USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 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 Set 1.1: A 25 TYR OH : rot -56:sc= 0.758 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -142:sc= 0.23 (180deg=-0.0169) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0.606 (180deg=0.603) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 30:sc= 0.135 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0926) USER MOD Single : A 35 THR OG1 : rot -16:sc= 0.291 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 106:sc= 0.314 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 ----------------------------------------------------------------- ATOM 123 N MET A 9 19.911 -9.916 2.811 1.00 0.00 N ATOM 124 CA MET A 9 19.786 -11.301 2.329 1.00 0.00 C ATOM 125 C MET A 9 20.846 -12.184 2.996 1.00 0.00 C ATOM 126 O MET A 9 21.859 -11.683 3.491 1.00 0.00 O ATOM 127 CB MET A 9 19.987 -11.374 0.793 1.00 0.00 C ATOM 128 CG MET A 9 18.984 -10.601 -0.062 1.00 0.00 C ATOM 129 SD MET A 9 19.205 -10.989 -1.811 1.00 0.00 S ATOM 130 CE MET A 9 17.962 -9.974 -2.584 1.00 0.00 C ATOM 0 HA MET A 9 18.785 -11.652 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.987 -11.007 0.562 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.955 -12.422 0.494 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.968 -10.850 0.245 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.112 -9.530 0.097 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.993 -10.120 -3.664 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.978 -10.254 -2.208 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.153 -8.926 -2.354 1.00 0.00 H new ATOM 140 N TYR A 10 20.614 -13.503 2.961 1.00 0.00 N ATOM 141 CA TYR A 10 21.560 -14.508 3.473 1.00 0.00 C ATOM 142 C TYR A 10 22.670 -14.724 2.435 1.00 0.00 C ATOM 143 O TYR A 10 22.418 -15.235 1.346 1.00 0.00 O ATOM 144 CB TYR A 10 20.815 -15.832 3.783 1.00 0.00 C ATOM 145 CG TYR A 10 19.705 -15.660 4.828 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.004 -15.617 6.190 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.365 -15.506 4.452 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.014 -15.442 7.136 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.374 -15.327 5.397 1.00 0.00 C ATOM 150 CZ TYR A 10 17.704 -15.295 6.736 1.00 0.00 C ATOM 151 OH TYR A 10 16.718 -15.129 7.683 1.00 0.00 O ATOM 0 H TYR A 10 19.761 -13.907 2.575 1.00 0.00 H new ATOM 0 HA TYR A 10 22.011 -14.157 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.383 -16.224 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.532 -16.572 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.030 -15.723 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.102 -15.528 3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.266 -15.420 8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.345 -15.213 5.089 1.00 0.00 H new ATOM 0 HH TYR A 10 15.849 -15.038 7.238 1.00 0.00 H new ATOM 161 N VAL A 11 23.886 -14.287 2.777 1.00 0.00 N ATOM 162 CA VAL A 11 25.045 -14.322 1.880 1.00 0.00 C ATOM 163 C VAL A 11 25.767 -15.681 1.972 1.00 0.00 C ATOM 164 O VAL A 11 26.067 -16.167 3.059 1.00 0.00 O ATOM 165 CB VAL A 11 26.024 -13.143 2.205 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.268 -13.142 1.273 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.263 -11.791 2.137 1.00 0.00 C ATOM 0 H VAL A 11 24.095 -13.895 3.695 1.00 0.00 H new ATOM 0 HA VAL A 11 24.692 -14.200 0.856 1.00 0.00 H new ATOM 0 HB VAL A 11 26.399 -13.284 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.918 -12.307 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.813 -14.078 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.946 -13.040 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.949 -10.975 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.854 -11.653 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.450 -11.794 2.863 1.00 0.00 H new ATOM 177 N PHE A 12 25.977 -16.291 0.804 1.00 0.00 N ATOM 178 CA PHE A 12 26.724 -17.536 0.622 1.00 0.00 C ATOM 179 C PHE A 12 28.060 -17.226 -0.069 1.00 0.00 C ATOM 180 O PHE A 12 28.065 -16.639 -1.154 1.00 0.00 O ATOM 181 CB PHE A 12 25.901 -18.532 -0.250 1.00 0.00 C ATOM 182 CG PHE A 12 24.554 -18.915 0.354 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.444 -18.084 0.209 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.401 -20.094 1.078 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.227 -18.423 0.769 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.181 -20.431 1.634 1.00 0.00 C ATOM 187 CZ PHE A 12 22.095 -19.593 1.483 1.00 0.00 C ATOM 0 H PHE A 12 25.618 -15.917 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 12 26.909 -17.991 1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.735 -18.089 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.489 -19.437 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.536 -17.163 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.246 -20.754 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.377 -17.768 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.078 -21.352 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.144 -19.854 1.924 1.00 0.00 H new ATOM 197 N LYS A 13 29.192 -17.603 0.560 1.00 0.00 N ATOM 198 CA LYS A 13 30.513 -17.504 -0.079 1.00 0.00 C ATOM 199 C LYS A 13 30.697 -18.719 -1.002 1.00 0.00 C ATOM 200 O LYS A 13 31.142 -19.789 -0.568 1.00 0.00 O ATOM 201 CB LYS A 13 31.661 -17.380 0.961 1.00 0.00 C ATOM 202 CG LYS A 13 33.064 -17.221 0.324 1.00 0.00 C ATOM 203 CD LYS A 13 34.206 -17.192 1.361 1.00 0.00 C ATOM 204 CE LYS A 13 35.590 -17.022 0.703 1.00 0.00 C ATOM 205 NZ LYS A 13 36.688 -17.061 1.695 1.00 0.00 N ATOM 0 H LYS A 13 29.214 -17.978 1.508 1.00 0.00 H new ATOM 0 HA LYS A 13 30.560 -16.590 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.465 -16.523 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.659 -18.264 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.235 -18.043 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.088 -16.300 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 13 34.037 -16.375 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 13 34.192 -18.116 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.740 -17.811 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.621 -16.074 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 37.597 -16.909 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 36.543 -16.314 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 36.697 -17.988 2.167 1.00 0.00 H new ATOM 219 N GLY A 14 30.279 -18.554 -2.267 1.00 0.00 N ATOM 220 CA GLY A 14 30.255 -19.647 -3.226 1.00 0.00 C ATOM 221 C GLY A 14 29.155 -20.649 -2.897 1.00 0.00 C ATOM 222 O GLY A 14 27.989 -20.436 -3.253 1.00 0.00 O ATOM 0 H GLY A 14 29.953 -17.663 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 14 30.100 -19.250 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 14 31.221 -20.152 -3.229 1.00 0.00 H new ATOM 226 N GLU A 15 29.529 -21.723 -2.175 1.00 0.00 N ATOM 227 CA GLU A 15 28.624 -22.842 -1.830 1.00 0.00 C ATOM 228 C GLU A 15 28.432 -22.978 -0.301 1.00 0.00 C ATOM 229 O GLU A 15 27.558 -23.735 0.149 1.00 0.00 O ATOM 230 CB GLU A 15 29.172 -24.158 -2.458 1.00 0.00 C ATOM 231 CG GLU A 15 29.317 -24.072 -3.992 1.00 0.00 C ATOM 232 CD GLU A 15 29.782 -25.375 -4.650 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.956 -26.297 -4.789 1.00 0.00 O ATOM 234 OE2 GLU A 15 30.966 -25.478 -5.044 1.00 0.00 O ATOM 0 H GLU A 15 30.474 -21.841 -1.811 1.00 0.00 H new ATOM 0 HA GLU A 15 27.637 -22.634 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.142 -24.389 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.504 -24.981 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.358 -23.783 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.027 -23.281 -4.235 1.00 0.00 H new ATOM 241 N GLU A 16 29.245 -22.249 0.497 1.00 0.00 N ATOM 242 CA GLU A 16 29.116 -22.231 1.973 1.00 0.00 C ATOM 243 C GLU A 16 28.173 -21.087 2.388 1.00 0.00 C ATOM 244 O GLU A 16 28.143 -20.049 1.727 1.00 0.00 O ATOM 245 CB GLU A 16 30.513 -22.056 2.659 1.00 0.00 C ATOM 246 CG GLU A 16 31.106 -20.638 2.537 1.00 0.00 C ATOM 247 CD GLU A 16 32.540 -20.498 3.054 1.00 0.00 C ATOM 248 OE1 GLU A 16 33.485 -20.741 2.272 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.732 -20.137 4.235 1.00 0.00 O ATOM 0 H GLU A 16 30.001 -21.663 0.142 1.00 0.00 H new ATOM 0 HA GLU A 16 28.701 -23.185 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.420 -22.309 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.212 -22.768 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.081 -20.337 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.468 -19.944 3.083 1.00 0.00 H new ATOM 256 N SER A 17 27.403 -21.278 3.470 1.00 0.00 N ATOM 257 CA SER A 17 26.541 -20.223 4.023 1.00 0.00 C ATOM 258 C SER A 17 27.398 -19.295 4.906 1.00 0.00 C ATOM 259 O SER A 17 27.762 -19.659 6.028 1.00 0.00 O ATOM 260 CB SER A 17 25.363 -20.844 4.817 1.00 0.00 C ATOM 261 OG SER A 17 24.449 -19.852 5.255 1.00 0.00 O ATOM 0 H SER A 17 27.360 -22.159 3.982 1.00 0.00 H new ATOM 0 HA SER A 17 26.105 -19.635 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.842 -21.568 4.190 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.751 -21.388 5.678 1.00 0.00 H new ATOM 0 HG SER A 17 23.718 -20.277 5.750 1.00 0.00 H new ATOM 267 N PHE A 18 27.753 -18.117 4.367 1.00 0.00 N ATOM 268 CA PHE A 18 28.701 -17.186 5.003 1.00 0.00 C ATOM 269 C PHE A 18 28.033 -16.422 6.176 1.00 0.00 C ATOM 270 O PHE A 18 28.523 -16.483 7.307 1.00 0.00 O ATOM 271 CB PHE A 18 29.270 -16.212 3.928 1.00 0.00 C ATOM 272 CG PHE A 18 30.359 -15.261 4.429 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.510 -15.753 5.049 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.226 -13.877 4.296 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.490 -14.894 5.514 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.208 -13.021 4.763 1.00 0.00 C ATOM 277 CZ PHE A 18 32.337 -13.531 5.374 1.00 0.00 C ATOM 0 H PHE A 18 27.390 -17.782 3.475 1.00 0.00 H new ATOM 0 HA PHE A 18 29.529 -17.753 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.673 -16.800 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.449 -15.620 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.637 -16.819 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.345 -13.469 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.376 -15.292 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.092 -11.953 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.100 -12.862 5.742 1.00 0.00 H new ATOM 287 N GLY A 19 26.908 -15.736 5.899 1.00 0.00 N ATOM 288 CA GLY A 19 26.215 -14.920 6.906 1.00 0.00 C ATOM 289 C GLY A 19 24.988 -14.220 6.344 1.00 0.00 C ATOM 290 O GLY A 19 24.214 -14.830 5.603 1.00 0.00 O ATOM 0 H GLY A 19 26.461 -15.733 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.917 -15.555 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.905 -14.175 7.302 1.00 0.00 H new ATOM 294 N GLU A 20 24.807 -12.935 6.709 1.00 0.00 N ATOM 295 CA GLU A 20 23.693 -12.089 6.234 1.00 0.00 C ATOM 296 C GLU A 20 24.177 -10.636 6.074 1.00 0.00 C ATOM 297 O GLU A 20 24.893 -10.119 6.939 1.00 0.00 O ATOM 298 CB GLU A 20 22.489 -12.147 7.222 1.00 0.00 C ATOM 299 CG GLU A 20 21.278 -11.273 6.818 1.00 0.00 C ATOM 300 CD GLU A 20 20.143 -11.297 7.857 1.00 0.00 C ATOM 301 OE1 GLU A 20 20.139 -10.451 8.781 1.00 0.00 O ATOM 302 OE2 GLU A 20 19.264 -12.181 7.776 1.00 0.00 O ATOM 0 H GLU A 20 25.437 -12.450 7.348 1.00 0.00 H new ATOM 0 HA GLU A 20 23.357 -12.467 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.159 -13.182 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.831 -11.836 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.611 -10.245 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.892 -11.618 5.859 1.00 0.00 H new ATOM 309 N SER A 21 23.785 -9.989 4.965 1.00 0.00 N ATOM 310 CA SER A 21 24.083 -8.579 4.697 1.00 0.00 C ATOM 311 C SER A 21 23.155 -7.673 5.528 1.00 0.00 C ATOM 312 O SER A 21 21.931 -7.732 5.388 1.00 0.00 O ATOM 313 CB SER A 21 23.939 -8.300 3.185 1.00 0.00 C ATOM 314 OG SER A 21 22.684 -8.735 2.687 1.00 0.00 O ATOM 0 H SER A 21 23.247 -10.437 4.224 1.00 0.00 H new ATOM 0 HA SER A 21 25.109 -8.359 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 21 24.053 -7.232 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 21 24.740 -8.805 2.644 1.00 0.00 H new ATOM 0 HG SER A 21 22.013 -8.681 3.399 1.00 0.00 H new ATOM 320 N ILE A 22 23.758 -6.866 6.411 1.00 0.00 N ATOM 321 CA ILE A 22 23.041 -5.916 7.283 1.00 0.00 C ATOM 322 C ILE A 22 22.951 -4.533 6.591 1.00 0.00 C ATOM 323 O ILE A 22 21.928 -3.841 6.699 1.00 0.00 O ATOM 324 CB ILE A 22 23.746 -5.846 8.717 1.00 0.00 C ATOM 325 CG1 ILE A 22 22.953 -4.969 9.775 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.229 -5.408 8.610 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.242 -3.462 9.783 1.00 0.00 C ATOM 0 H ILE A 22 24.769 -6.852 6.544 1.00 0.00 H new ATOM 0 HA ILE A 22 22.020 -6.260 7.449 1.00 0.00 H new ATOM 0 HB ILE A 22 23.725 -6.866 9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.886 -5.109 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.167 -5.361 10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.671 -5.373 9.606 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.776 -6.123 7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.284 -4.420 8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.637 -2.980 10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.298 -3.295 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.997 -3.039 8.809 1.00 0.00 H new ATOM 339 N ASP A 23 24.009 -4.163 5.830 1.00 0.00 N ATOM 340 CA ASP A 23 24.137 -2.815 5.228 1.00 0.00 C ATOM 341 C ASP A 23 24.939 -2.887 3.905 1.00 0.00 C ATOM 342 O ASP A 23 25.401 -3.961 3.516 1.00 0.00 O ATOM 343 CB ASP A 23 24.811 -1.872 6.276 1.00 0.00 C ATOM 344 CG ASP A 23 24.866 -0.392 5.855 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.824 0.300 5.933 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.947 0.081 5.441 1.00 0.00 O ATOM 0 H ASP A 23 24.790 -4.784 5.618 1.00 0.00 H new ATOM 0 HA ASP A 23 23.156 -2.414 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.269 -1.949 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.826 -2.222 6.463 1.00 0.00 H new ATOM 351 N VAL A 24 25.047 -1.743 3.202 1.00 0.00 N ATOM 352 CA VAL A 24 25.909 -1.568 2.020 1.00 0.00 C ATOM 353 C VAL A 24 26.306 -0.078 1.910 1.00 0.00 C ATOM 354 O VAL A 24 25.481 0.809 2.165 1.00 0.00 O ATOM 355 CB VAL A 24 25.198 -2.061 0.692 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.865 -1.311 0.433 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.151 -1.970 -0.531 1.00 0.00 C ATOM 0 H VAL A 24 24.527 -0.900 3.445 1.00 0.00 H new ATOM 0 HA VAL A 24 26.802 -2.182 2.143 1.00 0.00 H new ATOM 0 HB VAL A 24 24.948 -3.112 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.412 -1.681 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.184 -1.481 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.061 -0.243 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.631 -2.316 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.465 -0.936 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.027 -2.595 -0.357 1.00 0.00 H new ATOM 367 N TYR A 25 27.580 0.192 1.557 1.00 0.00 N ATOM 368 CA TYR A 25 28.082 1.554 1.294 1.00 0.00 C ATOM 369 C TYR A 25 29.065 1.502 0.102 1.00 0.00 C ATOM 370 O TYR A 25 29.996 0.681 0.093 1.00 0.00 O ATOM 371 CB TYR A 25 28.739 2.168 2.580 1.00 0.00 C ATOM 372 CG TYR A 25 30.168 1.684 2.915 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.434 0.357 3.256 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.253 2.561 2.868 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.722 -0.068 3.537 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.535 2.136 3.144 1.00 0.00 C ATOM 377 CZ TYR A 25 32.768 0.824 3.481 1.00 0.00 C ATOM 378 OH TYR A 25 34.055 0.403 3.756 1.00 0.00 O ATOM 0 H TYR A 25 28.290 -0.532 1.446 1.00 0.00 H new ATOM 0 HA TYR A 25 27.253 2.211 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.762 3.252 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.095 1.949 3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.620 -0.352 3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.084 3.596 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.905 -1.099 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.357 2.835 3.095 1.00 0.00 H new ATOM 0 HH TYR A 25 34.081 -0.009 4.645 1.00 0.00 H new ATOM 388 N GLY A 26 28.816 2.351 -0.907 1.00 0.00 N ATOM 389 CA GLY A 26 29.682 2.475 -2.082 1.00 0.00 C ATOM 390 C GLY A 26 29.829 1.176 -2.879 1.00 0.00 C ATOM 391 O GLY A 26 28.892 0.740 -3.556 1.00 0.00 O ATOM 0 H GLY A 26 28.006 2.971 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.282 3.249 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.669 2.808 -1.761 1.00 0.00 H new ATOM 395 N ASP A 27 31.013 0.548 -2.755 1.00 0.00 N ATOM 396 CA ASP A 27 31.373 -0.693 -3.472 1.00 0.00 C ATOM 397 C ASP A 27 31.453 -1.898 -2.519 1.00 0.00 C ATOM 398 O ASP A 27 31.990 -2.937 -2.902 1.00 0.00 O ATOM 399 CB ASP A 27 32.745 -0.519 -4.193 1.00 0.00 C ATOM 400 CG ASP A 27 32.685 0.425 -5.400 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.258 -0.015 -6.494 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.062 1.608 -5.265 1.00 0.00 O ATOM 0 H ASP A 27 31.757 0.891 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 27 30.589 -0.885 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.476 -0.138 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.100 -1.495 -4.522 1.00 0.00 H new ATOM 407 N TYR A 28 30.910 -1.779 -1.292 1.00 0.00 N ATOM 408 CA TYR A 28 31.082 -2.812 -0.240 1.00 0.00 C ATOM 409 C TYR A 28 29.755 -3.124 0.482 1.00 0.00 C ATOM 410 O TYR A 28 29.201 -2.274 1.176 1.00 0.00 O ATOM 411 CB TYR A 28 32.157 -2.359 0.785 1.00 0.00 C ATOM 412 CG TYR A 28 33.557 -2.150 0.182 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.410 -3.238 -0.047 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.014 -0.878 -0.178 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.662 -3.060 -0.601 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.267 -0.702 -0.739 1.00 0.00 C ATOM 417 CZ TYR A 28 36.084 -1.792 -0.944 1.00 0.00 C ATOM 418 OH TYR A 28 37.333 -1.612 -1.493 1.00 0.00 O ATOM 0 H TYR A 28 30.348 -0.980 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 28 31.413 -3.728 -0.729 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.831 -1.428 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.223 -3.104 1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.082 -4.233 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.379 -0.020 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.308 -3.910 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.603 0.287 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 28 37.475 -0.660 -1.678 1.00 0.00 H new ATOM 428 N LEU A 29 29.268 -4.360 0.293 1.00 0.00 N ATOM 429 CA LEU A 29 28.114 -4.928 1.006 1.00 0.00 C ATOM 430 C LEU A 29 28.563 -5.417 2.398 1.00 0.00 C ATOM 431 O LEU A 29 29.341 -6.371 2.499 1.00 0.00 O ATOM 432 CB LEU A 29 27.540 -6.114 0.174 1.00 0.00 C ATOM 433 CG LEU A 29 26.224 -6.775 0.690 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.034 -5.790 0.646 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.904 -8.068 -0.105 1.00 0.00 C ATOM 0 H LEU A 29 29.677 -5.010 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 29 27.340 -4.171 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.365 -5.760 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.306 -6.887 0.115 1.00 0.00 H new ATOM 0 HG LEU A 29 26.383 -7.047 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.136 -6.287 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.253 -4.927 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.872 -5.460 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 24.982 -8.509 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.783 -7.825 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.722 -8.779 0.012 1.00 0.00 H new ATOM 447 N ILE A 30 28.092 -4.738 3.458 1.00 0.00 N ATOM 448 CA ILE A 30 28.403 -5.098 4.856 1.00 0.00 C ATOM 449 C ILE A 30 27.660 -6.393 5.237 1.00 0.00 C ATOM 450 O ILE A 30 26.458 -6.370 5.520 1.00 0.00 O ATOM 451 CB ILE A 30 28.014 -3.948 5.868 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.632 -2.582 5.443 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.438 -4.315 7.319 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.142 -2.562 5.475 1.00 0.00 C ATOM 0 H ILE A 30 27.484 -3.923 3.372 1.00 0.00 H new ATOM 0 HA ILE A 30 29.480 -5.248 4.924 1.00 0.00 H new ATOM 0 HB ILE A 30 26.929 -3.845 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.296 -2.339 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.253 -1.801 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.159 -3.507 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.936 -5.233 7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.517 -4.463 7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.499 -1.579 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.487 -2.773 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.530 -3.319 4.794 1.00 0.00 H new ATOM 466 N VAL A 31 28.383 -7.518 5.184 1.00 0.00 N ATOM 467 CA VAL A 31 27.874 -8.833 5.584 1.00 0.00 C ATOM 468 C VAL A 31 28.383 -9.159 6.990 1.00 0.00 C ATOM 469 O VAL A 31 29.576 -9.373 7.187 1.00 0.00 O ATOM 470 CB VAL A 31 28.328 -9.950 4.579 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.726 -11.327 4.963 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.982 -9.544 3.124 1.00 0.00 C ATOM 0 H VAL A 31 29.349 -7.540 4.858 1.00 0.00 H new ATOM 0 HA VAL A 31 26.784 -8.802 5.578 1.00 0.00 H new ATOM 0 HB VAL A 31 29.411 -10.053 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.058 -12.081 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.059 -11.603 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.638 -11.266 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.304 -10.330 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.905 -9.402 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.493 -8.614 2.874 1.00 0.00 H new ATOM 482 N LYS A 32 27.465 -9.205 7.955 1.00 0.00 N ATOM 483 CA LYS A 32 27.796 -9.473 9.354 1.00 0.00 C ATOM 484 C LYS A 32 27.744 -10.996 9.558 1.00 0.00 C ATOM 485 O LYS A 32 26.724 -11.622 9.256 1.00 0.00 O ATOM 486 CB LYS A 32 26.801 -8.714 10.296 1.00 0.00 C ATOM 487 CG LYS A 32 27.276 -8.506 11.765 1.00 0.00 C ATOM 488 CD LYS A 32 27.383 -9.810 12.596 1.00 0.00 C ATOM 489 CE LYS A 32 27.816 -9.560 14.042 1.00 0.00 C ATOM 490 NZ LYS A 32 26.813 -8.776 14.794 1.00 0.00 N ATOM 0 H LYS A 32 26.470 -9.057 7.788 1.00 0.00 H new ATOM 0 HA LYS A 32 28.794 -9.113 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.593 -7.737 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.859 -9.262 10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 32 28.250 -8.017 11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.585 -7.827 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.418 -10.317 12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.097 -10.481 12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.978 -10.515 14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.769 -9.031 14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 27.070 -8.759 15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.786 -7.803 14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.876 -9.214 14.683 1.00 0.00 H new ATOM 504 N VAL A 33 28.863 -11.593 10.027 1.00 0.00 N ATOM 505 CA VAL A 33 28.915 -13.028 10.404 1.00 0.00 C ATOM 506 C VAL A 33 29.497 -13.124 11.831 1.00 0.00 C ATOM 507 O VAL A 33 30.479 -12.435 12.147 1.00 0.00 O ATOM 508 CB VAL A 33 29.744 -13.923 9.365 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.530 -13.429 7.917 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.262 -14.032 9.693 1.00 0.00 C ATOM 0 H VAL A 33 29.748 -11.102 10.155 1.00 0.00 H new ATOM 0 HA VAL A 33 27.904 -13.435 10.378 1.00 0.00 H new ATOM 0 HB VAL A 33 29.345 -14.933 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.103 -14.053 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.471 -13.490 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.864 -12.395 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 33 31.752 -14.654 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.708 -13.037 9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.390 -14.481 10.678 1.00 0.00 H new ATOM 520 N GLY A 34 28.846 -13.926 12.695 1.00 0.00 N ATOM 521 CA GLY A 34 29.319 -14.192 14.065 1.00 0.00 C ATOM 522 C GLY A 34 29.416 -12.939 14.940 1.00 0.00 C ATOM 523 O GLY A 34 28.430 -12.534 15.564 1.00 0.00 O ATOM 0 H GLY A 34 27.977 -14.407 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.645 -14.904 14.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.299 -14.666 14.015 1.00 0.00 H new ATOM 527 N THR A 35 30.607 -12.311 14.941 1.00 0.00 N ATOM 528 CA THR A 35 30.922 -11.120 15.763 1.00 0.00 C ATOM 529 C THR A 35 31.441 -9.941 14.903 1.00 0.00 C ATOM 530 O THR A 35 31.509 -8.801 15.383 1.00 0.00 O ATOM 531 CB THR A 35 31.976 -11.491 16.871 1.00 0.00 C ATOM 532 OG1 THR A 35 32.384 -10.322 17.611 1.00 0.00 O ATOM 533 CG2 THR A 35 33.219 -12.212 16.301 1.00 0.00 C ATOM 0 H THR A 35 31.390 -12.618 14.364 1.00 0.00 H new ATOM 0 HA THR A 35 29.996 -10.794 16.238 1.00 0.00 H new ATOM 0 HB THR A 35 31.475 -12.187 17.543 1.00 0.00 H new ATOM 0 HG1 THR A 35 32.120 -9.516 17.120 1.00 0.00 H new ATOM 0 HG21 THR A 35 33.910 -12.442 17.112 1.00 0.00 H new ATOM 0 HG22 THR A 35 32.911 -13.137 15.813 1.00 0.00 H new ATOM 0 HG23 THR A 35 33.714 -11.566 15.576 1.00 0.00 H new ATOM 541 N GLU A 36 31.796 -10.215 13.631 1.00 0.00 N ATOM 542 CA GLU A 36 32.489 -9.235 12.757 1.00 0.00 C ATOM 543 C GLU A 36 31.601 -8.740 11.604 1.00 0.00 C ATOM 544 O GLU A 36 30.649 -9.414 11.199 1.00 0.00 O ATOM 545 CB GLU A 36 33.802 -9.855 12.188 1.00 0.00 C ATOM 546 CG GLU A 36 34.834 -10.245 13.266 1.00 0.00 C ATOM 547 CD GLU A 36 35.125 -9.097 14.251 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.664 -8.058 13.817 1.00 0.00 O ATOM 549 OE2 GLU A 36 34.770 -9.201 15.447 1.00 0.00 O ATOM 0 H GLU A 36 31.614 -11.112 13.180 1.00 0.00 H new ATOM 0 HA GLU A 36 32.727 -8.370 13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.550 -10.741 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.260 -9.142 11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.467 -11.109 13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 35.763 -10.548 12.782 1.00 0.00 H new ATOM 556 N PHE A 37 31.941 -7.538 11.097 1.00 0.00 N ATOM 557 CA PHE A 37 31.335 -6.944 9.895 1.00 0.00 C ATOM 558 C PHE A 37 32.343 -7.079 8.737 1.00 0.00 C ATOM 559 O PHE A 37 33.388 -6.417 8.732 1.00 0.00 O ATOM 560 CB PHE A 37 30.978 -5.450 10.150 1.00 0.00 C ATOM 561 CG PHE A 37 29.973 -5.229 11.290 1.00 0.00 C ATOM 562 CD1 PHE A 37 30.381 -5.262 12.626 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.622 -4.989 11.027 1.00 0.00 C ATOM 564 CE1 PHE A 37 29.479 -5.058 13.655 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.721 -4.781 12.058 1.00 0.00 C ATOM 566 CZ PHE A 37 28.149 -4.818 13.370 1.00 0.00 C ATOM 0 H PHE A 37 32.656 -6.946 11.520 1.00 0.00 H new ATOM 0 HA PHE A 37 30.410 -7.462 9.641 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.893 -4.903 10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.570 -5.024 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.419 -5.450 12.859 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.275 -4.965 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.815 -5.086 14.681 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.682 -4.590 11.835 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.444 -4.659 14.173 1.00 0.00 H new ATOM 576 N LEU A 38 32.028 -7.967 7.783 1.00 0.00 N ATOM 577 CA LEU A 38 32.875 -8.263 6.619 1.00 0.00 C ATOM 578 C LEU A 38 32.271 -7.560 5.405 1.00 0.00 C ATOM 579 O LEU A 38 31.246 -8.007 4.869 1.00 0.00 O ATOM 580 CB LEU A 38 32.956 -9.802 6.348 1.00 0.00 C ATOM 581 CG LEU A 38 33.504 -10.714 7.494 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.882 -10.250 7.981 1.00 0.00 C ATOM 583 CD2 LEU A 38 32.503 -10.859 8.662 1.00 0.00 C ATOM 0 H LEU A 38 31.164 -8.508 7.799 1.00 0.00 H new ATOM 0 HA LEU A 38 33.887 -7.909 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.956 -10.150 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.582 -9.955 5.469 1.00 0.00 H new ATOM 0 HG LEU A 38 33.629 -11.709 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.228 -10.910 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.590 -10.279 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.810 -9.231 8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.932 -11.502 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.293 -9.877 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.577 -11.301 8.295 1.00 0.00 H new ATOM 595 N ALA A 39 32.893 -6.461 4.989 1.00 0.00 N ATOM 596 CA ALA A 39 32.416 -5.667 3.858 1.00 0.00 C ATOM 597 C ALA A 39 32.923 -6.279 2.546 1.00 0.00 C ATOM 598 O ALA A 39 34.055 -6.010 2.117 1.00 0.00 O ATOM 599 CB ALA A 39 32.869 -4.215 4.029 1.00 0.00 C ATOM 0 H ALA A 39 33.740 -6.095 5.424 1.00 0.00 H new ATOM 0 HA ALA A 39 31.327 -5.674 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.514 -3.622 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.458 -3.812 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.958 -4.176 4.068 1.00 0.00 H new ATOM 605 N VAL A 40 32.085 -7.138 1.939 1.00 0.00 N ATOM 606 CA VAL A 40 32.419 -7.843 0.693 1.00 0.00 C ATOM 607 C VAL A 40 32.249 -6.869 -0.503 1.00 0.00 C ATOM 608 O VAL A 40 31.289 -6.099 -0.522 1.00 0.00 O ATOM 609 CB VAL A 40 31.534 -9.157 0.501 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.500 -9.996 1.803 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.091 -8.862 0.007 1.00 0.00 C ATOM 0 H VAL A 40 31.158 -7.362 2.300 1.00 0.00 H new ATOM 0 HA VAL A 40 33.456 -8.173 0.744 1.00 0.00 H new ATOM 0 HB VAL A 40 32.019 -9.735 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 30.891 -10.886 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.514 -10.293 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.071 -9.400 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.545 -9.799 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.581 -8.227 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.133 -8.352 -0.956 1.00 0.00 H new ATOM 621 N PRO A 41 33.186 -6.848 -1.500 1.00 0.00 N ATOM 622 CA PRO A 41 33.026 -6.016 -2.721 1.00 0.00 C ATOM 623 C PRO A 41 31.778 -6.447 -3.537 1.00 0.00 C ATOM 624 O PRO A 41 31.513 -7.645 -3.671 1.00 0.00 O ATOM 625 CB PRO A 41 34.351 -6.247 -3.502 1.00 0.00 C ATOM 626 CG PRO A 41 34.884 -7.547 -2.967 1.00 0.00 C ATOM 627 CD PRO A 41 34.468 -7.598 -1.512 1.00 0.00 C ATOM 0 HA PRO A 41 32.860 -4.962 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.174 -6.303 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.056 -5.432 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.476 -8.393 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 41 35.969 -7.595 -3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.338 -8.623 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.212 -7.135 -0.864 1.00 0.00 H new ATOM 635 N LYS A 42 31.016 -5.456 -4.057 1.00 0.00 N ATOM 636 CA LYS A 42 29.761 -5.695 -4.822 1.00 0.00 C ATOM 637 C LYS A 42 30.030 -6.486 -6.117 1.00 0.00 C ATOM 638 O LYS A 42 29.180 -7.250 -6.582 1.00 0.00 O ATOM 639 CB LYS A 42 29.024 -4.357 -5.150 1.00 0.00 C ATOM 640 CG LYS A 42 28.485 -3.576 -3.925 1.00 0.00 C ATOM 641 CD LYS A 42 27.539 -4.412 -3.027 1.00 0.00 C ATOM 642 CE LYS A 42 26.264 -4.913 -3.738 1.00 0.00 C ATOM 643 NZ LYS A 42 25.398 -3.798 -4.197 1.00 0.00 N ATOM 0 H LYS A 42 31.250 -4.468 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 42 29.112 -6.294 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.708 -3.710 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.189 -4.576 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.327 -3.228 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 42 27.954 -2.690 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.088 -5.272 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.248 -3.809 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.546 -5.527 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.700 -5.552 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.555 -4.184 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.106 -3.226 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.925 -3.202 -4.866 1.00 0.00 H new ATOM 657 N LYS A 43 31.233 -6.295 -6.666 1.00 0.00 N ATOM 658 CA LYS A 43 31.698 -6.972 -7.890 1.00 0.00 C ATOM 659 C LYS A 43 31.974 -8.479 -7.658 1.00 0.00 C ATOM 660 O LYS A 43 32.032 -9.248 -8.625 1.00 0.00 O ATOM 661 CB LYS A 43 32.962 -6.247 -8.417 1.00 0.00 C ATOM 662 CG LYS A 43 34.118 -6.151 -7.389 1.00 0.00 C ATOM 663 CD LYS A 43 35.283 -5.251 -7.868 1.00 0.00 C ATOM 664 CE LYS A 43 35.993 -5.794 -9.118 1.00 0.00 C ATOM 665 NZ LYS A 43 37.045 -4.867 -9.593 1.00 0.00 N ATOM 0 H LYS A 43 31.924 -5.658 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 43 30.906 -6.919 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.322 -6.769 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 43 32.685 -5.240 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 33.729 -5.761 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.500 -7.152 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 43 34.899 -4.253 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.009 -5.148 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.437 -6.764 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.263 -5.954 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.503 -5.265 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.617 -3.949 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.755 -4.734 -8.844 1.00 0.00 H new ATOM 679 N SER A 44 32.135 -8.893 -6.381 1.00 0.00 N ATOM 680 CA SER A 44 32.369 -10.308 -6.018 1.00 0.00 C ATOM 681 C SER A 44 31.087 -11.147 -6.191 1.00 0.00 C ATOM 682 O SER A 44 31.171 -12.351 -6.444 1.00 0.00 O ATOM 683 CB SER A 44 32.895 -10.426 -4.563 1.00 0.00 C ATOM 684 OG SER A 44 33.253 -11.767 -4.233 1.00 0.00 O ATOM 0 H SER A 44 32.107 -8.262 -5.580 1.00 0.00 H new ATOM 0 HA SER A 44 33.128 -10.700 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.762 -9.777 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.130 -10.074 -3.871 1.00 0.00 H new ATOM 0 HG SER A 44 34.229 -11.848 -4.205 1.00 0.00 H new ATOM 690 N ILE A 45 29.906 -10.495 -6.069 1.00 0.00 N ATOM 691 CA ILE A 45 28.600 -11.185 -6.130 1.00 0.00 C ATOM 692 C ILE A 45 28.412 -11.855 -7.513 1.00 0.00 C ATOM 693 O ILE A 45 28.366 -11.174 -8.540 1.00 0.00 O ATOM 694 CB ILE A 45 27.370 -10.222 -5.811 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.323 -9.752 -4.308 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.023 -10.915 -6.161 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.489 -8.933 -3.799 1.00 0.00 C ATOM 0 H ILE A 45 29.834 -9.487 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 45 28.611 -11.947 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 45 27.517 -9.339 -6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.414 -9.168 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.234 -10.639 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.197 -10.240 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.008 -11.166 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.918 -11.826 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.325 -8.679 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.408 -9.511 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.575 -8.018 -4.385 1.00 0.00 H new ATOM 709 N LYS A 46 28.339 -13.195 -7.502 1.00 0.00 N ATOM 710 CA LYS A 46 28.086 -14.021 -8.691 1.00 0.00 C ATOM 711 C LYS A 46 26.601 -13.969 -9.079 1.00 0.00 C ATOM 712 O LYS A 46 26.265 -13.762 -10.246 1.00 0.00 O ATOM 713 CB LYS A 46 28.508 -15.496 -8.419 1.00 0.00 C ATOM 714 CG LYS A 46 29.998 -15.730 -8.035 1.00 0.00 C ATOM 715 CD LYS A 46 31.019 -15.456 -9.183 1.00 0.00 C ATOM 716 CE LYS A 46 31.474 -13.987 -9.289 1.00 0.00 C ATOM 717 NZ LYS A 46 32.435 -13.783 -10.393 1.00 0.00 N ATOM 0 H LYS A 46 28.456 -13.744 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 46 28.678 -13.625 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.883 -15.888 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.288 -16.084 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.245 -15.091 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.115 -16.761 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.896 -16.086 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.571 -15.755 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 46 30.604 -13.348 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.932 -13.681 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.715 -12.782 -10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.277 -14.373 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.990 -14.051 -11.294 1.00 0.00 H new ATOM 731 N SER A 47 25.720 -14.155 -8.081 1.00 0.00 N ATOM 732 CA SER A 47 24.273 -14.269 -8.299 1.00 0.00 C ATOM 733 C SER A 47 23.498 -13.596 -7.157 1.00 0.00 C ATOM 734 O SER A 47 23.716 -13.911 -5.980 1.00 0.00 O ATOM 735 CB SER A 47 23.883 -15.768 -8.390 1.00 0.00 C ATOM 736 OG SER A 47 24.548 -16.419 -9.462 1.00 0.00 O ATOM 0 H SER A 47 25.994 -14.230 -7.101 1.00 0.00 H new ATOM 0 HA SER A 47 24.016 -13.766 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.130 -16.266 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.805 -15.856 -8.523 1.00 0.00 H new ATOM 0 HG SER A 47 24.280 -17.361 -9.489 1.00 0.00 H new ATOM 742 N VAL A 48 22.614 -12.650 -7.517 1.00 0.00 N ATOM 743 CA VAL A 48 21.595 -12.115 -6.604 1.00 0.00 C ATOM 744 C VAL A 48 20.309 -12.929 -6.803 1.00 0.00 C ATOM 745 O VAL A 48 19.656 -12.848 -7.850 1.00 0.00 O ATOM 746 CB VAL A 48 21.303 -10.587 -6.850 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.212 -10.047 -5.882 1.00 0.00 C ATOM 748 CG2 VAL A 48 22.596 -9.757 -6.733 1.00 0.00 C ATOM 0 H VAL A 48 22.587 -12.236 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 48 21.966 -12.200 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 48 20.919 -10.487 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.039 -8.990 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.286 -10.602 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.546 -10.171 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 48 22.370 -8.705 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 48 23.017 -9.878 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 48 23.317 -10.100 -7.475 1.00 0.00 H new ATOM 758 N GLU A 49 19.998 -13.733 -5.797 1.00 0.00 N ATOM 759 CA GLU A 49 18.770 -14.530 -5.702 1.00 0.00 C ATOM 760 C GLU A 49 17.864 -13.912 -4.613 1.00 0.00 C ATOM 761 O GLU A 49 18.323 -13.084 -3.812 1.00 0.00 O ATOM 762 CB GLU A 49 19.144 -15.993 -5.337 1.00 0.00 C ATOM 763 CG GLU A 49 19.992 -16.756 -6.380 1.00 0.00 C ATOM 764 CD GLU A 49 19.183 -17.194 -7.611 1.00 0.00 C ATOM 765 OE1 GLU A 49 18.509 -18.250 -7.548 1.00 0.00 O ATOM 766 OE2 GLU A 49 19.209 -16.497 -8.643 1.00 0.00 O ATOM 0 H GLU A 49 20.612 -13.857 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 49 18.236 -14.532 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.688 -15.983 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.223 -16.551 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.818 -16.122 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.431 -17.636 -5.909 1.00 0.00 H new ATOM 773 N ASP A 50 16.585 -14.316 -4.582 1.00 0.00 N ATOM 774 CA ASP A 50 15.605 -13.806 -3.594 1.00 0.00 C ATOM 775 C ASP A 50 15.949 -14.317 -2.181 1.00 0.00 C ATOM 776 O ASP A 50 15.676 -15.480 -1.851 1.00 0.00 O ATOM 777 CB ASP A 50 14.168 -14.224 -3.990 1.00 0.00 C ATOM 778 CG ASP A 50 13.723 -13.623 -5.334 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.097 -14.168 -6.397 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.006 -12.594 -5.337 1.00 0.00 O ATOM 0 H ASP A 50 16.197 -14.999 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 50 15.656 -12.717 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.113 -15.311 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.475 -13.910 -3.209 1.00 0.00 H new ATOM 785 N GLY A 51 16.608 -13.454 -1.381 1.00 0.00 N ATOM 786 CA GLY A 51 17.002 -13.784 -0.001 1.00 0.00 C ATOM 787 C GLY A 51 18.318 -14.556 0.081 1.00 0.00 C ATOM 788 O GLY A 51 18.660 -15.095 1.141 1.00 0.00 O ATOM 0 H GLY A 51 16.879 -12.515 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.092 -12.863 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.212 -14.374 0.464 1.00 0.00 H new ATOM 792 N ARG A 52 19.073 -14.573 -1.034 1.00 0.00 N ATOM 793 CA ARG A 52 20.325 -15.345 -1.177 1.00 0.00 C ATOM 794 C ARG A 52 21.322 -14.521 -2.010 1.00 0.00 C ATOM 795 O ARG A 52 20.985 -14.095 -3.108 1.00 0.00 O ATOM 796 CB ARG A 52 20.035 -16.700 -1.894 1.00 0.00 C ATOM 797 CG ARG A 52 19.195 -17.733 -1.085 1.00 0.00 C ATOM 798 CD ARG A 52 18.363 -18.671 -1.984 1.00 0.00 C ATOM 799 NE ARG A 52 17.189 -17.965 -2.547 1.00 0.00 N ATOM 800 CZ ARG A 52 16.696 -18.102 -3.782 1.00 0.00 C ATOM 801 NH1 ARG A 52 17.299 -18.870 -4.681 1.00 0.00 N ATOM 802 NH2 ARG A 52 15.610 -17.430 -4.123 1.00 0.00 N ATOM 0 H ARG A 52 18.829 -14.045 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 52 20.744 -15.551 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.515 -16.490 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.987 -17.161 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.864 -18.331 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.527 -17.200 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.986 -19.051 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.030 -19.533 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 52 16.709 -17.309 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.154 -19.368 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.907 -18.962 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.157 -16.815 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.225 -17.526 -5.062 1.00 0.00 H new ATOM 816 N ILE A 53 22.534 -14.287 -1.485 1.00 0.00 N ATOM 817 CA ILE A 53 23.605 -13.570 -2.214 1.00 0.00 C ATOM 818 C ILE A 53 24.809 -14.505 -2.381 1.00 0.00 C ATOM 819 O ILE A 53 25.586 -14.696 -1.454 1.00 0.00 O ATOM 820 CB ILE A 53 24.029 -12.243 -1.454 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.862 -11.211 -1.411 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.299 -11.594 -2.062 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.440 -10.662 -2.770 1.00 0.00 C ATOM 0 H ILE A 53 22.804 -14.586 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 53 23.231 -13.277 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 53 24.267 -12.539 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.998 -11.681 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.157 -10.377 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.547 -10.690 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.131 -12.296 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.113 -11.339 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.623 -9.953 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.286 -10.158 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.109 -11.482 -3.407 1.00 0.00 H new ATOM 835 N VAL A 54 24.956 -15.084 -3.577 1.00 0.00 N ATOM 836 CA VAL A 54 26.106 -15.927 -3.917 1.00 0.00 C ATOM 837 C VAL A 54 27.252 -15.019 -4.372 1.00 0.00 C ATOM 838 O VAL A 54 27.097 -14.284 -5.339 1.00 0.00 O ATOM 839 CB VAL A 54 25.753 -16.966 -5.046 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.977 -17.855 -5.404 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.524 -17.827 -4.641 1.00 0.00 C ATOM 0 H VAL A 54 24.282 -14.981 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 54 26.399 -16.499 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 54 25.488 -16.407 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.698 -18.561 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.793 -17.225 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.300 -18.404 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.299 -18.537 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.747 -18.370 -3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.663 -17.179 -4.480 1.00 0.00 H new ATOM 851 N ILE A 55 28.370 -15.037 -3.633 1.00 0.00 N ATOM 852 CA ILE A 55 29.591 -14.280 -3.970 1.00 0.00 C ATOM 853 C ILE A 55 30.698 -15.253 -4.409 1.00 0.00 C ATOM 854 O ILE A 55 30.592 -16.468 -4.192 1.00 0.00 O ATOM 855 CB ILE A 55 30.063 -13.378 -2.757 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.427 -14.238 -1.512 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.983 -12.332 -2.391 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.727 -13.459 -0.240 1.00 0.00 C ATOM 0 H ILE A 55 28.456 -15.582 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 55 29.369 -13.607 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 55 30.962 -12.851 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.603 -14.922 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 55 31.296 -14.849 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.332 -11.726 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.793 -11.690 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.062 -12.843 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.968 -14.154 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.574 -12.795 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.854 -12.869 0.040 1.00 0.00 H new ATOM 870 N GLY A 56 31.746 -14.713 -5.044 1.00 0.00 N ATOM 871 CA GLY A 56 32.804 -15.524 -5.639 1.00 0.00 C ATOM 872 C GLY A 56 33.929 -15.783 -4.664 1.00 0.00 C ATOM 873 O GLY A 56 33.914 -16.776 -3.923 1.00 0.00 O ATOM 0 H GLY A 56 31.880 -13.708 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.388 -16.474 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.197 -15.018 -6.521 1.00 0.00 H new ATOM 877 N GLU A 57 34.884 -14.850 -4.641 1.00 0.00 N ATOM 878 CA GLU A 57 36.079 -14.918 -3.796 1.00 0.00 C ATOM 879 C GLU A 57 36.419 -13.509 -3.301 1.00 0.00 C ATOM 880 O GLU A 57 36.205 -12.522 -4.020 1.00 0.00 O ATOM 881 CB GLU A 57 37.261 -15.529 -4.595 1.00 0.00 C ATOM 882 CG GLU A 57 37.606 -14.771 -5.894 1.00 0.00 C ATOM 883 CD GLU A 57 38.705 -15.459 -6.709 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.901 -15.218 -6.447 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.378 -16.279 -7.594 1.00 0.00 O ATOM 0 H GLU A 57 34.848 -14.011 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 57 35.891 -15.560 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.144 -15.552 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.021 -16.563 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.709 -14.681 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.925 -13.759 -5.645 1.00 0.00 H new ATOM 892 N PHE A 58 36.912 -13.439 -2.064 1.00 0.00 N ATOM 893 CA PHE A 58 37.316 -12.188 -1.403 1.00 0.00 C ATOM 894 C PHE A 58 38.119 -12.549 -0.141 1.00 0.00 C ATOM 895 O PHE A 58 37.910 -13.624 0.450 1.00 0.00 O ATOM 896 CB PHE A 58 36.077 -11.303 -1.032 1.00 0.00 C ATOM 897 CG PHE A 58 35.254 -11.841 0.142 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.555 -13.042 0.035 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.226 -11.173 1.368 1.00 0.00 C ATOM 900 CE1 PHE A 58 33.863 -13.552 1.109 1.00 0.00 C ATOM 901 CE2 PHE A 58 34.521 -11.687 2.433 1.00 0.00 C ATOM 902 CZ PHE A 58 33.845 -12.877 2.302 1.00 0.00 C ATOM 0 H PHE A 58 37.046 -14.263 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 58 37.928 -11.602 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.421 -10.298 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.431 -11.217 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.557 -13.579 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 58 35.763 -10.243 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.332 -14.487 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 58 34.499 -11.155 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 58 33.298 -13.281 3.141 1.00 0.00 H new ATOM 912 N ASP A 59 39.041 -11.671 0.251 1.00 0.00 N ATOM 913 CA ASP A 59 39.790 -11.815 1.502 1.00 0.00 C ATOM 914 C ASP A 59 38.986 -11.165 2.636 1.00 0.00 C ATOM 915 O ASP A 59 38.964 -9.938 2.766 1.00 0.00 O ATOM 916 CB ASP A 59 41.191 -11.183 1.368 1.00 0.00 C ATOM 917 CG ASP A 59 42.050 -11.829 0.272 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.577 -12.943 0.488 1.00 0.00 O ATOM 919 OD2 ASP A 59 42.177 -11.242 -0.821 1.00 0.00 O ATOM 0 H ASP A 59 39.291 -10.841 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 59 39.934 -12.871 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.083 -10.120 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.711 -11.265 2.322 1.00 0.00 H new ATOM 924 N GLU A 60 38.282 -12.018 3.403 1.00 0.00 N ATOM 925 CA GLU A 60 37.408 -11.602 4.523 1.00 0.00 C ATOM 926 C GLU A 60 38.172 -10.861 5.626 1.00 0.00 C ATOM 927 O GLU A 60 37.589 -10.019 6.304 1.00 0.00 O ATOM 928 CB GLU A 60 36.613 -12.798 5.136 1.00 0.00 C ATOM 929 CG GLU A 60 37.448 -13.967 5.717 1.00 0.00 C ATOM 930 CD GLU A 60 38.127 -14.829 4.641 1.00 0.00 C ATOM 931 OE1 GLU A 60 37.438 -15.676 4.032 1.00 0.00 O ATOM 932 OE2 GLU A 60 39.330 -14.633 4.363 1.00 0.00 O ATOM 0 H GLU A 60 38.302 -13.028 3.263 1.00 0.00 H new ATOM 0 HA GLU A 60 36.693 -10.907 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 60 35.974 -12.410 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 35.956 -13.200 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 60 38.211 -13.563 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 60 36.800 -14.600 6.323 1.00 0.00 H new ATOM 939 N GLU A 61 39.465 -11.181 5.802 1.00 0.00 N ATOM 940 CA GLU A 61 40.321 -10.495 6.792 1.00 0.00 C ATOM 941 C GLU A 61 40.537 -9.021 6.380 1.00 0.00 C ATOM 942 O GLU A 61 40.453 -8.107 7.213 1.00 0.00 O ATOM 943 CB GLU A 61 41.678 -11.229 6.954 1.00 0.00 C ATOM 944 CG GLU A 61 42.538 -10.756 8.146 1.00 0.00 C ATOM 945 CD GLU A 61 41.912 -11.084 9.517 1.00 0.00 C ATOM 946 OE1 GLU A 61 42.095 -12.221 10.000 1.00 0.00 O ATOM 947 OE2 GLU A 61 41.235 -10.213 10.119 1.00 0.00 O ATOM 0 H GLU A 61 39.943 -11.910 5.273 1.00 0.00 H new ATOM 0 HA GLU A 61 39.816 -10.514 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 61 41.486 -12.296 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 61 42.254 -11.103 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.522 -11.221 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.689 -9.679 8.071 1.00 0.00 H new ATOM 954 N GLU A 62 40.784 -8.796 5.076 1.00 0.00 N ATOM 955 CA GLU A 62 40.912 -7.437 4.511 1.00 0.00 C ATOM 956 C GLU A 62 39.543 -6.720 4.565 1.00 0.00 C ATOM 957 O GLU A 62 39.463 -5.528 4.863 1.00 0.00 O ATOM 958 CB GLU A 62 41.446 -7.487 3.051 1.00 0.00 C ATOM 959 CG GLU A 62 42.694 -8.374 2.839 1.00 0.00 C ATOM 960 CD GLU A 62 43.914 -7.977 3.685 1.00 0.00 C ATOM 961 OE1 GLU A 62 44.719 -7.138 3.230 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.088 -8.520 4.799 1.00 0.00 O ATOM 0 H GLU A 62 40.900 -9.542 4.390 1.00 0.00 H new ATOM 0 HA GLU A 62 41.632 -6.878 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.649 -7.848 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.683 -6.472 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.432 -9.407 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.973 -8.340 1.786 1.00 0.00 H new ATOM 969 N ALA A 63 38.467 -7.493 4.318 1.00 0.00 N ATOM 970 CA ALA A 63 37.069 -7.011 4.379 1.00 0.00 C ATOM 971 C ALA A 63 36.659 -6.649 5.829 1.00 0.00 C ATOM 972 O ALA A 63 35.745 -5.853 6.037 1.00 0.00 O ATOM 973 CB ALA A 63 36.116 -8.069 3.792 1.00 0.00 C ATOM 0 H ALA A 63 38.543 -8.479 4.068 1.00 0.00 H new ATOM 0 HA ALA A 63 36.998 -6.103 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.091 -7.703 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.382 -8.261 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.200 -8.992 4.365 1.00 0.00 H new ATOM 979 N ARG A 64 37.346 -7.268 6.810 1.00 0.00 N ATOM 980 CA ARG A 64 37.113 -7.060 8.252 1.00 0.00 C ATOM 981 C ARG A 64 37.681 -5.702 8.691 1.00 0.00 C ATOM 982 O ARG A 64 37.014 -4.956 9.413 1.00 0.00 O ATOM 983 CB ARG A 64 37.749 -8.244 9.053 1.00 0.00 C ATOM 984 CG ARG A 64 37.501 -8.276 10.591 1.00 0.00 C ATOM 985 CD ARG A 64 38.524 -7.457 11.405 1.00 0.00 C ATOM 986 NE ARG A 64 38.349 -7.655 12.853 1.00 0.00 N ATOM 987 CZ ARG A 64 39.121 -8.420 13.634 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.156 -9.099 13.127 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.836 -8.528 14.922 1.00 0.00 N ATOM 0 H ARG A 64 38.091 -7.938 6.618 1.00 0.00 H new ATOM 0 HA ARG A 64 36.043 -7.044 8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.375 -9.177 8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 64 38.826 -8.226 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.500 -7.896 10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 64 37.525 -9.311 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.534 -7.747 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.416 -6.399 11.166 1.00 0.00 H new ATOM 0 HE ARG A 64 37.573 -7.167 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.367 -9.038 12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.734 -9.677 13.736 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.035 -8.031 15.310 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.418 -9.108 15.526 1.00 0.00 H new ATOM 1003 N GLU A 65 38.930 -5.398 8.261 1.00 0.00 N ATOM 1004 CA GLU A 65 39.617 -4.139 8.648 1.00 0.00 C ATOM 1005 C GLU A 65 38.967 -2.917 7.971 1.00 0.00 C ATOM 1006 O GLU A 65 38.848 -1.847 8.585 1.00 0.00 O ATOM 1007 CB GLU A 65 41.142 -4.185 8.351 1.00 0.00 C ATOM 1008 CG GLU A 65 41.532 -4.408 6.880 1.00 0.00 C ATOM 1009 CD GLU A 65 43.042 -4.294 6.622 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.530 -3.181 6.344 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.749 -5.315 6.699 1.00 0.00 O ATOM 0 H GLU A 65 39.480 -6.002 7.650 1.00 0.00 H new ATOM 0 HA GLU A 65 39.500 -4.037 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.587 -3.248 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.585 -4.981 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.192 -5.395 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.009 -3.680 6.260 1.00 0.00 H new ATOM 1018 N LEU A 66 38.541 -3.070 6.702 1.00 0.00 N ATOM 1019 CA LEU A 66 37.820 -1.999 5.987 1.00 0.00 C ATOM 1020 C LEU A 66 36.316 -2.012 6.366 1.00 0.00 C ATOM 1021 O LEU A 66 35.596 -1.035 6.124 1.00 0.00 O ATOM 1022 CB LEU A 66 38.103 -2.083 4.449 1.00 0.00 C ATOM 1023 CG LEU A 66 37.552 -3.322 3.645 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.081 -3.155 3.241 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.418 -3.634 2.398 1.00 0.00 C ATOM 0 H LEU A 66 38.682 -3.919 6.154 1.00 0.00 H new ATOM 0 HA LEU A 66 38.192 -1.024 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.696 -1.183 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.184 -2.052 4.309 1.00 0.00 H new ATOM 0 HG LEU A 66 37.614 -4.170 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.753 -4.036 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.469 -3.037 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.975 -2.272 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 66 38.003 -4.495 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.422 -2.771 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.438 -3.857 2.710 1.00 0.00 H new ATOM 1037 N GLY A 67 35.868 -3.138 6.962 1.00 0.00 N ATOM 1038 CA GLY A 67 34.515 -3.267 7.508 1.00 0.00 C ATOM 1039 C GLY A 67 34.349 -2.547 8.846 1.00 0.00 C ATOM 1040 O GLY A 67 33.277 -2.002 9.140 1.00 0.00 O ATOM 0 H GLY A 67 36.438 -3.976 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.799 -2.865 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.278 -4.323 7.636 1.00 0.00 H new ATOM 1044 N ARG A 68 35.412 -2.566 9.681 1.00 0.00 N ATOM 1045 CA ARG A 68 35.454 -1.779 10.932 1.00 0.00 C ATOM 1046 C ARG A 68 35.763 -0.302 10.619 1.00 0.00 C ATOM 1047 O ARG A 68 35.476 0.579 11.432 1.00 0.00 O ATOM 1048 CB ARG A 68 36.466 -2.361 11.953 1.00 0.00 C ATOM 1049 CG ARG A 68 37.950 -2.157 11.596 1.00 0.00 C ATOM 1050 CD ARG A 68 38.908 -2.743 12.640 1.00 0.00 C ATOM 1051 NE ARG A 68 40.321 -2.513 12.286 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.363 -3.124 12.843 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.200 -4.029 13.805 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.576 -2.832 12.428 1.00 0.00 N ATOM 0 H ARG A 68 36.252 -3.118 9.510 1.00 0.00 H new ATOM 0 HA ARG A 68 34.471 -1.840 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.277 -1.907 12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.278 -3.430 12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.151 -2.618 10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.148 -1.091 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 68 38.701 -2.297 13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 68 38.728 -3.814 12.736 1.00 0.00 H new ATOM 0 HE ARG A 68 40.515 -1.830 11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.262 -4.266 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.013 -4.486 14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 68 42.710 -2.144 11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.383 -3.294 12.847 1.00 0.00 H new ATOM 1068 N LYS A 69 36.377 -0.044 9.438 1.00 0.00 N ATOM 1069 CA LYS A 69 36.524 1.322 8.901 1.00 0.00 C ATOM 1070 C LYS A 69 35.132 1.901 8.580 1.00 0.00 C ATOM 1071 O LYS A 69 34.904 3.098 8.760 1.00 0.00 O ATOM 1072 CB LYS A 69 37.407 1.335 7.630 1.00 0.00 C ATOM 1073 CG LYS A 69 37.570 2.725 6.968 1.00 0.00 C ATOM 1074 CD LYS A 69 38.332 2.684 5.621 1.00 0.00 C ATOM 1075 CE LYS A 69 37.671 1.762 4.582 1.00 0.00 C ATOM 1076 NZ LYS A 69 36.249 2.108 4.322 1.00 0.00 N ATOM 0 H LYS A 69 36.777 -0.769 8.842 1.00 0.00 H new ATOM 0 HA LYS A 69 37.014 1.937 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.395 0.952 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.979 0.648 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.583 3.158 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.099 3.386 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.394 3.694 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.354 2.348 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 69 38.230 1.817 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 69 37.731 0.730 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 35.697 1.236 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 35.869 2.642 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 36.185 2.688 3.461 1.00 0.00 H new ATOM 1090 N TRP A 70 34.206 1.026 8.106 1.00 0.00 N ATOM 1091 CA TRP A 70 32.780 1.381 7.958 1.00 0.00 C ATOM 1092 C TRP A 70 32.194 1.774 9.326 1.00 0.00 C ATOM 1093 O TRP A 70 31.606 2.841 9.440 1.00 0.00 O ATOM 1094 CB TRP A 70 31.945 0.239 7.318 1.00 0.00 C ATOM 1095 CG TRP A 70 30.439 0.463 7.369 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.693 1.304 6.587 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.507 -0.163 8.273 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.368 1.217 6.932 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.231 0.332 7.968 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.636 -1.097 9.303 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.088 -0.073 8.658 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.503 -1.498 9.986 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.242 -0.989 9.661 1.00 0.00 C ATOM 0 H TRP A 70 34.427 0.072 7.822 1.00 0.00 H new ATOM 0 HA TRP A 70 32.725 2.231 7.278 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.249 0.121 6.278 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.179 -0.696 7.826 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.090 1.943 5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.606 1.730 6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.604 -1.499 9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.115 0.324 8.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.594 -2.218 10.786 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.376 -1.325 10.211 1.00 0.00 H new ATOM 1114 N LEU A 71 32.389 0.903 10.356 1.00 0.00 N ATOM 1115 CA LEU A 71 31.944 1.168 11.762 1.00 0.00 C ATOM 1116 C LEU A 71 32.393 2.564 12.244 1.00 0.00 C ATOM 1117 O LEU A 71 31.637 3.268 12.908 1.00 0.00 O ATOM 1118 CB LEU A 71 32.492 0.086 12.743 1.00 0.00 C ATOM 1119 CG LEU A 71 31.850 -1.334 12.644 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.605 -2.347 13.540 1.00 0.00 C ATOM 1121 CD2 LEU A 71 30.343 -1.287 13.006 1.00 0.00 C ATOM 0 H LEU A 71 32.855 0.003 10.240 1.00 0.00 H new ATOM 0 HA LEU A 71 30.855 1.129 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.565 -0.012 12.577 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.359 0.450 13.762 1.00 0.00 H new ATOM 0 HG LEU A 71 31.937 -1.671 11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.138 -3.328 13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.645 -2.411 13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.564 -2.016 14.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 29.919 -2.288 12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.225 -0.920 14.026 1.00 0.00 H new ATOM 0 HD23 LEU A 71 29.824 -0.620 12.318 1.00 0.00 H new ATOM 1133 N GLU A 72 33.615 2.940 11.844 1.00 0.00 N ATOM 1134 CA GLU A 72 34.244 4.226 12.181 1.00 0.00 C ATOM 1135 C GLU A 72 33.575 5.403 11.427 1.00 0.00 C ATOM 1136 O GLU A 72 33.154 6.387 12.049 1.00 0.00 O ATOM 1137 CB GLU A 72 35.766 4.133 11.847 1.00 0.00 C ATOM 1138 CG GLU A 72 36.586 5.429 12.026 1.00 0.00 C ATOM 1139 CD GLU A 72 36.485 6.048 13.429 1.00 0.00 C ATOM 1140 OE1 GLU A 72 36.847 5.375 14.419 1.00 0.00 O ATOM 1141 OE2 GLU A 72 36.041 7.209 13.552 1.00 0.00 O ATOM 0 H GLU A 72 34.208 2.346 11.264 1.00 0.00 H new ATOM 0 HA GLU A 72 34.112 4.426 13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.207 3.359 12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.870 3.802 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 72 37.633 5.216 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.251 6.162 11.292 1.00 0.00 H new