USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 13 THR OG1 : rot -133:sc= 0.0355 USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -0.0815 F(o=-2.8!,f=-0.046) USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0.516 USER MOD Set 2.2: A 84 SER OG : rot -33:sc= 0.219 USER MOD Set 3.1: A 18 THR OG1 : rot 13:sc= -1.1! USER MOD Set 3.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0571) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 25 ASN : amide:sc= -5.63! C(o=-5.6!,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 91:sc= -6.23! USER MOD Single : A 34 TYR OH : rot 99:sc= 0.796 USER MOD Single : A 35 SER OG : rot -120:sc= 0.245 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 45 THR OG1 : rot 128:sc= -2.68! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.923 F(o=-3.6!,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= -0.331 (180deg=-1.71!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -131:sc= -5.36! (180deg=-6.16!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= -0.0115 (180deg=-0.0856) USER MOD Single : A 97 MET CE :methyl 166:sc= -0.331 (180deg=-0.651) USER MOD Single : A 104 CYS SG : rot 57:sc= -1.43 USER MOD Single : A 105 CYS SG : rot -125:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.722 8.357 -8.866 1.00 0.00 N ATOM 113 CA LYS A 9 -3.743 7.294 -8.662 1.00 0.00 C ATOM 114 C LYS A 9 -3.591 6.950 -7.181 1.00 0.00 C ATOM 115 O LYS A 9 -4.111 7.644 -6.305 1.00 0.00 O ATOM 116 CB LYS A 9 -2.387 7.702 -9.241 1.00 0.00 C ATOM 117 CG LYS A 9 -1.876 6.757 -10.317 1.00 0.00 C ATOM 118 CD LYS A 9 -1.102 5.594 -9.716 1.00 0.00 C ATOM 119 CE LYS A 9 -0.107 5.015 -10.710 1.00 0.00 C ATOM 120 NZ LYS A 9 1.086 5.892 -10.875 1.00 0.00 N ATOM 0 HA LYS A 9 -4.106 6.407 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.467 8.706 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.656 7.750 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.717 6.375 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.235 7.304 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.573 5.929 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.798 4.816 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.211 4.029 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.595 4.880 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.826 5.378 -11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.819 6.745 -11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.447 6.166 -9.939 1.00 0.00 H new ATOM 134 N ALA A 10 -2.856 5.880 -6.911 1.00 0.00 N ATOM 135 CA ALA A 10 -2.617 5.450 -5.542 1.00 0.00 C ATOM 136 C ALA A 10 -1.129 5.245 -5.281 1.00 0.00 C ATOM 137 O ALA A 10 -0.603 4.150 -5.477 1.00 0.00 O ATOM 138 CB ALA A 10 -3.401 4.182 -5.230 1.00 0.00 C ATOM 0 H ALA A 10 -2.416 5.295 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.966 6.240 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.207 3.878 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.467 4.372 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.091 3.386 -5.908 1.00 0.00 H new ATOM 144 N ILE A 11 -0.449 6.304 -4.845 1.00 0.00 N ATOM 145 CA ILE A 11 0.983 6.231 -4.571 1.00 0.00 C ATOM 146 C ILE A 11 1.267 6.302 -3.072 1.00 0.00 C ATOM 147 O ILE A 11 1.060 7.336 -2.437 1.00 0.00 O ATOM 148 CB ILE A 11 1.750 7.363 -5.285 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.606 7.226 -6.803 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.220 7.355 -4.885 1.00 0.00 C ATOM 151 CD1 ILE A 11 0.618 8.200 -7.407 1.00 0.00 C ATOM 0 H ILE A 11 -0.866 7.219 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 11 1.328 5.270 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 11 1.320 8.317 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.581 7.375 -7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.292 6.209 -7.040 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.742 8.161 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.305 7.498 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.667 6.400 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.567 8.046 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.367 8.037 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.941 9.221 -7.201 1.00 0.00 H new ATOM 163 N PHE A 12 1.751 5.193 -2.519 1.00 0.00 N ATOM 164 CA PHE A 12 2.081 5.117 -1.101 1.00 0.00 C ATOM 165 C PHE A 12 3.567 4.813 -0.923 1.00 0.00 C ATOM 166 O PHE A 12 4.049 3.778 -1.381 1.00 0.00 O ATOM 167 CB PHE A 12 1.251 4.024 -0.418 1.00 0.00 C ATOM 168 CG PHE A 12 -0.115 4.470 0.020 1.00 0.00 C ATOM 169 CD1 PHE A 12 -0.301 5.058 1.261 1.00 0.00 C ATOM 170 CD2 PHE A 12 -1.214 4.291 -0.801 1.00 0.00 C ATOM 171 CE1 PHE A 12 -1.557 5.459 1.673 1.00 0.00 C ATOM 172 CE2 PHE A 12 -2.473 4.693 -0.396 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.645 5.277 0.844 1.00 0.00 C ATOM 0 H PHE A 12 1.924 4.331 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 12 1.851 6.079 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.144 3.183 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.798 3.659 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.547 5.205 1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.087 3.832 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.687 5.915 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.322 4.551 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.628 5.590 1.164 1.00 0.00 H new ATOM 183 N THR A 13 4.289 5.713 -0.263 1.00 0.00 N ATOM 184 CA THR A 13 5.718 5.516 -0.042 1.00 0.00 C ATOM 185 C THR A 13 6.017 5.166 1.408 1.00 0.00 C ATOM 186 O THR A 13 5.623 5.886 2.323 1.00 0.00 O ATOM 187 CB THR A 13 6.533 6.760 -0.434 1.00 0.00 C ATOM 188 OG1 THR A 13 6.196 7.170 -1.765 1.00 0.00 O ATOM 189 CG2 THR A 13 8.023 6.471 -0.350 1.00 0.00 C ATOM 0 H THR A 13 3.913 6.578 0.125 1.00 0.00 H new ATOM 0 HA THR A 13 6.013 4.683 -0.680 1.00 0.00 H new ATOM 0 HB THR A 13 6.291 7.563 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.017 7.343 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.583 7.363 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.282 6.187 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.274 5.656 -1.029 1.00 0.00 H new ATOM 197 N VAL A 14 6.708 4.046 1.605 1.00 0.00 N ATOM 198 CA VAL A 14 7.054 3.577 2.942 1.00 0.00 C ATOM 199 C VAL A 14 8.446 2.955 2.967 1.00 0.00 C ATOM 200 O VAL A 14 9.085 2.799 1.929 1.00 0.00 O ATOM 201 CB VAL A 14 6.029 2.535 3.449 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.655 2.812 2.867 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.468 1.118 3.105 1.00 0.00 C ATOM 0 H VAL A 14 7.040 3.445 0.851 1.00 0.00 H new ATOM 0 HA VAL A 14 7.039 4.447 3.598 1.00 0.00 H new ATOM 0 HB VAL A 14 5.976 2.621 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.947 2.069 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.326 3.807 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.703 2.760 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.728 0.408 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.559 1.018 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.432 0.912 3.571 1.00 0.00 H new ATOM 213 N ASP A 15 8.901 2.582 4.161 1.00 0.00 N ATOM 214 CA ASP A 15 10.205 1.948 4.326 1.00 0.00 C ATOM 215 C ASP A 15 10.033 0.440 4.469 1.00 0.00 C ATOM 216 O ASP A 15 8.937 -0.036 4.751 1.00 0.00 O ATOM 217 CB ASP A 15 10.926 2.515 5.550 1.00 0.00 C ATOM 218 CG ASP A 15 9.967 2.897 6.661 1.00 0.00 C ATOM 219 OD1 ASP A 15 9.055 2.098 6.957 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.130 3.994 7.235 1.00 0.00 O ATOM 0 H ASP A 15 8.383 2.709 5.031 1.00 0.00 H new ATOM 0 HA ASP A 15 10.810 2.156 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.636 1.777 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.503 3.391 5.255 1.00 0.00 H new ATOM 225 N ALA A 16 11.103 -0.316 4.257 1.00 0.00 N ATOM 226 CA ALA A 16 11.030 -1.770 4.354 1.00 0.00 C ATOM 227 C ALA A 16 11.241 -2.253 5.784 1.00 0.00 C ATOM 228 O ALA A 16 10.948 -3.406 6.103 1.00 0.00 O ATOM 229 CB ALA A 16 12.043 -2.411 3.418 1.00 0.00 C ATOM 0 H ALA A 16 12.025 0.049 4.019 1.00 0.00 H new ATOM 0 HA ALA A 16 10.027 -2.073 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.978 -3.496 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.831 -2.111 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.047 -2.086 3.691 1.00 0.00 H new ATOM 235 N LYS A 17 11.741 -1.376 6.641 1.00 0.00 N ATOM 236 CA LYS A 17 11.978 -1.730 8.034 1.00 0.00 C ATOM 237 C LYS A 17 10.658 -1.851 8.793 1.00 0.00 C ATOM 238 O LYS A 17 10.373 -2.879 9.407 1.00 0.00 O ATOM 239 CB LYS A 17 12.873 -0.686 8.701 1.00 0.00 C ATOM 240 CG LYS A 17 13.768 -1.254 9.791 1.00 0.00 C ATOM 241 CD LYS A 17 13.720 -0.403 11.049 1.00 0.00 C ATOM 242 CE LYS A 17 12.518 -0.752 11.913 1.00 0.00 C ATOM 243 NZ LYS A 17 12.899 -1.576 13.092 1.00 0.00 N ATOM 0 H LYS A 17 11.990 -0.417 6.399 1.00 0.00 H new ATOM 0 HA LYS A 17 12.482 -2.696 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.496 -0.215 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.246 0.097 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.456 -2.271 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.794 -1.311 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.636 -0.548 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.679 0.651 10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.037 0.165 12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.786 -1.293 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.051 -1.791 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.335 -2.463 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.578 -1.050 13.678 1.00 0.00 H new ATOM 257 N THR A 18 9.871 -0.781 8.762 1.00 0.00 N ATOM 258 CA THR A 18 8.596 -0.766 9.471 1.00 0.00 C ATOM 259 C THR A 18 7.394 -0.593 8.555 1.00 0.00 C ATOM 260 O THR A 18 6.250 -0.726 8.993 1.00 0.00 O ATOM 261 CB THR A 18 8.570 0.320 10.566 1.00 0.00 C ATOM 262 OG1 THR A 18 7.218 0.617 10.936 1.00 0.00 O ATOM 263 CG2 THR A 18 9.261 1.587 10.091 1.00 0.00 C ATOM 0 H THR A 18 10.090 0.079 8.259 1.00 0.00 H new ATOM 0 HA THR A 18 8.515 -1.750 9.932 1.00 0.00 H new ATOM 0 HB THR A 18 9.106 -0.063 11.434 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.620 -0.067 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.229 2.337 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.299 1.364 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.751 1.970 9.207 1.00 0.00 H new ATOM 271 N THR A 19 7.648 -0.290 7.296 1.00 0.00 N ATOM 272 CA THR A 19 6.577 -0.091 6.320 1.00 0.00 C ATOM 273 C THR A 19 5.792 1.182 6.623 1.00 0.00 C ATOM 274 O THR A 19 4.791 1.479 5.968 1.00 0.00 O ATOM 275 CB THR A 19 5.602 -1.281 6.278 1.00 0.00 C ATOM 276 OG1 THR A 19 6.304 -2.504 6.534 1.00 0.00 O ATOM 277 CG2 THR A 19 4.910 -1.363 4.925 1.00 0.00 C ATOM 0 H THR A 19 8.588 -0.175 6.918 1.00 0.00 H new ATOM 0 HA THR A 19 7.060 -0.004 5.347 1.00 0.00 H new ATOM 0 HB THR A 19 4.847 -1.130 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.674 -3.254 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.225 -2.211 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.352 -0.444 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.657 -1.492 4.142 1.00 0.00 H new ATOM 285 N GLU A 20 6.261 1.931 7.613 1.00 0.00 N ATOM 286 CA GLU A 20 5.620 3.180 8.004 1.00 0.00 C ATOM 287 C GLU A 20 5.489 4.101 6.799 1.00 0.00 C ATOM 288 O GLU A 20 6.485 4.607 6.284 1.00 0.00 O ATOM 289 CB GLU A 20 6.427 3.869 9.107 1.00 0.00 C ATOM 290 CG GLU A 20 5.976 3.504 10.512 1.00 0.00 C ATOM 291 CD GLU A 20 6.660 4.333 11.581 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.343 5.317 11.223 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.511 4.001 12.775 1.00 0.00 O ATOM 0 H GLU A 20 7.087 1.694 8.162 1.00 0.00 H new ATOM 0 HA GLU A 20 4.624 2.956 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.479 3.607 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.352 4.949 8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.897 3.638 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.179 2.448 10.691 1.00 0.00 H new ATOM 300 N ILE A 21 4.258 4.299 6.347 1.00 0.00 N ATOM 301 CA ILE A 21 3.995 5.145 5.192 1.00 0.00 C ATOM 302 C ILE A 21 4.585 6.538 5.376 1.00 0.00 C ATOM 303 O ILE A 21 3.993 7.395 6.031 1.00 0.00 O ATOM 304 CB ILE A 21 2.488 5.265 4.898 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.753 3.986 5.305 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.269 5.553 3.422 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.592 4.227 6.245 1.00 0.00 C ATOM 0 H ILE A 21 3.425 3.884 6.764 1.00 0.00 H new ATOM 0 HA ILE A 21 4.478 4.662 4.342 1.00 0.00 H new ATOM 0 HB ILE A 21 2.084 6.090 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.386 3.487 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.460 3.307 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.201 5.636 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.762 6.488 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.687 4.741 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.119 3.276 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.955 4.698 7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.136 4.881 5.764 1.00 0.00 H new ATOM 319 N LEU A 22 5.757 6.749 4.787 1.00 0.00 N ATOM 320 CA LEU A 22 6.450 8.030 4.871 1.00 0.00 C ATOM 321 C LEU A 22 5.530 9.178 4.463 1.00 0.00 C ATOM 322 O LEU A 22 5.568 10.254 5.060 1.00 0.00 O ATOM 323 CB LEU A 22 7.696 8.018 3.980 1.00 0.00 C ATOM 324 CG LEU A 22 8.443 6.680 3.913 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.647 6.789 2.991 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.879 6.240 5.304 1.00 0.00 C ATOM 0 H LEU A 22 6.251 6.043 4.242 1.00 0.00 H new ATOM 0 HA LEU A 22 6.752 8.183 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.402 8.302 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.386 8.782 4.338 1.00 0.00 H new ATOM 0 HG LEU A 22 7.764 5.928 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.166 5.831 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.315 7.060 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.325 7.555 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.407 5.289 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.541 6.993 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.002 6.123 5.940 1.00 0.00 H new ATOM 338 N VAL A 23 4.698 8.936 3.451 1.00 0.00 N ATOM 339 CA VAL A 23 3.763 9.948 2.970 1.00 0.00 C ATOM 340 C VAL A 23 2.885 9.401 1.845 1.00 0.00 C ATOM 341 O VAL A 23 3.238 8.419 1.189 1.00 0.00 O ATOM 342 CB VAL A 23 4.504 11.219 2.480 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.458 11.348 0.963 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.920 12.460 3.140 1.00 0.00 C ATOM 0 H VAL A 23 4.653 8.049 2.950 1.00 0.00 H new ATOM 0 HA VAL A 23 3.128 10.219 3.813 1.00 0.00 H new ATOM 0 HB VAL A 23 5.551 11.125 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.988 12.251 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.933 10.478 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.420 11.408 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.450 13.344 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.864 12.545 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.027 12.381 4.222 1.00 0.00 H new ATOM 354 N ALA A 24 1.751 10.055 1.620 1.00 0.00 N ATOM 355 CA ALA A 24 0.826 9.655 0.566 1.00 0.00 C ATOM 356 C ALA A 24 0.225 10.892 -0.097 1.00 0.00 C ATOM 357 O ALA A 24 0.383 12.004 0.403 1.00 0.00 O ATOM 358 CB ALA A 24 -0.257 8.748 1.123 1.00 0.00 C ATOM 0 H ALA A 24 1.449 10.868 2.156 1.00 0.00 H new ATOM 0 HA ALA A 24 1.372 9.092 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.938 8.460 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.200 7.855 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.812 9.277 1.898 1.00 0.00 H new ATOM 364 N ASN A 25 -0.425 10.712 -1.243 1.00 0.00 N ATOM 365 CA ASN A 25 -0.986 11.850 -1.967 1.00 0.00 C ATOM 366 C ASN A 25 -2.507 11.954 -1.869 1.00 0.00 C ATOM 367 O ASN A 25 -3.191 11.055 -1.388 1.00 0.00 O ATOM 368 CB ASN A 25 -0.557 11.804 -3.435 1.00 0.00 C ATOM 369 CG ASN A 25 -1.014 10.539 -4.143 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.989 9.445 -3.575 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.430 10.684 -5.394 1.00 0.00 N ATOM 0 H ASN A 25 -0.575 9.805 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.587 12.743 -1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.962 12.672 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.529 11.876 -3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.746 9.872 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.434 11.608 -5.826 1.00 0.00 H new ATOM 378 N ASP A 26 -3.007 13.091 -2.346 1.00 0.00 N ATOM 379 CA ASP A 26 -4.435 13.404 -2.346 1.00 0.00 C ATOM 380 C ASP A 26 -5.229 12.477 -3.258 1.00 0.00 C ATOM 381 O ASP A 26 -6.458 12.523 -3.280 1.00 0.00 O ATOM 382 CB ASP A 26 -4.657 14.855 -2.765 1.00 0.00 C ATOM 383 CG ASP A 26 -3.864 15.227 -4.003 1.00 0.00 C ATOM 384 OD1 ASP A 26 -4.326 14.912 -5.120 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.780 15.830 -3.855 1.00 0.00 O ATOM 0 H ASP A 26 -2.428 13.828 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.797 13.255 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.718 15.017 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.375 15.515 -1.944 1.00 0.00 H new ATOM 390 N LYS A 27 -4.530 11.621 -3.990 1.00 0.00 N ATOM 391 CA LYS A 27 -5.188 10.673 -4.875 1.00 0.00 C ATOM 392 C LYS A 27 -5.366 9.347 -4.145 1.00 0.00 C ATOM 393 O LYS A 27 -6.483 8.958 -3.808 1.00 0.00 O ATOM 394 CB LYS A 27 -4.372 10.490 -6.154 1.00 0.00 C ATOM 395 CG LYS A 27 -4.318 11.738 -7.018 1.00 0.00 C ATOM 396 CD LYS A 27 -3.852 11.422 -8.429 1.00 0.00 C ATOM 397 CE LYS A 27 -2.355 11.173 -8.478 1.00 0.00 C ATOM 398 NZ LYS A 27 -1.584 12.442 -8.579 1.00 0.00 N ATOM 0 H LYS A 27 -3.512 11.564 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.169 11.054 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.356 10.196 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.799 9.673 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.305 12.199 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.644 12.465 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.380 10.544 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.106 12.250 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.048 10.632 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.121 10.537 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.567 12.229 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.858 12.947 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.788 13.039 -7.752 1.00 0.00 H new ATOM 412 N ALA A 28 -4.249 8.672 -3.886 1.00 0.00 N ATOM 413 CA ALA A 28 -4.258 7.402 -3.166 1.00 0.00 C ATOM 414 C ALA A 28 -5.122 7.495 -1.916 1.00 0.00 C ATOM 415 O ALA A 28 -6.008 6.669 -1.688 1.00 0.00 O ATOM 416 CB ALA A 28 -2.839 7.016 -2.779 1.00 0.00 C ATOM 0 H ALA A 28 -3.320 8.986 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.677 6.639 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.854 6.067 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.231 6.915 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.413 7.789 -2.139 1.00 0.00 H new ATOM 422 N CYS A 29 -4.851 8.515 -1.109 1.00 0.00 N ATOM 423 CA CYS A 29 -5.592 8.737 0.121 1.00 0.00 C ATOM 424 C CYS A 29 -7.075 8.895 -0.178 1.00 0.00 C ATOM 425 O CYS A 29 -7.923 8.437 0.587 1.00 0.00 O ATOM 426 CB CYS A 29 -5.037 9.967 0.838 1.00 0.00 C ATOM 427 SG CYS A 29 -3.251 9.897 1.100 1.00 0.00 S ATOM 0 H CYS A 29 -4.119 9.203 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.476 7.874 0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.277 10.857 0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.535 10.072 1.802 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.643 10.451 0.093 1.00 0.00 H new ATOM 433 N GLY A 30 -7.380 9.517 -1.311 1.00 0.00 N ATOM 434 CA GLY A 30 -8.766 9.680 -1.703 1.00 0.00 C ATOM 435 C GLY A 30 -9.434 8.335 -1.907 1.00 0.00 C ATOM 436 O GLY A 30 -10.595 8.146 -1.540 1.00 0.00 O ATOM 0 H GLY A 30 -6.698 9.908 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.300 10.243 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.821 10.261 -2.624 1.00 0.00 H new ATOM 440 N LEU A 31 -8.685 7.399 -2.492 1.00 0.00 N ATOM 441 CA LEU A 31 -9.190 6.052 -2.748 1.00 0.00 C ATOM 442 C LEU A 31 -9.795 5.466 -1.473 1.00 0.00 C ATOM 443 O LEU A 31 -10.994 5.197 -1.416 1.00 0.00 O ATOM 444 CB LEU A 31 -8.062 5.162 -3.274 1.00 0.00 C ATOM 445 CG LEU A 31 -8.142 3.684 -2.889 1.00 0.00 C ATOM 446 CD1 LEU A 31 -8.149 2.818 -4.128 1.00 0.00 C ATOM 447 CD2 LEU A 31 -6.978 3.309 -1.988 1.00 0.00 C ATOM 0 H LEU A 31 -7.724 7.551 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.972 6.101 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.046 5.234 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.113 5.560 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.071 3.517 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.206 1.769 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.011 3.072 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.234 2.988 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.049 2.254 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.039 3.489 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.010 3.914 -1.082 1.00 0.00 H new ATOM 459 N LEU A 32 -8.970 5.308 -0.440 1.00 0.00 N ATOM 460 CA LEU A 32 -9.483 4.793 0.835 1.00 0.00 C ATOM 461 C LEU A 32 -10.191 5.904 1.606 1.00 0.00 C ATOM 462 O LEU A 32 -11.421 5.939 1.670 1.00 0.00 O ATOM 463 CB LEU A 32 -8.411 4.161 1.736 1.00 0.00 C ATOM 464 CG LEU A 32 -6.956 4.249 1.281 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.480 5.691 1.249 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.087 3.421 2.219 1.00 0.00 C ATOM 0 H LEU A 32 -7.973 5.521 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.179 3.997 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.483 4.626 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.659 3.107 1.863 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.878 3.854 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.441 5.724 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.097 6.263 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.560 6.123 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.047 3.480 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.177 3.808 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.415 2.382 2.196 1.00 0.00 H new ATOM 478 N GLY A 33 -9.410 6.811 2.189 1.00 0.00 N ATOM 479 CA GLY A 33 -9.987 7.909 2.946 1.00 0.00 C ATOM 480 C GLY A 33 -9.017 8.491 3.957 1.00 0.00 C ATOM 481 O GLY A 33 -9.428 8.991 5.005 1.00 0.00 O ATOM 0 H GLY A 33 -8.391 6.805 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.304 8.693 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.880 7.559 3.464 1.00 0.00 H new ATOM 485 N TYR A 34 -7.731 8.429 3.638 1.00 0.00 N ATOM 486 CA TYR A 34 -6.691 8.951 4.518 1.00 0.00 C ATOM 487 C TYR A 34 -6.046 10.194 3.912 1.00 0.00 C ATOM 488 O TYR A 34 -6.676 10.921 3.142 1.00 0.00 O ATOM 489 CB TYR A 34 -5.615 7.886 4.746 1.00 0.00 C ATOM 490 CG TYR A 34 -6.039 6.756 5.653 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.983 5.827 5.242 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.490 6.618 6.922 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.368 4.791 6.069 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.869 5.585 7.753 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.808 4.674 7.323 1.00 0.00 C ATOM 496 OH TYR A 34 -7.192 3.644 8.151 1.00 0.00 O ATOM 0 H TYR A 34 -7.381 8.020 2.772 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.152 9.218 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.321 7.471 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.732 8.364 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.424 5.915 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.754 7.331 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.105 4.075 5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.432 5.491 8.736 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.534 2.920 8.099 1.00 0.00 H new ATOM 506 N SER A 35 -4.775 10.404 4.248 1.00 0.00 N ATOM 507 CA SER A 35 -3.998 11.524 3.730 1.00 0.00 C ATOM 508 C SER A 35 -2.595 11.512 4.316 1.00 0.00 C ATOM 509 O SER A 35 -2.373 10.990 5.407 1.00 0.00 O ATOM 510 CB SER A 35 -4.665 12.863 3.998 1.00 0.00 C ATOM 511 OG SER A 35 -4.681 13.166 5.381 1.00 0.00 O ATOM 0 H SER A 35 -4.256 9.802 4.887 1.00 0.00 H new ATOM 0 HA SER A 35 -3.940 11.400 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.136 13.649 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.686 12.845 3.616 1.00 0.00 H new ATOM 0 HG SER A 35 -5.608 13.271 5.682 1.00 0.00 H new ATOM 517 N SER A 36 -1.659 12.073 3.569 1.00 0.00 N ATOM 518 CA SER A 36 -0.255 12.131 3.974 1.00 0.00 C ATOM 519 C SER A 36 -0.081 12.428 5.468 1.00 0.00 C ATOM 520 O SER A 36 0.870 11.953 6.088 1.00 0.00 O ATOM 521 CB SER A 36 0.482 13.191 3.155 1.00 0.00 C ATOM 522 OG SER A 36 0.708 14.363 3.918 1.00 0.00 O ATOM 0 H SER A 36 -1.846 12.503 2.663 1.00 0.00 H new ATOM 0 HA SER A 36 0.169 11.145 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.435 12.790 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.100 13.438 2.268 1.00 0.00 H new ATOM 0 HG SER A 36 1.182 15.023 3.371 1.00 0.00 H new ATOM 528 N GLN A 37 -0.978 13.229 6.034 1.00 0.00 N ATOM 529 CA GLN A 37 -0.882 13.593 7.449 1.00 0.00 C ATOM 530 C GLN A 37 -1.802 12.756 8.340 1.00 0.00 C ATOM 531 O GLN A 37 -1.567 12.645 9.544 1.00 0.00 O ATOM 532 CB GLN A 37 -1.199 15.080 7.639 1.00 0.00 C ATOM 533 CG GLN A 37 -2.116 15.655 6.570 1.00 0.00 C ATOM 534 CD GLN A 37 -2.264 17.159 6.676 1.00 0.00 C ATOM 535 OE1 GLN A 37 -1.509 17.913 6.059 1.00 0.00 O ATOM 536 NE2 GLN A 37 -3.239 17.606 7.458 1.00 0.00 N ATOM 0 H GLN A 37 -1.774 13.637 5.543 1.00 0.00 H new ATOM 0 HA GLN A 37 0.144 13.388 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.662 15.221 8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.266 15.643 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.724 15.401 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.099 15.190 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.841 16.946 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.386 18.609 7.566 1.00 0.00 H new ATOM 545 N ASP A 38 -2.858 12.193 7.764 1.00 0.00 N ATOM 546 CA ASP A 38 -3.811 11.399 8.537 1.00 0.00 C ATOM 547 C ASP A 38 -3.491 9.906 8.509 1.00 0.00 C ATOM 548 O ASP A 38 -4.171 9.114 9.157 1.00 0.00 O ATOM 549 CB ASP A 38 -5.228 11.622 8.012 1.00 0.00 C ATOM 550 CG ASP A 38 -5.725 13.032 8.269 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.307 13.635 9.280 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.533 13.531 7.458 1.00 0.00 O ATOM 0 H ASP A 38 -3.077 12.270 6.771 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.734 11.734 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.251 11.421 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.904 10.910 8.485 1.00 0.00 H new ATOM 557 N LEU A 39 -2.470 9.520 7.753 1.00 0.00 N ATOM 558 CA LEU A 39 -2.103 8.110 7.657 1.00 0.00 C ATOM 559 C LEU A 39 -0.634 7.872 8.001 1.00 0.00 C ATOM 560 O LEU A 39 -0.245 6.751 8.330 1.00 0.00 O ATOM 561 CB LEU A 39 -2.410 7.582 6.253 1.00 0.00 C ATOM 562 CG LEU A 39 -1.517 8.122 5.134 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.327 7.204 4.909 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.314 8.275 3.849 1.00 0.00 C ATOM 0 H LEU A 39 -1.888 10.153 7.204 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.700 7.566 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.327 6.495 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.446 7.820 6.013 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.145 9.102 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.296 7.605 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.259 7.136 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.681 6.211 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.665 8.660 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.711 7.305 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.138 8.970 4.012 1.00 0.00 H new ATOM 576 N ILE A 40 0.177 8.922 7.922 1.00 0.00 N ATOM 577 CA ILE A 40 1.599 8.803 8.226 1.00 0.00 C ATOM 578 C ILE A 40 1.815 8.304 9.654 1.00 0.00 C ATOM 579 O ILE A 40 1.161 8.764 10.591 1.00 0.00 O ATOM 580 CB ILE A 40 2.330 10.150 8.014 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.840 9.922 7.839 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.046 11.116 9.160 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.599 9.742 9.137 1.00 0.00 C ATOM 0 H ILE A 40 -0.123 9.859 7.652 1.00 0.00 H new ATOM 0 HA ILE A 40 2.021 8.071 7.537 1.00 0.00 H new ATOM 0 HB ILE A 40 1.948 10.605 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.992 9.040 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.263 10.769 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.573 12.054 8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.974 11.307 9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.388 10.678 10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.656 9.587 8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.481 10.633 9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.207 8.877 9.671 1.00 0.00 H new ATOM 595 N GLY A 41 2.734 7.355 9.811 1.00 0.00 N ATOM 596 CA GLY A 41 3.019 6.805 11.126 1.00 0.00 C ATOM 597 C GLY A 41 2.746 5.315 11.214 1.00 0.00 C ATOM 598 O GLY A 41 3.426 4.598 11.947 1.00 0.00 O ATOM 0 H GLY A 41 3.286 6.957 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.063 6.993 11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.416 7.325 11.870 1.00 0.00 H new ATOM 602 N GLN A 42 1.748 4.848 10.469 1.00 0.00 N ATOM 603 CA GLN A 42 1.389 3.432 10.472 1.00 0.00 C ATOM 604 C GLN A 42 1.822 2.758 9.173 1.00 0.00 C ATOM 605 O GLN A 42 2.566 3.336 8.382 1.00 0.00 O ATOM 606 CB GLN A 42 -0.120 3.267 10.667 1.00 0.00 C ATOM 607 CG GLN A 42 -0.776 4.425 11.400 1.00 0.00 C ATOM 608 CD GLN A 42 -2.276 4.472 11.189 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.048 4.018 12.034 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.697 5.022 10.057 1.00 0.00 N ATOM 0 H GLN A 42 1.174 5.428 9.856 1.00 0.00 H new ATOM 0 HA GLN A 42 1.910 2.953 11.301 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.592 3.153 9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.306 2.347 11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.565 4.342 12.466 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.335 5.362 11.060 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.022 5.386 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.696 5.081 9.859 1.00 0.00 H new ATOM 619 N LYS A 43 1.347 1.533 8.958 1.00 0.00 N ATOM 620 CA LYS A 43 1.679 0.782 7.748 1.00 0.00 C ATOM 621 C LYS A 43 0.487 0.749 6.800 1.00 0.00 C ATOM 622 O LYS A 43 -0.641 0.502 7.225 1.00 0.00 O ATOM 623 CB LYS A 43 2.106 -0.643 8.103 1.00 0.00 C ATOM 624 CG LYS A 43 3.056 -0.716 9.289 1.00 0.00 C ATOM 625 CD LYS A 43 2.527 -1.646 10.368 1.00 0.00 C ATOM 626 CE LYS A 43 3.658 -2.271 11.168 1.00 0.00 C ATOM 627 NZ LYS A 43 4.347 -1.272 12.030 1.00 0.00 N ATOM 0 H LYS A 43 0.732 1.039 9.605 1.00 0.00 H new ATOM 0 HA LYS A 43 2.510 1.282 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.218 -1.236 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.585 -1.097 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.033 -1.064 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.199 0.282 9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.870 -1.091 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.926 -2.432 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.262 -3.075 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.379 -2.721 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.111 -1.738 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.747 -0.518 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.665 -0.861 12.698 1.00 0.00 H new ATOM 641 N LEU A 44 0.734 1.037 5.523 1.00 0.00 N ATOM 642 CA LEU A 44 -0.340 1.072 4.524 1.00 0.00 C ATOM 643 C LEU A 44 -1.263 -0.145 4.601 1.00 0.00 C ATOM 644 O LEU A 44 -2.482 0.002 4.648 1.00 0.00 O ATOM 645 CB LEU A 44 0.216 1.195 3.098 1.00 0.00 C ATOM 646 CG LEU A 44 1.665 0.747 2.884 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.793 -0.763 2.998 1.00 0.00 C ATOM 648 CD2 LEU A 44 2.157 1.214 1.522 1.00 0.00 C ATOM 0 H LEU A 44 1.661 1.249 5.155 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.928 1.959 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.422 0.613 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.133 2.237 2.789 1.00 0.00 H new ATOM 0 HG LEU A 44 2.281 1.198 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.832 -1.053 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.473 -1.081 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.166 -1.239 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.188 0.892 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.529 0.784 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.106 2.302 1.470 1.00 0.00 H new ATOM 660 N THR A 45 -0.680 -1.341 4.583 1.00 0.00 N ATOM 661 CA THR A 45 -1.456 -2.584 4.613 1.00 0.00 C ATOM 662 C THR A 45 -2.443 -2.644 5.774 1.00 0.00 C ATOM 663 O THR A 45 -3.358 -3.469 5.770 1.00 0.00 O ATOM 664 CB THR A 45 -0.547 -3.823 4.668 1.00 0.00 C ATOM 665 OG1 THR A 45 -1.160 -4.852 5.452 1.00 0.00 O ATOM 666 CG2 THR A 45 0.816 -3.483 5.247 1.00 0.00 C ATOM 0 H THR A 45 0.330 -1.479 4.548 1.00 0.00 H new ATOM 0 HA THR A 45 -2.023 -2.588 3.682 1.00 0.00 H new ATOM 0 HB THR A 45 -0.407 -4.178 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.176 -5.688 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.435 -4.380 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.297 -2.728 4.626 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.695 -3.097 6.259 1.00 0.00 H new ATOM 674 N GLN A 46 -2.272 -1.771 6.756 1.00 0.00 N ATOM 675 CA GLN A 46 -3.176 -1.748 7.899 1.00 0.00 C ATOM 676 C GLN A 46 -4.582 -1.423 7.427 1.00 0.00 C ATOM 677 O GLN A 46 -5.568 -1.751 8.085 1.00 0.00 O ATOM 678 CB GLN A 46 -2.715 -0.719 8.934 1.00 0.00 C ATOM 679 CG GLN A 46 -3.416 -0.853 10.275 1.00 0.00 C ATOM 680 CD GLN A 46 -2.990 0.213 11.265 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.720 0.600 11.211 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.793 0.683 12.071 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.525 -1.077 6.786 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.171 -2.730 8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.640 -0.822 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.888 0.283 8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.494 -0.794 10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.206 -1.837 10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.759 0.357 12.078 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.492 1.399 12.732 1.00 0.00 H new ATOM 691 N PHE A 47 -4.655 -0.771 6.274 1.00 0.00 N ATOM 692 CA PHE A 47 -5.929 -0.384 5.685 1.00 0.00 C ATOM 693 C PHE A 47 -6.197 -1.183 4.414 1.00 0.00 C ATOM 694 O PHE A 47 -6.541 -0.621 3.373 1.00 0.00 O ATOM 695 CB PHE A 47 -5.941 1.116 5.374 1.00 0.00 C ATOM 696 CG PHE A 47 -4.855 1.896 6.066 1.00 0.00 C ATOM 697 CD1 PHE A 47 -4.788 1.943 7.449 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.905 2.585 5.329 1.00 0.00 C ATOM 699 CE1 PHE A 47 -3.793 2.661 8.085 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.907 3.305 5.960 1.00 0.00 C ATOM 701 CZ PHE A 47 -2.853 3.342 7.339 1.00 0.00 C ATOM 0 H PHE A 47 -3.840 -0.498 5.725 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.718 -0.600 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.843 1.254 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.909 1.528 5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.522 1.412 8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.944 2.559 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.751 2.689 9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.171 3.837 5.375 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.075 3.904 7.834 1.00 0.00 H new ATOM 711 N PHE A 48 -6.028 -2.498 4.509 1.00 0.00 N ATOM 712 CA PHE A 48 -6.244 -3.393 3.375 1.00 0.00 C ATOM 713 C PHE A 48 -6.703 -4.763 3.859 1.00 0.00 C ATOM 714 O PHE A 48 -6.326 -5.189 4.951 1.00 0.00 O ATOM 715 CB PHE A 48 -4.960 -3.538 2.552 1.00 0.00 C ATOM 716 CG PHE A 48 -4.557 -2.278 1.838 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.027 -2.009 0.567 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.712 -1.364 2.441 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.663 -0.851 -0.092 1.00 0.00 C ATOM 720 CE2 PHE A 48 -3.342 -0.205 1.789 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.818 0.053 0.520 1.00 0.00 C ATOM 0 H PHE A 48 -5.740 -2.971 5.366 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.020 -2.961 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.149 -3.847 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.096 -4.333 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.687 -2.713 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.337 -1.560 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.039 -0.653 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.681 0.499 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.531 0.959 0.007 1.00 0.00 H new ATOM 731 N LEU A 49 -7.512 -5.436 3.030 1.00 0.00 N ATOM 732 CA LEU A 49 -8.051 -6.773 3.329 1.00 0.00 C ATOM 733 C LEU A 49 -7.699 -7.244 4.740 1.00 0.00 C ATOM 734 O LEU A 49 -6.613 -7.770 4.976 1.00 0.00 O ATOM 735 CB LEU A 49 -7.562 -7.807 2.295 1.00 0.00 C ATOM 736 CG LEU A 49 -6.217 -7.520 1.600 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.336 -6.356 0.629 1.00 0.00 C ATOM 738 CD2 LEU A 49 -5.116 -7.257 2.616 1.00 0.00 C ATOM 0 H LEU A 49 -7.814 -5.068 2.128 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.136 -6.689 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.487 -8.774 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.327 -7.904 1.525 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.948 -8.410 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.371 -6.178 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.077 -6.593 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.645 -5.461 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.180 -7.058 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.382 -6.394 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.996 -8.131 3.257 1.00 0.00 H new ATOM 750 N ARG A 50 -8.625 -7.044 5.676 1.00 0.00 N ATOM 751 CA ARG A 50 -8.415 -7.437 7.070 1.00 0.00 C ATOM 752 C ARG A 50 -7.300 -6.607 7.699 1.00 0.00 C ATOM 753 O ARG A 50 -6.122 -6.781 7.381 1.00 0.00 O ATOM 754 CB ARG A 50 -8.091 -8.930 7.174 1.00 0.00 C ATOM 755 CG ARG A 50 -7.689 -9.369 8.574 1.00 0.00 C ATOM 756 CD ARG A 50 -8.849 -9.252 9.549 1.00 0.00 C ATOM 757 NE ARG A 50 -9.332 -10.559 9.985 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.424 -10.735 10.722 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.143 -9.689 11.109 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.796 -11.957 11.074 1.00 0.00 N ATOM 0 H ARG A 50 -9.531 -6.611 5.495 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.339 -7.249 7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.961 -9.505 6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.283 -9.167 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.338 -10.401 8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.856 -8.758 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.535 -8.673 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.664 -8.703 9.078 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.801 -11.385 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.858 -8.747 10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.981 -9.827 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.244 -12.763 10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.634 -12.092 11.640 1.00 0.00 H new ATOM 774 N SER A 51 -7.684 -5.693 8.581 1.00 0.00 N ATOM 775 CA SER A 51 -6.735 -4.809 9.249 1.00 0.00 C ATOM 776 C SER A 51 -6.186 -5.416 10.539 1.00 0.00 C ATOM 777 O SER A 51 -5.347 -4.808 11.204 1.00 0.00 O ATOM 778 CB SER A 51 -7.402 -3.471 9.563 1.00 0.00 C ATOM 779 OG SER A 51 -8.772 -3.645 9.882 1.00 0.00 O ATOM 0 H SER A 51 -8.656 -5.543 8.853 1.00 0.00 H new ATOM 0 HA SER A 51 -5.897 -4.662 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.889 -2.993 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.307 -2.804 8.706 1.00 0.00 H new ATOM 0 HG SER A 51 -9.175 -2.774 10.080 1.00 0.00 H new ATOM 785 N ASP A 52 -6.679 -6.592 10.914 1.00 0.00 N ATOM 786 CA ASP A 52 -6.237 -7.229 12.153 1.00 0.00 C ATOM 787 C ASP A 52 -4.992 -8.102 11.965 1.00 0.00 C ATOM 788 O ASP A 52 -3.907 -7.748 12.427 1.00 0.00 O ATOM 789 CB ASP A 52 -7.372 -8.070 12.740 1.00 0.00 C ATOM 790 CG ASP A 52 -7.374 -8.063 14.257 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.280 -7.963 14.852 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.469 -8.157 14.849 1.00 0.00 O ATOM 0 H ASP A 52 -7.376 -7.119 10.387 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.965 -6.428 12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.327 -7.690 12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.281 -9.096 12.384 1.00 0.00 H new ATOM 797 N SER A 53 -5.158 -9.253 11.318 1.00 0.00 N ATOM 798 CA SER A 53 -4.044 -10.182 11.113 1.00 0.00 C ATOM 799 C SER A 53 -3.342 -9.984 9.770 1.00 0.00 C ATOM 800 O SER A 53 -2.115 -9.917 9.711 1.00 0.00 O ATOM 801 CB SER A 53 -4.544 -11.624 11.220 1.00 0.00 C ATOM 802 OG SER A 53 -5.631 -11.855 10.341 1.00 0.00 O ATOM 0 H SER A 53 -6.047 -9.566 10.928 1.00 0.00 H new ATOM 0 HA SER A 53 -3.312 -9.974 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.731 -12.312 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.852 -11.830 12.245 1.00 0.00 H new ATOM 0 HG SER A 53 -5.930 -12.784 10.428 1.00 0.00 H new ATOM 808 N ASP A 54 -4.126 -9.939 8.701 1.00 0.00 N ATOM 809 CA ASP A 54 -3.597 -9.795 7.342 1.00 0.00 C ATOM 810 C ASP A 54 -2.452 -8.788 7.241 1.00 0.00 C ATOM 811 O ASP A 54 -1.447 -9.060 6.592 1.00 0.00 O ATOM 812 CB ASP A 54 -4.716 -9.398 6.386 1.00 0.00 C ATOM 813 CG ASP A 54 -4.711 -10.223 5.115 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.625 -10.698 4.719 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.792 -10.395 4.515 1.00 0.00 O ATOM 0 H ASP A 54 -5.143 -10.001 8.746 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.188 -10.767 7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.677 -9.514 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.615 -8.343 6.131 1.00 0.00 H new ATOM 820 N VAL A 55 -2.608 -7.622 7.858 1.00 0.00 N ATOM 821 CA VAL A 55 -1.571 -6.592 7.795 1.00 0.00 C ATOM 822 C VAL A 55 -0.239 -7.091 8.359 1.00 0.00 C ATOM 823 O VAL A 55 0.828 -6.696 7.886 1.00 0.00 O ATOM 824 CB VAL A 55 -2.002 -5.295 8.521 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.820 -5.608 9.762 1.00 0.00 C ATOM 826 CG2 VAL A 55 -0.794 -4.437 8.879 1.00 0.00 C ATOM 0 H VAL A 55 -3.432 -7.365 8.402 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.431 -6.362 6.739 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.630 -4.728 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.109 -4.678 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.715 -6.162 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.224 -6.209 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.128 -3.533 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.130 -4.999 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.259 -4.165 7.969 1.00 0.00 H new ATOM 836 N VAL A 56 -0.303 -7.953 9.364 1.00 0.00 N ATOM 837 CA VAL A 56 0.905 -8.492 9.984 1.00 0.00 C ATOM 838 C VAL A 56 1.563 -9.565 9.117 1.00 0.00 C ATOM 839 O VAL A 56 2.764 -9.814 9.232 1.00 0.00 O ATOM 840 CB VAL A 56 0.606 -9.086 11.374 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.893 -9.280 12.161 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.366 -8.198 12.138 1.00 0.00 C ATOM 0 H VAL A 56 -1.175 -8.295 9.768 1.00 0.00 H new ATOM 0 HA VAL A 56 1.594 -7.654 10.089 1.00 0.00 H new ATOM 0 HB VAL A 56 0.140 -10.062 11.238 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.661 -9.700 13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.551 -9.960 11.620 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.390 -8.318 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.565 -8.634 13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.069 -7.207 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.299 -8.117 11.581 1.00 0.00 H new ATOM 852 N GLU A 57 0.777 -10.203 8.255 1.00 0.00 N ATOM 853 CA GLU A 57 1.297 -11.255 7.380 1.00 0.00 C ATOM 854 C GLU A 57 1.797 -10.685 6.056 1.00 0.00 C ATOM 855 O GLU A 57 2.833 -11.104 5.541 1.00 0.00 O ATOM 856 CB GLU A 57 0.222 -12.315 7.111 1.00 0.00 C ATOM 857 CG GLU A 57 -1.037 -12.148 7.950 1.00 0.00 C ATOM 858 CD GLU A 57 -1.258 -13.306 8.905 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.630 -14.401 8.435 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.060 -13.114 10.123 1.00 0.00 O ATOM 0 H GLU A 57 -0.219 -10.013 8.142 1.00 0.00 H new ATOM 0 HA GLU A 57 2.139 -11.718 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.050 -12.282 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.644 -13.302 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.970 -11.220 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.900 -12.056 7.290 1.00 0.00 H new ATOM 867 N ALA A 58 1.043 -9.741 5.504 1.00 0.00 N ATOM 868 CA ALA A 58 1.387 -9.116 4.228 1.00 0.00 C ATOM 869 C ALA A 58 2.780 -8.487 4.244 1.00 0.00 C ATOM 870 O ALA A 58 3.364 -8.236 3.191 1.00 0.00 O ATOM 871 CB ALA A 58 0.345 -8.069 3.864 1.00 0.00 C ATOM 0 H ALA A 58 0.182 -9.388 5.923 1.00 0.00 H new ATOM 0 HA ALA A 58 1.397 -9.903 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.609 -7.608 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.633 -8.543 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.311 -7.304 4.640 1.00 0.00 H new ATOM 1086 N PHE A 74 -1.351 -9.278 -0.105 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.922 -7.952 -0.549 1.00 0.00 C ATOM 1088 C PHE A 74 0.055 -8.077 -1.715 1.00 0.00 C ATOM 1089 O PHE A 74 0.569 -9.161 -1.989 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.269 -7.178 0.605 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.627 -5.710 0.650 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.828 -5.241 0.123 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.249 -4.793 1.220 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.139 -3.896 0.165 1.00 0.00 C ATOM 1095 CE2 PHE A 74 -0.063 -3.450 1.267 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.256 -3.001 0.738 1.00 0.00 C ATOM 0 HA PHE A 74 -1.802 -7.400 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.561 -7.640 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.814 -7.274 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.523 -5.936 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.186 -5.137 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.072 -3.544 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.626 -2.751 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.500 -1.949 0.772 1.00 0.00 H new ATOM 1106 N GLY A 75 0.302 -6.968 -2.406 1.00 0.00 N ATOM 1107 CA GLY A 75 1.209 -6.988 -3.538 1.00 0.00 C ATOM 1108 C GLY A 75 0.600 -7.677 -4.745 1.00 0.00 C ATOM 1109 O GLY A 75 1.302 -8.045 -5.687 1.00 0.00 O ATOM 0 H GLY A 75 -0.110 -6.057 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.480 -5.966 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.129 -7.499 -3.256 1.00 0.00 H new ATOM 1113 N THR A 76 -0.718 -7.845 -4.708 1.00 0.00 N ATOM 1114 CA THR A 76 -1.453 -8.488 -5.791 1.00 0.00 C ATOM 1115 C THR A 76 -2.860 -7.910 -5.906 1.00 0.00 C ATOM 1116 O THR A 76 -3.328 -7.217 -5.003 1.00 0.00 O ATOM 1117 CB THR A 76 -1.550 -10.011 -5.584 1.00 0.00 C ATOM 1118 OG1 THR A 76 -1.003 -10.370 -4.311 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.812 -10.753 -6.688 1.00 0.00 C ATOM 0 H THR A 76 -1.304 -7.541 -3.930 1.00 0.00 H new ATOM 0 HA THR A 76 -0.901 -8.294 -6.711 1.00 0.00 H new ATOM 0 HB THR A 76 -2.602 -10.294 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.070 -11.340 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.894 -11.827 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.252 -10.501 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.239 -10.464 -6.681 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.541 -8.201 -7.011 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.902 -7.713 -7.201 1.00 0.00 C ATOM 1129 C VAL A 77 -5.814 -8.353 -6.156 1.00 0.00 C ATOM 1130 O VAL A 77 -6.206 -9.514 -6.283 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.429 -8.020 -8.619 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.119 -9.456 -9.014 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.924 -7.745 -8.718 1.00 0.00 C ATOM 0 H VAL A 77 -3.178 -8.765 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.896 -6.629 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.917 -7.357 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.500 -9.648 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.040 -9.613 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.594 -10.138 -8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.269 -7.970 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.457 -8.372 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.117 -6.696 -8.494 1.00 0.00 H new ATOM 1143 N VAL A 78 -6.111 -7.604 -5.097 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.933 -8.122 -4.010 1.00 0.00 C ATOM 1145 C VAL A 78 -8.044 -7.162 -3.599 1.00 0.00 C ATOM 1146 O VAL A 78 -8.050 -5.991 -3.978 1.00 0.00 O ATOM 1147 CB VAL A 78 -6.068 -8.391 -2.765 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -5.248 -9.659 -2.932 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -5.161 -7.200 -2.488 1.00 0.00 C ATOM 0 H VAL A 78 -5.796 -6.642 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.383 -9.040 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.732 -8.533 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.647 -9.824 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.916 -10.507 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.592 -9.557 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.554 -7.402 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.509 -7.032 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.769 -6.312 -2.315 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.958 -7.674 -2.780 1.00 0.00 N ATOM 1160 CA ASP A 79 -10.057 -6.876 -2.256 1.00 0.00 C ATOM 1161 C ASP A 79 -9.573 -6.143 -1.014 1.00 0.00 C ATOM 1162 O ASP A 79 -9.255 -6.766 -0.003 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.259 -7.762 -1.919 1.00 0.00 C ATOM 1164 CG ASP A 79 -12.243 -7.863 -3.068 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.996 -8.664 -3.993 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -13.262 -7.140 -3.044 1.00 0.00 O ATOM 0 H ASP A 79 -8.957 -8.644 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.378 -6.157 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.909 -8.760 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.768 -7.361 -1.043 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.491 -4.823 -1.107 1.00 0.00 N ATOM 1172 CA ILE A 80 -9.007 -4.014 0.001 1.00 0.00 C ATOM 1173 C ILE A 80 -10.149 -3.401 0.802 1.00 0.00 C ATOM 1174 O ILE A 80 -11.310 -3.457 0.399 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.079 -2.895 -0.512 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.889 -1.750 -1.125 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -7.099 -3.458 -1.529 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.466 -0.383 -0.632 1.00 0.00 C ATOM 0 H ILE A 80 -9.753 -4.291 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.449 -4.678 0.661 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.520 -2.495 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.788 -1.784 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.945 -1.899 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.447 -2.661 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.497 -4.237 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.650 -3.881 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.081 0.381 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.593 -0.331 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.419 -0.214 -0.883 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.798 -2.818 1.942 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.773 -2.186 2.818 1.00 0.00 C ATOM 1192 C ILE A 81 -10.223 -0.881 3.376 1.00 0.00 C ATOM 1193 O ILE A 81 -9.057 -0.805 3.759 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.153 -3.110 3.991 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -9.901 -3.775 4.566 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.155 -4.157 3.537 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.061 -4.210 6.006 1.00 0.00 C ATOM 0 H ILE A 81 -8.837 -2.771 2.282 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.663 -1.986 2.222 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.617 -2.510 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.648 -4.643 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.064 -3.080 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.413 -4.802 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.054 -3.664 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.717 -4.758 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.137 -4.674 6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.285 -3.342 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.877 -4.929 6.080 1.00 0.00 H new ATOM 1209 N SER A 82 -11.062 0.146 3.417 1.00 0.00 N ATOM 1210 CA SER A 82 -10.643 1.446 3.927 1.00 0.00 C ATOM 1211 C SER A 82 -10.994 1.595 5.403 1.00 0.00 C ATOM 1212 O SER A 82 -11.725 0.778 5.962 1.00 0.00 O ATOM 1213 CB SER A 82 -11.294 2.568 3.117 1.00 0.00 C ATOM 1214 OG SER A 82 -12.512 2.987 3.710 1.00 0.00 O ATOM 0 H SER A 82 -12.032 0.105 3.105 1.00 0.00 H new ATOM 0 HA SER A 82 -9.560 1.515 3.825 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.610 3.414 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.481 2.225 2.100 1.00 0.00 H new ATOM 0 HG SER A 82 -12.907 3.706 3.174 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.456 2.639 6.027 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.695 2.905 7.447 1.00 0.00 C ATOM 1222 C ARG A 83 -12.175 2.792 7.816 1.00 0.00 C ATOM 1223 O ARG A 83 -12.512 2.500 8.964 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.192 4.301 7.817 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.004 5.426 7.190 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.159 6.670 6.972 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.449 7.707 7.957 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.389 8.634 7.798 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.126 8.656 6.695 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.593 9.542 8.743 1.00 0.00 N ATOM 0 H ARG A 83 -9.848 3.319 5.571 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.147 2.148 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.212 4.410 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.152 4.398 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.414 5.092 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.850 5.668 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.103 6.405 7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.340 7.060 5.971 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.899 7.722 8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.973 7.960 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.846 9.369 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.029 9.530 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.314 10.253 8.620 1.00 0.00 H new ATOM 1244 N SER A 84 -13.056 3.045 6.852 1.00 0.00 N ATOM 1245 CA SER A 84 -14.494 2.987 7.101 1.00 0.00 C ATOM 1246 C SER A 84 -15.082 1.630 6.722 1.00 0.00 C ATOM 1247 O SER A 84 -16.154 1.256 7.196 1.00 0.00 O ATOM 1248 CB SER A 84 -15.204 4.095 6.323 1.00 0.00 C ATOM 1249 OG SER A 84 -15.057 3.914 4.926 1.00 0.00 O ATOM 0 H SER A 84 -12.801 3.291 5.895 1.00 0.00 H new ATOM 0 HA SER A 84 -14.650 3.130 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.263 4.104 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.797 5.064 6.612 1.00 0.00 H new ATOM 0 HG SER A 84 -14.188 3.502 4.739 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.379 0.901 5.863 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.855 -0.401 5.435 1.00 0.00 C ATOM 1257 C GLY A 85 -15.467 -0.362 4.054 1.00 0.00 C ATOM 1258 O GLY A 85 -16.631 0.007 3.893 1.00 0.00 O ATOM 0 H GLY A 85 -13.489 1.188 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.026 -1.109 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.594 -0.767 6.147 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.682 -0.745 3.053 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.150 -0.757 1.673 1.00 0.00 C ATOM 1264 C GLU A 86 -14.514 -1.906 0.899 1.00 0.00 C ATOM 1265 O GLU A 86 -13.418 -1.766 0.356 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.829 0.573 0.980 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.107 1.804 1.831 1.00 0.00 C ATOM 1268 CD GLU A 86 -16.288 2.607 1.327 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -17.439 2.191 1.574 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.062 3.655 0.686 1.00 0.00 O ATOM 0 H GLU A 86 -13.717 -1.052 3.173 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.231 -0.896 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.778 0.575 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.412 0.641 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.295 1.495 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.221 2.439 1.846 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.205 -3.042 0.857 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.699 -4.216 0.149 1.00 0.00 C ATOM 1279 C LYS A 87 -14.701 -3.982 -1.357 1.00 0.00 C ATOM 1280 O LYS A 87 -15.666 -4.311 -2.046 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.536 -5.456 0.486 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.247 -5.374 1.827 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.278 -5.547 2.985 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.781 -6.572 3.987 1.00 0.00 C ATOM 1285 NZ LYS A 87 -17.259 -6.508 4.157 1.00 0.00 N ATOM 0 H LYS A 87 -16.113 -3.175 1.302 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.673 -4.386 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.278 -5.606 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.887 -6.332 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.751 -4.411 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.018 -6.143 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.306 -5.858 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.133 -4.589 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.497 -7.571 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.298 -6.405 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.506 -6.750 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.592 -5.546 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.713 -7.183 3.509 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.614 -3.408 -1.861 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.483 -3.125 -3.280 1.00 0.00 C ATOM 1301 C ILE A 88 -12.204 -3.744 -3.843 1.00 0.00 C ATOM 1302 O ILE A 88 -11.118 -3.538 -3.303 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.478 -1.604 -3.541 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -14.900 -1.049 -3.462 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -12.861 -1.297 -4.893 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -15.048 0.099 -2.488 1.00 0.00 C ATOM 0 H ILE A 88 -12.808 -3.129 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.343 -3.567 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.874 -1.122 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.207 -0.715 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.579 -1.851 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.866 -0.220 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.834 -1.663 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.439 -1.788 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -16.083 0.442 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -14.773 -0.235 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.395 0.918 -2.789 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.315 -4.514 -4.941 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.160 -5.158 -5.571 1.00 0.00 C ATOM 1320 C PRO A 89 -10.305 -4.168 -6.352 1.00 0.00 C ATOM 1321 O PRO A 89 -10.828 -3.318 -7.072 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.798 -6.178 -6.512 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.120 -5.589 -6.865 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.573 -4.815 -5.656 1.00 0.00 C ATOM 0 HA PRO A 89 -10.484 -5.600 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.185 -6.336 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.913 -7.147 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.036 -4.938 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.838 -6.369 -7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.101 -3.904 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.255 -5.400 -5.038 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.988 -4.291 -6.212 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.058 -3.411 -6.911 1.00 0.00 C ATOM 1334 C VAL A 90 -6.757 -4.142 -7.225 1.00 0.00 C ATOM 1335 O VAL A 90 -6.619 -5.330 -6.936 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.731 -2.144 -6.090 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.982 -1.309 -5.858 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.082 -2.516 -4.767 1.00 0.00 C ATOM 0 H VAL A 90 -8.541 -4.992 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.549 -3.109 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.025 -1.543 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.725 -0.423 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.400 -1.006 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.718 -1.900 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.859 -1.610 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.763 -3.143 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.158 -3.062 -4.956 1.00 0.00 H new ATOM 1348 N SER A 91 -5.810 -3.421 -7.807 1.00 0.00 N ATOM 1349 CA SER A 91 -4.514 -3.992 -8.154 1.00 0.00 C ATOM 1350 C SER A 91 -3.428 -3.441 -7.240 1.00 0.00 C ATOM 1351 O SER A 91 -3.247 -2.227 -7.145 1.00 0.00 O ATOM 1352 CB SER A 91 -4.172 -3.690 -9.613 1.00 0.00 C ATOM 1353 OG SER A 91 -5.345 -3.603 -10.404 1.00 0.00 O ATOM 0 H SER A 91 -5.914 -2.436 -8.050 1.00 0.00 H new ATOM 0 HA SER A 91 -4.569 -5.073 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.618 -2.753 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.521 -4.471 -10.006 1.00 0.00 H new ATOM 0 HG SER A 91 -5.100 -3.407 -11.332 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.704 -4.331 -6.566 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.642 -3.908 -5.663 1.00 0.00 C ATOM 1361 C VAL A 92 -0.301 -4.513 -6.059 1.00 0.00 C ATOM 1362 O VAL A 92 -0.208 -5.700 -6.362 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.954 -4.296 -4.204 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.804 -3.910 -3.281 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.254 -3.647 -3.747 1.00 0.00 C ATOM 0 H VAL A 92 -2.833 -5.341 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.583 -2.822 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.074 -5.378 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.048 -4.194 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.103 -4.427 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.644 -2.833 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.459 -3.931 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.162 -2.563 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.072 -3.982 -4.385 1.00 0.00 H new ATOM 1375 N TRP A 93 0.735 -3.683 -6.043 1.00 0.00 N ATOM 1376 CA TRP A 93 2.082 -4.131 -6.379 1.00 0.00 C ATOM 1377 C TRP A 93 3.115 -3.358 -5.567 1.00 0.00 C ATOM 1378 O TRP A 93 3.338 -2.169 -5.794 1.00 0.00 O ATOM 1379 CB TRP A 93 2.372 -3.990 -7.881 1.00 0.00 C ATOM 1380 CG TRP A 93 1.474 -3.037 -8.611 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.147 -3.200 -8.889 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.853 -1.779 -9.183 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.326 -2.115 -9.586 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.701 -1.231 -9.779 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.050 -1.062 -9.242 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.717 -0.001 -10.429 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.063 0.158 -9.888 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.903 0.680 -10.475 1.00 0.00 C ATOM 0 H TRP A 93 0.668 -2.694 -5.801 1.00 0.00 H new ATOM 0 HA TRP A 93 2.149 -5.190 -6.128 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.404 -3.663 -8.008 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.289 -4.972 -8.346 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.444 -4.057 -8.603 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.286 -1.989 -9.907 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.949 -1.455 -8.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.176 0.403 -10.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.984 0.720 -9.942 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.946 1.637 -10.973 1.00 0.00 H new ATOM 1399 N MET A 94 3.735 -4.046 -4.614 1.00 0.00 N ATOM 1400 CA MET A 94 4.740 -3.430 -3.755 1.00 0.00 C ATOM 1401 C MET A 94 6.145 -3.742 -4.257 1.00 0.00 C ATOM 1402 O MET A 94 6.390 -4.798 -4.837 1.00 0.00 O ATOM 1403 CB MET A 94 4.580 -3.919 -2.314 1.00 0.00 C ATOM 1404 CG MET A 94 4.649 -2.806 -1.280 1.00 0.00 C ATOM 1405 SD MET A 94 4.782 -3.432 0.407 1.00 0.00 S ATOM 1406 CE MET A 94 4.718 -1.907 1.343 1.00 0.00 C ATOM 0 H MET A 94 3.559 -5.031 -4.417 1.00 0.00 H new ATOM 0 HA MET A 94 4.594 -2.350 -3.782 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.624 -4.433 -2.218 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.359 -4.651 -2.099 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.506 -2.168 -1.495 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.759 -2.183 -1.363 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.533 -1.890 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.817 -1.059 0.665 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.765 -1.842 1.868 1.00 0.00 H new ATOM 1416 N LYS A 95 7.060 -2.810 -4.026 1.00 0.00 N ATOM 1417 CA LYS A 95 8.446 -2.977 -4.452 1.00 0.00 C ATOM 1418 C LYS A 95 9.394 -2.231 -3.521 1.00 0.00 C ATOM 1419 O LYS A 95 9.265 -1.024 -3.326 1.00 0.00 O ATOM 1420 CB LYS A 95 8.625 -2.475 -5.885 1.00 0.00 C ATOM 1421 CG LYS A 95 8.001 -1.112 -6.137 1.00 0.00 C ATOM 1422 CD LYS A 95 6.794 -1.214 -7.054 1.00 0.00 C ATOM 1423 CE LYS A 95 7.180 -1.010 -8.510 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.972 -2.154 -9.039 1.00 0.00 N ATOM 0 H LYS A 95 6.869 -1.930 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 95 8.686 -4.040 -4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.690 -2.425 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.186 -3.199 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.702 -0.666 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.742 -0.448 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.327 -2.191 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.053 -0.469 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.279 -0.884 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.759 -0.092 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.129 -2.025 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.889 -2.197 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.452 -3.040 -8.878 1.00 0.00 H new ATOM 1438 N ARG A 96 10.345 -2.958 -2.949 1.00 0.00 N ATOM 1439 CA ARG A 96 11.313 -2.357 -2.038 1.00 0.00 C ATOM 1440 C ARG A 96 12.459 -1.711 -2.806 1.00 0.00 C ATOM 1441 O ARG A 96 13.585 -2.208 -2.803 1.00 0.00 O ATOM 1442 CB ARG A 96 11.866 -3.392 -1.058 1.00 0.00 C ATOM 1443 CG ARG A 96 11.358 -4.804 -1.292 1.00 0.00 C ATOM 1444 CD ARG A 96 12.425 -5.677 -1.934 1.00 0.00 C ATOM 1445 NE ARG A 96 12.257 -7.087 -1.595 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.684 -7.976 -2.399 1.00 0.00 C ATOM 1447 NH1 ARG A 96 11.224 -7.603 -3.584 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.571 -9.242 -2.018 1.00 0.00 N ATOM 0 H ARG A 96 10.467 -3.960 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 96 10.790 -1.586 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.954 -3.394 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.609 -3.089 -0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.048 -5.243 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.476 -4.774 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.387 -5.558 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.410 -5.342 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 96 12.599 -7.408 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.309 -6.631 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.785 -8.288 -4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.924 -9.534 -1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.131 -9.923 -2.636 1.00 0.00 H new ATOM 1462 N MET A 97 12.163 -0.592 -3.452 1.00 0.00 N ATOM 1463 CA MET A 97 13.167 0.140 -4.217 1.00 0.00 C ATOM 1464 C MET A 97 13.884 1.134 -3.315 1.00 0.00 C ATOM 1465 O MET A 97 13.723 1.096 -2.096 1.00 0.00 O ATOM 1466 CB MET A 97 12.515 0.866 -5.398 1.00 0.00 C ATOM 1467 CG MET A 97 11.631 2.032 -4.989 1.00 0.00 C ATOM 1468 SD MET A 97 11.087 3.020 -6.397 1.00 0.00 S ATOM 1469 CE MET A 97 9.706 2.041 -6.981 1.00 0.00 C ATOM 0 H MET A 97 11.235 -0.169 -3.463 1.00 0.00 H new ATOM 0 HA MET A 97 13.896 -0.569 -4.610 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.297 1.231 -6.064 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.919 0.152 -5.967 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.758 1.652 -4.458 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.176 2.669 -4.292 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.113 2.630 -7.681 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.079 1.148 -7.483 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.084 1.749 -6.135 1.00 0.00 H new ATOM 1479 N ARG A 98 14.680 2.021 -3.904 1.00 0.00 N ATOM 1480 CA ARG A 98 15.414 3.012 -3.125 1.00 0.00 C ATOM 1481 C ARG A 98 14.920 4.423 -3.426 1.00 0.00 C ATOM 1482 O ARG A 98 15.145 4.950 -4.517 1.00 0.00 O ATOM 1483 CB ARG A 98 16.911 2.909 -3.414 1.00 0.00 C ATOM 1484 CG ARG A 98 17.531 1.599 -2.951 1.00 0.00 C ATOM 1485 CD ARG A 98 18.526 1.821 -1.825 1.00 0.00 C ATOM 1486 NE ARG A 98 19.886 2.003 -2.325 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.926 2.302 -1.549 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.763 2.446 -0.240 1.00 0.00 N ATOM 1489 NH2 ARG A 98 22.129 2.460 -2.083 1.00 0.00 N ATOM 0 H ARG A 98 14.833 2.074 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 98 15.239 2.807 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.074 3.020 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.425 3.737 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.745 0.922 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.031 1.116 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.231 2.698 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.500 0.969 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 98 20.049 1.895 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.839 2.328 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.562 2.675 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.259 2.353 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.925 2.689 -1.488 1.00 0.00 H new ATOM 1503 N GLN A 99 14.248 5.028 -2.452 1.00 0.00 N ATOM 1504 CA GLN A 99 13.722 6.381 -2.609 1.00 0.00 C ATOM 1505 C GLN A 99 14.572 7.388 -1.840 1.00 0.00 C ATOM 1506 O GLN A 99 14.590 8.576 -2.165 1.00 0.00 O ATOM 1507 CB GLN A 99 12.270 6.442 -2.125 1.00 0.00 C ATOM 1508 CG GLN A 99 11.549 7.719 -2.527 1.00 0.00 C ATOM 1509 CD GLN A 99 10.406 7.467 -3.490 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.178 7.604 -3.001 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.622 7.152 -4.660 1.00 0.00 N flip ATOM 0 H GLN A 99 14.054 4.603 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 99 13.757 6.640 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.726 5.586 -2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.253 6.351 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.164 8.211 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.261 8.404 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.581 7.058 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.842 6.985 -5.296 1.00 0.00 H new ATOM 1520 N GLU A 100 15.278 6.907 -0.819 1.00 0.00 N ATOM 1521 CA GLU A 100 16.130 7.768 -0.006 1.00 0.00 C ATOM 1522 C GLU A 100 17.494 7.114 0.237 1.00 0.00 C ATOM 1523 O GLU A 100 18.317 7.032 -0.677 1.00 0.00 O ATOM 1524 CB GLU A 100 15.443 8.087 1.327 1.00 0.00 C ATOM 1525 CG GLU A 100 14.607 6.942 1.873 1.00 0.00 C ATOM 1526 CD GLU A 100 13.162 7.337 2.111 1.00 0.00 C ATOM 1527 OE1 GLU A 100 12.892 8.020 3.121 1.00 0.00 O ATOM 1528 OE2 GLU A 100 12.301 6.963 1.288 1.00 0.00 O ATOM 0 H GLU A 100 15.276 5.927 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 100 16.293 8.699 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.202 8.353 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.805 8.961 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.641 6.107 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.043 6.592 2.809 1.00 0.00 H new ATOM 1535 N ARG A 101 17.729 6.652 1.462 1.00 0.00 N ATOM 1536 CA ARG A 101 18.995 6.010 1.807 1.00 0.00 C ATOM 1537 C ARG A 101 18.769 4.565 2.236 1.00 0.00 C ATOM 1538 O ARG A 101 19.716 3.787 2.357 1.00 0.00 O ATOM 1539 CB ARG A 101 19.696 6.783 2.927 1.00 0.00 C ATOM 1540 CG ARG A 101 19.518 8.289 2.836 1.00 0.00 C ATOM 1541 CD ARG A 101 20.851 9.013 2.909 1.00 0.00 C ATOM 1542 NE ARG A 101 20.964 9.832 4.115 1.00 0.00 N ATOM 1543 CZ ARG A 101 21.485 9.394 5.257 1.00 0.00 C ATOM 1544 NH1 ARG A 101 21.936 8.150 5.352 1.00 0.00 N ATOM 1545 NH2 ARG A 101 21.560 10.202 6.305 1.00 0.00 N ATOM 0 H ARG A 101 17.061 6.710 2.231 1.00 0.00 H new ATOM 0 HA ARG A 101 19.630 6.014 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.314 6.439 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.761 6.550 2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.017 8.541 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.873 8.630 3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.661 8.284 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 101 20.969 9.645 2.029 1.00 0.00 H new ATOM 0 HE ARG A 101 20.624 10.793 4.078 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.884 7.526 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.335 7.818 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.218 11.160 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.960 9.865 7.181 1.00 0.00 H new ATOM 1559 N ARG A 102 17.508 4.214 2.464 1.00 0.00 N ATOM 1560 CA ARG A 102 17.148 2.862 2.880 1.00 0.00 C ATOM 1561 C ARG A 102 16.134 2.258 1.917 1.00 0.00 C ATOM 1562 O ARG A 102 15.431 2.982 1.209 1.00 0.00 O ATOM 1563 CB ARG A 102 16.584 2.879 4.310 1.00 0.00 C ATOM 1564 CG ARG A 102 15.075 2.664 4.391 1.00 0.00 C ATOM 1565 CD ARG A 102 14.390 3.690 5.286 1.00 0.00 C ATOM 1566 NE ARG A 102 15.255 4.825 5.604 1.00 0.00 N ATOM 1567 CZ ARG A 102 15.851 4.993 6.781 1.00 0.00 C ATOM 1568 NH1 ARG A 102 15.683 4.103 7.750 1.00 0.00 N ATOM 1569 NH2 ARG A 102 16.620 6.054 6.990 1.00 0.00 N ATOM 0 H ARG A 102 16.715 4.849 2.368 1.00 0.00 H new ATOM 0 HA ARG A 102 18.046 2.244 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.082 2.105 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.829 3.835 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.649 2.717 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.873 1.662 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.488 4.052 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.075 3.207 6.211 1.00 0.00 H new ATOM 0 HE ARG A 102 15.410 5.528 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.094 3.285 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.143 4.237 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.754 6.741 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.077 6.183 7.893 1.00 0.00 H new ATOM 1583 N LEU A 103 16.046 0.931 1.903 1.00 0.00 N ATOM 1584 CA LEU A 103 15.096 0.247 1.036 1.00 0.00 C ATOM 1585 C LEU A 103 13.684 0.715 1.355 1.00 0.00 C ATOM 1586 O LEU A 103 13.119 0.350 2.386 1.00 0.00 O ATOM 1587 CB LEU A 103 15.194 -1.271 1.215 1.00 0.00 C ATOM 1588 CG LEU A 103 16.609 -1.844 1.147 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.797 -2.916 2.209 1.00 0.00 C ATOM 1590 CD2 LEU A 103 16.885 -2.407 -0.237 1.00 0.00 C ATOM 0 H LEU A 103 16.618 0.313 2.479 1.00 0.00 H new ATOM 0 HA LEU A 103 15.334 0.487 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.758 -1.536 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.587 -1.751 0.447 1.00 0.00 H new ATOM 0 HG LEU A 103 17.320 -1.041 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.810 -3.315 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.636 -2.482 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.080 -3.720 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.897 -2.812 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.170 -3.200 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.787 -1.614 -0.979 1.00 0.00 H new ATOM 1602 N CYS A 104 13.121 1.530 0.475 1.00 0.00 N ATOM 1603 CA CYS A 104 11.779 2.053 0.675 1.00 0.00 C ATOM 1604 C CYS A 104 10.750 1.241 -0.103 1.00 0.00 C ATOM 1605 O CYS A 104 10.840 1.109 -1.325 1.00 0.00 O ATOM 1606 CB CYS A 104 11.717 3.525 0.258 1.00 0.00 C ATOM 1607 SG CYS A 104 10.236 3.975 -0.675 1.00 0.00 S ATOM 0 H CYS A 104 13.573 1.843 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 104 11.540 1.974 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.771 4.146 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.595 3.757 -0.344 1.00 0.00 H new ATOM 0 HG CYS A 104 9.178 3.671 0.017 1.00 0.00 H new ATOM 1613 N CYS A 105 9.769 0.708 0.614 1.00 0.00 N ATOM 1614 CA CYS A 105 8.712 -0.081 0.002 1.00 0.00 C ATOM 1615 C CYS A 105 7.644 0.833 -0.589 1.00 0.00 C ATOM 1616 O CYS A 105 7.051 1.647 0.118 1.00 0.00 O ATOM 1617 CB CYS A 105 8.089 -1.023 1.035 1.00 0.00 C ATOM 1618 SG CYS A 105 8.064 -2.759 0.531 1.00 0.00 S ATOM 0 H CYS A 105 9.685 0.810 1.625 1.00 0.00 H new ATOM 0 HA CYS A 105 9.144 -0.678 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.642 -0.935 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.068 -0.700 1.236 1.00 0.00 H new ATOM 0 HG CYS A 105 6.849 -3.215 0.604 1.00 0.00 H new ATOM 1624 N VAL A 106 7.405 0.696 -1.887 1.00 0.00 N ATOM 1625 CA VAL A 106 6.411 1.509 -2.572 1.00 0.00 C ATOM 1626 C VAL A 106 5.227 0.659 -3.019 1.00 0.00 C ATOM 1627 O VAL A 106 5.400 -0.384 -3.649 1.00 0.00 O ATOM 1628 CB VAL A 106 7.017 2.219 -3.800 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.934 2.908 -4.619 1.00 0.00 C ATOM 1630 CG2 VAL A 106 8.081 3.216 -3.367 1.00 0.00 C ATOM 0 H VAL A 106 7.888 0.027 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 106 6.068 2.262 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 106 7.488 1.466 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.387 3.401 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.212 2.168 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.427 3.649 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.498 3.708 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.634 3.963 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.874 2.693 -2.833 1.00 0.00 H new ATOM 1640 N VAL A 107 4.023 1.120 -2.701 1.00 0.00 N ATOM 1641 CA VAL A 107 2.810 0.413 -3.078 1.00 0.00 C ATOM 1642 C VAL A 107 1.958 1.283 -4.000 1.00 0.00 C ATOM 1643 O VAL A 107 1.795 2.480 -3.763 1.00 0.00 O ATOM 1644 CB VAL A 107 1.990 -0.012 -1.829 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.749 0.847 -1.645 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.609 -1.482 -1.916 1.00 0.00 C ATOM 0 H VAL A 107 3.863 1.983 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 107 3.101 -0.493 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 107 2.625 0.139 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.205 0.516 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.043 1.889 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 107 0.108 0.753 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.035 -1.762 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.006 -1.649 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.512 -2.089 -1.969 1.00 0.00 H new ATOM 1656 N VAL A 108 1.427 0.679 -5.055 1.00 0.00 N ATOM 1657 CA VAL A 108 0.602 1.407 -6.007 1.00 0.00 C ATOM 1658 C VAL A 108 -0.690 0.656 -6.290 1.00 0.00 C ATOM 1659 O VAL A 108 -0.693 -0.362 -6.981 1.00 0.00 O ATOM 1660 CB VAL A 108 1.344 1.662 -7.331 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.693 2.804 -8.094 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.817 1.956 -7.076 1.00 0.00 C ATOM 0 H VAL A 108 1.553 -0.310 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 108 0.370 2.370 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 108 1.279 0.760 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.230 2.971 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.344 2.551 -8.313 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.726 3.711 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.322 2.133 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.908 2.841 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.276 1.105 -6.574 1.00 0.00 H new ATOM 1672 N LEU A 109 -1.787 1.166 -5.743 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.091 0.547 -5.921 1.00 0.00 C ATOM 1674 C LEU A 109 -3.797 1.099 -7.153 1.00 0.00 C ATOM 1675 O LEU A 109 -3.586 2.249 -7.541 1.00 0.00 O ATOM 1676 CB LEU A 109 -3.952 0.780 -4.680 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.163 1.040 -3.398 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.037 1.724 -2.364 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -2.599 -0.264 -2.854 1.00 0.00 C ATOM 0 H LEU A 109 -1.797 2.010 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.943 -0.523 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.610 1.629 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.590 -0.090 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.330 1.705 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.458 1.901 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.392 2.676 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.890 1.087 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.039 -0.065 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.417 -0.951 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.937 -0.711 -3.595 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.635 0.270 -7.765 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.372 0.674 -8.952 1.00 0.00 C ATOM 1693 C GLU A 110 -6.790 0.112 -8.925 1.00 0.00 C ATOM 1694 O GLU A 110 -6.983 -1.101 -8.988 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.647 0.193 -10.211 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.830 1.108 -11.409 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.575 1.220 -12.253 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.253 0.248 -12.970 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -2.912 2.277 -12.194 1.00 0.00 O ATOM 0 H GLU A 110 -4.820 -0.685 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.430 1.762 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.583 0.102 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.006 -0.803 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.647 0.734 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.121 2.100 -11.063 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.807 0.988 -8.839 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.208 0.558 -8.814 1.00 0.00 C ATOM 1708 C PRO A 111 -9.565 -0.246 -10.060 1.00 0.00 C ATOM 1709 O PRO A 111 -9.291 0.185 -11.180 1.00 0.00 O ATOM 1710 CB PRO A 111 -9.993 1.876 -8.785 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.028 2.889 -8.271 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.677 2.455 -8.765 1.00 0.00 C ATOM 0 HA PRO A 111 -9.426 -0.092 -7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.353 2.143 -9.779 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.867 1.800 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.276 3.886 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.051 2.933 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.444 2.889 -9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.882 2.756 -8.083 1.00 0.00 H new ATOM 1720 N VAL A 112 -10.172 -1.414 -9.868 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.551 -2.260 -10.996 1.00 0.00 C ATOM 1722 C VAL A 112 -11.658 -1.608 -11.819 1.00 0.00 C ATOM 1723 O VAL A 112 -12.586 -1.013 -11.270 1.00 0.00 O ATOM 1724 CB VAL A 112 -11.018 -3.656 -10.534 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.912 -4.367 -9.766 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -12.279 -3.552 -9.690 1.00 0.00 C ATOM 0 H VAL A 112 -10.410 -1.794 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.660 -2.378 -11.613 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.251 -4.246 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.262 -5.349 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.039 -4.483 -10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.642 -3.778 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.590 -4.548 -9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.079 -2.940 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -13.074 -3.093 -10.278 1.00 0.00 H new