USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 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 159:sc= -0.164 (180deg=-0.689) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -0.0101 (180deg=-0.101) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -130:sc= -0.795 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0482 (180deg=-0.247) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00804 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) USER MOD Single : A 44 SER OG : rot -170:sc= 0.457 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc=-0.00498 (180deg=-0.131) 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 19.200 -9.599 2.804 1.00 0.00 N ATOM 124 CA MET A 9 19.154 -10.960 2.243 1.00 0.00 C ATOM 125 C MET A 9 20.309 -11.780 2.847 1.00 0.00 C ATOM 126 O MET A 9 21.376 -11.222 3.116 1.00 0.00 O ATOM 127 CB MET A 9 19.292 -10.891 0.695 1.00 0.00 C ATOM 128 CG MET A 9 18.892 -12.168 -0.056 1.00 0.00 C ATOM 129 SD MET A 9 17.104 -12.424 -0.058 1.00 0.00 S ATOM 130 CE MET A 9 16.527 -11.028 -1.037 1.00 0.00 C ATOM 0 HA MET A 9 18.204 -11.436 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.680 -10.067 0.328 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.327 -10.654 0.449 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.251 -12.111 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.380 -13.027 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.534 -11.246 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.481 -10.138 -0.410 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.216 -10.854 -1.864 1.00 0.00 H new ATOM 140 N TYR A 10 20.105 -13.093 3.041 1.00 0.00 N ATOM 141 CA TYR A 10 21.128 -13.979 3.634 1.00 0.00 C ATOM 142 C TYR A 10 22.290 -14.159 2.637 1.00 0.00 C ATOM 143 O TYR A 10 22.053 -14.468 1.468 1.00 0.00 O ATOM 144 CB TYR A 10 20.526 -15.361 3.994 1.00 0.00 C ATOM 145 CG TYR A 10 19.270 -15.316 4.879 1.00 0.00 C ATOM 146 CD1 TYR A 10 19.362 -15.178 6.267 1.00 0.00 C ATOM 147 CD2 TYR A 10 17.989 -15.422 4.322 1.00 0.00 C ATOM 148 CE1 TYR A 10 18.230 -15.152 7.060 1.00 0.00 C ATOM 149 CE2 TYR A 10 16.861 -15.397 5.115 1.00 0.00 C ATOM 150 CZ TYR A 10 16.985 -15.265 6.481 1.00 0.00 C ATOM 151 OH TYR A 10 15.856 -15.246 7.271 1.00 0.00 O ATOM 0 H TYR A 10 19.237 -13.569 2.795 1.00 0.00 H new ATOM 0 HA TYR A 10 21.496 -13.519 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.282 -15.885 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.289 -15.951 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.335 -15.090 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.883 -15.525 3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.321 -15.043 8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.882 -15.481 4.666 1.00 0.00 H new ATOM 0 HH TYR A 10 15.060 -15.335 6.706 1.00 0.00 H new ATOM 161 N VAL A 11 23.531 -13.939 3.095 1.00 0.00 N ATOM 162 CA VAL A 11 24.733 -14.021 2.244 1.00 0.00 C ATOM 163 C VAL A 11 25.442 -15.368 2.451 1.00 0.00 C ATOM 164 O VAL A 11 25.526 -15.881 3.569 1.00 0.00 O ATOM 165 CB VAL A 11 25.704 -12.823 2.517 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.014 -12.932 1.693 1.00 0.00 C ATOM 167 CG2 VAL A 11 24.982 -11.486 2.234 1.00 0.00 C ATOM 0 H VAL A 11 23.733 -13.699 4.066 1.00 0.00 H new ATOM 0 HA VAL A 11 24.419 -13.955 1.202 1.00 0.00 H new ATOM 0 HB VAL A 11 25.991 -12.858 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.656 -12.079 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.533 -13.854 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.775 -12.939 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.663 -10.657 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.662 -11.459 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.111 -11.398 2.884 1.00 0.00 H new ATOM 177 N PHE A 12 25.908 -15.941 1.337 1.00 0.00 N ATOM 178 CA PHE A 12 26.541 -17.261 1.267 1.00 0.00 C ATOM 179 C PHE A 12 27.864 -17.138 0.495 1.00 0.00 C ATOM 180 O PHE A 12 27.884 -16.599 -0.614 1.00 0.00 O ATOM 181 CB PHE A 12 25.595 -18.288 0.560 1.00 0.00 C ATOM 182 CG PHE A 12 24.329 -18.645 1.348 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.294 -17.728 1.499 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.180 -19.896 1.949 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.163 -18.039 2.225 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.041 -20.206 2.671 1.00 0.00 C ATOM 187 CZ PHE A 12 22.036 -19.278 2.811 1.00 0.00 C ATOM 0 H PHE A 12 25.853 -15.482 0.428 1.00 0.00 H new ATOM 0 HA PHE A 12 26.736 -17.622 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.301 -17.883 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.155 -19.203 0.366 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.377 -16.754 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.964 -20.632 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.375 -17.308 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.941 -21.180 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.150 -19.520 3.379 1.00 0.00 H new ATOM 197 N LYS A 13 28.966 -17.627 1.089 1.00 0.00 N ATOM 198 CA LYS A 13 30.274 -17.694 0.426 1.00 0.00 C ATOM 199 C LYS A 13 30.248 -18.881 -0.545 1.00 0.00 C ATOM 200 O LYS A 13 30.423 -20.037 -0.139 1.00 0.00 O ATOM 201 CB LYS A 13 31.413 -17.824 1.473 1.00 0.00 C ATOM 202 CG LYS A 13 32.840 -17.882 0.880 1.00 0.00 C ATOM 203 CD LYS A 13 33.231 -16.607 0.093 1.00 0.00 C ATOM 204 CE LYS A 13 34.670 -16.666 -0.456 1.00 0.00 C ATOM 205 NZ LYS A 13 35.687 -16.798 0.625 1.00 0.00 N ATOM 0 H LYS A 13 28.972 -17.987 2.043 1.00 0.00 H new ATOM 0 HA LYS A 13 30.471 -16.778 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.354 -16.979 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.244 -18.725 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.555 -18.035 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.916 -18.746 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.536 -16.468 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.130 -15.738 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.760 -17.509 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 34.873 -15.764 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.639 -16.681 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.524 -16.067 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.609 -17.739 1.062 1.00 0.00 H new ATOM 219 N GLY A 14 29.957 -18.580 -1.822 1.00 0.00 N ATOM 220 CA GLY A 14 29.660 -19.603 -2.805 1.00 0.00 C ATOM 221 C GLY A 14 28.326 -20.279 -2.476 1.00 0.00 C ATOM 222 O GLY A 14 27.258 -19.751 -2.817 1.00 0.00 O ATOM 0 H GLY A 14 29.924 -17.628 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.616 -19.160 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.458 -20.345 -2.821 1.00 0.00 H new ATOM 226 N GLU A 15 28.393 -21.422 -1.764 1.00 0.00 N ATOM 227 CA GLU A 15 27.208 -22.192 -1.335 1.00 0.00 C ATOM 228 C GLU A 15 27.099 -22.267 0.209 1.00 0.00 C ATOM 229 O GLU A 15 25.998 -22.480 0.733 1.00 0.00 O ATOM 230 CB GLU A 15 27.244 -23.618 -1.947 1.00 0.00 C ATOM 231 CG GLU A 15 27.353 -23.637 -3.484 1.00 0.00 C ATOM 232 CD GLU A 15 27.136 -25.032 -4.081 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.088 -25.847 -4.092 1.00 0.00 O ATOM 234 OE2 GLU A 15 26.008 -25.328 -4.526 1.00 0.00 O ATOM 0 H GLU A 15 29.276 -21.839 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 15 26.323 -21.670 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.090 -24.162 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.342 -24.153 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.618 -22.950 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.337 -23.271 -3.778 1.00 0.00 H new ATOM 241 N GLU A 16 28.232 -22.102 0.934 1.00 0.00 N ATOM 242 CA GLU A 16 28.242 -22.193 2.422 1.00 0.00 C ATOM 243 C GLU A 16 27.738 -20.870 3.025 1.00 0.00 C ATOM 244 O GLU A 16 27.998 -19.806 2.466 1.00 0.00 O ATOM 245 CB GLU A 16 29.662 -22.536 2.974 1.00 0.00 C ATOM 246 CG GLU A 16 30.749 -21.467 2.718 1.00 0.00 C ATOM 247 CD GLU A 16 32.037 -21.706 3.525 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.109 -21.256 4.689 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.985 -22.340 3.001 1.00 0.00 O ATOM 0 H GLU A 16 29.144 -21.907 0.521 1.00 0.00 H new ATOM 0 HA GLU A 16 27.576 -23.005 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.585 -22.702 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.989 -23.476 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.991 -21.452 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.349 -20.484 2.968 1.00 0.00 H new ATOM 256 N SER A 17 27.018 -20.938 4.160 1.00 0.00 N ATOM 257 CA SER A 17 26.400 -19.748 4.773 1.00 0.00 C ATOM 258 C SER A 17 27.478 -18.837 5.396 1.00 0.00 C ATOM 259 O SER A 17 28.126 -19.205 6.383 1.00 0.00 O ATOM 260 CB SER A 17 25.340 -20.160 5.822 1.00 0.00 C ATOM 261 OG SER A 17 24.593 -19.036 6.271 1.00 0.00 O ATOM 0 H SER A 17 26.850 -21.805 4.671 1.00 0.00 H new ATOM 0 HA SER A 17 25.893 -19.182 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.665 -20.899 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.831 -20.636 6.671 1.00 0.00 H new ATOM 0 HG SER A 17 23.930 -19.327 6.932 1.00 0.00 H new ATOM 267 N PHE A 18 27.679 -17.655 4.785 1.00 0.00 N ATOM 268 CA PHE A 18 28.683 -16.676 5.229 1.00 0.00 C ATOM 269 C PHE A 18 28.100 -15.811 6.364 1.00 0.00 C ATOM 270 O PHE A 18 28.661 -15.750 7.461 1.00 0.00 O ATOM 271 CB PHE A 18 29.126 -15.806 4.022 1.00 0.00 C ATOM 272 CG PHE A 18 30.289 -14.858 4.301 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.536 -15.353 4.680 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.146 -13.478 4.170 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.595 -14.499 4.922 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.208 -12.628 4.407 1.00 0.00 C ATOM 277 CZ PHE A 18 32.431 -13.140 4.780 1.00 0.00 C ATOM 0 H PHE A 18 27.148 -17.353 3.968 1.00 0.00 H new ATOM 0 HA PHE A 18 29.561 -17.192 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.404 -16.466 3.201 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.272 -15.219 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.676 -16.419 4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.191 -13.067 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.552 -14.898 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.080 -11.561 4.300 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.262 -12.474 4.961 1.00 0.00 H new ATOM 287 N GLY A 19 26.950 -15.175 6.077 1.00 0.00 N ATOM 288 CA GLY A 19 26.241 -14.341 7.046 1.00 0.00 C ATOM 289 C GLY A 19 24.908 -13.835 6.493 1.00 0.00 C ATOM 290 O GLY A 19 24.124 -14.604 5.922 1.00 0.00 O ATOM 0 H GLY A 19 26.492 -15.229 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.063 -14.913 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.866 -13.492 7.321 1.00 0.00 H new ATOM 294 N GLU A 20 24.689 -12.526 6.645 1.00 0.00 N ATOM 295 CA GLU A 20 23.490 -11.810 6.191 1.00 0.00 C ATOM 296 C GLU A 20 23.903 -10.376 5.824 1.00 0.00 C ATOM 297 O GLU A 20 24.705 -9.766 6.527 1.00 0.00 O ATOM 298 CB GLU A 20 22.407 -11.805 7.316 1.00 0.00 C ATOM 299 CG GLU A 20 22.883 -11.176 8.646 1.00 0.00 C ATOM 300 CD GLU A 20 21.815 -11.148 9.746 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.002 -10.206 9.772 1.00 0.00 O ATOM 302 OE2 GLU A 20 21.787 -12.067 10.592 1.00 0.00 O ATOM 0 H GLU A 20 25.364 -11.913 7.103 1.00 0.00 H new ATOM 0 HA GLU A 20 23.059 -12.304 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.532 -11.260 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.089 -12.830 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 20 23.748 -11.732 9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.217 -10.156 8.454 1.00 0.00 H new ATOM 309 N SER A 21 23.398 -9.853 4.711 1.00 0.00 N ATOM 310 CA SER A 21 23.632 -8.458 4.321 1.00 0.00 C ATOM 311 C SER A 21 22.783 -7.539 5.221 1.00 0.00 C ATOM 312 O SER A 21 21.612 -7.828 5.479 1.00 0.00 O ATOM 313 CB SER A 21 23.294 -8.251 2.831 1.00 0.00 C ATOM 314 OG SER A 21 23.474 -6.899 2.455 1.00 0.00 O ATOM 0 H SER A 21 22.818 -10.376 4.055 1.00 0.00 H new ATOM 0 HA SER A 21 24.685 -8.209 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.929 -8.891 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.263 -8.551 2.643 1.00 0.00 H new ATOM 0 HG SER A 21 22.675 -6.581 1.984 1.00 0.00 H new ATOM 320 N ILE A 22 23.399 -6.455 5.710 1.00 0.00 N ATOM 321 CA ILE A 22 22.764 -5.500 6.645 1.00 0.00 C ATOM 322 C ILE A 22 22.776 -4.086 6.026 1.00 0.00 C ATOM 323 O ILE A 22 21.811 -3.319 6.173 1.00 0.00 O ATOM 324 CB ILE A 22 23.491 -5.556 8.067 1.00 0.00 C ATOM 325 CG1 ILE A 22 22.798 -4.667 9.181 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.002 -5.242 7.951 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.212 -3.194 9.246 1.00 0.00 C ATOM 0 H ILE A 22 24.359 -6.209 5.470 1.00 0.00 H new ATOM 0 HA ILE A 22 21.723 -5.775 6.812 1.00 0.00 H new ATOM 0 HB ILE A 22 23.382 -6.587 8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.720 -4.710 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.001 -5.120 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.460 -5.290 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.476 -5.972 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.135 -4.242 7.537 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.666 -2.698 10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.283 -3.125 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.982 -2.709 8.297 1.00 0.00 H new ATOM 339 N ASP A 23 23.858 -3.774 5.282 1.00 0.00 N ATOM 340 CA ASP A 23 24.104 -2.426 4.738 1.00 0.00 C ATOM 341 C ASP A 23 24.927 -2.519 3.433 1.00 0.00 C ATOM 342 O ASP A 23 25.448 -3.583 3.094 1.00 0.00 O ATOM 343 CB ASP A 23 24.829 -1.571 5.821 1.00 0.00 C ATOM 344 CG ASP A 23 25.107 -0.111 5.408 1.00 0.00 C ATOM 345 OD1 ASP A 23 24.187 0.729 5.514 1.00 0.00 O ATOM 346 OD2 ASP A 23 26.245 0.205 4.990 1.00 0.00 O ATOM 0 H ASP A 23 24.583 -4.450 5.043 1.00 0.00 H new ATOM 0 HA ASP A 23 23.160 -1.942 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.224 -1.569 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.776 -2.051 6.070 1.00 0.00 H new ATOM 351 N VAL A 24 24.970 -1.407 2.681 1.00 0.00 N ATOM 352 CA VAL A 24 25.866 -1.225 1.525 1.00 0.00 C ATOM 353 C VAL A 24 26.245 0.267 1.431 1.00 0.00 C ATOM 354 O VAL A 24 25.375 1.139 1.547 1.00 0.00 O ATOM 355 CB VAL A 24 25.211 -1.734 0.175 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.875 -1.010 -0.140 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.213 -1.628 -1.007 1.00 0.00 C ATOM 0 H VAL A 24 24.376 -0.598 2.861 1.00 0.00 H new ATOM 0 HA VAL A 24 26.761 -1.828 1.674 1.00 0.00 H new ATOM 0 HB VAL A 24 24.968 -2.788 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.465 -1.393 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.165 -1.188 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.055 0.061 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.737 -1.984 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.515 -0.589 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.092 -2.237 -0.795 1.00 0.00 H new ATOM 367 N TYR A 25 27.547 0.558 1.261 1.00 0.00 N ATOM 368 CA TYR A 25 28.048 1.940 1.104 1.00 0.00 C ATOM 369 C TYR A 25 29.172 1.947 0.052 1.00 0.00 C ATOM 370 O TYR A 25 30.009 1.031 0.036 1.00 0.00 O ATOM 371 CB TYR A 25 28.527 2.520 2.481 1.00 0.00 C ATOM 372 CG TYR A 25 29.965 2.147 2.926 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.362 0.814 3.098 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.927 3.137 3.160 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.657 0.495 3.484 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.209 2.816 3.550 1.00 0.00 C ATOM 377 CZ TYR A 25 32.570 1.503 3.715 1.00 0.00 C ATOM 378 OH TYR A 25 33.847 1.206 4.135 1.00 0.00 O ATOM 0 H TYR A 25 28.279 -0.151 1.228 1.00 0.00 H new ATOM 0 HA TYR A 25 27.243 2.588 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.454 3.607 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.833 2.185 3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.648 0.021 2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.658 4.175 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.948 -0.538 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 25 32.931 3.600 3.726 1.00 0.00 H new ATOM 0 HH TYR A 25 34.356 2.036 4.247 1.00 0.00 H new ATOM 388 N GLY A 26 29.183 2.968 -0.818 1.00 0.00 N ATOM 389 CA GLY A 26 30.197 3.084 -1.866 1.00 0.00 C ATOM 390 C GLY A 26 30.149 1.923 -2.858 1.00 0.00 C ATOM 391 O GLY A 26 29.243 1.844 -3.690 1.00 0.00 O ATOM 0 H GLY A 26 28.498 3.724 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.055 4.022 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.185 3.126 -1.408 1.00 0.00 H new ATOM 395 N ASP A 27 31.131 1.006 -2.739 1.00 0.00 N ATOM 396 CA ASP A 27 31.228 -0.210 -3.582 1.00 0.00 C ATOM 397 C ASP A 27 31.178 -1.499 -2.731 1.00 0.00 C ATOM 398 O ASP A 27 31.321 -2.599 -3.264 1.00 0.00 O ATOM 399 CB ASP A 27 32.540 -0.176 -4.416 1.00 0.00 C ATOM 400 CG ASP A 27 32.615 1.023 -5.385 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.972 0.977 -6.456 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.303 2.024 -5.068 1.00 0.00 O ATOM 0 H ASP A 27 31.883 1.086 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 27 30.369 -0.219 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.393 -0.141 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.624 -1.101 -4.986 1.00 0.00 H new ATOM 407 N TYR A 28 30.950 -1.364 -1.410 1.00 0.00 N ATOM 408 CA TYR A 28 31.104 -2.477 -0.442 1.00 0.00 C ATOM 409 C TYR A 28 29.763 -2.849 0.207 1.00 0.00 C ATOM 410 O TYR A 28 29.132 -2.017 0.872 1.00 0.00 O ATOM 411 CB TYR A 28 32.128 -2.081 0.656 1.00 0.00 C ATOM 412 CG TYR A 28 33.485 -1.640 0.101 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.439 -2.579 -0.305 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.798 -0.285 -0.052 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.656 -2.181 -0.830 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.012 0.113 -0.583 1.00 0.00 C ATOM 417 CZ TYR A 28 35.938 -0.837 -0.968 1.00 0.00 C ATOM 418 OH TYR A 28 37.147 -0.443 -1.504 1.00 0.00 O ATOM 0 H TYR A 28 30.655 -0.486 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 28 31.467 -3.349 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.710 -1.272 1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.277 -2.929 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.222 -3.632 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.080 0.463 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.383 -2.920 -1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.235 1.164 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 28 37.188 0.536 -1.534 1.00 0.00 H new ATOM 428 N LEU A 29 29.342 -4.108 -0.003 1.00 0.00 N ATOM 429 CA LEU A 29 28.190 -4.711 0.681 1.00 0.00 C ATOM 430 C LEU A 29 28.620 -5.151 2.085 1.00 0.00 C ATOM 431 O LEU A 29 29.404 -6.099 2.229 1.00 0.00 O ATOM 432 CB LEU A 29 27.659 -5.941 -0.113 1.00 0.00 C ATOM 433 CG LEU A 29 26.304 -6.536 0.379 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.157 -5.524 0.180 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.986 -7.882 -0.313 1.00 0.00 C ATOM 0 H LEU A 29 29.798 -4.741 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 29 27.390 -3.974 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.549 -5.654 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.414 -6.727 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 29 26.400 -6.736 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.222 -5.961 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.369 -4.618 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.069 -5.278 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.034 -8.265 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.923 -7.731 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.776 -8.600 -0.093 1.00 0.00 H new ATOM 447 N ILE A 30 28.134 -4.439 3.102 1.00 0.00 N ATOM 448 CA ILE A 30 28.391 -4.778 4.505 1.00 0.00 C ATOM 449 C ILE A 30 27.568 -6.017 4.890 1.00 0.00 C ATOM 450 O ILE A 30 26.338 -5.945 5.052 1.00 0.00 O ATOM 451 CB ILE A 30 28.048 -3.580 5.460 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.797 -2.287 5.016 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.366 -3.930 6.936 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.304 -2.407 5.048 1.00 0.00 C ATOM 0 H ILE A 30 27.551 -3.611 2.978 1.00 0.00 H new ATOM 0 HA ILE A 30 29.454 -4.993 4.617 1.00 0.00 H new ATOM 0 HB ILE A 30 26.977 -3.391 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.485 -2.028 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.495 -1.464 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.118 -3.081 7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.777 -4.796 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.427 -4.160 7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.751 -1.467 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.629 -2.634 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.620 -3.207 4.378 1.00 0.00 H new ATOM 466 N VAL A 31 28.261 -7.156 4.982 1.00 0.00 N ATOM 467 CA VAL A 31 27.679 -8.433 5.371 1.00 0.00 C ATOM 468 C VAL A 31 27.973 -8.707 6.853 1.00 0.00 C ATOM 469 O VAL A 31 29.127 -8.913 7.244 1.00 0.00 O ATOM 470 CB VAL A 31 28.241 -9.598 4.485 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.653 -10.963 4.919 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.998 -9.307 2.978 1.00 0.00 C ATOM 0 H VAL A 31 29.260 -7.212 4.783 1.00 0.00 H new ATOM 0 HA VAL A 31 26.601 -8.382 5.220 1.00 0.00 H new ATOM 0 HB VAL A 31 29.319 -9.657 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.061 -11.752 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.916 -11.158 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.568 -10.941 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.395 -10.127 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.928 -9.209 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.500 -8.380 2.701 1.00 0.00 H new ATOM 482 N LYS A 32 26.916 -8.695 7.662 1.00 0.00 N ATOM 483 CA LYS A 32 26.967 -9.090 9.066 1.00 0.00 C ATOM 484 C LYS A 32 27.037 -10.628 9.158 1.00 0.00 C ATOM 485 O LYS A 32 26.066 -11.323 8.866 1.00 0.00 O ATOM 486 CB LYS A 32 25.708 -8.540 9.799 1.00 0.00 C ATOM 487 CG LYS A 32 25.482 -9.082 11.231 1.00 0.00 C ATOM 488 CD LYS A 32 26.639 -8.761 12.206 1.00 0.00 C ATOM 489 CE LYS A 32 26.356 -9.265 13.631 1.00 0.00 C ATOM 490 NZ LYS A 32 25.102 -8.682 14.187 1.00 0.00 N ATOM 0 H LYS A 32 25.987 -8.406 7.355 1.00 0.00 H new ATOM 0 HA LYS A 32 27.854 -8.675 9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.783 -7.454 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 24.829 -8.772 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.557 -8.662 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.347 -10.163 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.559 -9.216 11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.803 -7.684 12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.279 -10.352 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.194 -9.010 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.066 -8.850 15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.083 -7.659 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.280 -9.130 13.734 1.00 0.00 H new ATOM 504 N VAL A 33 28.210 -11.141 9.520 1.00 0.00 N ATOM 505 CA VAL A 33 28.383 -12.545 9.919 1.00 0.00 C ATOM 506 C VAL A 33 28.211 -12.619 11.447 1.00 0.00 C ATOM 507 O VAL A 33 28.400 -11.608 12.134 1.00 0.00 O ATOM 508 CB VAL A 33 29.772 -13.139 9.445 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.027 -12.820 7.947 1.00 0.00 C ATOM 510 CG2 VAL A 33 30.946 -12.658 10.327 1.00 0.00 C ATOM 0 H VAL A 33 29.073 -10.598 9.547 1.00 0.00 H new ATOM 0 HA VAL A 33 27.630 -13.163 9.429 1.00 0.00 H new ATOM 0 HB VAL A 33 29.715 -14.221 9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.987 -13.238 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.233 -13.258 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 33 30.040 -11.740 7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 33 31.877 -13.092 9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.012 -11.571 10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 33 30.779 -12.971 11.358 1.00 0.00 H new ATOM 520 N GLY A 34 27.839 -13.797 11.961 1.00 0.00 N ATOM 521 CA GLY A 34 27.484 -13.998 13.385 1.00 0.00 C ATOM 522 C GLY A 34 28.424 -13.350 14.420 1.00 0.00 C ATOM 523 O GLY A 34 27.994 -13.004 15.528 1.00 0.00 O ATOM 0 H GLY A 34 27.773 -14.648 11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 34 26.478 -13.609 13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 27.446 -15.070 13.580 1.00 0.00 H new ATOM 527 N THR A 35 29.707 -13.194 14.050 1.00 0.00 N ATOM 528 CA THR A 35 30.730 -12.569 14.901 1.00 0.00 C ATOM 529 C THR A 35 30.930 -11.065 14.575 1.00 0.00 C ATOM 530 O THR A 35 30.944 -10.221 15.482 1.00 0.00 O ATOM 531 CB THR A 35 32.084 -13.324 14.726 1.00 0.00 C ATOM 532 OG1 THR A 35 32.404 -13.409 13.324 1.00 0.00 O ATOM 533 CG2 THR A 35 32.044 -14.741 15.326 1.00 0.00 C ATOM 0 H THR A 35 30.064 -13.501 13.145 1.00 0.00 H new ATOM 0 HA THR A 35 30.385 -12.638 15.933 1.00 0.00 H new ATOM 0 HB THR A 35 32.848 -12.760 15.262 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.255 -13.881 13.211 1.00 0.00 H new ATOM 0 HG21 THR A 35 33.009 -15.226 15.179 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.828 -14.679 16.393 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.267 -15.324 14.832 1.00 0.00 H new ATOM 541 N GLU A 36 31.065 -10.732 13.268 1.00 0.00 N ATOM 542 CA GLU A 36 31.595 -9.408 12.807 1.00 0.00 C ATOM 543 C GLU A 36 30.865 -8.910 11.534 1.00 0.00 C ATOM 544 O GLU A 36 29.897 -9.517 11.081 1.00 0.00 O ATOM 545 CB GLU A 36 33.137 -9.493 12.533 1.00 0.00 C ATOM 546 CG GLU A 36 33.999 -9.876 13.750 1.00 0.00 C ATOM 547 CD GLU A 36 35.512 -9.870 13.459 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.978 -10.706 12.652 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.240 -9.037 14.033 1.00 0.00 O ATOM 0 H GLU A 36 30.815 -11.360 12.504 1.00 0.00 H new ATOM 0 HA GLU A 36 31.411 -8.692 13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.310 -10.223 11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.477 -8.528 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.791 -9.183 14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.707 -10.868 14.094 1.00 0.00 H new ATOM 556 N PHE A 37 31.341 -7.773 10.980 1.00 0.00 N ATOM 557 CA PHE A 37 30.848 -7.201 9.711 1.00 0.00 C ATOM 558 C PHE A 37 31.991 -7.236 8.672 1.00 0.00 C ATOM 559 O PHE A 37 32.985 -6.511 8.807 1.00 0.00 O ATOM 560 CB PHE A 37 30.364 -5.734 9.905 1.00 0.00 C ATOM 561 CG PHE A 37 29.207 -5.534 10.897 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.414 -5.614 12.276 1.00 0.00 C ATOM 563 CD2 PHE A 37 27.917 -5.244 10.449 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.373 -5.415 13.167 1.00 0.00 C ATOM 565 CE2 PHE A 37 26.879 -5.041 11.342 1.00 0.00 C ATOM 566 CZ PHE A 37 27.107 -5.127 12.700 1.00 0.00 C ATOM 0 H PHE A 37 32.086 -7.222 11.407 1.00 0.00 H new ATOM 0 HA PHE A 37 30.000 -7.792 9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.211 -5.134 10.238 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.057 -5.342 8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.402 -5.835 12.653 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.726 -5.177 9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.552 -5.485 14.230 1.00 0.00 H new ATOM 0 HE2 PHE A 37 25.889 -4.815 10.975 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.296 -4.969 13.396 1.00 0.00 H new ATOM 576 N LEU A 38 31.846 -8.108 7.664 1.00 0.00 N ATOM 577 CA LEU A 38 32.788 -8.239 6.538 1.00 0.00 C ATOM 578 C LEU A 38 32.239 -7.440 5.350 1.00 0.00 C ATOM 579 O LEU A 38 31.169 -7.768 4.821 1.00 0.00 O ATOM 580 CB LEU A 38 32.973 -9.741 6.145 1.00 0.00 C ATOM 581 CG LEU A 38 33.875 -10.616 7.072 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.320 -10.110 7.066 1.00 0.00 C ATOM 583 CD2 LEU A 38 33.321 -10.722 8.506 1.00 0.00 C ATOM 0 H LEU A 38 31.059 -8.754 7.605 1.00 0.00 H new ATOM 0 HA LEU A 38 33.764 -7.850 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.986 -10.202 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.388 -9.778 5.138 1.00 0.00 H new ATOM 0 HG LEU A 38 33.867 -11.626 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.928 -10.736 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.716 -10.152 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.346 -9.080 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.986 -11.341 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.255 -9.727 8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.329 -11.174 8.480 1.00 0.00 H new ATOM 595 N ALA A 39 32.963 -6.384 4.954 1.00 0.00 N ATOM 596 CA ALA A 39 32.576 -5.540 3.822 1.00 0.00 C ATOM 597 C ALA A 39 33.026 -6.195 2.508 1.00 0.00 C ATOM 598 O ALA A 39 34.171 -6.030 2.063 1.00 0.00 O ATOM 599 CB ALA A 39 33.161 -4.136 3.996 1.00 0.00 C ATOM 0 H ALA A 39 33.829 -6.094 5.409 1.00 0.00 H new ATOM 0 HA ALA A 39 31.491 -5.441 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.869 -3.513 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.783 -3.696 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.248 -4.198 4.043 1.00 0.00 H new ATOM 605 N VAL A 40 32.107 -6.970 1.922 1.00 0.00 N ATOM 606 CA VAL A 40 32.330 -7.712 0.674 1.00 0.00 C ATOM 607 C VAL A 40 32.031 -6.792 -0.527 1.00 0.00 C ATOM 608 O VAL A 40 30.894 -6.342 -0.665 1.00 0.00 O ATOM 609 CB VAL A 40 31.405 -8.992 0.610 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.705 -9.857 -0.643 1.00 0.00 C ATOM 611 CG2 VAL A 40 31.514 -9.820 1.916 1.00 0.00 C ATOM 0 H VAL A 40 31.172 -7.102 2.307 1.00 0.00 H new ATOM 0 HA VAL A 40 33.370 -8.038 0.640 1.00 0.00 H new ATOM 0 HB VAL A 40 30.374 -8.650 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.048 -10.727 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 40 31.534 -9.266 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 40 32.744 -10.186 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 30.868 -10.695 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 32.546 -10.141 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.205 -9.207 2.762 1.00 0.00 H new ATOM 621 N PRO A 41 33.032 -6.494 -1.423 1.00 0.00 N ATOM 622 CA PRO A 41 32.805 -5.614 -2.604 1.00 0.00 C ATOM 623 C PRO A 41 31.750 -6.217 -3.572 1.00 0.00 C ATOM 624 O PRO A 41 31.640 -7.441 -3.678 1.00 0.00 O ATOM 625 CB PRO A 41 34.214 -5.520 -3.249 1.00 0.00 C ATOM 626 CG PRO A 41 34.925 -6.762 -2.792 1.00 0.00 C ATOM 627 CD PRO A 41 34.436 -7.004 -1.380 1.00 0.00 C ATOM 0 HA PRO A 41 32.400 -4.637 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.150 -5.478 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.739 -4.621 -2.925 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.694 -7.608 -3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.006 -6.628 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.474 -8.060 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.038 -6.469 -0.646 1.00 0.00 H new ATOM 635 N LYS A 42 30.980 -5.353 -4.273 1.00 0.00 N ATOM 636 CA LYS A 42 29.855 -5.779 -5.153 1.00 0.00 C ATOM 637 C LYS A 42 30.347 -6.584 -6.372 1.00 0.00 C ATOM 638 O LYS A 42 29.605 -7.401 -6.932 1.00 0.00 O ATOM 639 CB LYS A 42 29.001 -4.556 -5.615 1.00 0.00 C ATOM 640 CG LYS A 42 28.345 -3.738 -4.470 1.00 0.00 C ATOM 641 CD LYS A 42 27.526 -4.602 -3.480 1.00 0.00 C ATOM 642 CE LYS A 42 26.373 -5.402 -4.127 1.00 0.00 C ATOM 643 NZ LYS A 42 25.333 -4.519 -4.707 1.00 0.00 N ATOM 0 H LYS A 42 31.116 -4.342 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 42 29.222 -6.436 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.636 -3.889 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.216 -4.913 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.124 -3.210 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 42 27.692 -2.981 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.200 -5.299 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.112 -3.953 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.775 -6.048 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.919 -6.051 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.581 -5.100 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 24.929 -3.920 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.758 -3.917 -5.440 1.00 0.00 H new ATOM 657 N LYS A 43 31.610 -6.344 -6.750 1.00 0.00 N ATOM 658 CA LYS A 43 32.305 -7.089 -7.816 1.00 0.00 C ATOM 659 C LYS A 43 32.540 -8.566 -7.414 1.00 0.00 C ATOM 660 O LYS A 43 32.722 -9.431 -8.278 1.00 0.00 O ATOM 661 CB LYS A 43 33.651 -6.389 -8.134 1.00 0.00 C ATOM 662 CG LYS A 43 34.646 -6.348 -6.948 1.00 0.00 C ATOM 663 CD LYS A 43 35.930 -5.545 -7.258 1.00 0.00 C ATOM 664 CE LYS A 43 36.696 -6.091 -8.474 1.00 0.00 C ATOM 665 NZ LYS A 43 37.123 -7.502 -8.287 1.00 0.00 N ATOM 0 H LYS A 43 32.187 -5.620 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 43 31.676 -7.093 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.124 -6.901 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.448 -5.368 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.151 -5.909 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.920 -7.368 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.666 -4.503 -7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.583 -5.562 -6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.065 -6.020 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.573 -5.470 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.693 -7.803 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.692 -7.581 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.284 -8.111 -8.207 1.00 0.00 H new ATOM 679 N SER A 44 32.558 -8.831 -6.089 1.00 0.00 N ATOM 680 CA SER A 44 32.693 -10.191 -5.545 1.00 0.00 C ATOM 681 C SER A 44 31.324 -10.897 -5.524 1.00 0.00 C ATOM 682 O SER A 44 31.275 -12.118 -5.648 1.00 0.00 O ATOM 683 CB SER A 44 33.320 -10.169 -4.132 1.00 0.00 C ATOM 684 OG SER A 44 33.550 -11.484 -3.641 1.00 0.00 O ATOM 0 H SER A 44 32.479 -8.108 -5.373 1.00 0.00 H new ATOM 0 HA SER A 44 33.364 -10.752 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.261 -9.620 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.660 -9.635 -3.449 1.00 0.00 H new ATOM 0 HG SER A 44 33.802 -11.440 -2.695 1.00 0.00 H new ATOM 690 N ILE A 45 30.211 -10.123 -5.364 1.00 0.00 N ATOM 691 CA ILE A 45 28.846 -10.697 -5.453 1.00 0.00 C ATOM 692 C ILE A 45 28.656 -11.249 -6.888 1.00 0.00 C ATOM 693 O ILE A 45 28.677 -10.493 -7.866 1.00 0.00 O ATOM 694 CB ILE A 45 27.686 -9.660 -5.082 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.613 -9.349 -3.539 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.295 -10.159 -5.584 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.841 -8.705 -2.917 1.00 0.00 C ATOM 0 H ILE A 45 30.236 -9.121 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 45 28.761 -11.491 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 45 27.942 -8.732 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.759 -8.695 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.414 -10.282 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.529 -9.431 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.320 -10.277 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.063 -11.118 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.667 -8.542 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.701 -9.361 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.037 -7.749 -3.404 1.00 0.00 H new ATOM 709 N LYS A 46 28.520 -12.576 -6.977 1.00 0.00 N ATOM 710 CA LYS A 46 28.418 -13.318 -8.244 1.00 0.00 C ATOM 711 C LYS A 46 26.964 -13.347 -8.723 1.00 0.00 C ATOM 712 O LYS A 46 26.665 -12.972 -9.863 1.00 0.00 O ATOM 713 CB LYS A 46 28.948 -14.771 -8.045 1.00 0.00 C ATOM 714 CG LYS A 46 30.350 -14.863 -7.406 1.00 0.00 C ATOM 715 CD LYS A 46 31.464 -14.200 -8.255 1.00 0.00 C ATOM 716 CE LYS A 46 31.745 -14.941 -9.572 1.00 0.00 C ATOM 717 NZ LYS A 46 32.230 -16.326 -9.338 1.00 0.00 N ATOM 0 H LYS A 46 28.477 -13.179 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 46 29.023 -12.818 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.242 -15.319 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.971 -15.271 -9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.324 -14.391 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.600 -15.912 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.178 -13.172 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 32.381 -14.156 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.836 -14.972 -10.172 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.488 -14.389 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.583 -16.726 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.999 -16.311 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.448 -16.912 -8.981 1.00 0.00 H new ATOM 731 N SER A 47 26.064 -13.775 -7.822 1.00 0.00 N ATOM 732 CA SER A 47 24.646 -13.990 -8.142 1.00 0.00 C ATOM 733 C SER A 47 23.748 -13.608 -6.955 1.00 0.00 C ATOM 734 O SER A 47 24.173 -13.649 -5.792 1.00 0.00 O ATOM 735 CB SER A 47 24.412 -15.471 -8.520 1.00 0.00 C ATOM 736 OG SER A 47 25.164 -15.851 -9.661 1.00 0.00 O ATOM 0 H SER A 47 26.301 -13.981 -6.852 1.00 0.00 H new ATOM 0 HA SER A 47 24.386 -13.352 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.683 -16.108 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.352 -15.633 -8.714 1.00 0.00 H new ATOM 0 HG SER A 47 24.991 -16.793 -9.868 1.00 0.00 H new ATOM 742 N VAL A 48 22.497 -13.249 -7.278 1.00 0.00 N ATOM 743 CA VAL A 48 21.434 -12.960 -6.299 1.00 0.00 C ATOM 744 C VAL A 48 20.293 -13.986 -6.482 1.00 0.00 C ATOM 745 O VAL A 48 19.580 -13.994 -7.496 1.00 0.00 O ATOM 746 CB VAL A 48 20.917 -11.468 -6.433 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.606 -11.092 -7.906 1.00 0.00 C ATOM 748 CG2 VAL A 48 19.699 -11.191 -5.500 1.00 0.00 C ATOM 0 H VAL A 48 22.188 -13.149 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 48 21.834 -13.055 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 48 21.730 -10.821 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.255 -10.061 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.510 -11.194 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.835 -11.756 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.375 -10.157 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.880 -11.861 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 48 19.989 -11.360 -4.463 1.00 0.00 H new ATOM 758 N GLU A 49 20.170 -14.886 -5.500 1.00 0.00 N ATOM 759 CA GLU A 49 19.144 -15.938 -5.469 1.00 0.00 C ATOM 760 C GLU A 49 18.023 -15.540 -4.488 1.00 0.00 C ATOM 761 O GLU A 49 18.168 -14.576 -3.715 1.00 0.00 O ATOM 762 CB GLU A 49 19.775 -17.295 -5.038 1.00 0.00 C ATOM 763 CG GLU A 49 21.082 -17.684 -5.770 1.00 0.00 C ATOM 764 CD GLU A 49 20.920 -17.846 -7.291 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.400 -18.895 -7.736 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.314 -16.935 -8.053 1.00 0.00 O ATOM 0 H GLU A 49 20.790 -14.905 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 49 18.723 -16.053 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.976 -17.259 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.041 -18.084 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.837 -16.923 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.456 -18.619 -5.353 1.00 0.00 H new ATOM 773 N ASP A 50 16.920 -16.294 -4.511 1.00 0.00 N ATOM 774 CA ASP A 50 15.773 -16.065 -3.613 1.00 0.00 C ATOM 775 C ASP A 50 16.141 -16.482 -2.176 1.00 0.00 C ATOM 776 O ASP A 50 16.069 -17.664 -1.821 1.00 0.00 O ATOM 777 CB ASP A 50 14.528 -16.838 -4.123 1.00 0.00 C ATOM 778 CG ASP A 50 14.137 -16.450 -5.562 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.759 -16.973 -6.515 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.221 -15.614 -5.747 1.00 0.00 O ATOM 0 H ASP A 50 16.792 -17.079 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 50 15.527 -15.003 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.728 -17.909 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.687 -16.644 -3.457 1.00 0.00 H new ATOM 785 N GLY A 51 16.610 -15.503 -1.378 1.00 0.00 N ATOM 786 CA GLY A 51 17.012 -15.742 0.012 1.00 0.00 C ATOM 787 C GLY A 51 18.500 -16.040 0.166 1.00 0.00 C ATOM 788 O GLY A 51 18.965 -16.306 1.279 1.00 0.00 O ATOM 0 H GLY A 51 16.718 -14.535 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.760 -14.867 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.438 -16.578 0.411 1.00 0.00 H new ATOM 792 N ARG A 52 19.260 -15.992 -0.952 1.00 0.00 N ATOM 793 CA ARG A 52 20.715 -16.256 -0.958 1.00 0.00 C ATOM 794 C ARG A 52 21.446 -15.177 -1.773 1.00 0.00 C ATOM 795 O ARG A 52 20.937 -14.716 -2.785 1.00 0.00 O ATOM 796 CB ARG A 52 21.034 -17.665 -1.549 1.00 0.00 C ATOM 797 CG ARG A 52 20.440 -18.857 -0.765 1.00 0.00 C ATOM 798 CD ARG A 52 20.899 -20.223 -1.300 1.00 0.00 C ATOM 799 NE ARG A 52 20.456 -21.334 -0.430 1.00 0.00 N ATOM 800 CZ ARG A 52 20.361 -22.623 -0.793 1.00 0.00 C ATOM 801 NH1 ARG A 52 20.596 -23.008 -2.048 1.00 0.00 N ATOM 802 NH2 ARG A 52 20.022 -23.531 0.114 1.00 0.00 N ATOM 0 H ARG A 52 18.882 -15.770 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 52 21.062 -16.231 0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.664 -17.704 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.116 -17.785 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.724 -18.771 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.352 -18.805 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 52 20.505 -20.370 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.986 -20.235 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 52 20.200 -21.100 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.854 -22.318 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.518 -23.993 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.837 -23.247 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.947 -24.513 -0.151 1.00 0.00 H new ATOM 816 N ILE A 53 22.628 -14.757 -1.292 1.00 0.00 N ATOM 817 CA ILE A 53 23.565 -13.912 -2.058 1.00 0.00 C ATOM 818 C ILE A 53 24.872 -14.693 -2.246 1.00 0.00 C ATOM 819 O ILE A 53 25.661 -14.818 -1.306 1.00 0.00 O ATOM 820 CB ILE A 53 23.868 -12.536 -1.336 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.569 -11.701 -1.110 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.922 -11.700 -2.113 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.863 -11.257 -2.386 1.00 0.00 C ATOM 0 H ILE A 53 22.963 -14.994 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 53 23.105 -13.673 -3.017 1.00 0.00 H new ATOM 0 HB ILE A 53 24.284 -12.782 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.874 -12.292 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.820 -10.817 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.103 -10.763 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.853 -12.263 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.550 -11.487 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.972 -10.684 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.536 -10.636 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.575 -12.134 -2.966 1.00 0.00 H new ATOM 835 N VAL A 54 25.088 -15.228 -3.456 1.00 0.00 N ATOM 836 CA VAL A 54 26.313 -15.961 -3.788 1.00 0.00 C ATOM 837 C VAL A 54 27.444 -14.947 -4.014 1.00 0.00 C ATOM 838 O VAL A 54 27.363 -14.132 -4.934 1.00 0.00 O ATOM 839 CB VAL A 54 26.120 -16.864 -5.064 1.00 0.00 C ATOM 840 CG1 VAL A 54 27.424 -17.626 -5.427 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.926 -17.844 -4.875 1.00 0.00 C ATOM 0 H VAL A 54 24.422 -15.164 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 54 26.564 -16.625 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 54 25.886 -16.207 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.253 -18.239 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.220 -16.909 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.716 -18.266 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.813 -18.457 -5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 54 25.116 -18.488 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.012 -17.275 -4.707 1.00 0.00 H new ATOM 851 N ILE A 55 28.453 -14.964 -3.127 1.00 0.00 N ATOM 852 CA ILE A 55 29.658 -14.123 -3.255 1.00 0.00 C ATOM 853 C ILE A 55 30.864 -15.006 -3.614 1.00 0.00 C ATOM 854 O ILE A 55 30.875 -16.213 -3.333 1.00 0.00 O ATOM 855 CB ILE A 55 29.944 -13.277 -1.949 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.251 -14.195 -0.725 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.760 -12.331 -1.636 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.562 -13.471 0.576 1.00 0.00 C ATOM 0 H ILE A 55 28.457 -15.561 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 55 29.483 -13.404 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 55 30.830 -12.672 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.395 -14.850 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 55 31.097 -14.834 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.979 -11.760 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.610 -11.647 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.855 -12.919 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.760 -14.201 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.439 -12.838 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.710 -12.854 0.862 1.00 0.00 H new ATOM 870 N GLY A 56 31.883 -14.385 -4.219 1.00 0.00 N ATOM 871 CA GLY A 56 33.001 -15.098 -4.840 1.00 0.00 C ATOM 872 C GLY A 56 34.322 -14.797 -4.166 1.00 0.00 C ATOM 873 O GLY A 56 34.383 -14.686 -2.938 1.00 0.00 O ATOM 0 H GLY A 56 31.954 -13.370 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.812 -16.171 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.063 -14.824 -5.893 1.00 0.00 H new ATOM 877 N GLU A 57 35.384 -14.650 -4.979 1.00 0.00 N ATOM 878 CA GLU A 57 36.749 -14.416 -4.491 1.00 0.00 C ATOM 879 C GLU A 57 36.948 -12.943 -4.076 1.00 0.00 C ATOM 880 O GLU A 57 36.688 -12.014 -4.853 1.00 0.00 O ATOM 881 CB GLU A 57 37.779 -14.877 -5.563 1.00 0.00 C ATOM 882 CG GLU A 57 37.604 -14.247 -6.960 1.00 0.00 C ATOM 883 CD GLU A 57 38.416 -14.964 -8.053 1.00 0.00 C ATOM 884 OE1 GLU A 57 37.907 -15.948 -8.638 1.00 0.00 O ATOM 885 OE2 GLU A 57 39.569 -14.569 -8.317 1.00 0.00 O ATOM 0 H GLU A 57 35.316 -14.691 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 57 36.915 -15.012 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.782 -14.647 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.716 -15.961 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.548 -14.265 -7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.905 -13.200 -6.920 1.00 0.00 H new ATOM 892 N PHE A 58 37.348 -12.767 -2.810 1.00 0.00 N ATOM 893 CA PHE A 58 37.694 -11.477 -2.207 1.00 0.00 C ATOM 894 C PHE A 58 38.578 -11.747 -0.982 1.00 0.00 C ATOM 895 O PHE A 58 38.429 -12.793 -0.326 1.00 0.00 O ATOM 896 CB PHE A 58 36.419 -10.663 -1.803 1.00 0.00 C ATOM 897 CG PHE A 58 35.626 -11.237 -0.620 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.852 -12.383 -0.769 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.676 -10.638 0.643 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.159 -12.915 0.299 1.00 0.00 C ATOM 901 CE2 PHE A 58 34.976 -11.171 1.708 1.00 0.00 C ATOM 902 CZ PHE A 58 34.221 -12.310 1.537 1.00 0.00 C ATOM 0 H PHE A 58 37.442 -13.545 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 58 38.231 -10.870 -2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.720 -9.644 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.758 -10.601 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.793 -12.863 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.270 -9.747 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.566 -13.808 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.021 -10.694 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 58 33.678 -12.729 2.371 1.00 0.00 H new ATOM 912 N ASP A 59 39.498 -10.821 -0.677 1.00 0.00 N ATOM 913 CA ASP A 59 40.321 -10.902 0.537 1.00 0.00 C ATOM 914 C ASP A 59 39.448 -10.590 1.755 1.00 0.00 C ATOM 915 O ASP A 59 39.113 -9.437 1.992 1.00 0.00 O ATOM 916 CB ASP A 59 41.532 -9.942 0.476 1.00 0.00 C ATOM 917 CG ASP A 59 42.554 -10.321 -0.608 1.00 0.00 C ATOM 918 OD1 ASP A 59 43.340 -11.272 -0.391 1.00 0.00 O ATOM 919 OD2 ASP A 59 42.570 -9.683 -1.678 1.00 0.00 O ATOM 0 H ASP A 59 39.691 -10.004 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 59 40.720 -11.913 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.175 -8.929 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.029 -9.932 1.446 1.00 0.00 H new ATOM 924 N GLU A 60 39.043 -11.647 2.471 1.00 0.00 N ATOM 925 CA GLU A 60 38.147 -11.555 3.637 1.00 0.00 C ATOM 926 C GLU A 60 38.844 -10.922 4.857 1.00 0.00 C ATOM 927 O GLU A 60 38.189 -10.276 5.673 1.00 0.00 O ATOM 928 CB GLU A 60 37.562 -12.956 3.952 1.00 0.00 C ATOM 929 CG GLU A 60 38.614 -14.054 4.245 1.00 0.00 C ATOM 930 CD GLU A 60 38.073 -15.482 4.061 1.00 0.00 C ATOM 931 OE1 GLU A 60 38.158 -16.018 2.932 1.00 0.00 O ATOM 932 OE2 GLU A 60 37.524 -16.061 5.025 1.00 0.00 O ATOM 0 H GLU A 60 39.330 -12.602 2.257 1.00 0.00 H new ATOM 0 HA GLU A 60 37.323 -10.885 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 60 36.898 -12.871 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 60 36.950 -13.276 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.471 -13.910 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.974 -13.939 5.267 1.00 0.00 H new ATOM 939 N GLU A 61 40.171 -11.091 4.959 1.00 0.00 N ATOM 940 CA GLU A 61 40.972 -10.480 6.038 1.00 0.00 C ATOM 941 C GLU A 61 41.096 -8.960 5.810 1.00 0.00 C ATOM 942 O GLU A 61 41.015 -8.151 6.747 1.00 0.00 O ATOM 943 CB GLU A 61 42.368 -11.148 6.108 1.00 0.00 C ATOM 944 CG GLU A 61 43.257 -10.672 7.273 1.00 0.00 C ATOM 945 CD GLU A 61 44.569 -11.468 7.397 1.00 0.00 C ATOM 946 OE1 GLU A 61 44.575 -12.525 8.068 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.596 -11.047 6.819 1.00 0.00 O ATOM 0 H GLU A 61 40.718 -11.649 4.304 1.00 0.00 H new ATOM 0 HA GLU A 61 40.470 -10.641 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 61 42.235 -12.227 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 61 42.892 -10.961 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.491 -9.616 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.699 -10.756 8.206 1.00 0.00 H new ATOM 954 N GLU A 62 41.270 -8.585 4.534 1.00 0.00 N ATOM 955 CA GLU A 62 41.308 -7.178 4.106 1.00 0.00 C ATOM 956 C GLU A 62 39.896 -6.556 4.123 1.00 0.00 C ATOM 957 O GLU A 62 39.744 -5.365 4.391 1.00 0.00 O ATOM 958 CB GLU A 62 42.010 -7.036 2.733 1.00 0.00 C ATOM 959 CG GLU A 62 43.517 -7.388 2.785 1.00 0.00 C ATOM 960 CD GLU A 62 44.248 -7.228 1.440 1.00 0.00 C ATOM 961 OE1 GLU A 62 44.427 -6.079 0.980 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.656 -8.241 0.837 1.00 0.00 O ATOM 0 H GLU A 62 41.388 -9.249 3.769 1.00 0.00 H new ATOM 0 HA GLU A 62 41.905 -6.613 4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 62 41.516 -7.684 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.894 -6.013 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 62 44.002 -6.754 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.627 -8.418 3.125 1.00 0.00 H new ATOM 969 N ALA A 63 38.866 -7.380 3.871 1.00 0.00 N ATOM 970 CA ALA A 63 37.449 -6.972 4.001 1.00 0.00 C ATOM 971 C ALA A 63 37.091 -6.755 5.484 1.00 0.00 C ATOM 972 O ALA A 63 36.156 -6.018 5.801 1.00 0.00 O ATOM 973 CB ALA A 63 36.515 -8.020 3.368 1.00 0.00 C ATOM 0 H ALA A 63 38.987 -8.348 3.572 1.00 0.00 H new ATOM 0 HA ALA A 63 37.312 -6.032 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.480 -7.697 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.753 -8.127 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.651 -8.978 3.869 1.00 0.00 H new ATOM 979 N ARG A 64 37.846 -7.433 6.379 1.00 0.00 N ATOM 980 CA ARG A 64 37.688 -7.306 7.833 1.00 0.00 C ATOM 981 C ARG A 64 38.262 -5.963 8.309 1.00 0.00 C ATOM 982 O ARG A 64 37.653 -5.325 9.158 1.00 0.00 O ATOM 983 CB ARG A 64 38.347 -8.524 8.565 1.00 0.00 C ATOM 984 CG ARG A 64 38.018 -8.683 10.085 1.00 0.00 C ATOM 985 CD ARG A 64 38.915 -7.840 11.016 1.00 0.00 C ATOM 986 NE ARG A 64 38.537 -7.994 12.433 1.00 0.00 N ATOM 987 CZ ARG A 64 39.056 -7.296 13.457 1.00 0.00 C ATOM 988 NH1 ARG A 64 39.967 -6.344 13.261 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.644 -7.553 14.686 1.00 0.00 N ATOM 0 H ARG A 64 38.582 -8.084 6.105 1.00 0.00 H new ATOM 0 HA ARG A 64 36.627 -7.318 8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.042 -9.436 8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.429 -8.443 8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.977 -8.405 10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.115 -9.734 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.955 -8.137 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.845 -6.789 10.734 1.00 0.00 H new ATOM 0 HE ARG A 64 37.823 -8.688 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.286 -6.130 12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.345 -5.829 14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.941 -8.274 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.030 -7.031 15.473 1.00 0.00 H new ATOM 1003 N GLU A 65 39.431 -5.537 7.764 1.00 0.00 N ATOM 1004 CA GLU A 65 40.081 -4.278 8.213 1.00 0.00 C ATOM 1005 C GLU A 65 39.294 -3.038 7.744 1.00 0.00 C ATOM 1006 O GLU A 65 39.094 -2.097 8.519 1.00 0.00 O ATOM 1007 CB GLU A 65 41.579 -4.186 7.793 1.00 0.00 C ATOM 1008 CG GLU A 65 41.857 -4.140 6.284 1.00 0.00 C ATOM 1009 CD GLU A 65 43.355 -4.141 5.931 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.941 -5.236 5.788 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.955 -3.043 5.800 1.00 0.00 O ATOM 0 H GLU A 65 39.934 -6.034 7.029 1.00 0.00 H new ATOM 0 HA GLU A 65 40.064 -4.298 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 65 42.008 -3.293 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.106 -5.043 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.380 -4.998 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.395 -3.246 5.865 1.00 0.00 H new ATOM 1018 N LEU A 66 38.816 -3.045 6.488 1.00 0.00 N ATOM 1019 CA LEU A 66 37.990 -1.937 5.966 1.00 0.00 C ATOM 1020 C LEU A 66 36.518 -2.108 6.413 1.00 0.00 C ATOM 1021 O LEU A 66 35.722 -1.162 6.351 1.00 0.00 O ATOM 1022 CB LEU A 66 38.199 -1.771 4.426 1.00 0.00 C ATOM 1023 CG LEU A 66 37.880 -2.994 3.490 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.384 -3.145 3.195 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.684 -2.933 2.173 1.00 0.00 C ATOM 0 H LEU A 66 38.984 -3.797 5.819 1.00 0.00 H new ATOM 0 HA LEU A 66 38.314 -0.990 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.586 -0.932 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.239 -1.489 4.261 1.00 0.00 H new ATOM 0 HG LEU A 66 38.191 -3.879 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 66 36.226 -4.005 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.842 -3.292 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 66 36.018 -2.245 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 66 38.435 -3.795 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.435 -2.018 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.751 -2.943 2.397 1.00 0.00 H new ATOM 1037 N GLY A 67 36.191 -3.324 6.899 1.00 0.00 N ATOM 1038 CA GLY A 67 34.903 -3.610 7.528 1.00 0.00 C ATOM 1039 C GLY A 67 34.802 -3.034 8.942 1.00 0.00 C ATOM 1040 O GLY A 67 33.796 -2.429 9.291 1.00 0.00 O ATOM 0 H GLY A 67 36.818 -4.128 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.102 -3.198 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.753 -4.689 7.567 1.00 0.00 H new ATOM 1044 N ARG A 68 35.869 -3.200 9.758 1.00 0.00 N ATOM 1045 CA ARG A 68 35.924 -2.647 11.135 1.00 0.00 C ATOM 1046 C ARG A 68 36.096 -1.120 11.074 1.00 0.00 C ATOM 1047 O ARG A 68 35.659 -0.392 11.977 1.00 0.00 O ATOM 1048 CB ARG A 68 37.030 -3.354 12.003 1.00 0.00 C ATOM 1049 CG ARG A 68 38.498 -3.294 11.481 1.00 0.00 C ATOM 1050 CD ARG A 68 39.262 -1.996 11.827 1.00 0.00 C ATOM 1051 NE ARG A 68 40.536 -1.882 11.080 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.749 -1.688 11.615 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.922 -1.630 12.933 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.796 -1.546 10.816 1.00 0.00 N ATOM 0 H ARG A 68 36.707 -3.714 9.487 1.00 0.00 H new ATOM 0 HA ARG A 68 34.980 -2.855 11.639 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.009 -2.914 13.000 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.754 -4.403 12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 68 39.048 -4.141 11.890 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.488 -3.414 10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 68 38.633 -1.135 11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.467 -1.971 12.897 1.00 0.00 H new ATOM 0 HE ARG A 68 40.485 -1.958 10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.122 -1.734 13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.854 -1.482 13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 68 42.674 -1.585 9.804 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.724 -1.398 11.213 1.00 0.00 H new ATOM 1068 N LYS A 69 36.743 -0.649 9.981 1.00 0.00 N ATOM 1069 CA LYS A 69 36.834 0.785 9.641 1.00 0.00 C ATOM 1070 C LYS A 69 35.422 1.356 9.429 1.00 0.00 C ATOM 1071 O LYS A 69 35.135 2.491 9.831 1.00 0.00 O ATOM 1072 CB LYS A 69 37.658 0.996 8.347 1.00 0.00 C ATOM 1073 CG LYS A 69 37.797 2.479 7.900 1.00 0.00 C ATOM 1074 CD LYS A 69 38.189 2.631 6.414 1.00 0.00 C ATOM 1075 CE LYS A 69 37.109 2.079 5.462 1.00 0.00 C ATOM 1076 NZ LYS A 69 37.488 2.235 4.041 1.00 0.00 N ATOM 0 H LYS A 69 37.216 -1.256 9.312 1.00 0.00 H new ATOM 0 HA LYS A 69 37.330 1.299 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.655 0.580 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.193 0.429 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.853 2.995 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.548 2.970 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.361 3.684 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.129 2.110 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 69 36.941 1.024 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 69 36.167 2.596 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 36.734 1.851 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 37.624 3.244 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 38.373 1.720 3.859 1.00 0.00 H new ATOM 1090 N TRP A 70 34.557 0.547 8.776 1.00 0.00 N ATOM 1091 CA TRP A 70 33.147 0.892 8.583 1.00 0.00 C ATOM 1092 C TRP A 70 32.447 1.089 9.942 1.00 0.00 C ATOM 1093 O TRP A 70 31.725 2.059 10.111 1.00 0.00 O ATOM 1094 CB TRP A 70 32.400 -0.156 7.721 1.00 0.00 C ATOM 1095 CG TRP A 70 30.925 0.142 7.537 1.00 0.00 C ATOM 1096 CD1 TRP A 70 30.366 1.003 6.639 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.828 -0.409 8.283 1.00 0.00 C ATOM 1098 NE1 TRP A 70 29.002 0.992 6.757 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.651 0.138 7.763 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.737 -1.330 9.326 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.396 -0.186 8.258 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.490 -1.650 9.822 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.335 -1.087 9.281 1.00 0.00 C ATOM 0 H TRP A 70 34.822 -0.353 8.375 1.00 0.00 H new ATOM 0 HA TRP A 70 33.115 1.833 8.034 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.875 -0.212 6.741 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.508 -1.137 8.184 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.920 1.607 5.936 1.00 0.00 H new ATOM 0 HE1 TRP A 70 28.353 1.534 6.186 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.626 -1.784 9.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.501 0.258 7.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.407 -2.348 10.642 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.372 -1.370 9.680 1.00 0.00 H new ATOM 1114 N LEU A 71 32.692 0.176 10.912 1.00 0.00 N ATOM 1115 CA LEU A 71 32.128 0.308 12.288 1.00 0.00 C ATOM 1116 C LEU A 71 32.573 1.620 12.970 1.00 0.00 C ATOM 1117 O LEU A 71 31.820 2.192 13.773 1.00 0.00 O ATOM 1118 CB LEU A 71 32.482 -0.906 13.203 1.00 0.00 C ATOM 1119 CG LEU A 71 31.636 -2.201 13.013 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.124 -1.910 13.118 1.00 0.00 C ATOM 1121 CD2 LEU A 71 31.985 -2.913 11.705 1.00 0.00 C ATOM 0 H LEU A 71 33.270 -0.654 10.775 1.00 0.00 H new ATOM 0 HA LEU A 71 31.046 0.328 12.159 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.530 -1.158 13.042 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.387 -0.588 14.241 1.00 0.00 H new ATOM 0 HG LEU A 71 31.891 -2.879 13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 29.565 -2.836 12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.901 -1.494 14.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.837 -1.195 12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.376 -3.811 11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.789 -2.247 10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.040 -3.189 11.711 1.00 0.00 H new ATOM 1133 N GLU A 72 33.787 2.081 12.645 1.00 0.00 N ATOM 1134 CA GLU A 72 34.333 3.336 13.182 1.00 0.00 C ATOM 1135 C GLU A 72 33.624 4.550 12.540 1.00 0.00 C ATOM 1136 O GLU A 72 33.196 5.472 13.246 1.00 0.00 O ATOM 1137 CB GLU A 72 35.870 3.399 12.936 1.00 0.00 C ATOM 1138 CG GLU A 72 36.622 4.494 13.731 1.00 0.00 C ATOM 1139 CD GLU A 72 38.153 4.501 13.514 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.789 3.428 13.631 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.727 5.585 13.261 1.00 0.00 O ATOM 0 H GLU A 72 34.417 1.598 12.005 1.00 0.00 H new ATOM 0 HA GLU A 72 34.154 3.368 14.257 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.302 2.430 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 72 36.045 3.560 11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.223 5.469 13.451 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.418 4.360 14.793 1.00 0.00 H new