USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 296 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 Single : A 8 LYS NZ :NH3+ 139:sc= -1.21 (180deg=-1.76!) USER MOD Single : A 12 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.83!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.03 USER MOD Single : A 15 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 19 THR OG1 : rot -25:sc= 0.0491 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 91:sc= 0.99 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= -2.25! (180deg=-2.75!) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= -0.337 (180deg=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -0.583 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 8 13.699 8.196 14.162 1.00 0.00 N ATOM 84 CA LYS A 8 13.305 8.900 12.949 1.00 0.00 C ATOM 85 C LYS A 8 14.413 9.829 12.457 1.00 0.00 C ATOM 86 O LYS A 8 14.983 9.614 11.389 1.00 0.00 O ATOM 87 CB LYS A 8 12.020 9.702 13.193 1.00 0.00 C ATOM 88 CG LYS A 8 11.817 10.074 14.669 1.00 0.00 C ATOM 89 CD LYS A 8 10.390 10.577 14.939 1.00 0.00 C ATOM 90 CE LYS A 8 9.319 9.686 14.298 1.00 0.00 C ATOM 91 NZ LYS A 8 9.632 8.239 14.484 1.00 0.00 N ATOM 0 HA LYS A 8 13.122 8.153 12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.047 10.613 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 8 11.164 9.121 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.021 9.205 15.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.534 10.845 14.952 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.223 10.623 16.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.288 11.593 14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.347 9.909 14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.246 9.910 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.759 7.721 14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.043 7.857 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.312 8.128 15.263 1.00 0.00 H new ATOM 105 N ALA A 9 14.704 10.873 13.231 1.00 0.00 N ATOM 106 CA ALA A 9 15.730 11.851 12.864 1.00 0.00 C ATOM 107 C ALA A 9 16.986 11.173 12.313 1.00 0.00 C ATOM 108 O ALA A 9 17.109 10.974 11.105 1.00 0.00 O ATOM 109 CB ALA A 9 16.081 12.711 14.076 1.00 0.00 C ATOM 0 H ALA A 9 14.242 11.065 14.120 1.00 0.00 H new ATOM 0 HA ALA A 9 15.326 12.484 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.845 13.437 13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.190 13.236 14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.459 12.075 14.876 1.00 0.00 H new ATOM 115 N ALA A 10 17.921 10.830 13.197 1.00 0.00 N ATOM 116 CA ALA A 10 19.167 10.191 12.784 1.00 0.00 C ATOM 117 C ALA A 10 18.893 8.858 12.101 1.00 0.00 C ATOM 118 O ALA A 10 19.694 8.391 11.292 1.00 0.00 O ATOM 119 CB ALA A 10 20.068 9.981 13.997 1.00 0.00 C ATOM 0 H ALA A 10 17.839 10.984 14.202 1.00 0.00 H new ATOM 0 HA ALA A 10 19.669 10.844 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.996 9.504 13.683 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.292 10.944 14.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.560 9.344 14.722 1.00 0.00 H new ATOM 125 N PHE A 11 17.759 8.247 12.426 1.00 0.00 N ATOM 126 CA PHE A 11 17.388 6.966 11.835 1.00 0.00 C ATOM 127 C PHE A 11 17.096 7.138 10.349 1.00 0.00 C ATOM 128 O PHE A 11 17.262 6.208 9.562 1.00 0.00 O ATOM 129 CB PHE A 11 16.163 6.394 12.543 1.00 0.00 C ATOM 130 CG PHE A 11 16.166 4.879 12.597 1.00 0.00 C ATOM 131 CD1 PHE A 11 17.040 4.219 13.451 1.00 0.00 C ATOM 132 CD2 PHE A 11 15.297 4.138 11.797 1.00 0.00 C ATOM 133 CE1 PHE A 11 17.047 2.835 13.507 1.00 0.00 C ATOM 134 CE2 PHE A 11 15.308 2.755 11.858 1.00 0.00 C ATOM 135 CZ PHE A 11 16.182 2.104 12.712 1.00 0.00 C ATOM 0 H PHE A 11 17.082 8.617 13.094 1.00 0.00 H new ATOM 0 HA PHE A 11 18.221 6.273 11.954 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.119 6.789 13.558 1.00 0.00 H new ATOM 0 HB3 PHE A 11 15.263 6.732 12.030 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.716 4.786 14.073 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.615 4.643 11.129 1.00 0.00 H new ATOM 0 HE1 PHE A 11 17.729 2.326 14.172 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.634 2.183 11.238 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.189 1.025 12.758 1.00 0.00 H new ATOM 145 N ASN A 12 16.660 8.336 9.971 1.00 0.00 N ATOM 146 CA ASN A 12 16.345 8.634 8.577 1.00 0.00 C ATOM 147 C ASN A 12 17.596 9.090 7.833 1.00 0.00 C ATOM 148 O ASN A 12 17.742 8.843 6.636 1.00 0.00 O ATOM 149 CB ASN A 12 15.275 9.719 8.503 1.00 0.00 C ATOM 150 CG ASN A 12 14.604 9.706 7.136 1.00 0.00 C ATOM 151 OD1 ASN A 12 15.246 9.442 6.120 1.00 0.00 O ATOM 152 ND2 ASN A 12 13.307 9.994 7.111 1.00 0.00 N ATOM 0 H ASN A 12 16.517 9.117 10.611 1.00 0.00 H new ATOM 0 HA ASN A 12 15.968 7.726 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.530 9.559 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.724 10.695 8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.803 10.002 6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.815 10.207 7.979 1.00 0.00 H new ATOM 159 N SER A 13 18.491 9.764 8.549 1.00 0.00 N ATOM 160 CA SER A 13 19.728 10.266 7.960 1.00 0.00 C ATOM 161 C SER A 13 20.812 9.196 7.978 1.00 0.00 C ATOM 162 O SER A 13 21.615 9.097 7.049 1.00 0.00 O ATOM 163 CB SER A 13 20.203 11.495 8.730 1.00 0.00 C ATOM 164 OG SER A 13 19.265 11.853 9.732 1.00 0.00 O ATOM 0 H SER A 13 18.382 9.976 9.541 1.00 0.00 H new ATOM 0 HA SER A 13 19.531 10.538 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 21.171 11.292 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 13 20.344 12.329 8.042 1.00 0.00 H new ATOM 0 HG SER A 13 19.588 12.642 10.216 1.00 0.00 H new ATOM 170 N LEU A 14 20.843 8.402 9.043 1.00 0.00 N ATOM 171 CA LEU A 14 21.842 7.347 9.184 1.00 0.00 C ATOM 172 C LEU A 14 21.474 6.137 8.332 1.00 0.00 C ATOM 173 O LEU A 14 22.342 5.508 7.727 1.00 0.00 O ATOM 174 CB LEU A 14 21.962 6.934 10.650 1.00 0.00 C ATOM 175 CG LEU A 14 23.173 6.000 10.872 1.00 0.00 C ATOM 176 CD1 LEU A 14 24.466 6.811 11.046 1.00 0.00 C ATOM 177 CD2 LEU A 14 22.978 5.080 12.089 1.00 0.00 C ATOM 0 H LEU A 14 20.188 8.468 9.822 1.00 0.00 H new ATOM 0 HA LEU A 14 22.801 7.733 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.066 7.822 11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.048 6.429 10.964 1.00 0.00 H new ATOM 0 HG LEU A 14 23.253 5.375 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.304 6.131 11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.644 7.408 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.369 7.470 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.854 4.441 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.848 5.686 12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.094 4.460 11.938 1.00 0.00 H new ATOM 189 N GLN A 15 20.186 5.813 8.291 1.00 0.00 N ATOM 190 CA GLN A 15 19.709 4.673 7.515 1.00 0.00 C ATOM 191 C GLN A 15 20.025 4.867 6.038 1.00 0.00 C ATOM 192 O GLN A 15 20.352 3.915 5.331 1.00 0.00 O ATOM 193 CB GLN A 15 18.204 4.505 7.710 1.00 0.00 C ATOM 194 CG GLN A 15 17.661 3.332 6.898 1.00 0.00 C ATOM 195 CD GLN A 15 16.176 3.528 6.623 1.00 0.00 C ATOM 196 OE1 GLN A 15 15.703 4.657 6.492 1.00 0.00 O ATOM 197 NE2 GLN A 15 15.439 2.427 6.535 1.00 0.00 N ATOM 0 H GLN A 15 19.454 6.323 8.785 1.00 0.00 H new ATOM 0 HA GLN A 15 20.217 3.774 7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 15 17.989 4.348 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 15 17.693 5.421 7.414 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.205 3.248 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 15 17.818 2.400 7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.874 1.512 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.438 2.497 6.352 1.00 0.00 H new ATOM 206 N ALA A 16 19.922 6.109 5.577 1.00 0.00 N ATOM 207 CA ALA A 16 20.195 6.434 4.181 1.00 0.00 C ATOM 208 C ALA A 16 21.662 6.810 3.982 1.00 0.00 C ATOM 209 O ALA A 16 22.024 7.401 2.965 1.00 0.00 O ATOM 210 CB ALA A 16 19.305 7.590 3.739 1.00 0.00 C ATOM 0 H ALA A 16 19.651 6.908 6.150 1.00 0.00 H new ATOM 0 HA ALA A 16 19.981 5.553 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.512 7.830 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.258 7.305 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 16 19.508 8.463 4.359 1.00 0.00 H new ATOM 237 N THR A 19 24.866 2.043 4.128 1.00 0.00 N ATOM 238 CA THR A 19 25.434 1.228 3.056 1.00 0.00 C ATOM 239 C THR A 19 25.696 2.068 1.807 1.00 0.00 C ATOM 240 O THR A 19 26.092 1.533 0.771 1.00 0.00 O ATOM 241 CB THR A 19 24.486 0.080 2.714 1.00 0.00 C ATOM 242 OG1 THR A 19 23.256 0.599 2.233 1.00 0.00 O ATOM 243 CG2 THR A 19 24.235 -0.815 3.929 1.00 0.00 C ATOM 0 HA THR A 19 26.384 0.824 3.405 1.00 0.00 H new ATOM 0 HB THR A 19 24.954 -0.527 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 19 23.124 1.505 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.557 -1.622 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.180 -1.237 4.272 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.789 -0.225 4.730 1.00 0.00 H new ATOM 251 N GLU A 20 25.481 3.379 1.899 1.00 0.00 N ATOM 252 CA GLU A 20 25.704 4.264 0.765 1.00 0.00 C ATOM 253 C GLU A 20 27.143 4.768 0.739 1.00 0.00 C ATOM 254 O GLU A 20 27.568 5.402 -0.228 1.00 0.00 O ATOM 255 CB GLU A 20 24.737 5.443 0.833 1.00 0.00 C ATOM 256 CG GLU A 20 23.890 5.547 -0.432 1.00 0.00 C ATOM 257 CD GLU A 20 23.196 4.219 -0.717 1.00 0.00 C ATOM 258 OE1 GLU A 20 22.861 3.504 0.251 1.00 0.00 O ATOM 259 OE2 GLU A 20 22.991 3.896 -1.906 1.00 0.00 O ATOM 0 H GLU A 20 25.154 3.847 2.744 1.00 0.00 H new ATOM 0 HA GLU A 20 25.526 3.702 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 20 24.086 5.331 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 20 25.298 6.367 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 20 23.147 6.336 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.520 5.824 -1.277 1.00 0.00 H new ATOM 266 N TYR A 21 27.891 4.488 1.801 1.00 0.00 N ATOM 267 CA TYR A 21 29.283 4.918 1.892 1.00 0.00 C ATOM 268 C TYR A 21 30.238 3.727 1.819 1.00 0.00 C ATOM 269 O TYR A 21 31.441 3.906 1.631 1.00 0.00 O ATOM 270 CB TYR A 21 29.507 5.679 3.195 1.00 0.00 C ATOM 271 CG TYR A 21 29.106 7.134 3.100 1.00 0.00 C ATOM 272 CD1 TYR A 21 29.970 8.057 2.530 1.00 0.00 C ATOM 273 CD2 TYR A 21 27.874 7.553 3.582 1.00 0.00 C ATOM 274 CE1 TYR A 21 29.603 9.389 2.442 1.00 0.00 C ATOM 275 CE2 TYR A 21 27.512 8.886 3.493 1.00 0.00 C ATOM 276 CZ TYR A 21 28.377 9.797 2.924 1.00 0.00 C ATOM 277 OH TYR A 21 28.015 11.122 2.836 1.00 0.00 O ATOM 0 H TYR A 21 27.557 3.965 2.611 1.00 0.00 H new ATOM 0 HA TYR A 21 29.490 5.572 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 21 28.937 5.201 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 21 30.559 5.614 3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 21 30.930 7.736 2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 21 27.197 6.839 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 21 30.276 10.107 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 21 26.553 9.212 3.869 1.00 0.00 H new ATOM 0 HH TYR A 21 27.121 11.243 3.220 1.00 0.00 H new ATOM 287 N ILE A 22 29.710 2.511 1.961 1.00 0.00 N ATOM 288 CA ILE A 22 30.540 1.310 1.901 1.00 0.00 C ATOM 289 C ILE A 22 30.663 0.812 0.463 1.00 0.00 C ATOM 290 O ILE A 22 31.277 -0.221 0.201 1.00 0.00 O ATOM 291 CB ILE A 22 29.938 0.202 2.783 1.00 0.00 C ATOM 292 CG1 ILE A 22 29.782 0.674 4.262 1.00 0.00 C ATOM 293 CG2 ILE A 22 30.780 -1.088 2.676 1.00 0.00 C ATOM 294 CD1 ILE A 22 29.551 -0.493 5.225 1.00 0.00 C ATOM 0 H ILE A 22 28.718 2.333 2.117 1.00 0.00 H new ATOM 0 HA ILE A 22 31.533 1.563 2.271 1.00 0.00 H new ATOM 0 HB ILE A 22 28.936 -0.022 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 22 30.677 1.218 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 22 28.946 1.370 4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 22 30.341 -1.862 3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 22 30.795 -1.428 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 22 31.799 -0.886 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 22 29.449 -0.112 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 22 28.641 -1.023 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 22 30.398 -1.177 5.178 1.00 0.00 H new ATOM 306 N GLY A 23 30.082 1.544 -0.468 1.00 0.00 N ATOM 307 CA GLY A 23 30.143 1.159 -1.870 1.00 0.00 C ATOM 308 C GLY A 23 31.108 2.047 -2.662 1.00 0.00 C ATOM 309 O GLY A 23 31.308 1.833 -3.858 1.00 0.00 O ATOM 0 H GLY A 23 29.565 2.404 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 23 30.459 0.119 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 23 29.147 1.223 -2.308 1.00 0.00 H new ATOM 313 N TYR A 24 31.704 3.043 -2.003 1.00 0.00 N ATOM 314 CA TYR A 24 32.637 3.949 -2.666 1.00 0.00 C ATOM 315 C TYR A 24 33.792 4.306 -1.733 1.00 0.00 C ATOM 316 O TYR A 24 34.955 4.251 -2.132 1.00 0.00 O ATOM 317 CB TYR A 24 31.909 5.207 -3.142 1.00 0.00 C ATOM 318 CG TYR A 24 30.451 4.943 -3.466 1.00 0.00 C ATOM 319 CD1 TYR A 24 30.133 4.132 -4.542 1.00 0.00 C ATOM 320 CD2 TYR A 24 29.436 5.490 -2.689 1.00 0.00 C ATOM 321 CE1 TYR A 24 28.809 3.870 -4.845 1.00 0.00 C ATOM 322 CE2 TYR A 24 28.112 5.225 -2.998 1.00 0.00 C ATOM 323 CZ TYR A 24 27.805 4.417 -4.073 1.00 0.00 C ATOM 324 OH TYR A 24 26.489 4.155 -4.379 1.00 0.00 O ATOM 0 H TYR A 24 31.556 3.240 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 24 33.052 3.445 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 31.974 5.975 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.410 5.601 -4.027 1.00 0.00 H new ATOM 0 HD1 TYR A 24 30.919 3.703 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 24 29.679 6.120 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.562 3.238 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 24 27.321 5.650 -2.398 1.00 0.00 H new ATOM 0 HH TYR A 24 25.907 4.614 -3.738 1.00 0.00 H new ATOM 334 N ALA A 25 33.479 4.638 -0.478 1.00 0.00 N ATOM 335 CA ALA A 25 34.509 4.958 0.501 1.00 0.00 C ATOM 336 C ALA A 25 35.185 3.672 0.975 1.00 0.00 C ATOM 337 O ALA A 25 36.173 3.712 1.708 1.00 0.00 O ATOM 338 CB ALA A 25 33.884 5.680 1.690 1.00 0.00 C ATOM 0 H ALA A 25 32.525 4.691 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 25 35.254 5.607 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 25 34.658 5.917 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 33.412 6.601 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 25 33.134 5.038 2.152 1.00 0.00 H new ATOM 344 N TRP A 26 34.638 2.532 0.550 1.00 0.00 N ATOM 345 CA TRP A 26 35.159 1.233 0.915 1.00 0.00 C ATOM 346 C TRP A 26 36.186 0.772 -0.115 1.00 0.00 C ATOM 347 O TRP A 26 37.333 0.483 0.224 1.00 0.00 O ATOM 348 CB TRP A 26 33.976 0.276 1.020 1.00 0.00 C ATOM 349 CG TRP A 26 34.260 -1.081 0.502 1.00 0.00 C ATOM 350 CD1 TRP A 26 33.701 -1.638 -0.587 1.00 0.00 C ATOM 351 CD2 TRP A 26 35.203 -2.035 1.022 1.00 0.00 C ATOM 352 NE1 TRP A 26 34.202 -2.886 -0.739 1.00 0.00 N ATOM 353 CE2 TRP A 26 35.124 -3.167 0.217 1.00 0.00 C ATOM 354 CE3 TRP A 26 36.089 -2.042 2.095 1.00 0.00 C ATOM 355 CZ2 TRP A 26 35.894 -4.294 0.449 1.00 0.00 C ATOM 356 CZ3 TRP A 26 36.871 -3.164 2.337 1.00 0.00 C ATOM 357 CH2 TRP A 26 36.772 -4.283 1.522 1.00 0.00 C ATOM 0 H TRP A 26 33.820 2.494 -0.058 1.00 0.00 H new ATOM 0 HA TRP A 26 35.676 1.268 1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 26 33.673 0.200 2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 26 33.132 0.695 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 26 32.974 -1.168 -1.232 1.00 0.00 H new ATOM 0 HE1 TRP A 26 33.923 -3.532 -1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 26 36.168 -1.178 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 35.813 -5.161 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 37.562 -3.166 3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 26 37.383 -5.150 1.725 1.00 0.00 H new ATOM 368 N ALA A 27 35.760 0.693 -1.367 1.00 0.00 N ATOM 369 CA ALA A 27 36.634 0.252 -2.438 1.00 0.00 C ATOM 370 C ALA A 27 37.889 1.112 -2.491 1.00 0.00 C ATOM 371 O ALA A 27 39.004 0.598 -2.590 1.00 0.00 O ATOM 372 CB ALA A 27 35.896 0.319 -3.775 1.00 0.00 C ATOM 0 H ALA A 27 34.813 0.929 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 27 36.929 -0.779 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 27 36.559 -0.014 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 27 35.019 -0.327 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 27 35.583 1.345 -3.967 1.00 0.00 H new ATOM 378 N MET A 28 37.703 2.426 -2.427 1.00 0.00 N ATOM 379 CA MET A 28 38.808 3.362 -2.469 1.00 0.00 C ATOM 380 C MET A 28 39.798 3.063 -1.349 1.00 0.00 C ATOM 381 O MET A 28 41.005 3.249 -1.508 1.00 0.00 O ATOM 382 CB MET A 28 38.264 4.780 -2.331 1.00 0.00 C ATOM 383 CG MET A 28 39.103 5.793 -3.098 1.00 0.00 C ATOM 384 SD MET A 28 39.240 5.408 -4.852 1.00 0.00 S ATOM 385 CE MET A 28 38.075 6.590 -5.550 1.00 0.00 C ATOM 0 H MET A 28 36.786 2.865 -2.345 1.00 0.00 H new ATOM 0 HA MET A 28 39.331 3.264 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 28 37.237 4.811 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 28 38.237 5.056 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 28 38.663 6.783 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 28 40.101 5.835 -2.662 1.00 0.00 H new ATOM 0 HE1 MET A 28 38.046 6.476 -6.634 1.00 0.00 H new ATOM 0 HE2 MET A 28 37.082 6.408 -5.140 1.00 0.00 H new ATOM 0 HE3 MET A 28 38.391 7.603 -5.300 1.00 0.00 H new ATOM 395 N VAL A 29 39.279 2.598 -0.217 1.00 0.00 N ATOM 396 CA VAL A 29 40.112 2.270 0.934 1.00 0.00 C ATOM 397 C VAL A 29 41.143 1.207 0.544 1.00 0.00 C ATOM 398 O VAL A 29 42.342 1.378 0.766 1.00 0.00 O ATOM 399 CB VAL A 29 39.208 1.819 2.107 1.00 0.00 C ATOM 400 CG1 VAL A 29 39.487 0.385 2.578 1.00 0.00 C ATOM 401 CG2 VAL A 29 39.349 2.788 3.278 1.00 0.00 C ATOM 0 H VAL A 29 38.282 2.440 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 29 40.668 3.147 1.264 1.00 0.00 H new ATOM 0 HB VAL A 29 38.185 1.829 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 29 38.818 0.136 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 29 39.321 -0.308 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 29 40.521 0.307 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 29 38.709 2.463 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 29 40.386 2.807 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 29 39.052 3.788 2.961 1.00 0.00 H new ATOM 411 N VAL A 30 40.662 0.114 -0.037 1.00 0.00 N ATOM 412 CA VAL A 30 41.522 -0.976 -0.459 1.00 0.00 C ATOM 413 C VAL A 30 42.662 -0.456 -1.326 1.00 0.00 C ATOM 414 O VAL A 30 43.763 -1.007 -1.315 1.00 0.00 O ATOM 415 CB VAL A 30 40.693 -1.991 -1.233 1.00 0.00 C ATOM 416 CG1 VAL A 30 41.560 -3.156 -1.670 1.00 0.00 C ATOM 417 CG2 VAL A 30 39.519 -2.483 -0.390 1.00 0.00 C ATOM 0 H VAL A 30 39.671 -0.038 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 30 41.957 -1.452 0.420 1.00 0.00 H new ATOM 0 HB VAL A 30 40.293 -1.503 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 30 40.954 -3.874 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 30 42.364 -2.792 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 30 41.987 -3.641 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 30 38.939 -3.208 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 30 39.895 -2.954 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 30 38.883 -1.639 -0.124 1.00 0.00 H new ATOM 427 N VAL A 31 42.394 0.608 -2.076 1.00 0.00 N ATOM 428 CA VAL A 31 43.390 1.205 -2.950 1.00 0.00 C ATOM 429 C VAL A 31 44.397 2.024 -2.145 1.00 0.00 C ATOM 430 O VAL A 31 45.493 2.318 -2.623 1.00 0.00 O ATOM 431 CB VAL A 31 42.688 2.084 -3.982 1.00 0.00 C ATOM 432 CG1 VAL A 31 43.695 2.856 -4.819 1.00 0.00 C ATOM 433 CG2 VAL A 31 41.793 1.233 -4.881 1.00 0.00 C ATOM 0 H VAL A 31 41.488 1.075 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 31 43.938 0.413 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 31 42.069 2.805 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 31 43.167 3.474 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 44.296 3.493 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 31 44.346 2.156 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 31 41.298 1.872 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 42.399 0.490 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 41.042 0.728 -4.274 1.00 0.00 H new ATOM 443 N ILE A 32 44.021 2.390 -0.926 1.00 0.00 N ATOM 444 CA ILE A 32 44.894 3.176 -0.058 1.00 0.00 C ATOM 445 C ILE A 32 45.789 2.258 0.770 1.00 0.00 C ATOM 446 O ILE A 32 46.900 2.634 1.144 1.00 0.00 O ATOM 447 CB ILE A 32 44.055 4.063 0.859 1.00 0.00 C ATOM 448 CG1 ILE A 32 43.210 5.030 0.033 1.00 0.00 C ATOM 449 CG2 ILE A 32 44.945 4.835 1.829 1.00 0.00 C ATOM 450 CD1 ILE A 32 42.285 5.856 0.924 1.00 0.00 C ATOM 0 H ILE A 32 43.118 2.156 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 32 45.529 3.808 -0.679 1.00 0.00 H new ATOM 0 HB ILE A 32 43.391 3.423 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 32 43.863 5.695 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 32 42.618 4.471 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 32 44.326 5.460 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 32 45.511 4.133 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 32 45.635 5.464 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.696 6.535 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 32 41.617 5.191 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 32 42.881 6.433 1.631 1.00 0.00 H new ATOM 462 N VAL A 33 45.301 1.055 1.054 1.00 0.00 N ATOM 463 CA VAL A 33 46.046 0.087 1.832 1.00 0.00 C ATOM 464 C VAL A 33 47.056 -0.633 0.940 1.00 0.00 C ATOM 465 O VAL A 33 48.111 -1.064 1.405 1.00 0.00 O ATOM 466 CB VAL A 33 45.056 -0.899 2.455 1.00 0.00 C ATOM 467 CG1 VAL A 33 45.768 -2.122 3.003 1.00 0.00 C ATOM 468 CG2 VAL A 33 44.246 -0.215 3.554 1.00 0.00 C ATOM 0 H VAL A 33 44.383 0.730 0.751 1.00 0.00 H new ATOM 0 HA VAL A 33 46.603 0.585 2.626 1.00 0.00 H new ATOM 0 HB VAL A 33 44.375 -1.232 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.037 -2.803 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 33 46.298 -2.627 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 33 46.480 -1.816 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 43.546 -0.929 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.920 0.149 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.693 0.623 3.130 1.00 0.00 H new ATOM 478 N GLY A 34 46.727 -0.758 -0.341 1.00 0.00 N ATOM 479 CA GLY A 34 47.608 -1.423 -1.295 1.00 0.00 C ATOM 480 C GLY A 34 48.663 -0.457 -1.812 1.00 0.00 C ATOM 481 O GLY A 34 49.856 -0.763 -1.799 1.00 0.00 O ATOM 0 H GLY A 34 45.857 -0.408 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 34 48.091 -2.276 -0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 34 47.023 -1.812 -2.129 1.00 0.00 H new ATOM 485 N ALA A 35 48.222 0.719 -2.256 1.00 0.00 N ATOM 486 CA ALA A 35 49.138 1.738 -2.767 1.00 0.00 C ATOM 487 C ALA A 35 50.290 1.933 -1.789 1.00 0.00 C ATOM 488 O ALA A 35 51.407 2.265 -2.185 1.00 0.00 O ATOM 489 CB ALA A 35 48.395 3.055 -2.968 1.00 0.00 C ATOM 0 H ALA A 35 47.239 0.990 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 35 49.537 1.409 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 35 49.085 3.808 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 35 47.585 2.910 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.983 3.389 -2.016 1.00 0.00 H new ATOM 495 N THR A 36 50.004 1.705 -0.511 1.00 0.00 N ATOM 496 CA THR A 36 51.004 1.831 0.541 1.00 0.00 C ATOM 497 C THR A 36 52.032 0.713 0.401 1.00 0.00 C ATOM 498 O THR A 36 53.237 0.954 0.472 1.00 0.00 O ATOM 499 CB THR A 36 50.313 1.773 1.906 1.00 0.00 C ATOM 500 OG1 THR A 36 49.542 2.948 2.104 1.00 0.00 O ATOM 501 CG2 THR A 36 51.324 1.620 3.039 1.00 0.00 C ATOM 0 H THR A 36 49.080 1.430 -0.178 1.00 0.00 H new ATOM 0 HA THR A 36 51.521 2.787 0.454 1.00 0.00 H new ATOM 0 HB THR A 36 49.662 0.899 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 36 48.631 2.801 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 36 50.798 1.582 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 36 51.890 0.699 2.900 1.00 0.00 H new ATOM 0 HG23 THR A 36 52.007 2.469 3.034 1.00 0.00 H new ATOM 509 N ILE A 37 51.547 -0.506 0.191 1.00 0.00 N ATOM 510 CA ILE A 37 52.428 -1.656 0.027 1.00 0.00 C ATOM 511 C ILE A 37 53.377 -1.410 -1.138 1.00 0.00 C ATOM 512 O ILE A 37 54.546 -1.795 -1.094 1.00 0.00 O ATOM 513 CB ILE A 37 51.603 -2.918 -0.216 1.00 0.00 C ATOM 514 CG1 ILE A 37 50.708 -3.202 0.985 1.00 0.00 C ATOM 515 CG2 ILE A 37 52.508 -4.112 -0.502 1.00 0.00 C ATOM 516 CD1 ILE A 37 49.953 -4.519 0.824 1.00 0.00 C ATOM 0 H ILE A 37 50.552 -0.723 0.131 1.00 0.00 H new ATOM 0 HA ILE A 37 53.012 -1.795 0.937 1.00 0.00 H new ATOM 0 HB ILE A 37 50.974 -2.754 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 37 51.314 -3.237 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 37 49.996 -2.386 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 37 51.897 -4.999 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 37 53.108 -3.909 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 37 53.166 -4.282 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 49.325 -4.688 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 37 49.328 -4.473 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 50.666 -5.337 0.725 1.00 0.00 H new ATOM 528 N GLY A 38 52.867 -0.752 -2.175 1.00 0.00 N ATOM 529 CA GLY A 38 53.667 -0.435 -3.352 1.00 0.00 C ATOM 530 C GLY A 38 54.828 0.474 -2.983 1.00 0.00 C ATOM 531 O GLY A 38 55.828 0.542 -3.699 1.00 0.00 O ATOM 0 H GLY A 38 51.901 -0.428 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 38 54.046 -1.354 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 38 53.043 0.050 -4.102 1.00 0.00 H new ATOM 535 N ILE A 39 54.698 1.165 -1.856 1.00 0.00 N ATOM 536 CA ILE A 39 55.746 2.063 -1.390 1.00 0.00 C ATOM 537 C ILE A 39 56.694 1.303 -0.484 1.00 0.00 C ATOM 538 O ILE A 39 57.913 1.353 -0.651 1.00 0.00 O ATOM 539 CB ILE A 39 55.150 3.253 -0.635 1.00 0.00 C ATOM 540 CG1 ILE A 39 53.802 3.690 -1.209 1.00 0.00 C ATOM 541 CG2 ILE A 39 56.109 4.425 -0.657 1.00 0.00 C ATOM 542 CD1 ILE A 39 53.835 3.867 -2.726 1.00 0.00 C ATOM 0 H ILE A 39 53.879 1.120 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 39 56.288 2.445 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 39 54.986 2.925 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 39 53.045 2.950 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 39 53.502 4.629 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 39 55.671 5.264 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 39 57.047 4.137 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 39 56.300 4.719 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 39 52.851 4.178 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 39 54.571 4.628 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 39 54.107 2.922 -3.197 1.00 0.00 H new ATOM 554 N LYS A 40 56.122 0.590 0.473 1.00 0.00 N ATOM 555 CA LYS A 40 56.905 -0.201 1.415 1.00 0.00 C ATOM 556 C LYS A 40 57.849 -1.126 0.657 1.00 0.00 C ATOM 557 O LYS A 40 59.011 -1.286 1.030 1.00 0.00 O ATOM 558 CB LYS A 40 55.976 -1.015 2.307 1.00 0.00 C ATOM 559 CG LYS A 40 56.264 -0.794 3.789 1.00 0.00 C ATOM 560 CD LYS A 40 55.558 0.443 4.323 1.00 0.00 C ATOM 561 CE LYS A 40 55.969 1.698 3.557 1.00 0.00 C ATOM 562 NZ LYS A 40 57.422 1.986 3.718 1.00 0.00 N ATOM 0 H LYS A 40 55.114 0.541 0.620 1.00 0.00 H new ATOM 0 HA LYS A 40 57.495 0.469 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.942 -0.745 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 40 56.083 -2.074 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 55.944 -1.668 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 40 57.339 -0.692 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 40 54.479 0.308 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 40 55.792 0.568 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 55.737 1.572 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 40 55.387 2.549 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 57.706 2.726 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 57.606 2.312 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 57.970 1.121 3.534 1.00 0.00 H new ATOM 576 N LEU A 41 57.341 -1.728 -0.413 1.00 0.00 N ATOM 577 CA LEU A 41 58.135 -2.634 -1.235 1.00 0.00 C ATOM 578 C LEU A 41 59.315 -1.891 -1.851 1.00 0.00 C ATOM 579 O LEU A 41 60.431 -2.408 -1.896 1.00 0.00 O ATOM 580 CB LEU A 41 57.260 -3.230 -2.334 1.00 0.00 C ATOM 581 CG LEU A 41 56.307 -4.293 -1.775 1.00 0.00 C ATOM 582 CD1 LEU A 41 55.355 -4.780 -2.863 1.00 0.00 C ATOM 583 CD2 LEU A 41 57.076 -5.475 -1.172 1.00 0.00 C ATOM 0 H LEU A 41 56.380 -1.604 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 41 58.520 -3.438 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.684 -2.438 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.892 -3.674 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 41 55.726 -3.831 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.685 -5.534 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.769 -3.940 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.929 -5.214 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.370 -6.209 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 41 57.695 -5.937 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.711 -5.120 -0.360 1.00 0.00 H new ATOM 595 N PHE A 42 59.059 -0.674 -2.325 1.00 0.00 N ATOM 596 CA PHE A 42 60.097 0.147 -2.941 1.00 0.00 C ATOM 597 C PHE A 42 61.228 0.410 -1.957 1.00 0.00 C ATOM 598 O PHE A 42 62.405 0.302 -2.301 1.00 0.00 O ATOM 599 CB PHE A 42 59.501 1.471 -3.408 1.00 0.00 C ATOM 600 CG PHE A 42 60.239 2.055 -4.588 1.00 0.00 C ATOM 601 CD1 PHE A 42 60.096 1.489 -5.844 1.00 0.00 C ATOM 602 CD2 PHE A 42 61.061 3.156 -4.417 1.00 0.00 C ATOM 603 CE1 PHE A 42 60.773 2.023 -6.927 1.00 0.00 C ATOM 604 CE2 PHE A 42 61.740 3.691 -5.499 1.00 0.00 C ATOM 605 CZ PHE A 42 61.596 3.124 -6.754 1.00 0.00 C ATOM 0 H PHE A 42 58.139 -0.234 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 42 60.501 -0.391 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.455 1.320 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.519 2.184 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.455 0.630 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 42 61.173 3.598 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.660 1.582 -7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.381 4.550 -5.364 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.125 3.540 -7.598 1.00 0.00 H new ATOM 615 N LYS A 43 60.861 0.765 -0.733 1.00 0.00 N ATOM 616 CA LYS A 43 61.827 1.062 0.317 1.00 0.00 C ATOM 617 C LYS A 43 62.775 -0.109 0.561 1.00 0.00 C ATOM 618 O LYS A 43 63.964 0.088 0.801 1.00 0.00 O ATOM 619 CB LYS A 43 61.071 1.411 1.583 1.00 0.00 C ATOM 620 CG LYS A 43 60.370 2.753 1.396 1.00 0.00 C ATOM 621 CD LYS A 43 60.978 3.854 2.284 1.00 0.00 C ATOM 622 CE LYS A 43 60.420 5.250 1.969 1.00 0.00 C ATOM 623 NZ LYS A 43 59.758 5.303 0.631 1.00 0.00 N ATOM 0 H LYS A 43 59.888 0.855 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 43 62.443 1.905 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 43 60.341 0.634 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 43 61.757 1.460 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 43 60.437 3.053 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 43 59.311 2.644 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 43 60.785 3.618 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.060 3.863 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 59.703 5.535 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.230 5.979 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 59.426 6.271 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 60.438 5.023 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 58.948 4.651 0.619 1.00 0.00 H new ATOM 637 N LYS A 44 62.241 -1.325 0.512 1.00 0.00 N ATOM 638 CA LYS A 44 63.041 -2.529 0.746 1.00 0.00 C ATOM 639 C LYS A 44 64.317 -2.502 -0.095 1.00 0.00 C ATOM 640 O LYS A 44 65.417 -2.362 0.436 1.00 0.00 O ATOM 641 CB LYS A 44 62.169 -3.778 0.462 1.00 0.00 C ATOM 642 CG LYS A 44 62.874 -4.934 -0.281 1.00 0.00 C ATOM 643 CD LYS A 44 64.196 -5.360 0.390 1.00 0.00 C ATOM 644 CE LYS A 44 64.475 -6.874 0.248 1.00 0.00 C ATOM 645 NZ LYS A 44 63.219 -7.675 0.321 1.00 0.00 N ATOM 0 H LYS A 44 61.257 -1.506 0.312 1.00 0.00 H new ATOM 0 HA LYS A 44 63.361 -2.568 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 44 61.791 -4.158 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 44 61.304 -3.468 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 44 62.203 -5.792 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 44 63.075 -4.630 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 44 65.020 -4.800 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 64.163 -5.098 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 44 64.974 -7.065 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 44 65.157 -7.194 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 63.444 -8.648 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 62.574 -7.247 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 62.762 -7.689 -0.613 1.00 0.00 H new ATOM 659 N PHE A 45 64.163 -2.657 -1.400 1.00 0.00 N ATOM 660 CA PHE A 45 65.297 -2.672 -2.311 1.00 0.00 C ATOM 661 C PHE A 45 66.072 -1.361 -2.261 1.00 0.00 C ATOM 662 O PHE A 45 67.289 -1.347 -2.440 1.00 0.00 O ATOM 663 CB PHE A 45 64.801 -2.916 -3.729 1.00 0.00 C ATOM 664 CG PHE A 45 64.366 -4.353 -3.979 1.00 0.00 C ATOM 665 CD1 PHE A 45 65.316 -5.346 -4.216 1.00 0.00 C ATOM 666 CD2 PHE A 45 63.015 -4.688 -3.977 1.00 0.00 C ATOM 667 CE1 PHE A 45 64.914 -6.651 -4.447 1.00 0.00 C ATOM 668 CE2 PHE A 45 62.621 -5.996 -4.209 1.00 0.00 C ATOM 669 CZ PHE A 45 63.569 -6.975 -4.444 1.00 0.00 C ATOM 0 H PHE A 45 63.258 -2.775 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 45 65.970 -3.473 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 63.962 -2.250 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 45 65.592 -2.656 -4.432 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.367 -5.097 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.272 -3.926 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 45 65.652 -7.418 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 45 61.572 -6.251 -4.206 1.00 0.00 H new ATOM 0 HZ PHE A 45 63.259 -7.994 -4.625 1.00 0.00 H new