035 7.036 12.045 1.00 0.00 H new ATOM 0 HA CYS A 13 8.199 5.394 13.163 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.132 4.454 11.970 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.772 5.150 10.494 1.00 0.00 H new ATOM 0 HG CYS A 13 7.508 2.487 10.326 1.00 0.00 H new ATOM 164 N GLN A 14 10.011 5.875 11.424 1.00 0.00 N ATOM 165 CA GLN A 14 11.140 6.401 10.666 1.00 0.00 C ATOM 166 C GLN A 14 10.720 6.760 9.244 1.00 0.00 C ATOM 167 O GLN A 14 11.016 7.850 8.754 1.00 0.00 O ATOM 168 CB GLN A 14 12.279 5.381 10.632 1.00 0.00 C ATOM 169 CG GLN A 14 12.806 5.013 12.010 1.00 0.00 C ATOM 170 CD GLN A 14 14.204 4.429 11.962 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.115 4.913 12.635 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.382 3.382 11.164 1.00 0.00 N ATOM 0 H GLN A 14 10.205 5.006 11.921 1.00 0.00 H new ATOM 0 HA GLN A 14 11.488 7.307 11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.932 4.477 10.131 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.097 5.782 10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.808 5.900 12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.131 4.293 12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.599 3.013 10.624 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.302 2.947 11.091 1.00 0.00 H new ATOM 181 N CYS A 15 10.031 5.835 8.585 1.00 0.00 N ATOM 182 CA CYS A 15 9.571 6.052 7.218 1.00 0.00 C ATOM 183 C CYS A 15 8.674 7.284 7.135 1.00 0.00 C ATOM 184 O CYS A 15 8.653 7.982 6.122 1.00 0.00 O ATOM 185 CB CYS A 15 8.815 4.822 6.711 1.00 0.00 C ATOM 186 SG CYS A 15 7.417 4.321 7.766 1.00 0.00 S ATOM 0 H CYS A 15 9.779 4.927 8.975 1.00 0.00 H new ATOM 0 HA CYS A 15 10.445 6.218 6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.444 5.026 5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.512 3.988 6.630 1.00 0.00 H new ATOM 0 HG CYS A 15 7.862 3.960 8.933 1.00 0.00 H new ATOM 191 N GLY A 16 7.935 7.545 8.209 1.00 0.00 N ATOM 192 CA GLY A 16 7.047 8.692 8.238 1.00 0.00 C ATOM 193 C GLY A 16 5.630 8.319 8.625 1.00 0.00 C ATOM 194 O GLY A 16 4.860 9.165 9.081 1.00 0.00 O ATOM 0 H GLY A 16 7.936 6.982 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.432 9.427 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.039 9.166 7.257 1.00 0.00 H new ATOM 198 N LYS A 17 5.283 7.050 8.443 1.00 0.00 N ATOM 199 CA LYS A 17 3.949 6.565 8.776 1.00 0.00 C ATOM 200 C LYS A 17 3.687 6.681 10.274 1.00 0.00 C ATOM 201 O LYS A 17 4.617 6.816 11.069 1.00 0.00 O ATOM 202 CB LYS A 17 3.787 5.110 8.330 1.00 0.00 C ATOM 203 CG LYS A 17 3.994 4.904 6.840 1.00 0.00 C ATOM 204 CD LYS A 17 3.873 3.439 6.457 1.00 0.00 C ATOM 205 CE LYS A 17 2.430 3.054 6.171 1.00 0.00 C ATOM 206 NZ LYS A 17 1.961 3.592 4.865 1.00 0.00 N ATOM 0 H LYS A 17 5.908 6.338 8.066 1.00 0.00 H new ATOM 0 HA LYS A 17 3.222 7.183 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.498 4.490 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.789 4.765 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.259 5.488 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.978 5.276 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.485 3.240 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.263 2.818 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.337 1.968 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.789 3.429 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.073 3.122 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.799 4.616 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.682 3.414 4.137 1.00 0.00 H new ATOM 220 N SER A 18 2.414 6.626 10.654 1.00 0.00 N ATOM 221 CA SER A 18 2.029 6.727 12.056 1.00 0.00 C ATOM 222 C SER A 18 1.038 5.628 12.428 1.00 0.00 C ATOM 223 O SER A 18 -0.039 5.523 11.841 1.00 0.00 O ATOM 224 CB SER A 18 1.417 8.100 12.342 1.00 0.00 C ATOM 225 OG SER A 18 0.371 8.391 11.431 1.00 0.00 O ATOM 0 H SER A 18 1.632 6.512 10.009 1.00 0.00 H new ATOM 0 HA SER A 18 2.926 6.604 12.663 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.033 8.125 13.362 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.188 8.867 12.273 1.00 0.00 H new ATOM 0 HG SER A 18 -0.151 7.579 11.262 1.00 0.00 H new ATOM 231 N PHE A 19 1.409 4.812 13.409 1.00 0.00 N ATOM 232 CA PHE A 19 0.555 3.720 13.860 1.00 0.00 C ATOM 233 C PHE A 19 -0.147 4.082 15.166 1.00 0.00 C ATOM 234 O PHE A 19 0.221 5.048 15.835 1.00 0.00 O ATOM 235 CB PHE A 19 1.378 2.444 14.047 1.00 0.00 C ATOM 236 CG PHE A 19 2.189 2.071 12.839 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.340 2.774 12.518 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.802 1.019 12.026 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.088 2.433 11.407 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.547 0.674 10.913 1.00 0.00 C ATOM 241 CZ PHE A 19 3.692 1.382 10.605 1.00 0.00 C ATOM 0 H PHE A 19 2.296 4.887 13.907 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.203 3.546 13.096 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.047 2.574 14.898 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.707 1.621 14.292 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.655 3.597 13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.908 0.461 12.264 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.982 2.989 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.234 -0.148 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.277 1.114 9.738 1.00 0.00 H new ATOM 251 N THR A 20 -1.162 3.301 15.522 1.00 0.00 N ATOM 252 CA THR A 20 -1.917 3.539 16.745 1.00 0.00 C ATOM 253 C THR A 20 -1.320 2.770 17.918 1.00 0.00 C ATOM 254 O THR A 20 -1.476 3.163 19.075 1.00 0.00 O ATOM 255 CB THR A 20 -3.395 3.136 16.581 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.968 3.821 15.461 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.187 3.459 17.839 1.00 0.00 C ATOM 0 H THR A 20 -1.480 2.498 14.980 1.00 0.00 H new ATOM 0 HA THR A 20 -1.860 4.608 16.948 1.00 0.00 H new ATOM 0 HB THR A 20 -3.439 2.060 16.410 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.907 3.558 15.362 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.227 3.166 17.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.766 2.914 18.684 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.135 4.530 18.037 1.00 0.00 H new ATOM 265 N HIS A 21 -0.636 1.672 17.613 1.00 0.00 N ATOM 266 CA HIS A 21 -0.014 0.848 18.644 1.00 0.00 C ATOM 267 C HIS A 21 1.507 0.936 18.565 1.00 0.00 C ATOM 268 O HIS A 21 2.084 0.953 17.478 1.00 0.00 O ATOM 269 CB HIS A 21 -0.459 -0.608 18.500 1.00 0.00 C ATOM 270 CG HIS A 21 -1.782 -0.895 19.141 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.973 -0.895 20.506 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.985 -1.192 18.594 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.236 -1.180 20.772 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.871 -1.364 19.629 1.00 0.00 N ATOM 0 H HIS A 21 -0.498 1.332 16.661 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.333 1.224 19.616 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.515 -0.859 17.441 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.298 -1.256 18.942 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.206 -1.278 17.540 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.674 -1.250 21.757 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.859 -1.596 19.531 1.00 0.00 H new ATOM 282 N LYS A 22 2.152 0.994 19.726 1.00 0.00 N ATOM 283 CA LYS A 22 3.606 1.080 19.790 1.00 0.00 C ATOM 284 C LYS A 22 4.253 -0.133 19.130 1.00 0.00 C ATOM 285 O LYS A 22 5.271 -0.011 18.448 1.00 0.00 O ATOM 286 CB LYS A 22 4.067 1.189 21.245 1.00 0.00 C ATOM 287 CG LYS A 22 5.578 1.183 21.407 1.00 0.00 C ATOM 288 CD LYS A 22 6.159 2.579 21.265 1.00 0.00 C ATOM 289 CE LYS A 22 6.163 3.320 22.593 1.00 0.00 C ATOM 290 NZ LYS A 22 7.184 2.775 23.529 1.00 0.00 N ATOM 0 H LYS A 22 1.690 0.983 20.635 1.00 0.00 H new ATOM 0 HA LYS A 22 3.916 1.974 19.249 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.667 2.107 21.676 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.646 0.360 21.814 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.838 0.777 22.385 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.022 0.525 20.660 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.177 2.513 20.881 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.579 3.143 20.535 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.359 4.378 22.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.176 3.250 23.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.385 3.476 24.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.824 1.903 23.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.058 2.565 23.006 1.00 0.00 H new ATOM 304 N SER A 23 3.656 -1.302 19.337 1.00 0.00 N ATOM 305 CA SER A 23 4.176 -2.538 18.763 1.00 0.00 C ATOM 306 C SER A 23 4.229 -2.451 17.241 1.00 0.00 C ATOM 307 O SER A 23 5.247 -2.768 16.626 1.00 0.00 O ATOM 308 CB SER A 23 3.310 -3.726 19.187 1.00 0.00 C ATOM 309 OG SER A 23 3.223 -3.816 20.599 1.00 0.00 O ATOM 0 H SER A 23 2.812 -1.420 19.898 1.00 0.00 H new ATOM 0 HA SER A 23 5.190 -2.684 19.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.311 -3.621 18.764 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.731 -4.648 18.786 1.00 0.00 H new ATOM 0 HG SER A 23 2.663 -4.582 20.844 1.00 0.00 H new ATOM 315 N GLN A 24 3.125 -2.018 16.641 1.00 0.00 N ATOM 316 CA GLN A 24 3.045 -1.890 15.191 1.00 0.00 C ATOM 317 C GLN A 24 4.155 -0.988 14.662 1.00 0.00 C ATOM 318 O GLN A 24 4.776 -1.285 13.641 1.00 0.00 O ATOM 319 CB GLN A 24 1.680 -1.331 14.782 1.00 0.00 C ATOM 320 CG GLN A 24 0.516 -2.229 15.167 1.00 0.00 C ATOM 321 CD GLN A 24 0.615 -3.610 14.551 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.058 -3.765 13.412 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.201 -4.624 15.301 1.00 0.00 N ATOM 0 H GLN A 24 2.274 -1.750 17.136 1.00 0.00 H new ATOM 0 HA GLN A 24 3.169 -2.882 14.757 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.543 -0.354 15.245 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.668 -1.177 13.703 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.477 -2.322 16.252 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.417 -1.762 14.853 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.159 -4.451 16.239 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.243 -5.577 14.939 1.00 0.00 H new ATOM 332 N ARG A 25 4.401 0.113 15.363 1.00 0.00 N ATOM 333 CA ARG A 25 5.436 1.059 14.963 1.00 0.00 C ATOM 334 C ARG A 25 6.826 0.472 15.192 1.00 0.00 C ATOM 335 O ARG A 25 7.729 0.652 14.374 1.00 0.00 O ATOM 336 CB ARG A 25 5.290 2.368 15.742 1.00 0.00 C ATOM 337 CG ARG A 25 6.390 3.375 15.452 1.00 0.00 C ATOM 338 CD ARG A 25 7.570 3.198 16.394 1.00 0.00 C ATOM 339 NE ARG A 25 7.368 3.894 17.662 1.00 0.00 N ATOM 340 CZ ARG A 25 7.663 5.175 17.852 1.00 0.00 C ATOM 341 NH1 ARG A 25 8.169 5.896 16.861 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.450 5.737 19.035 1.00 0.00 N ATOM 0 H ARG A 25 3.898 0.373 16.211 1.00 0.00 H new ATOM 0 HA ARG A 25 5.316 1.262 13.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.326 2.817 15.504 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.284 2.147 16.809 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.726 3.262 14.421 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.994 4.386 15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.726 2.136 16.584 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.475 3.572 15.915 1.00 0.00 H new ATOM 0 HE ARG A 25 6.979 3.368 18.444 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.333 5.467 15.950 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.395 6.880 17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.060 5.185 19.799 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.677 6.721 19.180 1.00 0.00 H new ATOM 356 N ASP A 26 6.990 -0.229 16.308 1.00 0.00 N ATOM 357 CA ASP A 26 8.270 -0.843 16.645 1.00 0.00 C ATOM 358 C ASP A 26 8.696 -1.835 15.567 1.00 0.00 C ATOM 359 O ASP A 26 9.841 -1.821 15.114 1.00 0.00 O ATOM 360 CB ASP A 26 8.181 -1.548 17.999 1.00 0.00 C ATOM 361 CG ASP A 26 9.520 -1.610 18.708 1.00 0.00 C ATOM 362 OD1 ASP A 26 9.978 -0.559 19.203 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.110 -2.709 18.767 1.00 0.00 O ATOM 0 H ASP A 26 6.253 -0.387 16.995 1.00 0.00 H new ATOM 0 HA ASP A 26 9.020 -0.054 16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.462 -1.026 18.631 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.802 -2.560 17.854 1.00 0.00 H new ATOM 368 N ARG A 27 7.768 -2.696 15.162 1.00 0.00 N ATOM 369 CA ARG A 27 8.049 -3.697 14.140 1.00 0.00 C ATOM 370 C ARG A 27 8.361 -3.034 12.801 1.00 0.00 C ATOM 371 O ARG A 27 9.267 -3.459 12.083 1.00 0.00 O ATOM 372 CB ARG A 27 6.859 -4.646 13.986 1.00 0.00 C ATOM 373 CG ARG A 27 5.558 -3.941 13.638 1.00 0.00 C ATOM 374 CD ARG A 27 4.444 -4.936 13.355 1.00 0.00 C ATOM 375 NE ARG A 27 4.499 -5.445 11.987 1.00 0.00 N ATOM 376 CZ ARG A 27 3.447 -5.939 11.344 1.00 0.00 C ATOM 377 NH1 ARG A 27 2.264 -5.990 11.942 1.00 0.00 N ATOM 378 NH2 ARG A 27 3.576 -6.384 10.101 1.00 0.00 N ATOM 0 H ARG A 27 6.815 -2.720 15.526 1.00 0.00 H new ATOM 0 HA ARG A 27 8.922 -4.268 14.456 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.086 -5.376 13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.725 -5.200 14.915 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.265 -3.289 14.461 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.710 -3.305 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.515 -5.769 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.479 -4.458 13.525 1.00 0.00 H new ATOM 0 HE ARG A 27 5.394 -5.420 11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.161 -5.649 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.458 -6.370 11.446 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.484 -6.347 9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.767 -6.763 9.609 1.00 0.00 H new ATOM 392 N HIS A 28 7.606 -1.991 12.472 1.00 0.00 N ATOM 393 CA HIS A 28 7.802 -1.269 11.220 1.00 0.00 C ATOM 394 C HIS A 28 9.111 -0.485 11.245 1.00 0.00 C ATOM 395 O HIS A 28 9.637 -0.105 10.200 1.00 0.00 O ATOM 396 CB HIS A 28 6.630 -0.322 10.964 1.00 0.00 C ATOM 397 CG HIS A 28 6.352 -0.092 9.510 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.688 1.074 8.855 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.768 -0.888 8.584 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.321 0.986 7.589 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.761 -0.195 7.399 1.00 0.00 N ATOM 0 H HIS A 28 6.853 -1.627 13.055 1.00 0.00 H new ATOM 0 HA HIS A 28 7.852 -1.999 10.412 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.736 -0.728 11.437 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.836 0.636 11.442 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.380 -1.883 8.747 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.456 1.750 6.837 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.384 -0.537 6.515 1.00 0.00 H new ATOM 409 N MET A 29 9.628 -0.245 12.445 1.00 0.00 N ATOM 410 CA MET A 29 10.875 0.494 12.605 1.00 0.00 C ATOM 411 C MET A 29 12.067 -0.345 12.154 1.00 0.00 C ATOM 412 O MET A 29 12.802 0.042 11.246 1.00 0.00 O ATOM 413 CB MET A 29 11.058 0.918 14.064 1.00 0.00 C ATOM 414 CG MET A 29 10.552 2.321 14.357 1.00 0.00 C ATOM 415 SD MET A 29 11.306 3.038 15.829 1.00 0.00 S ATOM 416 CE MET A 29 13.031 3.065 15.348 1.00 0.00 C ATOM 0 H MET A 29 9.203 -0.551 13.320 1.00 0.00 H new ATOM 0 HA MET A 29 10.823 1.385 11.979 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.536 0.210 14.708 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.116 0.861 14.320 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.756 2.963 13.500 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.470 2.293 14.485 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.520 3.929 15.797 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.519 2.153 15.691 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.105 3.129 14.262 1.00 0.00 H new ATOM 426 N SER A 30 12.251 -1.495 12.794 1.00 0.00 N ATOM 427 CA SER A 30 13.356 -2.387 12.461 1.00 0.00 C ATOM 428 C SER A 30 13.344 -2.735 10.976 1.00 0.00 C ATOM 429 O SER A 30 14.391 -2.795 10.333 1.00 0.00 O ATOM 430 CB SER A 30 13.276 -3.666 13.297 1.00 0.00 C ATOM 431 OG SER A 30 12.018 -4.298 13.143 1.00 0.00 O ATOM 0 H SER A 30 11.649 -1.831 13.546 1.00 0.00 H new ATOM 0 HA SER A 30 14.289 -1.871 12.688 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.069 -4.350 12.997 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.441 -3.428 14.348 1.00 0.00 H new ATOM 0 HG SER A 30 11.993 -5.113 13.686 1.00 0.00 H new ATOM 437 N MET A 31 12.150 -2.964 10.438 1.00 0.00 N ATOM 438 CA MET A 31 12.001 -3.305 9.028 1.00 0.00 C ATOM 439 C MET A 31 12.859 -2.395 8.154 1.00 0.00 C ATOM 440 O MET A 31 13.239 -2.763 7.042 1.00 0.00 O ATOM 441 CB MET A 31 10.533 -3.199 8.608 1.00 0.00 C ATOM 442 CG MET A 31 9.669 -4.337 9.127 1.00 0.00 C ATOM 443 SD MET A 31 7.910 -4.056 8.847 1.00 0.00 S ATOM 444 CE MET A 31 7.961 -3.009 7.395 1.00 0.00 C ATOM 0 H MET A 31 11.273 -2.920 10.957 1.00 0.00 H new ATOM 0 HA MET A 31 12.338 -4.333 8.891 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.128 -2.253 8.968 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.476 -3.177 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.967 -5.266 8.640 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.847 -4.466 10.195 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.954 -2.894 6.994 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.357 -2.030 7.666 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.603 -3.464 6.641 1.00 0.00 H new ATOM 454 N HIS A 32 13.160 -1.205 8.664 1.00 0.00 N ATOM 455 CA HIS A 32 13.974 -0.242 7.930 1.00 0.00 C ATOM 456 C HIS A 32 15.460 -0.501 8.158 1.00 0.00 C ATOM 457 O HIS A 32 16.283 -0.283 7.268 1.00 0.00 O ATOM 458 CB HIS A 32 13.621 1.184 8.354 1.00 0.00 C ATOM 459 CG HIS A 32 12.172 1.519 8.182 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.508 1.393 6.980 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.258 1.977 9.069 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.248 1.760 7.135 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.070 2.118 8.394 1.00 0.00 N ATOM 0 H HIS A 32 12.853 -0.884 9.582 1.00 0.00 H new ATOM 0 HA HIS A 32 13.762 -0.360 6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.895 1.322 9.400 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.219 1.886 7.773 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.431 2.192 10.113 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.492 1.766 6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.193 2.446 8.799 1.00 0.00 H new ATOM 582 N CYS A 40 18.327 -6.784 -5.115 1.00 0.00 N ATOM 583 CA CYS A 40 18.447 -6.468 -6.533 1.00 0.00 C ATOM 584 C CYS A 40 19.909 -6.474 -6.969 1.00 0.00 C ATOM 585 O CYS A 40 20.666 -5.556 -6.655 1.00 0.00 O ATOM 586 CB CYS A 40 17.822 -5.103 -6.827 1.00 0.00 C ATOM 587 SG CYS A 40 18.124 -4.495 -8.518 1.00 0.00 S ATOM 0 HA CYS A 40 17.914 -7.234 -7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 40 16.746 -5.165 -6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 40 18.213 -4.376 -6.116 1.00 0.00 H new ATOM 0 HG CYS A 40 17.336 -3.491 -8.765 1.00 0.00 H new ATOM 592 N GLY A 41 20.300 -7.517 -7.696 1.00 0.00 N ATOM 593 CA GLY A 41 21.669 -7.624 -8.164 1.00 0.00 C ATOM 594 C GLY A 41 21.926 -6.787 -9.401 1.00 0.00 C ATOM 595 O GLY A 41 22.647 -7.208 -10.306 1.00 0.00 O ATOM 0 H GLY A 41 19.692 -8.290 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.347 -7.311 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.895 -8.668 -8.382 1.00 0.00 H new ATOM 599 N VAL A 42 21.334 -5.598 -9.443 1.00 0.00 N ATOM 600 CA VAL A 42 21.501 -4.699 -10.579 1.00 0.00 C ATOM 601 C VAL A 42 21.890 -3.299 -10.119 1.00 0.00 C ATOM 602 O VAL A 42 22.804 -2.684 -10.670 1.00 0.00 O ATOM 603 CB VAL A 42 20.214 -4.613 -11.421 1.00 0.00 C ATOM 604 CG1 VAL A 42 20.390 -3.626 -12.565 1.00 0.00 C ATOM 605 CG2 VAL A 42 19.828 -5.987 -11.945 1.00 0.00 C ATOM 0 H VAL A 42 20.734 -5.234 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 42 22.301 -5.111 -11.194 1.00 0.00 H new ATOM 0 HB VAL A 42 19.406 -4.253 -10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.471 -3.578 -13.149 1.00 0.00 H new ATOM 0 HG12 VAL A 42 20.616 -2.639 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 42 21.210 -3.953 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.917 -5.908 -12.538 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.633 -6.378 -12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.658 -6.662 -11.106 1.00 0.00 H new ATOM 615 N CYS A 43 21.190 -2.799 -9.106 1.00 0.00 N ATOM 616 CA CYS A 43 21.461 -1.470 -8.570 1.00 0.00 C ATOM 617 C CYS A 43 21.998 -1.558 -7.144 1.00 0.00 C ATOM 618 O CYS A 43 22.842 -0.761 -6.738 1.00 0.00 O ATOM 619 CB CYS A 43 20.191 -0.618 -8.598 1.00 0.00 C ATOM 620 SG CYS A 43 18.939 -1.109 -7.369 1.00 0.00 S ATOM 0 H CYS A 43 20.430 -3.295 -8.639 1.00 0.00 H new ATOM 0 HA CYS A 43 22.219 -1.000 -9.196 1.00 0.00 H new ATOM 0 HB2 CYS A 43 20.462 0.424 -8.429 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.750 -0.675 -9.593 1.00 0.00 H new ATOM 0 HG CYS A 43 18.526 -2.314 -7.628 1.00 0.00 H new ATOM 625 N GLY A 44 21.500 -2.532 -6.389 1.00 0.00 N ATOM 626 CA GLY A 44 21.940 -2.706 -5.018 1.00 0.00 C ATOM 627 C GLY A 44 20.827 -2.468 -4.017 1.00 0.00 C ATOM 628 O GLY A 44 21.074 -2.025 -2.895 1.00 0.00 O ATOM 0 H GLY A 44 20.799 -3.204 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.330 -3.716 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.761 -2.019 -4.813 1.00 0.00 H new ATOM 632 N LYS A 45 19.596 -2.761 -4.423 1.00 0.00 N ATOM 633 CA LYS A 45 18.440 -2.576 -3.554 1.00 0.00 C ATOM 634 C LYS A 45 18.072 -3.879 -2.852 1.00 0.00 C ATOM 635 O LYS A 45 18.740 -4.899 -3.025 1.00 0.00 O ATOM 636 CB LYS A 45 17.245 -2.066 -4.363 1.00 0.00 C ATOM 637 CG LYS A 45 17.148 -0.551 -4.416 1.00 0.00 C ATOM 638 CD LYS A 45 15.707 -0.090 -4.563 1.00 0.00 C ATOM 639 CE LYS A 45 15.597 1.425 -4.484 1.00 0.00 C ATOM 640 NZ LYS A 45 14.362 1.927 -5.149 1.00 0.00 N ATOM 0 H LYS A 45 19.373 -3.128 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 45 18.701 -1.837 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.314 -2.453 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.327 -2.466 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.576 -0.126 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.738 -0.177 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.309 -0.436 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.097 -0.542 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.599 1.735 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.471 1.878 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.324 2.964 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.372 1.653 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.527 1.515 -4.686 1.00 0.00 H new ATOM 654 N LYS A 46 17.007 -3.839 -2.060 1.00 0.00 N ATOM 655 CA LYS A 46 16.548 -5.017 -1.333 1.00 0.00 C ATOM 656 C LYS A 46 15.065 -4.905 -0.996 1.00 0.00 C ATOM 657 O LYS A 46 14.482 -3.822 -1.064 1.00 0.00 O ATOM 658 CB LYS A 46 17.362 -5.198 -0.049 1.00 0.00 C ATOM 659 CG LYS A 46 18.852 -5.359 -0.292 1.00 0.00 C ATOM 660 CD LYS A 46 19.561 -5.909 0.935 1.00 0.00 C ATOM 661 CE LYS A 46 21.061 -5.668 0.867 1.00 0.00 C ATOM 662 NZ LYS A 46 21.717 -6.537 -0.149 1.00 0.00 N ATOM 0 H LYS A 46 16.444 -3.003 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 46 16.692 -5.887 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.199 -4.337 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.993 -6.073 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.014 -6.028 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.284 -4.395 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.156 -5.439 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 46 19.367 -6.978 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.250 -4.622 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.504 -5.855 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.739 -6.343 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.558 -7.536 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.313 -6.340 -1.087 1.00 0.00 H new ATOM 676 N PHE A 47 14.459 -6.030 -0.630 1.00 0.00 N ATOM 677 CA PHE A 47 13.044 -6.058 -0.281 1.00 0.00 C ATOM 678 C PHE A 47 12.727 -7.254 0.611 1.00 0.00 C ATOM 679 O PHE A 47 13.397 -8.285 0.549 1.00 0.00 O ATOM 680 CB PHE A 47 12.186 -6.110 -1.547 1.00 0.00 C ATOM 681 CG PHE A 47 12.517 -5.033 -2.541 1.00 0.00 C ATOM 682 CD1 PHE A 47 13.676 -5.104 -3.297 1.00 0.00 C ATOM 683 CD2 PHE A 47 11.670 -3.952 -2.718 1.00 0.00 C ATOM 684 CE1 PHE A 47 13.983 -4.114 -4.212 1.00 0.00 C ATOM 685 CE2 PHE A 47 11.972 -2.959 -3.631 1.00 0.00 C ATOM 686 CZ PHE A 47 13.130 -3.041 -4.380 1.00 0.00 C ATOM 0 H PHE A 47 14.926 -6.934 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 47 12.813 -5.146 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.312 -7.083 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.136 -6.025 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.346 -5.941 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.763 -3.884 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.890 -4.180 -4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.304 -2.120 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.368 -2.268 -5.095 1.00 0.00 H new ATOM 696 N LYS A 48 11.700 -7.109 1.443 1.00 0.00 N ATOM 697 CA LYS A 48 11.292 -8.176 2.349 1.00 0.00 C ATOM 698 C LYS A 48 10.508 -9.252 1.604 1.00 0.00 C ATOM 699 O LYS A 48 10.736 -10.445 1.798 1.00 0.00 O ATOM 700 CB LYS A 48 10.443 -7.608 3.489 1.00 0.00 C ATOM 701 CG LYS A 48 9.834 -8.674 4.382 1.00 0.00 C ATOM 702 CD LYS A 48 10.796 -9.099 5.479 1.00 0.00 C ATOM 703 CE LYS A 48 10.717 -8.169 6.680 1.00 0.00 C ATOM 704 NZ LYS A 48 9.612 -8.548 7.604 1.00 0.00 N ATOM 0 H LYS A 48 11.135 -6.262 1.508 1.00 0.00 H new ATOM 0 HA LYS A 48 12.192 -8.629 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.061 -6.947 4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.644 -6.999 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.916 -8.294 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.561 -9.541 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.567 -10.118 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.814 -9.106 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.664 -8.191 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.569 -7.145 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.592 -7.890 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.705 -8.503 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.767 -9.516 7.952 1.00 0.00 H new ATOM 718 N MET A 49 9.585 -8.821 0.751 1.00 0.00 N ATOM 719 CA MET A 49 8.769 -9.748 -0.025 1.00 0.00 C ATOM 720 C MET A 49 9.321 -9.906 -1.438 1.00 0.00 C ATOM 721 O MET A 49 9.955 -8.997 -1.974 1.00 0.00 O ATOM 722 CB MET A 49 7.320 -9.261 -0.083 1.00 0.00 C ATOM 723 CG MET A 49 6.722 -8.971 1.284 1.00 0.00 C ATOM 724 SD MET A 49 5.944 -10.421 2.023 1.00 0.00 S ATOM 725 CE MET A 49 5.659 -9.837 3.693 1.00 0.00 C ATOM 0 H MET A 49 9.383 -7.836 0.579 1.00 0.00 H new ATOM 0 HA MET A 49 8.799 -10.719 0.469 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.273 -8.357 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.712 -10.014 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.505 -8.605 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.984 -8.174 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.181 -10.624 4.277 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.611 -9.571 4.153 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.011 -8.961 3.666 1.00 0.00 H new ATOM 735 N LYS A 50 9.078 -11.067 -2.037 1.00 0.00 N ATOM 736 CA LYS A 50 9.549 -11.345 -3.389 1.00 0.00 C ATOM 737 C LYS A 50 8.855 -10.442 -4.404 1.00 0.00 C ATOM 738 O LYS A 50 9.447 -10.054 -5.411 1.00 0.00 O ATOM 739 CB LYS A 50 9.304 -12.813 -3.745 1.00 0.00 C ATOM 740 CG LYS A 50 7.911 -13.084 -4.284 1.00 0.00 C ATOM 741 CD LYS A 50 6.912 -13.308 -3.161 1.00 0.00 C ATOM 742 CE LYS A 50 7.017 -14.715 -2.594 1.00 0.00 C ATOM 743 NZ LYS A 50 6.455 -15.732 -3.526 1.00 0.00 N ATOM 0 H LYS A 50 8.557 -11.831 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 50 10.620 -11.143 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.039 -13.126 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.467 -13.425 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.587 -12.243 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.935 -13.961 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.086 -12.581 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.901 -13.139 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.062 -14.947 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.488 -14.763 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.342 -16.637 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.529 -15.410 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.101 -15.860 -4.331 1.00 0.00 H new ATOM 757 N HIS A 51 7.597 -10.110 -4.130 1.00 0.00 N ATOM 758 CA HIS A 51 6.823 -9.251 -5.019 1.00 0.00 C ATOM 759 C HIS A 51 7.228 -7.790 -4.851 1.00 0.00 C ATOM 760 O HIS A 51 7.086 -6.985 -5.772 1.00 0.00 O ATOM 761 CB HIS A 51 5.328 -9.413 -4.745 1.00 0.00 C ATOM 762 CG HIS A 51 4.993 -9.513 -3.289 1.00 0.00 C ATOM 763 ND1 HIS A 51 4.945 -8.419 -2.451 1.00 0.00 N ATOM 764 CD2 HIS A 51 4.688 -10.586 -2.522 1.00 0.00 C ATOM 765 CE1 HIS A 51 4.626 -8.815 -1.231 1.00 0.00 C ATOM 766 NE2 HIS A 51 4.464 -10.125 -1.248 1.00 0.00 N ATOM 0 H HIS A 51 7.093 -10.423 -3.300 1.00 0.00 H new ATOM 0 HA HIS A 51 7.031 -9.551 -6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.794 -8.565 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.969 -10.307 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.631 -11.613 -2.851 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.517 -8.176 -0.367 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.213 -10.701 -0.445 1.00 0.00 H new ATOM 774 N HIS A 52 7.732 -7.453 -3.668 1.00 0.00 N ATOM 775 CA HIS A 52 8.158 -6.088 -3.378 1.00 0.00 C ATOM 776 C HIS A 52 9.382 -5.713 -4.208 1.00 0.00 C ATOM 777 O HIS A 52 9.620 -4.537 -4.486 1.00 0.00 O ATOM 778 CB HIS A 52 8.469 -5.933 -1.890 1.00 0.00 C ATOM 779 CG HIS A 52 7.276 -5.566 -1.063 1.00 0.00 C ATOM 780 ND1 HIS A 52 7.131 -5.938 0.257 1.00 0.00 N ATOM 781 CD2 HIS A 52 6.167 -4.855 -1.375 1.00 0.00 C ATOM 782 CE1 HIS A 52 5.985 -5.473 0.721 1.00 0.00 C ATOM 783 NE2 HIS A 52 5.381 -4.812 -0.250 1.00 0.00 N ATOM 0 H HIS A 52 7.855 -8.106 -2.895 1.00 0.00 H new ATOM 0 HA HIS A 52 7.342 -5.415 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.887 -6.868 -1.515 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.236 -5.169 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.942 -4.405 -2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.607 -5.610 1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.477 -4.345 -0.176 1.00 0.00 H new ATOM 791 N LEU A 53 10.155 -6.719 -4.601 1.00 0.00 N ATOM 792 CA LEU A 53 11.356 -6.495 -5.398 1.00 0.00 C ATOM 793 C LEU A 53 11.014 -6.403 -6.882 1.00 0.00 C ATOM 794 O LEU A 53 11.581 -5.589 -7.611 1.00 0.00 O ATOM 795 CB LEU A 53 12.365 -7.621 -5.164 1.00 0.00 C ATOM 796 CG LEU A 53 13.530 -7.693 -6.152 1.00 0.00 C ATOM 797 CD1 LEU A 53 14.396 -6.447 -6.048 1.00 0.00 C ATOM 798 CD2 LEU A 53 14.361 -8.944 -5.904 1.00 0.00 C ATOM 0 H LEU A 53 9.972 -7.698 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 53 11.799 -5.549 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.773 -7.513 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.832 -8.571 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 53 13.123 -7.744 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.220 -6.516 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.795 -5.566 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.795 -6.364 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.186 -8.980 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.758 -8.922 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.735 -9.827 -6.029 1.00 0.00 H new ATOM 810 N VAL A 54 10.082 -7.242 -7.323 1.00 0.00 N ATOM 811 CA VAL A 54 9.662 -7.253 -8.719 1.00 0.00 C ATOM 812 C VAL A 54 9.235 -5.863 -9.176 1.00 0.00 C ATOM 813 O VAL A 54 9.808 -5.302 -10.109 1.00 0.00 O ATOM 814 CB VAL A 54 8.499 -8.236 -8.947 1.00 0.00 C ATOM 815 CG1 VAL A 54 7.779 -7.920 -10.249 1.00 0.00 C ATOM 816 CG2 VAL A 54 9.005 -9.671 -8.944 1.00 0.00 C ATOM 0 H VAL A 54 9.603 -7.923 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 54 10.522 -7.576 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 54 7.787 -8.124 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.960 -8.625 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.381 -6.906 -10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.479 -8.002 -11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.169 -10.352 -9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.738 -9.800 -9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.470 -9.891 -7.983 1.00 0.00 H new ATOM 826 N GLY A 55 8.225 -5.312 -8.511 1.00 0.00 N ATOM 827 CA GLY A 55 7.738 -3.991 -8.863 1.00 0.00 C ATOM 828 C GLY A 55 8.863 -3.003 -9.100 1.00 0.00 C ATOM 829 O GLY A 55 8.687 -2.008 -9.805 1.00 0.00 O ATOM 0 H GLY A 55 7.735 -5.757 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.124 -4.061 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.094 -3.620 -8.065 1.00 0.00 H new ATOM 833 N HIS A 56 10.022 -3.274 -8.508 1.00 0.00 N ATOM 834 CA HIS A 56 11.180 -2.400 -8.658 1.00 0.00 C ATOM 835 C HIS A 56 12.076 -2.876 -9.797 1.00 0.00 C ATOM 836 O HIS A 56 12.535 -2.077 -10.613 1.00 0.00 O ATOM 837 CB HIS A 56 11.977 -2.348 -7.354 1.00 0.00 C ATOM 838 CG HIS A 56 13.435 -2.069 -7.555 1.00 0.00 C ATOM 839 ND1 HIS A 56 13.937 -0.801 -7.762 1.00 0.00 N ATOM 840 CD2 HIS A 56 14.501 -2.902 -7.578 1.00 0.00 C ATOM 841 CE1 HIS A 56 15.249 -0.867 -7.905 1.00 0.00 C ATOM 842 NE2 HIS A 56 15.616 -2.131 -7.797 1.00 0.00 N ATOM 0 H HIS A 56 10.184 -4.092 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 56 10.821 -1.399 -8.896 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.553 -1.578 -6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.866 -3.298 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 56 13.382 0.054 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.479 -3.974 -7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 56 15.909 -0.030 -8.080 1.00 0.00 H new ATOM 850 N MET A 57 12.320 -4.182 -9.846 1.00 0.00 N ATOM 851 CA MET A 57 13.160 -4.763 -10.887 1.00 0.00 C ATOM 852 C MET A 57 12.715 -4.297 -12.269 1.00 0.00 C ATOM 853 O MET A 57 13.525 -4.193 -13.191 1.00 0.00 O ATOM 854 CB MET A 57 13.117 -6.291 -10.813 1.00 0.00 C ATOM 855 CG MET A 57 13.604 -6.848 -9.485 1.00 0.00 C ATOM 856 SD MET A 57 15.352 -7.289 -9.517 1.00 0.00 S ATOM 857 CE MET A 57 16.049 -5.854 -10.331 1.00 0.00 C ATOM 0 H MET A 57 11.948 -4.857 -9.178 1.00 0.00 H new ATOM 0 HA MET A 57 14.184 -4.427 -10.722 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.094 -6.626 -10.985 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.727 -6.703 -11.617 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.434 -6.110 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.016 -7.729 -9.227 1.00 0.00 H new ATOM 0 HE1 MET A 57 17.135 -5.945 -10.361 1.00 0.00 H new ATOM 0 HE2 MET A 57 15.662 -5.789 -11.348 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.775 -4.954 -9.780 1.00 0.00 H new ATOM 867 N LYS A 58 11.424 -4.016 -12.407 1.00 0.00 N ATOM 868 CA LYS A 58 10.870 -3.560 -13.676 1.00 0.00 C ATOM 869 C LYS A 58 11.627 -2.340 -14.192 1.00 0.00 C ATOM 870 O LYS A 58 11.709 -2.114 -15.400 1.00 0.00 O ATOM 871 CB LYS A 58 9.386 -3.223 -13.517 1.00 0.00 C ATOM 872 CG LYS A 58 8.499 -4.444 -13.351 1.00 0.00 C ATOM 873 CD LYS A 58 7.112 -4.064 -12.860 1.00 0.00 C ATOM 874 CE LYS A 58 6.150 -5.239 -12.945 1.00 0.00 C ATOM 875 NZ LYS A 58 4.943 -5.029 -12.099 1.00 0.00 N ATOM 0 H LYS A 58 10.741 -4.096 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 58 10.977 -4.366 -14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.261 -2.573 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.055 -2.660 -14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.418 -4.968 -14.303 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.959 -5.136 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.173 -3.716 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.729 -3.235 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.846 -5.385 -13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.660 -6.150 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.312 -5.851 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.231 -4.914 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.442 -4.174 -12.415 1.00 0.00 H new ATOM 889 N ILE A 59 12.179 -1.558 -13.270 1.00 0.00 N ATOM 890 CA ILE A 59 12.931 -0.363 -13.634 1.00 0.00 C ATOM 891 C ILE A 59 14.188 -0.723 -14.418 1.00 0.00 C ATOM 892 O ILE A 59 14.672 0.065 -15.232 1.00 0.00 O ATOM 893 CB ILE A 59 13.332 0.450 -12.389 1.00 0.00 C ATOM 894 CG1 ILE A 59 14.576 -0.155 -11.736 1.00 0.00 C ATOM 895 CG2 ILE A 59 12.179 0.502 -11.397 1.00 0.00 C ATOM 896 CD1 ILE A 59 15.053 0.608 -10.520 1.00 0.00 C ATOM 0 H ILE A 59 12.120 -1.730 -12.266 1.00 0.00 H new ATOM 0 HA ILE A 59 12.276 0.244 -14.259 1.00 0.00 H new ATOM 0 HB ILE A 59 13.567 1.468 -12.699 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.361 -1.184 -11.448 1.00 0.00 H new ATOM 0 HG13 ILE A 59 15.381 -0.191 -12.471 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.477 1.080 -10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.316 0.974 -11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.917 -0.511 -11.091 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.938 0.122 -10.109 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.300 1.630 -10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.265 0.622 -9.767 1.00 0.00 H new ATOM 908 N HIS A 60 14.713 -1.918 -14.170 1.00 0.00 N ATOM 909 CA HIS A 60 15.913 -2.384 -14.856 1.00 0.00 C ATOM 910 C HIS A 60 15.551 -3.207 -16.088 1.00 0.00 C ATOM 911 O HIS A 60 15.981 -2.902 -17.201 1.00 0.00 O ATOM 912 CB HIS A 60 16.777 -3.217 -13.908 1.00 0.00 C ATOM 913 CG HIS A 60 17.249 -2.459 -12.705 1.00 0.00 C ATOM 914 ND1 HIS A 60 17.891 -1.242 -12.788 1.00 0.00 N ATOM 915 CD2 HIS A 60 17.168 -2.751 -11.386 1.00 0.00 C ATOM 916 CE1 HIS A 60 18.186 -0.819 -11.571 1.00 0.00 C ATOM 917 NE2 HIS A 60 17.757 -1.716 -10.703 1.00 0.00 N ATOM 0 H HIS A 60 14.326 -2.582 -13.499 1.00 0.00 H new ATOM 0 HA HIS A 60 16.479 -1.510 -15.179 1.00 0.00 H new ATOM 0 HB2 HIS A 60 16.207 -4.086 -13.579 1.00 0.00 H new ATOM 0 HB3 HIS A 60 17.643 -3.592 -14.454 1.00 0.00 H new ATOM 0 HD2 HIS A 60 16.723 -3.634 -10.952 1.00 0.00 H new ATOM 0 HE1 HIS A 60 18.692 0.104 -11.328 1.00 0.00 H new ATOM 0 HE2 HIS A 60 17.848 -1.651 -9.689 1.00 0.00 H new ATOM 1001 N TYR A 66 8.400 5.500 -22.108 1.00 0.00 N ATOM 1002 CA TYR A 66 7.565 6.500 -21.452 1.00 0.00 C ATOM 1003 C TYR A 66 6.903 5.924 -20.205 1.00 0.00 C ATOM 1004 O TYR A 66 6.514 4.757 -20.178 1.00 0.00 O ATOM 1005 CB TYR A 66 6.497 7.016 -22.419 1.00 0.00 C ATOM 1006 CG TYR A 66 7.058 7.510 -23.733 1.00 0.00 C ATOM 1007 CD1 TYR A 66 7.587 8.790 -23.847 1.00 0.00 C ATOM 1008 CD2 TYR A 66 7.058 6.698 -24.860 1.00 0.00 C ATOM 1009 CE1 TYR A 66 8.099 9.246 -25.046 1.00 0.00 C ATOM 1010 CE2 TYR A 66 7.570 7.145 -26.063 1.00 0.00 C ATOM 1011 CZ TYR A 66 8.089 8.420 -26.151 1.00 0.00 C ATOM 1012 OH TYR A 66 8.599 8.870 -27.347 1.00 0.00 O ATOM 0 HA TYR A 66 8.204 7.330 -21.151 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.781 6.218 -22.616 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.947 7.826 -21.941 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.598 9.439 -22.984 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.651 5.700 -24.795 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.505 10.244 -25.118 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.564 6.500 -26.929 1.00 0.00 H new ATOM 0 HH TYR A 66 8.517 8.166 -28.023 1.00 0.00 H new ATOM 1022 N GLU A 67 6.778 6.753 -19.173 1.00 0.00 N ATOM 1023 CA GLU A 67 6.163 6.327 -17.921 1.00 0.00 C ATOM 1024 C GLU A 67 5.425 7.485 -17.255 1.00 0.00 C ATOM 1025 O GLU A 67 6.005 8.540 -17.000 1.00 0.00 O ATOM 1026 CB GLU A 67 7.224 5.769 -16.970 1.00 0.00 C ATOM 1027 CG GLU A 67 6.810 5.805 -15.509 1.00 0.00 C ATOM 1028 CD GLU A 67 7.228 7.087 -14.815 1.00 0.00 C ATOM 1029 OE1 GLU A 67 7.866 7.935 -15.473 1.00 0.00 O ATOM 1030 OE2 GLU A 67 6.919 7.241 -13.615 1.00 0.00 O ATOM 0 H GLU A 67 7.094 7.723 -19.179 1.00 0.00 H new ATOM 0 HA GLU A 67 5.441 5.543 -18.149 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.446 4.740 -17.251 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.145 6.339 -17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.728 5.695 -15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.251 4.955 -14.989 1.00 0.00 H new ATOM 1037 N CYS A 68 4.142 7.279 -16.977 1.00 0.00 N ATOM 1038 CA CYS A 68 3.323 8.304 -16.343 1.00 0.00 C ATOM 1039 C CYS A 68 3.996 8.833 -15.079 1.00 0.00 C ATOM 1040 O CYS A 68 4.989 8.277 -14.613 1.00 0.00 O ATOM 1041 CB CYS A 68 1.941 7.743 -16.000 1.00 0.00 C ATOM 1042 SG CYS A 68 0.632 9.005 -15.892 1.00 0.00 S ATOM 0 H CYS A 68 3.647 6.411 -17.181 1.00 0.00 H new ATOM 0 HA CYS A 68 3.209 9.129 -17.046 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.661 7.008 -16.755 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.001 7.215 -15.048 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.400 8.508 -15.277 1.00 0.00 H new ATOM 1047 N ASN A 69 3.447 9.912 -14.531 1.00 0.00 N ATOM 1048 CA ASN A 69 3.994 10.517 -13.322 1.00 0.00 C ATOM 1049 C ASN A 69 3.057 10.307 -12.136 1.00 0.00 C ATOM 1050 O ASN A 69 3.503 10.177 -10.996 1.00 0.00 O ATOM 1051 CB ASN A 69 4.233 12.013 -13.538 1.00 0.00 C ATOM 1052 CG ASN A 69 4.186 12.800 -12.243 1.00 0.00 C ATOM 1053 OD1 ASN A 69 4.835 12.439 -11.261 1.00 0.00 O ATOM 1054 ND2 ASN A 69 3.414 13.881 -12.234 1.00 0.00 N ATOM 0 H ASN A 69 2.624 10.385 -14.905 1.00 0.00 H new ATOM 0 HA ASN A 69 4.945 10.032 -13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.203 12.158 -14.013 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.481 12.403 -14.224 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.342 14.449 -11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.894 14.143 -13.071 1.00 0.00 H new ATOM 1061 N ILE A 70 1.758 10.273 -12.414 1.00 0.00 N ATOM 1062 CA ILE A 70 0.759 10.077 -11.371 1.00 0.00 C ATOM 1063 C ILE A 70 0.685 8.613 -10.951 1.00 0.00 C ATOM 1064 O ILE A 70 1.032 8.261 -9.823 1.00 0.00 O ATOM 1065 CB ILE A 70 -0.635 10.538 -11.834 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -0.640 12.047 -12.086 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -1.686 10.165 -10.799 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -0.347 12.421 -13.522 1.00 0.00 C ATOM 0 H ILE A 70 1.373 10.379 -13.353 1.00 0.00 H new ATOM 0 HA ILE A 70 1.068 10.682 -10.519 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.877 10.032 -12.769 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.613 12.451 -11.805 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.100 12.518 -11.438 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.666 10.497 -11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.696 9.083 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.449 10.647 -9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.367 13.506 -13.627 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.638 12.048 -13.802 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.101 11.980 -14.174 1.00 0.00 H new ATOM 1080 N CYS A 71 0.231 7.762 -11.865 1.00 0.00 N ATOM 1081 CA CYS A 71 0.112 6.335 -11.591 1.00 0.00 C ATOM 1082 C CYS A 71 1.433 5.619 -11.853 1.00 0.00 C ATOM 1083 O CYS A 71 1.618 4.469 -11.454 1.00 0.00 O ATOM 1084 CB CYS A 71 -0.994 5.720 -12.452 1.00 0.00 C ATOM 1085 SG CYS A 71 -0.872 6.130 -14.223 1.00 0.00 S ATOM 0 H CYS A 71 -0.061 8.036 -12.803 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.145 6.212 -10.539 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.968 4.636 -12.338 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.961 6.057 -12.078 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.596 7.180 -14.476 1.00 0.00 H new ATOM 1090 N ALA A 72 2.350 6.307 -12.526 1.00 0.00 N ATOM 1091 CA ALA A 72 3.655 5.738 -12.839 1.00 0.00 C ATOM 1092 C ALA A 72 3.520 4.524 -13.751 1.00 0.00 C ATOM 1093 O ALA A 72 4.302 3.577 -13.662 1.00 0.00 O ATOM 1094 CB ALA A 72 4.387 5.360 -11.560 1.00 0.00 C ATOM 0 H ALA A 72 2.213 7.259 -12.865 1.00 0.00 H new ATOM 0 HA ALA A 72 4.236 6.494 -13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.360 4.936 -11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.525 6.248 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.801 4.624 -11.009 1.00 0.00 H new ATOM 1100 N LYS A 73 2.522 4.557 -14.629 1.00 0.00 N ATOM 1101 CA LYS A 73 2.284 3.459 -15.559 1.00 0.00 C ATOM 1102 C LYS A 73 3.312 3.468 -16.686 1.00 0.00 C ATOM 1103 O LYS A 73 3.956 4.485 -16.943 1.00 0.00 O ATOM 1104 CB LYS A 73 0.872 3.555 -16.141 1.00 0.00 C ATOM 1105 CG LYS A 73 -0.193 2.924 -15.261 1.00 0.00 C ATOM 1106 CD LYS A 73 -1.490 2.709 -16.023 1.00 0.00 C ATOM 1107 CE LYS A 73 -1.530 1.337 -16.679 1.00 0.00 C ATOM 1108 NZ LYS A 73 -0.993 1.370 -18.067 1.00 0.00 N ATOM 0 H LYS A 73 1.865 5.333 -14.716 1.00 0.00 H new ATOM 0 HA LYS A 73 2.382 2.522 -15.010 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.624 4.604 -16.301 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.857 3.072 -17.118 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.168 1.969 -14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.379 3.563 -14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.335 2.813 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.598 3.481 -16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.951 0.632 -16.082 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.557 0.972 -16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.623 0.832 -18.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.936 2.356 -18.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.044 0.945 -18.082 1.00 0.00 H new ATOM 1122 N ARG A 74 3.460 2.329 -17.354 1.00 0.00 N ATOM 1123 CA ARG A 74 4.409 2.207 -18.454 1.00 0.00 C ATOM 1124 C ARG A 74 3.682 2.043 -19.785 1.00 0.00 C ATOM 1125 O ARG A 74 2.662 1.359 -19.867 1.00 0.00 O ATOM 1126 CB ARG A 74 5.342 1.017 -18.221 1.00 0.00 C ATOM 1127 CG ARG A 74 6.104 1.088 -16.907 1.00 0.00 C ATOM 1128 CD ARG A 74 6.819 -0.220 -16.607 1.00 0.00 C ATOM 1129 NE ARG A 74 5.933 -1.197 -15.981 1.00 0.00 N ATOM 1130 CZ ARG A 74 5.595 -1.167 -14.697 1.00 0.00 C ATOM 1131 NH1 ARG A 74 6.066 -0.212 -13.906 1.00 0.00 N ATOM 1132 NH2 ARG A 74 4.783 -2.092 -14.201 1.00 0.00 N ATOM 0 H ARG A 74 2.935 1.478 -17.153 1.00 0.00 H new ATOM 0 HA ARG A 74 5.000 3.122 -18.493 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.757 0.098 -18.243 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.056 0.960 -19.043 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.830 1.900 -16.950 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.413 1.321 -16.097 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.220 -0.634 -17.532 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.667 -0.027 -15.950 1.00 0.00 H new ATOM 0 HE ARG A 74 5.552 -1.944 -16.562 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.689 0.502 -14.284 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.805 -0.191 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.418 -2.827 -14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.524 -2.068 -13.215 1.00 0.00 H new ATOM 1146 N PHE A 75 4.213 2.677 -20.826 1.00 0.00 N ATOM 1147 CA PHE A 75 3.613 2.603 -22.153 1.00 0.00 C ATOM 1148 C PHE A 75 4.675 2.331 -23.215 1.00 0.00 C ATOM 1149 O PHE A 75 5.846 2.663 -23.035 1.00 0.00 O ATOM 1150 CB PHE A 75 2.874 3.903 -22.475 1.00 0.00 C ATOM 1151 CG PHE A 75 1.783 4.231 -21.497 1.00 0.00 C ATOM 1152 CD1 PHE A 75 2.078 4.842 -20.289 1.00 0.00 C ATOM 1153 CD2 PHE A 75 0.462 3.926 -21.784 1.00 0.00 C ATOM 1154 CE1 PHE A 75 1.075 5.145 -19.386 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -0.544 4.227 -20.886 1.00 0.00 C ATOM 1156 CZ PHE A 75 -0.237 4.836 -19.685 1.00 0.00 C ATOM 0 H PHE A 75 5.057 3.247 -20.776 1.00 0.00 H new ATOM 0 HA PHE A 75 2.900 1.778 -22.157 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.591 4.724 -22.495 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.445 3.830 -23.474 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.103 5.084 -20.050 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.216 3.447 -22.720 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.318 5.623 -18.448 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.570 3.986 -21.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.022 5.070 -18.981 1.00 0.00 H new ATOM 1166 N MET A 76 4.256 1.725 -24.321 1.00 0.00 N ATOM 1167 CA MET A 76 5.170 1.410 -25.412 1.00 0.00 C ATOM 1168 C MET A 76 5.152 2.508 -26.471 1.00 0.00 C ATOM 1169 O MET A 76 6.203 2.971 -26.916 1.00 0.00 O ATOM 1170 CB MET A 76 4.798 0.068 -26.046 1.00 0.00 C ATOM 1171 CG MET A 76 5.558 -0.231 -27.328 1.00 0.00 C ATOM 1172 SD MET A 76 7.120 -1.081 -27.027 1.00 0.00 S ATOM 1173 CE MET A 76 6.996 -2.438 -28.189 1.00 0.00 C ATOM 0 H MET A 76 3.290 1.442 -24.485 1.00 0.00 H new ATOM 0 HA MET A 76 6.177 1.343 -25.001 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.987 -0.729 -25.327 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.729 0.059 -26.257 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.935 -0.843 -27.981 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.753 0.702 -27.857 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.891 -3.057 -28.122 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.119 -3.041 -27.952 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.903 -2.043 -29.201 1.00 0.00 H new ATOM 1183 N TRP A 77 3.954 2.919 -26.870 1.00 0.00 N ATOM 1184 CA TRP A 77 3.801 3.962 -27.878 1.00 0.00 C ATOM 1185 C TRP A 77 3.693 5.336 -27.226 1.00 0.00 C ATOM 1186 O TRP A 77 3.044 5.493 -26.191 1.00 0.00 O ATOM 1187 CB TRP A 77 2.564 3.693 -28.737 1.00 0.00 C ATOM 1188 CG TRP A 77 2.473 2.277 -29.219 1.00 0.00 C ATOM 1189 CD1 TRP A 77 1.773 1.257 -28.641 1.00 0.00 C ATOM 1190 CD2 TRP A 77 3.106 1.724 -30.378 1.00 0.00 C ATOM 1191 NE1 TRP A 77 1.932 0.104 -29.371 1.00 0.00 N ATOM 1192 CE2 TRP A 77 2.745 0.364 -30.442 1.00 0.00 C ATOM 1193 CE3 TRP A 77 3.941 2.246 -31.370 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 3.192 -0.478 -31.457 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 4.384 1.409 -32.376 1.00 0.00 C ATOM 1196 CH2 TRP A 77 4.008 0.060 -32.414 1.00 0.00 C ATOM 0 H TRP A 77 3.075 2.546 -26.511 1.00 0.00 H new ATOM 0 HA TRP A 77 4.686 3.950 -28.515 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.671 3.931 -28.160 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.575 4.362 -29.597 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.181 1.344 -27.742 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.512 -0.799 -29.151 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.235 3.285 -31.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 2.905 -1.519 -31.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.031 1.801 -33.146 1.00 0.00 H new ATOM 0 HH2 TRP A 77 4.370 -0.568 -33.215 1.00 0.00 H new ATOM 1207 N ARG A 78 4.331 6.329 -27.837 1.00 0.00 N ATOM 1208 CA ARG A 78 4.307 7.690 -27.315 1.00 0.00 C ATOM 1209 C ARG A 78 2.903 8.282 -27.406 1.00 0.00 C ATOM 1210 O ARG A 78 2.399 8.859 -26.442 1.00 0.00 O ATOM 1211 CB ARG A 78 5.294 8.571 -28.082 1.00 0.00 C ATOM 1212 CG ARG A 78 5.263 10.031 -27.660 1.00 0.00 C ATOM 1213 CD ARG A 78 5.812 10.938 -28.750 1.00 0.00 C ATOM 1214 NE ARG A 78 6.155 12.262 -28.239 1.00 0.00 N ATOM 1215 CZ ARG A 78 7.219 12.505 -27.481 1.00 0.00 C ATOM 1216 NH1 ARG A 78 8.039 11.517 -27.149 1.00 0.00 N ATOM 1217 NH2 ARG A 78 7.464 13.737 -27.055 1.00 0.00 N ATOM 0 H ARG A 78 4.871 6.216 -28.695 1.00 0.00 H new ATOM 0 HA ARG A 78 4.601 7.655 -26.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.302 8.182 -27.939 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.075 8.505 -29.148 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.239 10.321 -27.425 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.848 10.160 -26.749 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.697 10.479 -29.192 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.073 11.037 -29.546 1.00 0.00 H new ATOM 0 HE ARG A 78 5.544 13.043 -28.477 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.853 10.569 -27.476 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.855 11.705 -26.567 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.835 14.499 -27.309 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.281 13.922 -26.473 1.00 0.00 H new ATOM 1231 N ASP A 79 2.279 8.135 -28.569 1.00 0.00 N ATOM 1232 CA ASP A 79 0.934 8.655 -28.786 1.00 0.00 C ATOM 1233 C ASP A 79 0.009 8.265 -27.637 1.00 0.00 C ATOM 1234 O ASP A 79 -0.664 9.114 -27.053 1.00 0.00 O ATOM 1235 CB ASP A 79 0.371 8.135 -30.110 1.00 0.00 C ATOM 1236 CG ASP A 79 1.101 8.701 -31.311 1.00 0.00 C ATOM 1237 OD1 ASP A 79 2.350 8.713 -31.296 1.00 0.00 O ATOM 1238 OD2 ASP A 79 0.423 9.131 -32.268 1.00 0.00 O ATOM 0 H ASP A 79 2.683 7.660 -29.376 1.00 0.00 H new ATOM 0 HA ASP A 79 0.993 9.743 -28.828 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.437 7.047 -30.128 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.686 8.391 -30.177 1.00 0.00 H new ATOM 1243 N SER A 80 -0.019 6.975 -27.319 1.00 0.00 N ATOM 1244 CA SER A 80 -0.865 6.471 -26.243 1.00 0.00 C ATOM 1245 C SER A 80 -0.420 7.031 -24.895 1.00 0.00 C ATOM 1246 O SER A 80 -1.245 7.320 -24.027 1.00 0.00 O ATOM 1247 CB SER A 80 -0.829 4.942 -26.210 1.00 0.00 C ATOM 1248 OG SER A 80 -1.758 4.390 -27.127 1.00 0.00 O ATOM 0 H SER A 80 0.534 6.260 -27.791 1.00 0.00 H new ATOM 0 HA SER A 80 -1.887 6.799 -26.434 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.175 4.593 -26.451 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.055 4.591 -25.203 1.00 0.00 H new ATOM 0 HG SER A 80 -1.714 3.412 -27.088 1.00 0.00 H new ATOM 1254 N PHE A 81 0.889 7.180 -24.727 1.00 0.00 N ATOM 1255 CA PHE A 81 1.445 7.704 -23.484 1.00 0.00 C ATOM 1256 C PHE A 81 0.883 9.089 -23.178 1.00 0.00 C ATOM 1257 O PHE A 81 0.226 9.293 -22.157 1.00 0.00 O ATOM 1258 CB PHE A 81 2.972 7.768 -23.571 1.00 0.00 C ATOM 1259 CG PHE A 81 3.604 8.536 -22.446 1.00 0.00 C ATOM 1260 CD1 PHE A 81 3.611 8.025 -21.159 1.00 0.00 C ATOM 1261 CD2 PHE A 81 4.192 9.770 -22.676 1.00 0.00 C ATOM 1262 CE1 PHE A 81 4.192 8.729 -20.121 1.00 0.00 C ATOM 1263 CE2 PHE A 81 4.776 10.478 -21.643 1.00 0.00 C ATOM 1264 CZ PHE A 81 4.775 9.957 -20.363 1.00 0.00 C ATOM 0 H PHE A 81 1.585 6.946 -25.435 1.00 0.00 H new ATOM 0 HA PHE A 81 1.162 7.030 -22.676 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.371 6.754 -23.577 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.255 8.227 -24.518 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.157 7.065 -20.964 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.194 10.183 -23.674 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.190 8.319 -19.122 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.233 11.438 -21.836 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.229 10.509 -19.554 1.00 0.00 H new ATOM 1274 N HIS A 82 1.147 10.039 -24.070 1.00 0.00 N ATOM 1275 CA HIS A 82 0.668 11.405 -23.896 1.00 0.00 C ATOM 1276 C HIS A 82 -0.854 11.438 -23.785 1.00 0.00 C ATOM 1277 O HIS A 82 -1.409 12.124 -22.927 1.00 0.00 O ATOM 1278 CB HIS A 82 1.125 12.281 -25.063 1.00 0.00 C ATOM 1279 CG HIS A 82 2.522 12.799 -24.912 1.00 0.00 C ATOM 1280 ND1 HIS A 82 3.334 13.098 -25.986 1.00 0.00 N ATOM 1281 CD2 HIS A 82 3.249 13.073 -23.804 1.00 0.00 C ATOM 1282 CE1 HIS A 82 4.501 13.532 -25.545 1.00 0.00 C ATOM 1283 NE2 HIS A 82 4.475 13.527 -24.224 1.00 0.00 N ATOM 0 H HIS A 82 1.690 9.887 -24.920 1.00 0.00 H new ATOM 0 HA HIS A 82 1.090 11.796 -22.971 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.057 11.706 -25.986 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.442 13.125 -25.162 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.925 12.956 -22.780 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.334 13.839 -26.160 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.241 13.814 -23.615 1.00 0.00 H new ATOM 1291 N ARG A 83 -1.521 10.692 -24.659 1.00 0.00 N ATOM 1292 CA ARG A 83 -2.978 10.637 -24.661 1.00 0.00 C ATOM 1293 C ARG A 83 -3.511 10.302 -23.271 1.00 0.00 C ATOM 1294 O ARG A 83 -4.497 10.883 -22.815 1.00 0.00 O ATOM 1295 CB ARG A 83 -3.470 9.599 -25.671 1.00 0.00 C ATOM 1296 CG ARG A 83 -4.955 9.297 -25.561 1.00 0.00 C ATOM 1297 CD ARG A 83 -5.410 8.330 -26.643 1.00 0.00 C ATOM 1298 NE ARG A 83 -6.804 8.547 -27.020 1.00 0.00 N ATOM 1299 CZ ARG A 83 -7.214 9.569 -27.763 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -6.342 10.463 -28.206 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -8.500 9.698 -28.064 1.00 0.00 N ATOM 0 H ARG A 83 -1.076 10.117 -25.375 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.353 11.619 -24.949 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.254 9.954 -26.679 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.909 8.675 -25.532 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.169 8.873 -24.580 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.522 10.224 -25.639 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.775 8.444 -27.522 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.285 7.306 -26.290 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.501 7.877 -26.695 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.353 10.368 -27.977 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.660 11.247 -28.776 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.174 9.012 -27.725 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.814 10.483 -28.635 1.00 0.00 H new ATOM 1315 N HIS A 84 -2.853 9.360 -22.602 1.00 0.00 N ATOM 1316 CA HIS A 84 -3.261 8.947 -21.263 1.00 0.00 C ATOM 1317 C HIS A 84 -2.793 9.956 -20.218 1.00 0.00 C ATOM 1318 O HIS A 84 -3.598 10.497 -19.459 1.00 0.00 O ATOM 1319 CB HIS A 84 -2.698 7.563 -20.941 1.00 0.00 C ATOM 1320 CG HIS A 84 -2.568 7.297 -19.472 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -3.411 6.451 -18.783 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -1.685 7.769 -18.562 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -3.053 6.416 -17.512 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -2.008 7.207 -17.352 1.00 0.00 N ATOM 0 H HIS A 84 -2.036 8.869 -22.965 1.00 0.00 H new ATOM 0 HA HIS A 84 -4.350 8.903 -21.238 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.344 6.805 -21.384 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.719 7.460 -21.409 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.877 8.459 -18.752 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.533 5.839 -16.736 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.520 7.373 -16.472 1.00 0.00 H new ATOM 1332 N VAL A 85 -1.488 10.203 -20.183 1.00 0.00 N ATOM 1333 CA VAL A 85 -0.913 11.146 -19.231 1.00 0.00 C ATOM 1334 C VAL A 85 -1.718 12.440 -19.186 1.00 0.00 C ATOM 1335 O VAL A 85 -1.971 12.991 -18.114 1.00 0.00 O ATOM 1336 CB VAL A 85 0.550 11.477 -19.582 1.00 0.00 C ATOM 1337 CG1 VAL A 85 1.172 12.352 -18.505 1.00 0.00 C ATOM 1338 CG2 VAL A 85 1.353 10.199 -19.773 1.00 0.00 C ATOM 0 H VAL A 85 -0.808 9.763 -20.803 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.944 10.667 -18.253 1.00 0.00 H new ATOM 0 HB VAL A 85 0.565 12.032 -20.520 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.205 12.576 -18.770 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.609 13.282 -18.422 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.148 11.827 -17.550 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.384 10.451 -20.020 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.333 9.616 -18.852 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.918 9.614 -20.583 1.00 0.00 H new ATOM 1348 N THR A 86 -2.120 12.922 -20.358 1.00 0.00 N ATOM 1349 CA THR A 86 -2.897 14.152 -20.453 1.00 0.00 C ATOM 1350 C THR A 86 -4.087 14.126 -19.502 1.00 0.00 C ATOM 1351 O THR A 86 -4.246 15.016 -18.666 1.00 0.00 O ATOM 1352 CB THR A 86 -3.406 14.385 -21.888 1.00 0.00 C ATOM 1353 OG1 THR A 86 -2.298 14.529 -22.784 1.00 0.00 O ATOM 1354 CG2 THR A 86 -4.284 15.626 -21.956 1.00 0.00 C ATOM 0 H THR A 86 -1.920 12.479 -21.255 1.00 0.00 H new ATOM 0 HA THR A 86 -2.231 14.969 -20.174 1.00 0.00 H new ATOM 0 HB THR A 86 -4.001 13.521 -22.183 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.040 13.649 -23.130 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.632 15.770 -22.979 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.142 15.501 -21.295 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.708 16.497 -21.642 1.00 0.00 H new ATOM 1362 N SER A 87 -4.921 13.099 -19.633 1.00 0.00 N ATOM 1363 CA SER A 87 -6.100 12.959 -18.786 1.00 0.00 C ATOM 1364 C SER A 87 -5.705 12.565 -17.366 1.00 0.00 C ATOM 1365 O SER A 87 -6.089 13.221 -16.397 1.00 0.00 O ATOM 1366 CB SER A 87 -7.053 11.915 -19.371 1.00 0.00 C ATOM 1367 OG SER A 87 -8.396 12.195 -19.016 1.00 0.00 O ATOM 0 H SER A 87 -4.802 12.352 -20.317 1.00 0.00 H new ATOM 0 HA SER A 87 -6.607 13.923 -18.749 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.957 11.898 -20.457 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.777 10.924 -19.011 1.00 0.00 H new ATOM 0 HG SER A 87 -8.985 11.515 -19.403 1.00 0.00 H new ATOM 1373 N CYS A 88 -4.934 11.489 -17.250 1.00 0.00 N ATOM 1374 CA CYS A 88 -4.486 11.005 -15.950 1.00 0.00 C ATOM 1375 C CYS A 88 -4.162 12.169 -15.018 1.00 0.00 C ATOM 1376 O CYS A 88 -4.373 12.088 -13.808 1.00 0.00 O ATOM 1377 CB CYS A 88 -3.255 10.110 -16.112 1.00 0.00 C ATOM 1378 SG CYS A 88 -2.776 9.222 -14.596 1.00 0.00 S ATOM 0 H CYS A 88 -4.606 10.935 -18.041 1.00 0.00 H new ATOM 0 HA CYS A 88 -5.295 10.423 -15.509 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -3.449 9.383 -16.900 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.415 10.722 -16.443 1.00 0.00 H new ATOM 0 HG CYS A 88 -3.160 9.901 -13.556 1.00 0.00 H new ATOM 1383 N THR A 89 -3.649 13.254 -15.591 1.00 0.00 N ATOM 1384 CA THR A 89 -3.296 14.434 -14.813 1.00 0.00 C ATOM 1385 C THR A 89 -4.514 15.319 -14.572 1.00 0.00 C ATOM 1386 O THR A 89 -4.696 15.858 -13.481 1.00 0.00 O ATOM 1387 CB THR A 89 -2.204 15.264 -15.515 1.00 0.00 C ATOM 1388 OG1 THR A 89 -1.225 14.394 -16.095 1.00 0.00 O ATOM 1389 CG2 THR A 89 -1.531 16.212 -14.535 1.00 0.00 C ATOM 0 H THR A 89 -3.469 13.339 -16.591 1.00 0.00 H new ATOM 0 HA THR A 89 -2.914 14.078 -13.856 1.00 0.00 H new ATOM 0 HB THR A 89 -2.676 15.854 -16.301 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.510 14.136 -16.996 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.764 16.787 -15.054 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.274 16.892 -14.118 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.072 15.638 -13.730 1.00 0.00 H new ATOM 1397 N LYS A 90 -5.347 15.463 -15.597 1.00 0.00 N ATOM 1398 CA LYS A 90 -6.550 16.281 -15.497 1.00 0.00 C ATOM 1399 C LYS A 90 -7.194 16.134 -14.122 1.00 0.00 C ATOM 1400 O LYS A 90 -7.566 17.124 -13.492 1.00 0.00 O ATOM 1401 CB LYS A 90 -7.551 15.887 -16.586 1.00 0.00 C ATOM 1402 CG LYS A 90 -7.163 16.371 -17.972 1.00 0.00 C ATOM 1403 CD LYS A 90 -7.397 17.864 -18.127 1.00 0.00 C ATOM 1404 CE LYS A 90 -8.817 18.162 -18.582 1.00 0.00 C ATOM 1405 NZ LYS A 90 -9.759 18.254 -17.432 1.00 0.00 N ATOM 0 H LYS A 90 -5.211 15.023 -16.507 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.264 17.324 -15.635 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.648 14.801 -16.603 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.531 16.290 -16.330 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.113 16.145 -18.156 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.741 15.831 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.206 18.364 -17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.690 18.271 -18.849 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.831 19.099 -19.139 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.152 17.380 -19.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.480 18.976 -17.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.221 17.334 -17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.234 18.516 -16.573 1.00 0.00 H new ATOM 1419 N SER A 91 -7.321 14.894 -13.662 1.00 0.00 N ATOM 1420 CA SER A 91 -7.923 14.618 -12.363 1.00 0.00 C ATOM 1421 C SER A 91 -6.940 14.917 -11.235 1.00 0.00 C ATOM 1422 O SER A 91 -7.299 15.529 -10.229 1.00 0.00 O ATOM 1423 CB SER A 91 -8.377 13.159 -12.286 1.00 0.00 C ATOM 1424 OG SER A 91 -9.576 12.960 -13.014 1.00 0.00 O ATOM 0 H SER A 91 -7.015 14.064 -14.170 1.00 0.00 H new ATOM 0 HA SER A 91 -8.791 15.267 -12.247 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.596 12.510 -12.682 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.529 12.876 -11.244 1.00 0.00 H new ATOM 0 HG SER A 91 -9.845 12.020 -12.951 1.00 0.00 H new ATOM 1430 N TYR A 92 -5.698 14.479 -11.410 1.00 0.00 N ATOM 1431 CA TYR A 92 -4.662 14.696 -10.407 1.00 0.00 C ATOM 1432 C TYR A 92 -4.598 16.165 -10.000 1.00 0.00 C ATOM 1433 O TYR A 92 -4.654 16.495 -8.816 1.00 0.00 O ATOM 1434 CB TYR A 92 -3.302 14.243 -10.941 1.00 0.00 C ATOM 1435 CG TYR A 92 -2.138 14.677 -10.080 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -1.616 15.961 -10.179 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -1.560 13.804 -9.167 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -0.552 16.362 -9.394 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -0.497 14.196 -8.377 1.00 0.00 C ATOM 1440 CZ TYR A 92 0.004 15.476 -8.494 1.00 0.00 C ATOM 1441 OH TYR A 92 1.064 15.870 -7.711 1.00 0.00 O ATOM 0 H TYR A 92 -5.384 13.971 -12.237 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.914 14.104 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.297 13.156 -11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.166 14.639 -11.947 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.049 16.657 -10.882 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.949 12.801 -9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.158 17.363 -9.484 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.061 13.504 -7.672 1.00 0.00 H new ATOM 0 HH TYR A 92 1.336 15.128 -7.131 1.00 0.00 H new ATOM 1451 N GLU A 93 -4.479 17.043 -10.992 1.00 0.00 N ATOM 1452 CA GLU A 93 -4.407 18.477 -10.737 1.00 0.00 C ATOM 1453 C GLU A 93 -5.357 18.879 -9.613 1.00 0.00 C ATOM 1454 O GLU A 93 -5.007 19.679 -8.746 1.00 0.00 O ATOM 1455 CB GLU A 93 -4.742 19.260 -12.008 1.00 0.00 C ATOM 1456 CG GLU A 93 -3.541 19.513 -12.902 1.00 0.00 C ATOM 1457 CD GLU A 93 -3.878 20.376 -14.103 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -4.812 20.016 -14.849 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -3.207 21.412 -14.296 1.00 0.00 O ATOM 0 H GLU A 93 -4.431 16.786 -11.978 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.389 18.715 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.496 18.713 -12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.184 20.216 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.756 19.997 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.141 18.559 -13.246 1.00 0.00 H new