USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 508 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 9 MET CE :methyl -112:sc= -0.287 (180deg=-0.983) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 177:sc= -1.24 USER MOD Single : A 25 TYR OH : rot -79:sc= 1.18 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0281) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00663) USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= -1.48! (180deg=-3.89!) USER MOD Single : A 44 SER OG : rot -116:sc= -1.36 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.441 -10.357 2.771 1.00 0.00 N ATOM 124 CA MET A 9 19.244 -11.233 1.887 1.00 0.00 C ATOM 125 C MET A 9 20.330 -11.984 2.684 1.00 0.00 C ATOM 126 O MET A 9 21.196 -11.358 3.299 1.00 0.00 O ATOM 127 CB MET A 9 19.894 -10.387 0.755 1.00 0.00 C ATOM 128 CG MET A 9 18.963 -10.064 -0.417 1.00 0.00 C ATOM 129 SD MET A 9 18.630 -11.519 -1.427 1.00 0.00 S ATOM 130 CE MET A 9 17.572 -10.838 -2.702 1.00 0.00 C ATOM 0 HA MET A 9 18.580 -11.976 1.445 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.257 -9.452 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.764 -10.922 0.374 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.024 -9.664 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.413 -9.287 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.565 -11.241 -2.593 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.541 -9.753 -2.608 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.965 -11.106 -3.683 1.00 0.00 H new ATOM 140 N TYR A 10 20.251 -13.322 2.682 1.00 0.00 N ATOM 141 CA TYR A 10 21.242 -14.196 3.332 1.00 0.00 C ATOM 142 C TYR A 10 22.409 -14.454 2.363 1.00 0.00 C ATOM 143 O TYR A 10 22.200 -14.957 1.261 1.00 0.00 O ATOM 144 CB TYR A 10 20.580 -15.532 3.765 1.00 0.00 C ATOM 145 CG TYR A 10 19.458 -15.363 4.803 1.00 0.00 C ATOM 146 CD1 TYR A 10 19.754 -15.222 6.165 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.113 -15.338 4.422 1.00 0.00 C ATOM 148 CE1 TYR A 10 18.753 -15.067 7.098 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.111 -15.182 5.359 1.00 0.00 C ATOM 150 CZ TYR A 10 17.437 -15.049 6.692 1.00 0.00 C ATOM 151 OH TYR A 10 16.442 -14.901 7.633 1.00 0.00 O ATOM 0 H TYR A 10 19.494 -13.833 2.227 1.00 0.00 H new ATOM 0 HA TYR A 10 21.627 -13.705 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.174 -16.028 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.346 -16.189 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.784 -15.235 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.854 -15.442 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.999 -14.960 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.077 -15.164 5.049 1.00 0.00 H new ATOM 0 HH TYR A 10 15.568 -14.907 7.189 1.00 0.00 H new ATOM 161 N VAL A 11 23.625 -14.086 2.775 1.00 0.00 N ATOM 162 CA VAL A 11 24.829 -14.190 1.933 1.00 0.00 C ATOM 163 C VAL A 11 25.458 -15.594 2.053 1.00 0.00 C ATOM 164 O VAL A 11 25.745 -16.058 3.157 1.00 0.00 O ATOM 165 CB VAL A 11 25.863 -13.074 2.314 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.160 -13.162 1.471 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.199 -11.676 2.202 1.00 0.00 C ATOM 0 H VAL A 11 23.807 -13.706 3.704 1.00 0.00 H new ATOM 0 HA VAL A 11 24.538 -14.041 0.893 1.00 0.00 H new ATOM 0 HB VAL A 11 26.164 -13.234 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.844 -12.369 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.634 -14.130 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.916 -13.049 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.924 -10.907 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.859 -11.516 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.347 -11.622 2.880 1.00 0.00 H new ATOM 177 N PHE A 12 25.635 -16.257 0.902 1.00 0.00 N ATOM 178 CA PHE A 12 26.225 -17.600 0.801 1.00 0.00 C ATOM 179 C PHE A 12 27.534 -17.548 -0.009 1.00 0.00 C ATOM 180 O PHE A 12 27.543 -17.077 -1.147 1.00 0.00 O ATOM 181 CB PHE A 12 25.213 -18.585 0.142 1.00 0.00 C ATOM 182 CG PHE A 12 23.960 -18.830 0.991 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.955 -19.798 1.996 1.00 0.00 C ATOM 184 CD2 PHE A 12 22.803 -18.081 0.810 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.837 -20.008 2.783 1.00 0.00 C ATOM 186 CE2 PHE A 12 21.686 -18.290 1.604 1.00 0.00 C ATOM 187 CZ PHE A 12 21.704 -19.253 2.587 1.00 0.00 C ATOM 0 H PHE A 12 25.367 -15.868 -0.002 1.00 0.00 H new ATOM 0 HA PHE A 12 26.454 -17.959 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.913 -18.191 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.711 -19.537 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 12 24.840 -20.394 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 12 22.774 -17.325 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 12 22.854 -20.766 3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 12 20.798 -17.695 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.832 -19.415 3.202 1.00 0.00 H new ATOM 197 N LYS A 13 28.640 -18.029 0.593 1.00 0.00 N ATOM 198 CA LYS A 13 29.944 -18.120 -0.083 1.00 0.00 C ATOM 199 C LYS A 13 29.962 -19.413 -0.913 1.00 0.00 C ATOM 200 O LYS A 13 30.231 -20.502 -0.400 1.00 0.00 O ATOM 201 CB LYS A 13 31.099 -18.049 0.957 1.00 0.00 C ATOM 202 CG LYS A 13 32.515 -17.907 0.352 1.00 0.00 C ATOM 203 CD LYS A 13 33.595 -17.628 1.428 1.00 0.00 C ATOM 204 CE LYS A 13 34.999 -17.399 0.837 1.00 0.00 C ATOM 205 NZ LYS A 13 35.532 -18.606 0.151 1.00 0.00 N ATOM 0 H LYS A 13 28.652 -18.363 1.557 1.00 0.00 H new ATOM 0 HA LYS A 13 30.096 -17.277 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.918 -17.204 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.071 -18.949 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.770 -18.820 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.515 -17.097 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.304 -16.751 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.633 -18.468 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.961 -16.570 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.682 -17.107 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.478 -18.400 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.595 -19.392 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.896 -18.872 -0.628 1.00 0.00 H new ATOM 219 N GLY A 14 29.596 -19.271 -2.194 1.00 0.00 N ATOM 220 CA GLY A 14 29.300 -20.407 -3.047 1.00 0.00 C ATOM 221 C GLY A 14 27.934 -20.965 -2.687 1.00 0.00 C ATOM 222 O GLY A 14 26.914 -20.373 -3.046 1.00 0.00 O ATOM 0 H GLY A 14 29.500 -18.367 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.317 -20.104 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.063 -21.176 -2.925 1.00 0.00 H new ATOM 226 N GLU A 15 27.917 -22.063 -1.910 1.00 0.00 N ATOM 227 CA GLU A 15 26.675 -22.694 -1.417 1.00 0.00 C ATOM 228 C GLU A 15 26.648 -22.776 0.127 1.00 0.00 C ATOM 229 O GLU A 15 25.660 -23.258 0.693 1.00 0.00 O ATOM 230 CB GLU A 15 26.502 -24.108 -2.050 1.00 0.00 C ATOM 231 CG GLU A 15 27.678 -25.075 -1.803 1.00 0.00 C ATOM 232 CD GLU A 15 27.406 -26.505 -2.291 1.00 0.00 C ATOM 233 OE1 GLU A 15 27.464 -26.750 -3.517 1.00 0.00 O ATOM 234 OE2 GLU A 15 27.137 -27.395 -1.453 1.00 0.00 O ATOM 0 H GLU A 15 28.765 -22.540 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 15 25.837 -22.067 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.591 -24.558 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.363 -23.995 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.566 -24.691 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.900 -25.099 -0.736 1.00 0.00 H new ATOM 241 N GLU A 16 27.718 -22.313 0.823 1.00 0.00 N ATOM 242 CA GLU A 16 27.780 -22.390 2.309 1.00 0.00 C ATOM 243 C GLU A 16 27.193 -21.123 2.951 1.00 0.00 C ATOM 244 O GLU A 16 27.292 -20.033 2.384 1.00 0.00 O ATOM 245 CB GLU A 16 29.234 -22.602 2.819 1.00 0.00 C ATOM 246 CG GLU A 16 30.170 -21.386 2.671 1.00 0.00 C ATOM 247 CD GLU A 16 31.555 -21.609 3.285 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.413 -22.208 2.626 1.00 0.00 O ATOM 249 OE2 GLU A 16 31.789 -21.197 4.432 1.00 0.00 O ATOM 0 H GLU A 16 28.538 -21.889 0.389 1.00 0.00 H new ATOM 0 HA GLU A 16 27.183 -23.253 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.195 -22.883 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.671 -23.443 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.283 -21.150 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.706 -20.520 3.143 1.00 0.00 H new ATOM 256 N SER A 17 26.593 -21.289 4.141 1.00 0.00 N ATOM 257 CA SER A 17 26.035 -20.187 4.937 1.00 0.00 C ATOM 258 C SER A 17 27.174 -19.283 5.442 1.00 0.00 C ATOM 259 O SER A 17 27.846 -19.611 6.425 1.00 0.00 O ATOM 260 CB SER A 17 25.211 -20.767 6.114 1.00 0.00 C ATOM 261 OG SER A 17 24.567 -19.758 6.881 1.00 0.00 O ATOM 0 H SER A 17 26.481 -22.202 4.581 1.00 0.00 H new ATOM 0 HA SER A 17 25.371 -19.581 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.461 -21.455 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.869 -21.346 6.762 1.00 0.00 H new ATOM 0 HG SER A 17 24.060 -20.174 7.609 1.00 0.00 H new ATOM 267 N PHE A 18 27.418 -18.170 4.729 1.00 0.00 N ATOM 268 CA PHE A 18 28.527 -17.259 5.038 1.00 0.00 C ATOM 269 C PHE A 18 28.099 -16.245 6.106 1.00 0.00 C ATOM 270 O PHE A 18 28.756 -16.108 7.145 1.00 0.00 O ATOM 271 CB PHE A 18 29.017 -16.530 3.758 1.00 0.00 C ATOM 272 CG PHE A 18 30.206 -15.604 4.004 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.434 -16.126 4.417 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.096 -14.219 3.857 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.506 -15.298 4.669 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.172 -13.394 4.114 1.00 0.00 C ATOM 277 CZ PHE A 18 32.376 -13.937 4.521 1.00 0.00 C ATOM 0 H PHE A 18 26.855 -17.881 3.929 1.00 0.00 H new ATOM 0 HA PHE A 18 29.357 -17.848 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.293 -17.273 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.194 -15.949 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.545 -17.193 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.158 -13.789 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.450 -15.718 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.073 -12.325 3.997 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.217 -13.291 4.723 1.00 0.00 H new ATOM 287 N GLY A 19 26.977 -15.558 5.839 1.00 0.00 N ATOM 288 CA GLY A 19 26.485 -14.486 6.698 1.00 0.00 C ATOM 289 C GLY A 19 25.168 -13.910 6.206 1.00 0.00 C ATOM 290 O GLY A 19 24.400 -14.593 5.525 1.00 0.00 O ATOM 0 H GLY A 19 26.392 -15.734 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.357 -14.866 7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.230 -13.692 6.747 1.00 0.00 H new ATOM 294 N GLU A 20 24.920 -12.633 6.528 1.00 0.00 N ATOM 295 CA GLU A 20 23.668 -11.933 6.195 1.00 0.00 C ATOM 296 C GLU A 20 23.973 -10.476 5.804 1.00 0.00 C ATOM 297 O GLU A 20 24.775 -9.804 6.465 1.00 0.00 O ATOM 298 CB GLU A 20 22.700 -12.002 7.417 1.00 0.00 C ATOM 299 CG GLU A 20 23.277 -11.411 8.723 1.00 0.00 C ATOM 300 CD GLU A 20 22.443 -11.743 9.968 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.438 -11.057 10.226 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.791 -12.700 10.691 1.00 0.00 O ATOM 0 H GLU A 20 25.588 -12.050 7.032 1.00 0.00 H new ATOM 0 HA GLU A 20 23.186 -12.414 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.781 -11.471 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.429 -13.043 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.291 -11.785 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.348 -10.328 8.622 1.00 0.00 H new ATOM 309 N SER A 21 23.363 -10.014 4.705 1.00 0.00 N ATOM 310 CA SER A 21 23.449 -8.618 4.265 1.00 0.00 C ATOM 311 C SER A 21 22.726 -7.734 5.299 1.00 0.00 C ATOM 312 O SER A 21 21.499 -7.739 5.372 1.00 0.00 O ATOM 313 CB SER A 21 22.812 -8.464 2.853 1.00 0.00 C ATOM 314 OG SER A 21 22.767 -7.106 2.435 1.00 0.00 O ATOM 0 H SER A 21 22.794 -10.601 4.095 1.00 0.00 H new ATOM 0 HA SER A 21 24.491 -8.307 4.194 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.384 -9.047 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 21 21.802 -8.874 2.864 1.00 0.00 H new ATOM 0 HG SER A 21 22.406 -7.056 1.525 1.00 0.00 H new ATOM 320 N ILE A 22 23.512 -7.007 6.108 1.00 0.00 N ATOM 321 CA ILE A 22 22.997 -6.164 7.207 1.00 0.00 C ATOM 322 C ILE A 22 23.002 -4.684 6.770 1.00 0.00 C ATOM 323 O ILE A 22 22.105 -3.920 7.140 1.00 0.00 O ATOM 324 CB ILE A 22 23.833 -6.413 8.543 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.263 -5.638 9.803 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.339 -6.135 8.335 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.763 -4.203 10.002 1.00 0.00 C ATOM 0 H ILE A 22 24.528 -6.985 6.021 1.00 0.00 H new ATOM 0 HA ILE A 22 21.966 -6.438 7.430 1.00 0.00 H new ATOM 0 HB ILE A 22 23.716 -7.473 8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.176 -5.614 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.507 -6.212 10.697 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.874 -6.316 9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.727 -6.795 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.479 -5.098 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.304 -3.778 10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.847 -4.208 10.119 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.495 -3.601 9.134 1.00 0.00 H new ATOM 339 N ASP A 23 24.003 -4.298 5.955 1.00 0.00 N ATOM 340 CA ASP A 23 24.157 -2.908 5.478 1.00 0.00 C ATOM 341 C ASP A 23 25.011 -2.893 4.194 1.00 0.00 C ATOM 342 O ASP A 23 25.442 -3.951 3.719 1.00 0.00 O ATOM 343 CB ASP A 23 24.782 -2.031 6.612 1.00 0.00 C ATOM 344 CG ASP A 23 24.586 -0.509 6.414 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.531 0.021 6.831 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.473 0.159 5.848 1.00 0.00 O ATOM 0 H ASP A 23 24.722 -4.934 5.611 1.00 0.00 H new ATOM 0 HA ASP A 23 23.184 -2.484 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.342 -2.322 7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.849 -2.244 6.675 1.00 0.00 H new ATOM 351 N VAL A 24 25.212 -1.698 3.613 1.00 0.00 N ATOM 352 CA VAL A 24 26.103 -1.489 2.468 1.00 0.00 C ATOM 353 C VAL A 24 26.570 -0.023 2.451 1.00 0.00 C ATOM 354 O VAL A 24 25.802 0.882 2.798 1.00 0.00 O ATOM 355 CB VAL A 24 25.402 -1.871 1.100 1.00 0.00 C ATOM 356 CG1 VAL A 24 24.105 -1.051 0.864 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.386 -1.743 -0.094 1.00 0.00 C ATOM 0 H VAL A 24 24.754 -0.844 3.931 1.00 0.00 H new ATOM 0 HA VAL A 24 26.966 -2.146 2.576 1.00 0.00 H new ATOM 0 HB VAL A 24 25.106 -2.918 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.657 -1.345 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.401 -1.244 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.346 0.012 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.874 -2.012 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.743 -0.715 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.233 -2.412 0.059 1.00 0.00 H new ATOM 367 N TYR A 25 27.841 0.203 2.081 1.00 0.00 N ATOM 368 CA TYR A 25 28.401 1.556 1.892 1.00 0.00 C ATOM 369 C TYR A 25 29.318 1.530 0.641 1.00 0.00 C ATOM 370 O TYR A 25 30.174 0.642 0.516 1.00 0.00 O ATOM 371 CB TYR A 25 29.152 2.041 3.190 1.00 0.00 C ATOM 372 CG TYR A 25 30.571 1.460 3.404 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.776 0.084 3.549 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.705 2.283 3.405 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.043 -0.437 3.687 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.971 1.756 3.534 1.00 0.00 C ATOM 377 CZ TYR A 25 33.135 0.402 3.676 1.00 0.00 C ATOM 378 OH TYR A 25 34.399 -0.117 3.786 1.00 0.00 O ATOM 0 H TYR A 25 28.511 -0.545 1.904 1.00 0.00 H new ATOM 0 HA TYR A 25 27.604 2.280 1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.226 3.128 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.541 1.787 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.925 -0.582 3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.584 3.351 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 32.180 -1.502 3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.832 2.407 3.523 1.00 0.00 H new ATOM 0 HH TYR A 25 34.587 -0.323 4.725 1.00 0.00 H new ATOM 388 N GLY A 26 29.086 2.473 -0.288 1.00 0.00 N ATOM 389 CA GLY A 26 29.891 2.598 -1.506 1.00 0.00 C ATOM 390 C GLY A 26 29.855 1.356 -2.400 1.00 0.00 C ATOM 391 O GLY A 26 28.843 1.076 -3.045 1.00 0.00 O ATOM 0 H GLY A 26 28.339 3.164 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.537 3.456 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.925 2.804 -1.228 1.00 0.00 H new ATOM 395 N ASP A 27 30.968 0.591 -2.393 1.00 0.00 N ATOM 396 CA ASP A 27 31.159 -0.614 -3.242 1.00 0.00 C ATOM 397 C ASP A 27 31.316 -1.888 -2.395 1.00 0.00 C ATOM 398 O ASP A 27 31.687 -2.938 -2.927 1.00 0.00 O ATOM 399 CB ASP A 27 32.415 -0.435 -4.151 1.00 0.00 C ATOM 400 CG ASP A 27 32.196 0.562 -5.295 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.440 1.773 -5.109 1.00 0.00 O ATOM 402 OD2 ASP A 27 31.790 0.133 -6.397 1.00 0.00 O ATOM 0 H ASP A 27 31.769 0.791 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 27 30.268 -0.725 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.253 -0.099 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.694 -1.402 -4.569 1.00 0.00 H new ATOM 407 N TYR A 28 31.032 -1.810 -1.082 1.00 0.00 N ATOM 408 CA TYR A 28 31.225 -2.944 -0.154 1.00 0.00 C ATOM 409 C TYR A 28 29.923 -3.251 0.595 1.00 0.00 C ATOM 410 O TYR A 28 29.415 -2.414 1.357 1.00 0.00 O ATOM 411 CB TYR A 28 32.368 -2.638 0.849 1.00 0.00 C ATOM 412 CG TYR A 28 33.687 -2.215 0.185 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.482 -3.146 -0.488 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.118 -0.890 0.211 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.658 -2.766 -1.099 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.292 -0.506 -0.401 1.00 0.00 C ATOM 417 CZ TYR A 28 36.057 -1.446 -1.055 1.00 0.00 C ATOM 418 OH TYR A 28 37.233 -1.064 -1.667 1.00 0.00 O ATOM 0 H TYR A 28 30.666 -0.969 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 28 31.504 -3.822 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.043 -1.846 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.548 -3.523 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.171 -4.179 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.520 -0.149 0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.265 -3.499 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.610 0.526 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 28 37.368 -0.101 -1.544 1.00 0.00 H new ATOM 428 N LEU A 29 29.384 -4.451 0.350 1.00 0.00 N ATOM 429 CA LEU A 29 28.204 -4.982 1.038 1.00 0.00 C ATOM 430 C LEU A 29 28.618 -5.506 2.425 1.00 0.00 C ATOM 431 O LEU A 29 29.355 -6.498 2.522 1.00 0.00 O ATOM 432 CB LEU A 29 27.565 -6.125 0.194 1.00 0.00 C ATOM 433 CG LEU A 29 26.225 -6.710 0.743 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.106 -5.646 0.728 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.806 -7.983 -0.035 1.00 0.00 C ATOM 0 H LEU A 29 29.764 -5.092 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 29 27.465 -4.190 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.390 -5.751 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.287 -6.937 0.112 1.00 0.00 H new ATOM 0 HG LEU A 29 26.390 -7.001 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.185 -6.081 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.399 -4.801 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.944 -5.303 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 29 24.870 -8.366 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.671 -7.738 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.582 -8.742 0.064 1.00 0.00 H new ATOM 447 N ILE A 30 28.162 -4.820 3.482 1.00 0.00 N ATOM 448 CA ILE A 30 28.436 -5.211 4.871 1.00 0.00 C ATOM 449 C ILE A 30 27.645 -6.479 5.215 1.00 0.00 C ATOM 450 O ILE A 30 26.405 -6.458 5.296 1.00 0.00 O ATOM 451 CB ILE A 30 28.084 -4.055 5.881 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.865 -2.760 5.515 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.368 -4.469 7.351 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.367 -2.898 5.665 1.00 0.00 C ATOM 0 H ILE A 30 27.593 -3.978 3.398 1.00 0.00 H new ATOM 0 HA ILE A 30 29.504 -5.411 4.963 1.00 0.00 H new ATOM 0 HB ILE A 30 27.015 -3.857 5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.634 -2.484 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.518 -1.944 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.112 -3.645 8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.766 -5.342 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.425 -4.712 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.848 -1.958 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.608 -3.143 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.727 -3.692 5.010 1.00 0.00 H new ATOM 466 N VAL A 31 28.380 -7.585 5.361 1.00 0.00 N ATOM 467 CA VAL A 31 27.827 -8.892 5.697 1.00 0.00 C ATOM 468 C VAL A 31 28.188 -9.238 7.149 1.00 0.00 C ATOM 469 O VAL A 31 29.374 -9.393 7.488 1.00 0.00 O ATOM 470 CB VAL A 31 28.367 -9.991 4.709 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.794 -11.385 5.039 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.086 -9.590 3.235 1.00 0.00 C ATOM 0 H VAL A 31 29.393 -7.593 5.246 1.00 0.00 H new ATOM 0 HA VAL A 31 26.742 -8.861 5.598 1.00 0.00 H new ATOM 0 HB VAL A 31 29.447 -10.055 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.190 -12.117 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.080 -11.665 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.707 -11.359 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.467 -10.364 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.012 -9.480 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.581 -8.644 3.014 1.00 0.00 H new ATOM 482 N LYS A 32 27.157 -9.329 8.007 1.00 0.00 N ATOM 483 CA LYS A 32 27.316 -9.760 9.399 1.00 0.00 C ATOM 484 C LYS A 32 27.538 -11.283 9.429 1.00 0.00 C ATOM 485 O LYS A 32 26.637 -12.059 9.106 1.00 0.00 O ATOM 486 CB LYS A 32 26.077 -9.357 10.248 1.00 0.00 C ATOM 487 CG LYS A 32 26.165 -9.754 11.743 1.00 0.00 C ATOM 488 CD LYS A 32 27.389 -9.121 12.449 1.00 0.00 C ATOM 489 CE LYS A 32 27.537 -9.541 13.916 1.00 0.00 C ATOM 490 NZ LYS A 32 26.358 -9.171 14.730 1.00 0.00 N ATOM 0 H LYS A 32 26.195 -9.106 7.752 1.00 0.00 H new ATOM 0 HA LYS A 32 28.182 -9.264 9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.941 -8.278 10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.190 -9.818 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.253 -9.443 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.222 -10.839 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.294 -9.398 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.306 -8.035 12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.688 -10.619 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.427 -9.073 14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.527 -9.430 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.197 -8.146 14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.520 -9.677 14.378 1.00 0.00 H new ATOM 504 N VAL A 33 28.770 -11.680 9.766 1.00 0.00 N ATOM 505 CA VAL A 33 29.191 -13.084 9.877 1.00 0.00 C ATOM 506 C VAL A 33 29.372 -13.480 11.367 1.00 0.00 C ATOM 507 O VAL A 33 30.463 -13.366 11.940 1.00 0.00 O ATOM 508 CB VAL A 33 30.493 -13.345 9.004 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.171 -13.188 7.501 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.672 -12.406 9.384 1.00 0.00 C ATOM 0 H VAL A 33 29.520 -11.021 9.974 1.00 0.00 H new ATOM 0 HA VAL A 33 28.410 -13.728 9.474 1.00 0.00 H new ATOM 0 HB VAL A 33 30.809 -14.367 9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.072 -13.370 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.402 -13.906 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.811 -12.177 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.533 -12.631 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.374 -11.368 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.937 -12.560 10.430 1.00 0.00 H new ATOM 520 N GLY A 34 28.256 -13.883 12.005 1.00 0.00 N ATOM 521 CA GLY A 34 28.262 -14.354 13.397 1.00 0.00 C ATOM 522 C GLY A 34 28.535 -13.239 14.410 1.00 0.00 C ATOM 523 O GLY A 34 27.601 -12.668 14.986 1.00 0.00 O ATOM 0 H GLY A 34 27.333 -13.890 11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 27.300 -14.813 13.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.019 -15.130 13.508 1.00 0.00 H new ATOM 527 N THR A 35 29.833 -12.929 14.614 1.00 0.00 N ATOM 528 CA THR A 35 30.304 -11.942 15.603 1.00 0.00 C ATOM 529 C THR A 35 30.875 -10.673 14.925 1.00 0.00 C ATOM 530 O THR A 35 30.825 -9.582 15.509 1.00 0.00 O ATOM 531 CB THR A 35 31.393 -12.581 16.535 1.00 0.00 C ATOM 532 OG1 THR A 35 32.445 -13.150 15.734 1.00 0.00 O ATOM 533 CG2 THR A 35 30.800 -13.676 17.446 1.00 0.00 C ATOM 0 H THR A 35 30.591 -13.364 14.089 1.00 0.00 H new ATOM 0 HA THR A 35 29.442 -11.644 16.200 1.00 0.00 H new ATOM 0 HB THR A 35 31.788 -11.788 17.171 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.124 -13.546 16.319 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.587 -14.092 18.075 1.00 0.00 H new ATOM 0 HG22 THR A 35 30.023 -13.244 18.076 1.00 0.00 H new ATOM 0 HG23 THR A 35 30.370 -14.467 16.832 1.00 0.00 H new ATOM 541 N GLU A 36 31.399 -10.813 13.687 1.00 0.00 N ATOM 542 CA GLU A 36 32.105 -9.714 12.974 1.00 0.00 C ATOM 543 C GLU A 36 31.295 -9.219 11.769 1.00 0.00 C ATOM 544 O GLU A 36 30.389 -9.905 11.301 1.00 0.00 O ATOM 545 CB GLU A 36 33.502 -10.199 12.498 1.00 0.00 C ATOM 546 CG GLU A 36 34.436 -10.632 13.638 1.00 0.00 C ATOM 547 CD GLU A 36 35.782 -11.180 13.139 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.713 -10.387 12.895 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.916 -12.419 13.001 1.00 0.00 O ATOM 0 H GLU A 36 31.348 -11.681 13.154 1.00 0.00 H new ATOM 0 HA GLU A 36 32.223 -8.885 13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.370 -11.036 11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.981 -9.398 11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.618 -9.781 14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.939 -11.395 14.237 1.00 0.00 H new ATOM 556 N PHE A 37 31.640 -8.011 11.281 1.00 0.00 N ATOM 557 CA PHE A 37 31.112 -7.457 10.022 1.00 0.00 C ATOM 558 C PHE A 37 32.252 -7.470 8.983 1.00 0.00 C ATOM 559 O PHE A 37 33.218 -6.708 9.116 1.00 0.00 O ATOM 560 CB PHE A 37 30.598 -5.997 10.222 1.00 0.00 C ATOM 561 CG PHE A 37 29.476 -5.814 11.253 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.757 -5.733 12.620 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.142 -5.694 10.856 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.744 -5.542 13.548 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.131 -5.497 11.785 1.00 0.00 C ATOM 566 CZ PHE A 37 27.435 -5.422 13.130 1.00 0.00 C ATOM 0 H PHE A 37 32.297 -7.390 11.753 1.00 0.00 H new ATOM 0 HA PHE A 37 30.270 -8.061 9.683 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.442 -5.373 10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.246 -5.622 9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.779 -5.821 12.959 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.893 -5.756 9.807 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.981 -5.487 14.600 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.107 -5.402 11.457 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.648 -5.269 13.854 1.00 0.00 H new ATOM 576 N LEU A 38 32.146 -8.357 7.976 1.00 0.00 N ATOM 577 CA LEU A 38 33.097 -8.418 6.846 1.00 0.00 C ATOM 578 C LEU A 38 32.421 -7.824 5.605 1.00 0.00 C ATOM 579 O LEU A 38 31.382 -8.320 5.150 1.00 0.00 O ATOM 580 CB LEU A 38 33.572 -9.877 6.575 1.00 0.00 C ATOM 581 CG LEU A 38 34.402 -10.545 7.720 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.852 -11.977 7.330 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.610 -9.667 8.136 1.00 0.00 C ATOM 0 H LEU A 38 31.401 -9.051 7.921 1.00 0.00 H new ATOM 0 HA LEU A 38 33.986 -7.839 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.695 -10.494 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.173 -9.881 5.666 1.00 0.00 H new ATOM 0 HG LEU A 38 33.748 -10.630 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.426 -12.413 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.975 -12.593 7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.472 -11.932 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.163 -10.163 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 36.265 -9.519 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.252 -8.700 8.490 1.00 0.00 H new ATOM 595 N ALA A 39 33.019 -6.745 5.092 1.00 0.00 N ATOM 596 CA ALA A 39 32.500 -5.997 3.948 1.00 0.00 C ATOM 597 C ALA A 39 32.928 -6.657 2.633 1.00 0.00 C ATOM 598 O ALA A 39 34.062 -6.471 2.173 1.00 0.00 O ATOM 599 CB ALA A 39 32.983 -4.548 4.030 1.00 0.00 C ATOM 0 H ALA A 39 33.888 -6.363 5.466 1.00 0.00 H new ATOM 0 HA ALA A 39 31.410 -6.003 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.598 -3.987 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.623 -4.096 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.073 -4.526 4.016 1.00 0.00 H new ATOM 605 N VAL A 40 32.021 -7.467 2.069 1.00 0.00 N ATOM 606 CA VAL A 40 32.241 -8.160 0.793 1.00 0.00 C ATOM 607 C VAL A 40 32.024 -7.182 -0.391 1.00 0.00 C ATOM 608 O VAL A 40 30.901 -6.688 -0.562 1.00 0.00 O ATOM 609 CB VAL A 40 31.282 -9.402 0.642 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.550 -10.171 -0.680 1.00 0.00 C ATOM 611 CG2 VAL A 40 31.387 -10.338 1.873 1.00 0.00 C ATOM 0 H VAL A 40 31.111 -7.660 2.487 1.00 0.00 H new ATOM 0 HA VAL A 40 33.270 -8.520 0.782 1.00 0.00 H new ATOM 0 HB VAL A 40 30.260 -9.027 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 40 30.871 -11.021 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 40 31.388 -9.505 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 40 32.580 -10.528 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 30.715 -11.187 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 40 32.411 -10.698 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.108 -9.789 2.772 1.00 0.00 H new ATOM 621 N PRO A 41 33.091 -6.875 -1.209 1.00 0.00 N ATOM 622 CA PRO A 41 32.961 -6.038 -2.428 1.00 0.00 C ATOM 623 C PRO A 41 31.871 -6.560 -3.402 1.00 0.00 C ATOM 624 O PRO A 41 31.656 -7.775 -3.522 1.00 0.00 O ATOM 625 CB PRO A 41 34.382 -6.080 -3.068 1.00 0.00 C ATOM 626 CG PRO A 41 35.131 -7.166 -2.351 1.00 0.00 C ATOM 627 CD PRO A 41 34.509 -7.279 -0.982 1.00 0.00 C ATOM 0 HA PRO A 41 32.637 -5.025 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.322 -6.288 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.887 -5.120 -2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 41 35.057 -8.110 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.191 -6.923 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.579 -8.294 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.002 -6.626 -0.262 1.00 0.00 H new ATOM 635 N LYS A 42 31.191 -5.618 -4.078 1.00 0.00 N ATOM 636 CA LYS A 42 30.099 -5.912 -5.033 1.00 0.00 C ATOM 637 C LYS A 42 30.619 -6.603 -6.313 1.00 0.00 C ATOM 638 O LYS A 42 29.853 -7.251 -7.027 1.00 0.00 O ATOM 639 CB LYS A 42 29.323 -4.613 -5.389 1.00 0.00 C ATOM 640 CG LYS A 42 28.610 -3.929 -4.196 1.00 0.00 C ATOM 641 CD LYS A 42 27.576 -4.843 -3.482 1.00 0.00 C ATOM 642 CE LYS A 42 26.458 -5.355 -4.415 1.00 0.00 C ATOM 643 NZ LYS A 42 25.710 -4.251 -5.074 1.00 0.00 N ATOM 0 H LYS A 42 31.383 -4.621 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 42 29.417 -6.608 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.019 -3.902 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.580 -4.849 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.359 -3.607 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.104 -3.031 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.096 -5.697 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.125 -4.292 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.894 -5.999 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.763 -5.967 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.950 -4.649 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.297 -3.630 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.359 -3.701 -5.673 1.00 0.00 H new ATOM 657 N LYS A 43 31.922 -6.448 -6.592 1.00 0.00 N ATOM 658 CA LYS A 43 32.594 -7.140 -7.710 1.00 0.00 C ATOM 659 C LYS A 43 32.830 -8.639 -7.395 1.00 0.00 C ATOM 660 O LYS A 43 33.171 -9.423 -8.286 1.00 0.00 O ATOM 661 CB LYS A 43 33.924 -6.387 -8.086 1.00 0.00 C ATOM 662 CG LYS A 43 34.948 -6.121 -6.933 1.00 0.00 C ATOM 663 CD LYS A 43 35.724 -7.365 -6.408 1.00 0.00 C ATOM 664 CE LYS A 43 36.732 -7.960 -7.415 1.00 0.00 C ATOM 665 NZ LYS A 43 36.100 -8.520 -8.643 1.00 0.00 N ATOM 0 H LYS A 43 32.541 -5.842 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 43 31.939 -7.116 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.430 -6.963 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.655 -5.427 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.673 -5.385 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.414 -5.671 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.258 -7.088 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.005 -8.137 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.442 -7.185 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.303 -8.746 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.633 -9.356 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.118 -8.793 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.107 -7.802 -9.395 1.00 0.00 H new ATOM 679 N SER A 44 32.671 -9.011 -6.112 1.00 0.00 N ATOM 680 CA SER A 44 32.853 -10.389 -5.622 1.00 0.00 C ATOM 681 C SER A 44 31.518 -11.164 -5.566 1.00 0.00 C ATOM 682 O SER A 44 31.498 -12.317 -5.119 1.00 0.00 O ATOM 683 CB SER A 44 33.527 -10.349 -4.231 1.00 0.00 C ATOM 684 OG SER A 44 34.814 -9.766 -4.313 1.00 0.00 O ATOM 0 H SER A 44 32.409 -8.354 -5.377 1.00 0.00 H new ATOM 0 HA SER A 44 33.494 -10.923 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 44 32.908 -9.779 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 44 33.605 -11.360 -3.831 1.00 0.00 H new ATOM 0 HG SER A 44 35.490 -10.430 -4.065 1.00 0.00 H new ATOM 690 N ILE A 45 30.410 -10.536 -6.023 1.00 0.00 N ATOM 691 CA ILE A 45 29.086 -11.194 -6.066 1.00 0.00 C ATOM 692 C ILE A 45 28.994 -12.057 -7.343 1.00 0.00 C ATOM 693 O ILE A 45 29.190 -11.544 -8.454 1.00 0.00 O ATOM 694 CB ILE A 45 27.888 -10.158 -6.051 1.00 0.00 C ATOM 695 CG1 ILE A 45 28.086 -9.045 -4.961 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.517 -10.879 -5.891 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.247 -9.512 -3.524 1.00 0.00 C ATOM 0 H ILE A 45 30.408 -9.576 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 45 28.996 -11.808 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 45 27.885 -9.656 -7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 45 28.966 -8.461 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.231 -8.371 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.716 -10.140 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.369 -11.568 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.505 -11.435 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.376 -8.647 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 45 27.359 -10.066 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.122 -10.158 -3.447 1.00 0.00 H new ATOM 709 N LYS A 46 28.731 -13.365 -7.167 1.00 0.00 N ATOM 710 CA LYS A 46 28.486 -14.307 -8.279 1.00 0.00 C ATOM 711 C LYS A 46 27.098 -14.041 -8.903 1.00 0.00 C ATOM 712 O LYS A 46 26.980 -13.879 -10.120 1.00 0.00 O ATOM 713 CB LYS A 46 28.565 -15.778 -7.786 1.00 0.00 C ATOM 714 CG LYS A 46 29.957 -16.261 -7.322 1.00 0.00 C ATOM 715 CD LYS A 46 30.980 -16.341 -8.479 1.00 0.00 C ATOM 716 CE LYS A 46 32.290 -17.034 -8.073 1.00 0.00 C ATOM 717 NZ LYS A 46 33.207 -17.230 -9.222 1.00 0.00 N ATOM 0 H LYS A 46 28.682 -13.802 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 46 29.258 -14.152 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.865 -15.902 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.226 -16.429 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.334 -15.584 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 29.860 -17.244 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.534 -16.880 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.202 -15.334 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.791 -16.439 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.062 -18.001 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.075 -17.701 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.742 -17.820 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.448 -16.307 -9.635 1.00 0.00 H new ATOM 731 N SER A 47 26.062 -13.989 -8.037 1.00 0.00 N ATOM 732 CA SER A 47 24.665 -13.769 -8.454 1.00 0.00 C ATOM 733 C SER A 47 23.790 -13.418 -7.235 1.00 0.00 C ATOM 734 O SER A 47 24.061 -13.861 -6.112 1.00 0.00 O ATOM 735 CB SER A 47 24.094 -15.028 -9.163 1.00 0.00 C ATOM 736 OG SER A 47 22.767 -14.815 -9.632 1.00 0.00 O ATOM 0 H SER A 47 26.174 -14.099 -7.029 1.00 0.00 H new ATOM 0 HA SER A 47 24.651 -12.936 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.737 -15.296 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.104 -15.870 -8.471 1.00 0.00 H new ATOM 0 HG SER A 47 22.442 -15.627 -10.074 1.00 0.00 H new ATOM 742 N VAL A 48 22.751 -12.605 -7.473 1.00 0.00 N ATOM 743 CA VAL A 48 21.704 -12.305 -6.484 1.00 0.00 C ATOM 744 C VAL A 48 20.491 -13.217 -6.756 1.00 0.00 C ATOM 745 O VAL A 48 19.828 -13.075 -7.792 1.00 0.00 O ATOM 746 CB VAL A 48 21.274 -10.785 -6.557 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.112 -10.464 -5.578 1.00 0.00 C ATOM 748 CG2 VAL A 48 22.494 -9.847 -6.319 1.00 0.00 C ATOM 0 H VAL A 48 22.612 -12.132 -8.366 1.00 0.00 H new ATOM 0 HA VAL A 48 22.092 -12.491 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 48 20.901 -10.600 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 48 19.848 -9.410 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.245 -11.076 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.426 -10.681 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 48 22.170 -8.808 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 48 22.917 -10.043 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 48 23.250 -10.033 -7.082 1.00 0.00 H new ATOM 758 N GLU A 49 20.229 -14.169 -5.844 1.00 0.00 N ATOM 759 CA GLU A 49 19.057 -15.071 -5.931 1.00 0.00 C ATOM 760 C GLU A 49 17.856 -14.477 -5.169 1.00 0.00 C ATOM 761 O GLU A 49 17.976 -13.419 -4.548 1.00 0.00 O ATOM 762 CB GLU A 49 19.384 -16.483 -5.377 1.00 0.00 C ATOM 763 CG GLU A 49 20.516 -17.218 -6.112 1.00 0.00 C ATOM 764 CD GLU A 49 20.544 -18.716 -5.778 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.185 -19.112 -4.784 1.00 0.00 O ATOM 766 OE2 GLU A 49 19.888 -19.506 -6.498 1.00 0.00 O ATOM 0 H GLU A 49 20.817 -14.338 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 49 18.799 -15.169 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.653 -16.392 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.483 -17.094 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.393 -17.089 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.473 -16.769 -5.844 1.00 0.00 H new ATOM 773 N ASP A 50 16.727 -15.223 -5.206 1.00 0.00 N ATOM 774 CA ASP A 50 15.411 -14.839 -4.627 1.00 0.00 C ATOM 775 C ASP A 50 15.525 -14.133 -3.255 1.00 0.00 C ATOM 776 O ASP A 50 15.002 -13.031 -3.075 1.00 0.00 O ATOM 777 CB ASP A 50 14.531 -16.111 -4.501 1.00 0.00 C ATOM 778 CG ASP A 50 13.136 -15.837 -3.918 1.00 0.00 C ATOM 779 OD1 ASP A 50 12.264 -15.350 -4.660 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.902 -16.122 -2.719 1.00 0.00 O ATOM 0 H ASP A 50 16.703 -16.139 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 50 14.955 -14.115 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.422 -16.566 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.044 -16.837 -3.870 1.00 0.00 H new ATOM 785 N GLY A 51 16.232 -14.777 -2.311 1.00 0.00 N ATOM 786 CA GLY A 51 16.525 -14.186 -0.996 1.00 0.00 C ATOM 787 C GLY A 51 17.938 -14.516 -0.549 1.00 0.00 C ATOM 788 O GLY A 51 18.206 -14.676 0.650 1.00 0.00 O ATOM 0 H GLY A 51 16.613 -15.715 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.399 -13.104 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.812 -14.557 -0.260 1.00 0.00 H new ATOM 792 N ARG A 52 18.857 -14.614 -1.540 1.00 0.00 N ATOM 793 CA ARG A 52 20.258 -15.028 -1.314 1.00 0.00 C ATOM 794 C ARG A 52 21.211 -14.108 -2.085 1.00 0.00 C ATOM 795 O ARG A 52 20.861 -13.599 -3.152 1.00 0.00 O ATOM 796 CB ARG A 52 20.484 -16.510 -1.769 1.00 0.00 C ATOM 797 CG ARG A 52 19.501 -17.527 -1.153 1.00 0.00 C ATOM 798 CD ARG A 52 19.765 -18.982 -1.580 1.00 0.00 C ATOM 799 NE ARG A 52 18.787 -19.904 -0.958 1.00 0.00 N ATOM 800 CZ ARG A 52 19.014 -21.188 -0.640 1.00 0.00 C ATOM 801 NH1 ARG A 52 20.206 -21.737 -0.819 1.00 0.00 N ATOM 802 NH2 ARG A 52 18.042 -21.912 -0.112 1.00 0.00 N ATOM 0 H ARG A 52 18.645 -14.408 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 52 20.463 -14.954 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.404 -16.559 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.501 -16.805 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.558 -17.461 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.485 -17.254 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.706 -19.062 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 52 20.776 -19.271 -1.293 1.00 0.00 H new ATOM 0 HE ARG A 52 17.860 -19.531 -0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.970 -21.182 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.360 -22.714 -0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.126 -21.494 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.208 -22.888 0.132 1.00 0.00 H new ATOM 816 N ILE A 53 22.411 -13.882 -1.522 1.00 0.00 N ATOM 817 CA ILE A 53 23.518 -13.236 -2.239 1.00 0.00 C ATOM 818 C ILE A 53 24.658 -14.256 -2.343 1.00 0.00 C ATOM 819 O ILE A 53 25.382 -14.492 -1.365 1.00 0.00 O ATOM 820 CB ILE A 53 24.034 -11.934 -1.502 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.885 -10.901 -1.274 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.210 -11.282 -2.273 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.299 -10.291 -2.538 1.00 0.00 C ATOM 0 H ILE A 53 22.637 -14.142 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 53 23.168 -12.923 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 53 24.397 -12.245 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.083 -11.390 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.262 -10.096 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.543 -10.390 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.035 -11.991 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.880 -11.006 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.510 -9.588 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.082 -9.766 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.885 -11.081 -3.165 1.00 0.00 H new ATOM 835 N VAL A 54 24.798 -14.873 -3.521 1.00 0.00 N ATOM 836 CA VAL A 54 25.886 -15.818 -3.794 1.00 0.00 C ATOM 837 C VAL A 54 27.142 -15.012 -4.119 1.00 0.00 C ATOM 838 O VAL A 54 27.156 -14.258 -5.087 1.00 0.00 O ATOM 839 CB VAL A 54 25.536 -16.793 -4.984 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.672 -17.825 -5.222 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.178 -17.495 -4.734 1.00 0.00 C ATOM 0 H VAL A 54 24.164 -14.733 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 54 26.045 -16.442 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 54 25.445 -16.198 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.400 -18.482 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.596 -17.300 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.819 -18.419 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.955 -18.163 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.231 -18.071 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.391 -16.746 -4.650 1.00 0.00 H new ATOM 851 N ILE A 55 28.156 -15.127 -3.256 1.00 0.00 N ATOM 852 CA ILE A 55 29.472 -14.504 -3.451 1.00 0.00 C ATOM 853 C ILE A 55 30.508 -15.596 -3.753 1.00 0.00 C ATOM 854 O ILE A 55 30.286 -16.779 -3.460 1.00 0.00 O ATOM 855 CB ILE A 55 29.927 -13.663 -2.191 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.233 -14.574 -0.954 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.858 -12.601 -1.829 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.814 -13.855 0.257 1.00 0.00 C ATOM 0 H ILE A 55 28.087 -15.662 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 55 29.396 -13.813 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 55 30.854 -13.156 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.311 -15.071 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.930 -15.354 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.189 -12.033 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.717 -11.925 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.915 -13.097 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.989 -14.574 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.756 -13.382 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.112 -13.094 0.600 1.00 0.00 H new ATOM 870 N GLY A 56 31.626 -15.197 -4.363 1.00 0.00 N ATOM 871 CA GLY A 56 32.728 -16.111 -4.632 1.00 0.00 C ATOM 872 C GLY A 56 33.711 -16.125 -3.488 1.00 0.00 C ATOM 873 O GLY A 56 33.659 -17.001 -2.609 1.00 0.00 O ATOM 0 H GLY A 56 31.788 -14.241 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.340 -17.116 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.236 -15.813 -5.549 1.00 0.00 H new ATOM 877 N GLU A 57 34.589 -15.127 -3.494 1.00 0.00 N ATOM 878 CA GLU A 57 35.584 -14.903 -2.442 1.00 0.00 C ATOM 879 C GLU A 57 36.062 -13.452 -2.499 1.00 0.00 C ATOM 880 O GLU A 57 35.664 -12.682 -3.384 1.00 0.00 O ATOM 881 CB GLU A 57 36.783 -15.888 -2.581 1.00 0.00 C ATOM 882 CG GLU A 57 37.591 -15.738 -3.883 1.00 0.00 C ATOM 883 CD GLU A 57 38.733 -16.763 -4.008 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.744 -16.634 -3.282 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.619 -17.700 -4.818 1.00 0.00 O ATOM 0 H GLU A 57 34.633 -14.436 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 57 35.121 -15.091 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.454 -15.744 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.406 -16.909 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.919 -15.846 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 38.007 -14.732 -3.931 1.00 0.00 H new ATOM 892 N PHE A 58 36.909 -13.109 -1.543 1.00 0.00 N ATOM 893 CA PHE A 58 37.471 -11.768 -1.370 1.00 0.00 C ATOM 894 C PHE A 58 38.672 -11.873 -0.428 1.00 0.00 C ATOM 895 O PHE A 58 38.847 -12.901 0.262 1.00 0.00 O ATOM 896 CB PHE A 58 36.402 -10.786 -0.798 1.00 0.00 C ATOM 897 CG PHE A 58 35.804 -11.225 0.543 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.768 -12.157 0.592 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.296 -10.732 1.752 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.254 -12.580 1.795 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.770 -11.154 2.957 1.00 0.00 C ATOM 902 CZ PHE A 58 34.757 -12.075 2.977 1.00 0.00 C ATOM 0 H PHE A 58 37.238 -13.772 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 58 37.788 -11.372 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.856 -9.802 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.597 -10.678 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.364 -12.552 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 58 37.099 -10.010 1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.456 -13.308 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 58 36.158 -10.758 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.350 -12.407 3.921 1.00 0.00 H new ATOM 912 N ASP A 59 39.489 -10.818 -0.390 1.00 0.00 N ATOM 913 CA ASP A 59 40.632 -10.739 0.527 1.00 0.00 C ATOM 914 C ASP A 59 40.124 -10.277 1.902 1.00 0.00 C ATOM 915 O ASP A 59 39.717 -9.117 2.072 1.00 0.00 O ATOM 916 CB ASP A 59 41.724 -9.791 -0.026 1.00 0.00 C ATOM 917 CG ASP A 59 43.030 -9.836 0.791 1.00 0.00 C ATOM 918 OD1 ASP A 59 43.902 -10.681 0.490 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.182 -9.042 1.737 1.00 0.00 O ATOM 0 H ASP A 59 39.380 -9.999 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 59 41.094 -11.721 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.940 -10.058 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.342 -8.770 -0.034 1.00 0.00 H new ATOM 924 N GLU A 60 40.120 -11.216 2.867 1.00 0.00 N ATOM 925 CA GLU A 60 39.544 -11.001 4.212 1.00 0.00 C ATOM 926 C GLU A 60 40.335 -9.976 5.044 1.00 0.00 C ATOM 927 O GLU A 60 39.788 -9.422 5.999 1.00 0.00 O ATOM 928 CB GLU A 60 39.423 -12.345 4.978 1.00 0.00 C ATOM 929 CG GLU A 60 38.485 -13.376 4.307 1.00 0.00 C ATOM 930 CD GLU A 60 38.287 -14.652 5.150 1.00 0.00 C ATOM 931 OE1 GLU A 60 37.437 -14.648 6.067 1.00 0.00 O ATOM 932 OE2 GLU A 60 38.983 -15.660 4.902 1.00 0.00 O ATOM 0 H GLU A 60 40.516 -12.147 2.738 1.00 0.00 H new ATOM 0 HA GLU A 60 38.548 -10.584 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 60 40.416 -12.784 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 60 39.061 -12.144 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 60 37.515 -12.913 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.893 -13.650 3.334 1.00 0.00 H new ATOM 939 N GLU A 61 41.609 -9.733 4.679 1.00 0.00 N ATOM 940 CA GLU A 61 42.449 -8.720 5.342 1.00 0.00 C ATOM 941 C GLU A 61 41.918 -7.306 5.004 1.00 0.00 C ATOM 942 O GLU A 61 41.817 -6.437 5.884 1.00 0.00 O ATOM 943 CB GLU A 61 43.927 -8.861 4.889 1.00 0.00 C ATOM 944 CG GLU A 61 44.516 -10.289 4.954 1.00 0.00 C ATOM 945 CD GLU A 61 44.572 -10.878 6.371 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.411 -10.419 7.186 1.00 0.00 O ATOM 947 OE2 GLU A 61 43.785 -11.793 6.686 1.00 0.00 O ATOM 0 H GLU A 61 42.080 -10.229 3.923 1.00 0.00 H new ATOM 0 HA GLU A 61 42.405 -8.872 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 61 44.009 -8.500 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 61 44.541 -8.206 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.919 -10.946 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 61 45.523 -10.275 4.538 1.00 0.00 H new ATOM 954 N GLU A 62 41.576 -7.100 3.706 1.00 0.00 N ATOM 955 CA GLU A 62 40.969 -5.843 3.229 1.00 0.00 C ATOM 956 C GLU A 62 39.592 -5.650 3.878 1.00 0.00 C ATOM 957 O GLU A 62 39.371 -4.665 4.574 1.00 0.00 O ATOM 958 CB GLU A 62 40.810 -5.825 1.678 1.00 0.00 C ATOM 959 CG GLU A 62 42.128 -5.910 0.891 1.00 0.00 C ATOM 960 CD GLU A 62 41.941 -5.755 -0.635 1.00 0.00 C ATOM 961 OE1 GLU A 62 41.350 -6.652 -1.272 1.00 0.00 O ATOM 962 OE2 GLU A 62 42.386 -4.737 -1.207 1.00 0.00 O ATOM 0 H GLU A 62 41.714 -7.796 2.973 1.00 0.00 H new ATOM 0 HA GLU A 62 41.638 -5.030 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.173 -6.659 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.291 -4.911 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.806 -5.135 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.604 -6.869 1.096 1.00 0.00 H new ATOM 969 N ALA A 63 38.705 -6.652 3.707 1.00 0.00 N ATOM 970 CA ALA A 63 37.305 -6.606 4.207 1.00 0.00 C ATOM 971 C ALA A 63 37.229 -6.385 5.728 1.00 0.00 C ATOM 972 O ALA A 63 36.217 -5.898 6.244 1.00 0.00 O ATOM 973 CB ALA A 63 36.560 -7.886 3.828 1.00 0.00 C ATOM 0 H ALA A 63 38.934 -7.518 3.219 1.00 0.00 H new ATOM 0 HA ALA A 63 36.827 -5.750 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.537 -7.836 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.545 -7.991 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 63 37.065 -8.745 4.269 1.00 0.00 H new ATOM 979 N ARG A 64 38.303 -6.779 6.427 1.00 0.00 N ATOM 980 CA ARG A 64 38.467 -6.560 7.871 1.00 0.00 C ATOM 981 C ARG A 64 38.702 -5.071 8.176 1.00 0.00 C ATOM 982 O ARG A 64 37.993 -4.484 8.994 1.00 0.00 O ATOM 983 CB ARG A 64 39.670 -7.388 8.377 1.00 0.00 C ATOM 984 CG ARG A 64 39.955 -7.309 9.894 1.00 0.00 C ATOM 985 CD ARG A 64 41.194 -8.141 10.273 1.00 0.00 C ATOM 986 NE ARG A 64 41.067 -9.523 9.767 1.00 0.00 N ATOM 987 CZ ARG A 64 42.038 -10.244 9.195 1.00 0.00 C ATOM 988 NH1 ARG A 64 43.276 -9.790 9.133 1.00 0.00 N ATOM 989 NH2 ARG A 64 41.753 -11.430 8.688 1.00 0.00 N ATOM 0 H ARG A 64 39.092 -7.265 6.000 1.00 0.00 H new ATOM 0 HA ARG A 64 37.556 -6.875 8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.504 -8.432 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.562 -7.061 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 64 40.109 -6.270 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.089 -7.669 10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 64 42.090 -7.678 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 64 41.312 -8.154 11.356 1.00 0.00 H new ATOM 0 HE ARG A 64 40.155 -9.969 9.863 1.00 0.00 H new ATOM 0 HH11 ARG A 64 43.504 -8.876 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 64 44.004 -10.353 8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 64 40.799 -11.789 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 64 42.487 -11.987 8.250 1.00 0.00 H new ATOM 1003 N GLU A 65 39.698 -4.465 7.492 1.00 0.00 N ATOM 1004 CA GLU A 65 40.159 -3.093 7.803 1.00 0.00 C ATOM 1005 C GLU A 65 39.184 -2.012 7.277 1.00 0.00 C ATOM 1006 O GLU A 65 38.956 -0.999 7.952 1.00 0.00 O ATOM 1007 CB GLU A 65 41.628 -2.861 7.336 1.00 0.00 C ATOM 1008 CG GLU A 65 41.949 -3.116 5.846 1.00 0.00 C ATOM 1009 CD GLU A 65 41.700 -1.913 4.924 1.00 0.00 C ATOM 1010 OE1 GLU A 65 42.256 -0.827 5.202 1.00 0.00 O ATOM 1011 OE2 GLU A 65 40.946 -2.034 3.938 1.00 0.00 O ATOM 0 H GLU A 65 40.199 -4.905 6.720 1.00 0.00 H new ATOM 0 HA GLU A 65 40.158 -2.991 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.896 -1.830 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.277 -3.500 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 65 42.994 -3.414 5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.348 -3.955 5.497 1.00 0.00 H new ATOM 1018 N LEU A 66 38.604 -2.225 6.088 1.00 0.00 N ATOM 1019 CA LEU A 66 37.568 -1.323 5.548 1.00 0.00 C ATOM 1020 C LEU A 66 36.187 -1.661 6.155 1.00 0.00 C ATOM 1021 O LEU A 66 35.320 -0.786 6.254 1.00 0.00 O ATOM 1022 CB LEU A 66 37.613 -1.295 3.981 1.00 0.00 C ATOM 1023 CG LEU A 66 37.436 -2.649 3.204 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.970 -3.068 3.064 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.136 -2.616 1.822 1.00 0.00 C ATOM 0 H LEU A 66 38.832 -3.012 5.480 1.00 0.00 H new ATOM 0 HA LEU A 66 37.774 -0.297 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 66 36.836 -0.612 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.569 -0.864 3.684 1.00 0.00 H new ATOM 0 HG LEU A 66 37.926 -3.409 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.911 -4.010 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.531 -3.194 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.422 -2.299 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.990 -3.571 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.709 -1.816 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.203 -2.437 1.959 1.00 0.00 H new ATOM 1037 N GLY A 67 36.015 -2.924 6.596 1.00 0.00 N ATOM 1038 CA GLY A 67 34.827 -3.331 7.341 1.00 0.00 C ATOM 1039 C GLY A 67 34.728 -2.628 8.695 1.00 0.00 C ATOM 1040 O GLY A 67 33.667 -2.121 9.052 1.00 0.00 O ATOM 0 H GLY A 67 36.690 -3.673 6.444 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.937 -3.109 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.848 -4.410 7.494 1.00 0.00 H new ATOM 1044 N ARG A 68 35.861 -2.561 9.426 1.00 0.00 N ATOM 1045 CA ARG A 68 35.945 -1.881 10.745 1.00 0.00 C ATOM 1046 C ARG A 68 35.948 -0.352 10.567 1.00 0.00 C ATOM 1047 O ARG A 68 35.647 0.392 11.512 1.00 0.00 O ATOM 1048 CB ARG A 68 37.191 -2.341 11.547 1.00 0.00 C ATOM 1049 CG ARG A 68 38.542 -1.902 10.944 1.00 0.00 C ATOM 1050 CD ARG A 68 39.755 -2.388 11.749 1.00 0.00 C ATOM 1051 NE ARG A 68 39.733 -1.865 13.124 1.00 0.00 N ATOM 1052 CZ ARG A 68 40.746 -1.270 13.753 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.898 -1.036 13.134 1.00 0.00 N ATOM 1054 NH2 ARG A 68 40.582 -0.879 15.004 1.00 0.00 N ATOM 0 H ARG A 68 36.743 -2.974 9.123 1.00 0.00 H new ATOM 0 HA ARG A 68 35.062 -2.163 11.318 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.117 -1.951 12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.178 -3.428 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.617 -2.280 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.568 -0.814 10.883 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.764 -3.478 11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.673 -2.072 11.253 1.00 0.00 H new ATOM 0 HE ARG A 68 38.862 -1.967 13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 68 42.019 -1.313 12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.661 -0.579 13.633 1.00 0.00 H new ATOM 0 HH21 ARG A 68 39.690 -1.034 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 68 41.347 -0.422 15.500 1.00 0.00 H new ATOM 1068 N LYS A 69 36.317 0.107 9.356 1.00 0.00 N ATOM 1069 CA LYS A 69 36.161 1.516 8.952 1.00 0.00 C ATOM 1070 C LYS A 69 34.657 1.859 8.828 1.00 0.00 C ATOM 1071 O LYS A 69 34.257 2.989 9.103 1.00 0.00 O ATOM 1072 CB LYS A 69 36.908 1.777 7.621 1.00 0.00 C ATOM 1073 CG LYS A 69 36.863 3.238 7.112 1.00 0.00 C ATOM 1074 CD LYS A 69 37.637 3.434 5.784 1.00 0.00 C ATOM 1075 CE LYS A 69 37.078 2.578 4.627 1.00 0.00 C ATOM 1076 NZ LYS A 69 37.864 2.757 3.378 1.00 0.00 N ATOM 0 H LYS A 69 36.729 -0.485 8.635 1.00 0.00 H new ATOM 0 HA LYS A 69 36.599 2.162 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.951 1.485 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.485 1.129 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 69 35.824 3.537 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.283 3.896 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.601 4.486 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 69 38.686 3.182 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 69 37.088 1.527 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 69 36.038 2.849 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 37.458 2.166 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 37.834 3.756 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 38.851 2.475 3.545 1.00 0.00 H new ATOM 1090 N TRP A 70 33.832 0.860 8.435 1.00 0.00 N ATOM 1091 CA TRP A 70 32.360 0.997 8.463 1.00 0.00 C ATOM 1092 C TRP A 70 31.858 1.031 9.916 1.00 0.00 C ATOM 1093 O TRP A 70 30.892 1.744 10.220 1.00 0.00 O ATOM 1094 CB TRP A 70 31.649 -0.128 7.674 1.00 0.00 C ATOM 1095 CG TRP A 70 30.129 -0.077 7.772 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.275 0.648 6.988 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.304 -0.755 8.739 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.981 0.441 7.397 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.973 -0.413 8.470 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.568 -1.628 9.801 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.914 -0.901 9.223 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.522 -2.116 10.549 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.200 -1.750 10.258 1.00 0.00 C ATOM 0 H TRP A 70 34.161 -0.044 8.097 1.00 0.00 H new ATOM 0 HA TRP A 70 32.113 1.938 7.972 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.939 -0.064 6.625 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.996 -1.093 8.042 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.573 1.287 6.170 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.154 0.858 6.969 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.583 -1.916 10.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.896 -0.620 8.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.721 -2.789 11.370 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.395 -2.144 10.860 1.00 0.00 H new ATOM 1114 N LEU A 71 32.489 0.243 10.813 1.00 0.00 N ATOM 1115 CA LEU A 71 32.199 0.326 12.263 1.00 0.00 C ATOM 1116 C LEU A 71 32.495 1.762 12.780 1.00 0.00 C ATOM 1117 O LEU A 71 31.848 2.242 13.716 1.00 0.00 O ATOM 1118 CB LEU A 71 32.977 -0.757 13.092 1.00 0.00 C ATOM 1119 CG LEU A 71 32.392 -2.224 13.127 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.960 -2.254 13.682 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.459 -2.929 11.762 1.00 0.00 C ATOM 0 H LEU A 71 33.194 -0.450 10.564 1.00 0.00 H new ATOM 0 HA LEU A 71 31.140 0.112 12.405 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.993 -0.812 12.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.050 -0.402 14.120 1.00 0.00 H new ATOM 0 HG LEU A 71 33.035 -2.783 13.807 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.594 -3.281 13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.955 -1.860 14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.313 -1.643 13.053 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.043 -3.933 11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.885 -2.361 11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.497 -2.994 11.437 1.00 0.00 H new ATOM 1133 N GLU A 72 33.465 2.454 12.143 1.00 0.00 N ATOM 1134 CA GLU A 72 33.768 3.873 12.432 1.00 0.00 C ATOM 1135 C GLU A 72 32.688 4.803 11.812 1.00 0.00 C ATOM 1136 O GLU A 72 32.370 5.857 12.376 1.00 0.00 O ATOM 1137 CB GLU A 72 35.182 4.248 11.898 1.00 0.00 C ATOM 1138 CG GLU A 72 35.741 5.595 12.414 1.00 0.00 C ATOM 1139 CD GLU A 72 36.180 5.548 13.894 1.00 0.00 C ATOM 1140 OE1 GLU A 72 35.311 5.600 14.804 1.00 0.00 O ATOM 1141 OE2 GLU A 72 37.394 5.409 14.159 1.00 0.00 O ATOM 0 H GLU A 72 34.057 2.048 11.418 1.00 0.00 H new ATOM 0 HA GLU A 72 33.758 4.011 13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 72 35.878 3.455 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.146 4.280 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.592 5.887 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.981 6.366 12.292 1.00 0.00 H new