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 Set 1.1: A 25 TYR OH : rot 180:sc= -1.89! USER MOD Set 1.2: A 69 LYS NZ :NH3+ -111:sc= -0.172 (180deg=-1.84) USER MOD Single : A 9 MET CE :methyl 165:sc= -0.138 (180deg=-0.764) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0524) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= -0.0229 (180deg=-0.148) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.412 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0294 (180deg=-0.27) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.202 -10.377 3.272 1.00 0.00 N ATOM 124 CA MET A 9 19.251 -11.629 2.497 1.00 0.00 C ATOM 125 C MET A 9 20.464 -12.478 2.914 1.00 0.00 C ATOM 126 O MET A 9 21.541 -11.935 3.211 1.00 0.00 O ATOM 127 CB MET A 9 19.288 -11.313 0.976 1.00 0.00 C ATOM 128 CG MET A 9 18.109 -10.456 0.477 1.00 0.00 C ATOM 129 SD MET A 9 18.191 -10.078 -1.289 1.00 0.00 S ATOM 130 CE MET A 9 17.961 -11.699 -2.014 1.00 0.00 C ATOM 0 HA MET A 9 18.351 -12.208 2.707 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.220 -10.796 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.300 -12.252 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.176 -10.979 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.084 -9.523 1.040 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.723 -11.594 -3.073 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.877 -12.280 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.143 -12.211 -1.508 1.00 0.00 H new ATOM 140 N TYR A 10 20.266 -13.805 2.938 1.00 0.00 N ATOM 141 CA TYR A 10 21.258 -14.769 3.438 1.00 0.00 C ATOM 142 C TYR A 10 22.426 -14.886 2.440 1.00 0.00 C ATOM 143 O TYR A 10 22.265 -15.435 1.348 1.00 0.00 O ATOM 144 CB TYR A 10 20.594 -16.155 3.658 1.00 0.00 C ATOM 145 CG TYR A 10 19.330 -16.135 4.534 1.00 0.00 C ATOM 146 CD1 TYR A 10 19.414 -16.174 5.924 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.053 -16.084 3.962 1.00 0.00 C ATOM 148 CE1 TYR A 10 18.278 -16.167 6.710 1.00 0.00 C ATOM 149 CE2 TYR A 10 16.920 -16.078 4.745 1.00 0.00 C ATOM 150 CZ TYR A 10 17.038 -16.123 6.118 1.00 0.00 C ATOM 151 OH TYR A 10 15.906 -16.125 6.904 1.00 0.00 O ATOM 0 H TYR A 10 19.406 -14.243 2.608 1.00 0.00 H new ATOM 0 HA TYR A 10 21.646 -14.415 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.338 -16.578 2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.324 -16.823 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.385 -16.210 6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.955 -16.049 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.364 -16.196 7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.943 -16.038 4.286 1.00 0.00 H new ATOM 0 HH TYR A 10 15.111 -16.090 6.332 1.00 0.00 H new ATOM 161 N VAL A 11 23.587 -14.332 2.811 1.00 0.00 N ATOM 162 CA VAL A 11 24.774 -14.314 1.948 1.00 0.00 C ATOM 163 C VAL A 11 25.514 -15.667 2.042 1.00 0.00 C ATOM 164 O VAL A 11 25.969 -16.061 3.114 1.00 0.00 O ATOM 165 CB VAL A 11 25.719 -13.121 2.329 1.00 0.00 C ATOM 166 CG1 VAL A 11 26.977 -13.074 1.423 1.00 0.00 C ATOM 167 CG2 VAL A 11 24.940 -11.775 2.291 1.00 0.00 C ATOM 0 H VAL A 11 23.730 -13.884 3.716 1.00 0.00 H new ATOM 0 HA VAL A 11 24.458 -14.166 0.915 1.00 0.00 H new ATOM 0 HB VAL A 11 26.069 -13.283 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.607 -12.234 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.537 -14.003 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.672 -12.952 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.611 -10.959 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.548 -11.609 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.114 -11.813 3.001 1.00 0.00 H new ATOM 177 N PHE A 12 25.572 -16.389 0.913 1.00 0.00 N ATOM 178 CA PHE A 12 26.310 -17.661 0.777 1.00 0.00 C ATOM 179 C PHE A 12 27.516 -17.450 -0.147 1.00 0.00 C ATOM 180 O PHE A 12 27.362 -16.905 -1.236 1.00 0.00 O ATOM 181 CB PHE A 12 25.390 -18.776 0.187 1.00 0.00 C ATOM 182 CG PHE A 12 24.321 -19.287 1.153 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.183 -18.539 1.419 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.463 -20.517 1.797 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.222 -18.997 2.300 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.497 -20.970 2.677 1.00 0.00 C ATOM 187 CZ PHE A 12 22.379 -20.209 2.927 1.00 0.00 C ATOM 0 H PHE A 12 25.102 -16.104 0.054 1.00 0.00 H new ATOM 0 HA PHE A 12 26.646 -17.977 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.900 -18.391 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.011 -19.615 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.046 -17.585 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.337 -21.122 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.344 -18.400 2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.621 -21.923 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.626 -20.564 3.615 1.00 0.00 H new ATOM 197 N LYS A 13 28.714 -17.871 0.291 1.00 0.00 N ATOM 198 CA LYS A 13 29.898 -17.896 -0.573 1.00 0.00 C ATOM 199 C LYS A 13 29.881 -19.225 -1.355 1.00 0.00 C ATOM 200 O LYS A 13 30.331 -20.262 -0.848 1.00 0.00 O ATOM 201 CB LYS A 13 31.209 -17.716 0.253 1.00 0.00 C ATOM 202 CG LYS A 13 32.478 -17.595 -0.623 1.00 0.00 C ATOM 203 CD LYS A 13 33.784 -17.497 0.196 1.00 0.00 C ATOM 204 CE LYS A 13 35.043 -17.607 -0.683 1.00 0.00 C ATOM 205 NZ LYS A 13 36.282 -17.696 0.119 1.00 0.00 N ATOM 0 H LYS A 13 28.885 -18.199 1.242 1.00 0.00 H new ATOM 0 HA LYS A 13 29.873 -17.061 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.119 -16.824 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.323 -18.564 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.537 -18.459 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.389 -16.713 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.802 -16.548 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.799 -18.288 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.962 -18.487 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.101 -16.740 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 37.102 -17.768 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 36.375 -16.845 0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 36.241 -18.537 0.729 1.00 0.00 H new ATOM 219 N GLY A 14 29.277 -19.184 -2.563 1.00 0.00 N ATOM 220 CA GLY A 14 29.068 -20.381 -3.382 1.00 0.00 C ATOM 221 C GLY A 14 28.044 -21.330 -2.759 1.00 0.00 C ATOM 222 O GLY A 14 26.832 -21.142 -2.924 1.00 0.00 O ATOM 0 H GLY A 14 28.927 -18.325 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.731 -20.086 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.016 -20.903 -3.509 1.00 0.00 H new ATOM 226 N GLU A 15 28.540 -22.334 -2.018 1.00 0.00 N ATOM 227 CA GLU A 15 27.702 -23.348 -1.352 1.00 0.00 C ATOM 228 C GLU A 15 27.607 -23.094 0.162 1.00 0.00 C ATOM 229 O GLU A 15 26.582 -23.409 0.784 1.00 0.00 O ATOM 230 CB GLU A 15 28.289 -24.763 -1.616 1.00 0.00 C ATOM 231 CG GLU A 15 28.212 -25.232 -3.084 1.00 0.00 C ATOM 232 CD GLU A 15 26.770 -25.512 -3.552 1.00 0.00 C ATOM 233 OE1 GLU A 15 26.083 -24.584 -4.034 1.00 0.00 O ATOM 234 OE2 GLU A 15 26.309 -26.665 -3.418 1.00 0.00 O ATOM 0 H GLU A 15 29.539 -22.467 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 15 26.695 -23.283 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.332 -24.773 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.760 -25.483 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.655 -24.471 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.809 -26.136 -3.202 1.00 0.00 H new ATOM 241 N GLU A 16 28.682 -22.534 0.753 1.00 0.00 N ATOM 242 CA GLU A 16 28.790 -22.386 2.220 1.00 0.00 C ATOM 243 C GLU A 16 28.062 -21.123 2.698 1.00 0.00 C ATOM 244 O GLU A 16 28.045 -20.103 2.000 1.00 0.00 O ATOM 245 CB GLU A 16 30.277 -22.364 2.684 1.00 0.00 C ATOM 246 CG GLU A 16 31.104 -21.169 2.181 1.00 0.00 C ATOM 247 CD GLU A 16 32.509 -21.115 2.788 1.00 0.00 C ATOM 248 OE1 GLU A 16 33.350 -21.956 2.415 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.774 -20.256 3.660 1.00 0.00 O ATOM 0 H GLU A 16 29.487 -22.177 0.238 1.00 0.00 H new ATOM 0 HA GLU A 16 28.311 -23.255 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.301 -22.368 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.758 -23.284 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.185 -21.222 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.577 -20.245 2.417 1.00 0.00 H new ATOM 256 N SER A 17 27.446 -21.220 3.884 1.00 0.00 N ATOM 257 CA SER A 17 26.782 -20.096 4.545 1.00 0.00 C ATOM 258 C SER A 17 27.840 -19.124 5.080 1.00 0.00 C ATOM 259 O SER A 17 28.598 -19.469 6.000 1.00 0.00 O ATOM 260 CB SER A 17 25.887 -20.618 5.691 1.00 0.00 C ATOM 261 OG SER A 17 25.217 -19.558 6.349 1.00 0.00 O ATOM 0 H SER A 17 27.396 -22.090 4.414 1.00 0.00 H new ATOM 0 HA SER A 17 26.151 -19.568 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.155 -21.320 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.496 -21.166 6.409 1.00 0.00 H new ATOM 0 HG SER A 17 24.658 -19.920 7.067 1.00 0.00 H new ATOM 267 N PHE A 18 27.919 -17.931 4.472 1.00 0.00 N ATOM 268 CA PHE A 18 28.862 -16.893 4.892 1.00 0.00 C ATOM 269 C PHE A 18 28.243 -16.077 6.048 1.00 0.00 C ATOM 270 O PHE A 18 28.806 -16.034 7.145 1.00 0.00 O ATOM 271 CB PHE A 18 29.245 -15.991 3.680 1.00 0.00 C ATOM 272 CG PHE A 18 30.273 -14.902 4.000 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.489 -15.227 4.605 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.020 -13.557 3.718 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.415 -14.246 4.913 1.00 0.00 C ATOM 276 CE2 PHE A 18 30.951 -12.579 4.029 1.00 0.00 C ATOM 277 CZ PHE A 18 32.144 -12.922 4.626 1.00 0.00 C ATOM 0 H PHE A 18 27.334 -17.663 3.681 1.00 0.00 H new ATOM 0 HA PHE A 18 29.782 -17.351 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.639 -16.622 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.341 -15.518 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.710 -16.259 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.087 -13.276 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.351 -14.516 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.741 -11.544 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.867 -12.157 4.869 1.00 0.00 H new ATOM 287 N GLY A 19 27.056 -15.489 5.806 1.00 0.00 N ATOM 288 CA GLY A 19 26.362 -14.682 6.811 1.00 0.00 C ATOM 289 C GLY A 19 25.064 -14.089 6.285 1.00 0.00 C ATOM 290 O GLY A 19 24.298 -14.764 5.592 1.00 0.00 O ATOM 0 H GLY A 19 26.561 -15.562 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.149 -15.299 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.018 -13.877 7.142 1.00 0.00 H new ATOM 294 N GLU A 20 24.843 -12.806 6.597 1.00 0.00 N ATOM 295 CA GLU A 20 23.598 -12.081 6.290 1.00 0.00 C ATOM 296 C GLU A 20 23.917 -10.604 5.996 1.00 0.00 C ATOM 297 O GLU A 20 24.768 -9.999 6.659 1.00 0.00 O ATOM 298 CB GLU A 20 22.620 -12.214 7.496 1.00 0.00 C ATOM 299 CG GLU A 20 23.221 -11.749 8.846 1.00 0.00 C ATOM 300 CD GLU A 20 22.319 -12.029 10.056 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.432 -11.205 10.354 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.499 -13.078 10.712 1.00 0.00 O ATOM 0 H GLU A 20 25.534 -12.230 7.078 1.00 0.00 H new ATOM 0 HA GLU A 20 23.124 -12.508 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.722 -11.631 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.310 -13.255 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.179 -12.246 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.422 -10.679 8.794 1.00 0.00 H new ATOM 309 N SER A 21 23.246 -10.038 4.980 1.00 0.00 N ATOM 310 CA SER A 21 23.398 -8.618 4.606 1.00 0.00 C ATOM 311 C SER A 21 22.806 -7.725 5.722 1.00 0.00 C ATOM 312 O SER A 21 21.757 -8.052 6.285 1.00 0.00 O ATOM 313 CB SER A 21 22.696 -8.355 3.247 1.00 0.00 C ATOM 314 OG SER A 21 22.821 -6.995 2.847 1.00 0.00 O ATOM 0 H SER A 21 22.584 -10.548 4.395 1.00 0.00 H new ATOM 0 HA SER A 21 24.455 -8.376 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.128 -9.001 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 21 21.641 -8.616 3.325 1.00 0.00 H new ATOM 0 HG SER A 21 22.370 -6.864 1.987 1.00 0.00 H new ATOM 320 N ILE A 22 23.492 -6.622 6.057 1.00 0.00 N ATOM 321 CA ILE A 22 23.044 -5.686 7.116 1.00 0.00 C ATOM 322 C ILE A 22 23.047 -4.248 6.568 1.00 0.00 C ATOM 323 O ILE A 22 22.133 -3.463 6.855 1.00 0.00 O ATOM 324 CB ILE A 22 23.925 -5.852 8.435 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.421 -4.969 9.655 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.425 -5.637 8.151 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.957 -3.532 9.743 1.00 0.00 C ATOM 0 H ILE A 22 24.367 -6.349 5.609 1.00 0.00 H new ATOM 0 HA ILE A 22 22.021 -5.924 7.407 1.00 0.00 H new ATOM 0 HB ILE A 22 23.791 -6.887 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.333 -4.923 9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.683 -5.486 10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.991 -5.759 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.765 -6.368 7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.581 -4.632 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.536 -3.040 10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.044 -3.553 9.826 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.672 -2.982 8.846 1.00 0.00 H new ATOM 339 N ASP A 23 24.059 -3.921 5.737 1.00 0.00 N ATOM 340 CA ASP A 23 24.239 -2.557 5.194 1.00 0.00 C ATOM 341 C ASP A 23 25.047 -2.613 3.882 1.00 0.00 C ATOM 342 O ASP A 23 25.640 -3.643 3.566 1.00 0.00 O ATOM 343 CB ASP A 23 24.934 -1.670 6.273 1.00 0.00 C ATOM 344 CG ASP A 23 24.957 -0.168 5.938 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.929 0.516 6.158 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.993 0.337 5.464 1.00 0.00 O ATOM 0 H ASP A 23 24.767 -4.586 5.426 1.00 0.00 H new ATOM 0 HA ASP A 23 23.272 -2.112 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.423 -1.810 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.959 -2.016 6.406 1.00 0.00 H new ATOM 351 N VAL A 24 25.026 -1.518 3.103 1.00 0.00 N ATOM 352 CA VAL A 24 25.863 -1.365 1.891 1.00 0.00 C ATOM 353 C VAL A 24 26.758 -0.115 2.061 1.00 0.00 C ATOM 354 O VAL A 24 26.298 0.932 2.526 1.00 0.00 O ATOM 355 CB VAL A 24 24.983 -1.281 0.579 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.994 -0.082 0.609 1.00 0.00 C ATOM 357 CG2 VAL A 24 25.875 -1.266 -0.692 1.00 0.00 C ATOM 0 H VAL A 24 24.430 -0.712 3.292 1.00 0.00 H new ATOM 0 HA VAL A 24 26.494 -2.246 1.776 1.00 0.00 H new ATOM 0 HB VAL A 24 24.371 -2.182 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.413 -0.067 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.322 -0.186 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.554 0.849 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.244 -1.208 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.538 -0.401 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 24 26.470 -2.178 -0.730 1.00 0.00 H new ATOM 367 N TYR A 25 28.038 -0.245 1.689 1.00 0.00 N ATOM 368 CA TYR A 25 29.066 0.784 1.907 1.00 0.00 C ATOM 369 C TYR A 25 29.938 0.923 0.638 1.00 0.00 C ATOM 370 O TYR A 25 30.822 0.101 0.386 1.00 0.00 O ATOM 371 CB TYR A 25 29.885 0.415 3.196 1.00 0.00 C ATOM 372 CG TYR A 25 31.315 0.963 3.267 1.00 0.00 C ATOM 373 CD1 TYR A 25 31.570 2.333 3.278 1.00 0.00 C ATOM 374 CD2 TYR A 25 32.410 0.094 3.270 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.859 2.812 3.278 1.00 0.00 C ATOM 376 CE2 TYR A 25 33.697 0.574 3.287 1.00 0.00 C ATOM 377 CZ TYR A 25 33.916 1.930 3.282 1.00 0.00 C ATOM 378 OH TYR A 25 35.197 2.412 3.249 1.00 0.00 O ATOM 0 H TYR A 25 28.395 -1.079 1.222 1.00 0.00 H new ATOM 0 HA TYR A 25 28.618 1.763 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.336 0.775 4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 25 29.930 -0.671 3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 25 30.744 3.028 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 25 32.241 -0.973 3.259 1.00 0.00 H new ATOM 0 HE1 TYR A 25 33.042 3.876 3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.532 -0.111 3.304 1.00 0.00 H new ATOM 0 HH TYR A 25 35.829 1.663 3.258 1.00 0.00 H new ATOM 388 N GLY A 26 29.653 1.977 -0.157 1.00 0.00 N ATOM 389 CA GLY A 26 30.457 2.338 -1.330 1.00 0.00 C ATOM 390 C GLY A 26 30.483 1.253 -2.406 1.00 0.00 C ATOM 391 O GLY A 26 29.456 0.951 -3.015 1.00 0.00 O ATOM 0 H GLY A 26 28.859 2.597 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.063 3.258 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.478 2.547 -1.011 1.00 0.00 H new ATOM 395 N ASP A 27 31.673 0.654 -2.613 1.00 0.00 N ATOM 396 CA ASP A 27 31.886 -0.466 -3.568 1.00 0.00 C ATOM 397 C ASP A 27 31.881 -1.817 -2.837 1.00 0.00 C ATOM 398 O ASP A 27 32.396 -2.822 -3.356 1.00 0.00 O ATOM 399 CB ASP A 27 33.231 -0.280 -4.322 1.00 0.00 C ATOM 400 CG ASP A 27 33.245 0.972 -5.214 1.00 0.00 C ATOM 401 OD1 ASP A 27 33.622 2.062 -4.729 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.875 0.868 -6.401 1.00 0.00 O ATOM 0 H ASP A 27 32.523 0.932 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 27 31.067 -0.458 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.042 -0.213 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.423 -1.160 -4.936 1.00 0.00 H new ATOM 407 N TYR A 28 31.272 -1.842 -1.648 1.00 0.00 N ATOM 408 CA TYR A 28 31.253 -3.012 -0.757 1.00 0.00 C ATOM 409 C TYR A 28 29.839 -3.217 -0.199 1.00 0.00 C ATOM 410 O TYR A 28 29.000 -2.313 -0.241 1.00 0.00 O ATOM 411 CB TYR A 28 32.271 -2.826 0.409 1.00 0.00 C ATOM 412 CG TYR A 28 33.724 -2.624 -0.056 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.544 -3.718 -0.344 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.257 -1.345 -0.251 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.832 -3.547 -0.795 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.549 -1.173 -0.714 1.00 0.00 C ATOM 417 CZ TYR A 28 36.329 -2.279 -0.984 1.00 0.00 C ATOM 418 OH TYR A 28 37.610 -2.117 -1.459 1.00 0.00 O ATOM 0 H TYR A 28 30.770 -1.039 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 28 31.542 -3.894 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.969 -1.967 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.226 -3.699 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.159 -4.718 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.650 -0.478 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.452 -4.407 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.945 -0.179 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 28 37.811 -1.161 -1.538 1.00 0.00 H new ATOM 428 N LEU A 29 29.604 -4.425 0.309 1.00 0.00 N ATOM 429 CA LEU A 29 28.360 -4.830 0.966 1.00 0.00 C ATOM 430 C LEU A 29 28.734 -5.332 2.366 1.00 0.00 C ATOM 431 O LEU A 29 29.453 -6.334 2.491 1.00 0.00 O ATOM 432 CB LEU A 29 27.644 -5.952 0.151 1.00 0.00 C ATOM 433 CG LEU A 29 26.278 -6.458 0.729 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.209 -5.336 0.736 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.779 -7.713 -0.034 1.00 0.00 C ATOM 0 H LEU A 29 30.296 -5.174 0.274 1.00 0.00 H new ATOM 0 HA LEU A 29 27.668 -3.991 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.474 -5.585 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.320 -6.804 0.072 1.00 0.00 H new ATOM 0 HG LEU A 29 26.447 -6.746 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.276 -5.725 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.556 -4.507 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.042 -4.986 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 29 24.830 -8.042 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.642 -7.468 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.514 -8.512 0.060 1.00 0.00 H new ATOM 447 N ILE A 30 28.304 -4.593 3.402 1.00 0.00 N ATOM 448 CA ILE A 30 28.559 -4.958 4.802 1.00 0.00 C ATOM 449 C ILE A 30 27.710 -6.198 5.141 1.00 0.00 C ATOM 450 O ILE A 30 26.475 -6.118 5.217 1.00 0.00 O ATOM 451 CB ILE A 30 28.218 -3.779 5.799 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.866 -2.435 5.338 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.663 -4.128 7.239 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.384 -2.426 5.366 1.00 0.00 C ATOM 0 H ILE A 30 27.772 -3.730 3.292 1.00 0.00 H new ATOM 0 HA ILE A 30 29.622 -5.172 4.918 1.00 0.00 H new ATOM 0 HB ILE A 30 27.136 -3.649 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.533 -2.214 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.499 -1.631 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.418 -3.302 7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.146 -5.028 7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.739 -4.300 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.748 -1.455 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.730 -2.612 6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.765 -3.204 4.705 1.00 0.00 H new ATOM 466 N VAL A 31 28.384 -7.351 5.259 1.00 0.00 N ATOM 467 CA VAL A 31 27.752 -8.627 5.609 1.00 0.00 C ATOM 468 C VAL A 31 28.155 -9.008 7.040 1.00 0.00 C ATOM 469 O VAL A 31 29.341 -9.198 7.332 1.00 0.00 O ATOM 470 CB VAL A 31 28.165 -9.768 4.606 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.493 -11.116 4.971 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.856 -9.359 3.141 1.00 0.00 C ATOM 0 H VAL A 31 29.391 -7.423 5.113 1.00 0.00 H new ATOM 0 HA VAL A 31 26.670 -8.511 5.545 1.00 0.00 H new ATOM 0 HB VAL A 31 29.242 -9.911 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.800 -11.881 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.796 -11.413 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.409 -11.003 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.151 -10.165 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.788 -9.169 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.412 -8.456 2.890 1.00 0.00 H new ATOM 482 N LYS A 32 27.152 -9.096 7.923 1.00 0.00 N ATOM 483 CA LYS A 32 27.342 -9.531 9.309 1.00 0.00 C ATOM 484 C LYS A 32 27.516 -11.060 9.286 1.00 0.00 C ATOM 485 O LYS A 32 26.604 -11.776 8.870 1.00 0.00 O ATOM 486 CB LYS A 32 26.113 -9.096 10.184 1.00 0.00 C ATOM 487 CG LYS A 32 26.329 -9.098 11.731 1.00 0.00 C ATOM 488 CD LYS A 32 26.565 -10.499 12.351 1.00 0.00 C ATOM 489 CE LYS A 32 26.690 -10.464 13.879 1.00 0.00 C ATOM 490 NZ LYS A 32 25.418 -10.081 14.532 1.00 0.00 N ATOM 0 H LYS A 32 26.185 -8.867 7.694 1.00 0.00 H new ATOM 0 HA LYS A 32 28.223 -9.069 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.816 -8.092 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.278 -9.758 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.184 -8.463 11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.458 -8.648 12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 32 25.741 -11.156 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.472 -10.930 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.002 -11.444 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.470 -9.757 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.507 -10.200 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.202 -9.087 14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.650 -10.686 14.178 1.00 0.00 H new ATOM 504 N VAL A 33 28.704 -11.552 9.689 1.00 0.00 N ATOM 505 CA VAL A 33 28.988 -12.998 9.796 1.00 0.00 C ATOM 506 C VAL A 33 29.441 -13.305 11.240 1.00 0.00 C ATOM 507 O VAL A 33 30.391 -12.696 11.746 1.00 0.00 O ATOM 508 CB VAL A 33 30.050 -13.482 8.710 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.676 -12.933 7.319 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.511 -13.117 9.044 1.00 0.00 C ATOM 0 H VAL A 33 29.493 -10.960 9.949 1.00 0.00 H new ATOM 0 HA VAL A 33 28.080 -13.562 9.581 1.00 0.00 H new ATOM 0 HB VAL A 33 30.003 -14.571 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.409 -13.270 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.688 -13.297 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.667 -11.843 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.167 -13.483 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.607 -12.034 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.793 -13.576 9.992 1.00 0.00 H new ATOM 520 N GLY A 34 28.701 -14.199 11.920 1.00 0.00 N ATOM 521 CA GLY A 34 29.028 -14.625 13.286 1.00 0.00 C ATOM 522 C GLY A 34 28.950 -13.492 14.314 1.00 0.00 C ATOM 523 O GLY A 34 27.917 -13.284 14.943 1.00 0.00 O ATOM 0 H GLY A 34 27.865 -14.642 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.346 -15.422 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.033 -15.046 13.296 1.00 0.00 H new ATOM 527 N THR A 35 30.066 -12.757 14.465 1.00 0.00 N ATOM 528 CA THR A 35 30.217 -11.645 15.427 1.00 0.00 C ATOM 529 C THR A 35 30.651 -10.347 14.699 1.00 0.00 C ATOM 530 O THR A 35 30.332 -9.238 15.145 1.00 0.00 O ATOM 531 CB THR A 35 31.275 -12.015 16.532 1.00 0.00 C ATOM 532 OG1 THR A 35 31.027 -13.348 17.005 1.00 0.00 O ATOM 533 CG2 THR A 35 31.237 -11.046 17.733 1.00 0.00 C ATOM 0 H THR A 35 30.907 -12.921 13.911 1.00 0.00 H new ATOM 0 HA THR A 35 29.251 -11.474 15.902 1.00 0.00 H new ATOM 0 HB THR A 35 32.261 -11.941 16.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 31.687 -13.579 17.692 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.986 -11.346 18.466 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.450 -10.033 17.390 1.00 0.00 H new ATOM 0 HG23 THR A 35 30.249 -11.074 18.192 1.00 0.00 H new ATOM 541 N GLU A 36 31.321 -10.499 13.538 1.00 0.00 N ATOM 542 CA GLU A 36 32.036 -9.395 12.853 1.00 0.00 C ATOM 543 C GLU A 36 31.276 -8.935 11.590 1.00 0.00 C ATOM 544 O GLU A 36 30.390 -9.636 11.098 1.00 0.00 O ATOM 545 CB GLU A 36 33.467 -9.870 12.438 1.00 0.00 C ATOM 546 CG GLU A 36 34.340 -10.447 13.574 1.00 0.00 C ATOM 547 CD GLU A 36 34.522 -9.495 14.769 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.085 -8.392 14.590 1.00 0.00 O ATOM 549 OE2 GLU A 36 34.107 -9.850 15.892 1.00 0.00 O ATOM 0 H GLU A 36 31.383 -11.390 13.046 1.00 0.00 H new ATOM 0 HA GLU A 36 32.102 -8.557 13.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.366 -10.629 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.994 -9.026 11.993 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.891 -11.375 13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 35.321 -10.700 13.172 1.00 0.00 H new ATOM 556 N PHE A 37 31.641 -7.742 11.091 1.00 0.00 N ATOM 557 CA PHE A 37 31.081 -7.153 9.862 1.00 0.00 C ATOM 558 C PHE A 37 32.171 -7.141 8.778 1.00 0.00 C ATOM 559 O PHE A 37 33.144 -6.382 8.869 1.00 0.00 O ATOM 560 CB PHE A 37 30.569 -5.713 10.139 1.00 0.00 C ATOM 561 CG PHE A 37 29.392 -5.642 11.116 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.581 -5.790 12.491 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.092 -5.434 10.659 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.513 -5.736 13.368 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.027 -5.378 11.538 1.00 0.00 C ATOM 566 CZ PHE A 37 27.237 -5.527 12.887 1.00 0.00 C ATOM 0 H PHE A 37 32.343 -7.151 11.536 1.00 0.00 H new ATOM 0 HA PHE A 37 30.235 -7.749 9.520 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.391 -5.117 10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.271 -5.258 9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.577 -5.949 12.876 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.914 -5.315 9.601 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.678 -5.857 14.428 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.027 -5.217 11.163 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.403 -5.481 13.572 1.00 0.00 H new ATOM 576 N LEU A 38 32.000 -8.006 7.769 1.00 0.00 N ATOM 577 CA LEU A 38 32.939 -8.180 6.651 1.00 0.00 C ATOM 578 C LEU A 38 32.341 -7.536 5.399 1.00 0.00 C ATOM 579 O LEU A 38 31.321 -8.009 4.873 1.00 0.00 O ATOM 580 CB LEU A 38 33.219 -9.698 6.399 1.00 0.00 C ATOM 581 CG LEU A 38 34.240 -10.395 7.351 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.631 -9.776 7.208 1.00 0.00 C ATOM 583 CD2 LEU A 38 33.788 -10.377 8.824 1.00 0.00 C ATOM 0 H LEU A 38 31.187 -8.618 7.705 1.00 0.00 H new ATOM 0 HA LEU A 38 33.886 -7.700 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.272 -10.233 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.577 -9.812 5.376 1.00 0.00 H new ATOM 0 HG LEU A 38 34.286 -11.440 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.324 -10.279 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.976 -9.890 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.585 -8.716 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.536 -10.875 9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.673 -9.345 9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.835 -10.898 8.919 1.00 0.00 H new ATOM 595 N ALA A 39 32.970 -6.446 4.952 1.00 0.00 N ATOM 596 CA ALA A 39 32.546 -5.707 3.766 1.00 0.00 C ATOM 597 C ALA A 39 33.102 -6.373 2.499 1.00 0.00 C ATOM 598 O ALA A 39 34.254 -6.132 2.114 1.00 0.00 O ATOM 599 CB ALA A 39 33.002 -4.249 3.885 1.00 0.00 C ATOM 0 H ALA A 39 33.793 -6.051 5.408 1.00 0.00 H new ATOM 0 HA ALA A 39 31.459 -5.720 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.686 -3.696 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.556 -3.800 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.088 -4.213 3.967 1.00 0.00 H new ATOM 605 N VAL A 40 32.287 -7.242 1.880 1.00 0.00 N ATOM 606 CA VAL A 40 32.664 -7.950 0.644 1.00 0.00 C ATOM 607 C VAL A 40 32.438 -7.027 -0.572 1.00 0.00 C ATOM 608 O VAL A 40 31.375 -6.413 -0.679 1.00 0.00 O ATOM 609 CB VAL A 40 31.872 -9.314 0.477 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.215 -10.282 1.631 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.335 -9.096 0.366 1.00 0.00 C ATOM 0 H VAL A 40 31.353 -7.473 2.219 1.00 0.00 H new ATOM 0 HA VAL A 40 33.721 -8.206 0.708 1.00 0.00 H new ATOM 0 HB VAL A 40 32.192 -9.763 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.663 -11.213 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.285 -10.491 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.939 -9.826 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.838 -10.060 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.971 -8.604 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.118 -8.472 -0.501 1.00 0.00 H new ATOM 621 N PRO A 41 33.437 -6.887 -1.504 1.00 0.00 N ATOM 622 CA PRO A 41 33.284 -6.030 -2.709 1.00 0.00 C ATOM 623 C PRO A 41 32.119 -6.505 -3.603 1.00 0.00 C ATOM 624 O PRO A 41 31.761 -7.682 -3.578 1.00 0.00 O ATOM 625 CB PRO A 41 34.665 -6.153 -3.418 1.00 0.00 C ATOM 626 CG PRO A 41 35.240 -7.441 -2.903 1.00 0.00 C ATOM 627 CD PRO A 41 34.774 -7.540 -1.466 1.00 0.00 C ATOM 0 HA PRO A 41 33.032 -4.997 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.554 -6.174 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.310 -5.307 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.890 -8.290 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.328 -7.438 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.708 -8.576 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.454 -7.029 -0.785 1.00 0.00 H new ATOM 635 N LYS A 42 31.530 -5.575 -4.371 1.00 0.00 N ATOM 636 CA LYS A 42 30.378 -5.856 -5.263 1.00 0.00 C ATOM 637 C LYS A 42 30.756 -6.859 -6.372 1.00 0.00 C ATOM 638 O LYS A 42 29.903 -7.595 -6.867 1.00 0.00 O ATOM 639 CB LYS A 42 29.835 -4.531 -5.869 1.00 0.00 C ATOM 640 CG LYS A 42 29.387 -3.483 -4.820 1.00 0.00 C ATOM 641 CD LYS A 42 28.237 -3.967 -3.899 1.00 0.00 C ATOM 642 CE LYS A 42 26.926 -4.243 -4.660 1.00 0.00 C ATOM 643 NZ LYS A 42 26.463 -3.048 -5.412 1.00 0.00 N ATOM 0 H LYS A 42 31.835 -4.602 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 42 29.589 -6.315 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.608 -4.090 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.990 -4.762 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.244 -3.212 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.068 -2.578 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.550 -4.876 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.053 -3.215 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.075 -5.073 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.154 -4.550 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.508 -3.221 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.443 -2.224 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.114 -2.861 -6.201 1.00 0.00 H new ATOM 657 N LYS A 43 32.056 -6.876 -6.728 1.00 0.00 N ATOM 658 CA LYS A 43 32.626 -7.827 -7.708 1.00 0.00 C ATOM 659 C LYS A 43 32.614 -9.280 -7.173 1.00 0.00 C ATOM 660 O LYS A 43 32.679 -10.233 -7.962 1.00 0.00 O ATOM 661 CB LYS A 43 34.070 -7.393 -8.073 1.00 0.00 C ATOM 662 CG LYS A 43 35.080 -7.490 -6.903 1.00 0.00 C ATOM 663 CD LYS A 43 36.440 -6.819 -7.200 1.00 0.00 C ATOM 664 CE LYS A 43 37.173 -7.428 -8.406 1.00 0.00 C ATOM 665 NZ LYS A 43 38.499 -6.796 -8.612 1.00 0.00 N ATOM 0 H LYS A 43 32.744 -6.229 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 43 32.003 -7.809 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.426 -8.012 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 43 34.048 -6.365 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.643 -7.028 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.247 -8.540 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.280 -5.756 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.077 -6.900 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.299 -8.500 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.566 -7.303 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.967 -7.230 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.375 -5.777 -8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.086 -6.937 -7.765 1.00 0.00 H new ATOM 679 N SER A 44 32.546 -9.438 -5.833 1.00 0.00 N ATOM 680 CA SER A 44 32.423 -10.755 -5.192 1.00 0.00 C ATOM 681 C SER A 44 31.023 -11.323 -5.472 1.00 0.00 C ATOM 682 O SER A 44 30.898 -12.502 -5.826 1.00 0.00 O ATOM 683 CB SER A 44 32.692 -10.669 -3.667 1.00 0.00 C ATOM 684 OG SER A 44 32.752 -11.959 -3.066 1.00 0.00 O ATOM 0 H SER A 44 32.575 -8.660 -5.174 1.00 0.00 H new ATOM 0 HA SER A 44 33.175 -11.424 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.631 -10.143 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.905 -10.083 -3.192 1.00 0.00 H new ATOM 0 HG SER A 44 32.924 -11.865 -2.106 1.00 0.00 H new ATOM 690 N ILE A 45 29.980 -10.452 -5.356 1.00 0.00 N ATOM 691 CA ILE A 45 28.577 -10.853 -5.588 1.00 0.00 C ATOM 692 C ILE A 45 28.439 -11.344 -7.047 1.00 0.00 C ATOM 693 O ILE A 45 28.624 -10.572 -7.994 1.00 0.00 O ATOM 694 CB ILE A 45 27.519 -9.690 -5.294 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.460 -9.279 -3.768 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.099 -10.099 -5.794 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.685 -8.569 -3.205 1.00 0.00 C ATOM 0 H ILE A 45 30.093 -9.470 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 45 28.344 -11.650 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 45 27.862 -8.815 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.595 -8.632 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.288 -10.180 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.394 -9.295 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.131 -10.284 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.779 -11.005 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.521 -8.340 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.558 -9.215 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.854 -7.643 -3.755 1.00 0.00 H new ATOM 709 N LYS A 46 28.155 -12.644 -7.193 1.00 0.00 N ATOM 710 CA LYS A 46 27.963 -13.295 -8.487 1.00 0.00 C ATOM 711 C LYS A 46 26.550 -12.988 -9.009 1.00 0.00 C ATOM 712 O LYS A 46 26.386 -12.396 -10.081 1.00 0.00 O ATOM 713 CB LYS A 46 28.187 -14.825 -8.352 1.00 0.00 C ATOM 714 CG LYS A 46 29.610 -15.235 -7.906 1.00 0.00 C ATOM 715 CD LYS A 46 30.702 -14.683 -8.857 1.00 0.00 C ATOM 716 CE LYS A 46 32.093 -15.258 -8.573 1.00 0.00 C ATOM 717 NZ LYS A 46 32.123 -16.727 -8.784 1.00 0.00 N ATOM 0 H LYS A 46 28.051 -13.279 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 46 28.690 -12.910 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.468 -15.221 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 46 27.972 -15.296 -9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 46 29.792 -14.869 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 46 29.678 -16.322 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.426 -14.908 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.739 -13.597 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.826 -14.780 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.380 -15.030 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 33.110 -17.048 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.659 -17.202 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.621 -16.962 -9.664 1.00 0.00 H new ATOM 731 N SER A 47 25.533 -13.373 -8.213 1.00 0.00 N ATOM 732 CA SER A 47 24.116 -13.169 -8.554 1.00 0.00 C ATOM 733 C SER A 47 23.257 -13.104 -7.281 1.00 0.00 C ATOM 734 O SER A 47 23.639 -13.612 -6.218 1.00 0.00 O ATOM 735 CB SER A 47 23.598 -14.297 -9.484 1.00 0.00 C ATOM 736 OG SER A 47 24.264 -14.296 -10.737 1.00 0.00 O ATOM 0 H SER A 47 25.674 -13.835 -7.315 1.00 0.00 H new ATOM 0 HA SER A 47 24.035 -12.220 -9.084 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.740 -15.262 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.527 -14.174 -9.642 1.00 0.00 H new ATOM 0 HG SER A 47 23.912 -15.021 -11.295 1.00 0.00 H new ATOM 742 N VAL A 48 22.097 -12.458 -7.424 1.00 0.00 N ATOM 743 CA VAL A 48 21.073 -12.367 -6.380 1.00 0.00 C ATOM 744 C VAL A 48 20.058 -13.510 -6.578 1.00 0.00 C ATOM 745 O VAL A 48 19.333 -13.531 -7.585 1.00 0.00 O ATOM 746 CB VAL A 48 20.342 -10.972 -6.433 1.00 0.00 C ATOM 747 CG1 VAL A 48 19.207 -10.877 -5.376 1.00 0.00 C ATOM 748 CG2 VAL A 48 21.366 -9.811 -6.280 1.00 0.00 C ATOM 0 H VAL A 48 21.838 -11.975 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 48 21.546 -12.458 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 48 19.870 -10.878 -7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 48 18.727 -9.901 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 48 18.470 -11.658 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.627 -11.006 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.842 -8.856 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 48 21.881 -9.903 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 22.094 -9.859 -7.090 1.00 0.00 H new ATOM 758 N GLU A 49 20.049 -14.469 -5.642 1.00 0.00 N ATOM 759 CA GLU A 49 19.085 -15.585 -5.634 1.00 0.00 C ATOM 760 C GLU A 49 17.804 -15.148 -4.899 1.00 0.00 C ATOM 761 O GLU A 49 17.804 -14.119 -4.207 1.00 0.00 O ATOM 762 CB GLU A 49 19.696 -16.827 -4.919 1.00 0.00 C ATOM 763 CG GLU A 49 21.155 -17.165 -5.286 1.00 0.00 C ATOM 764 CD GLU A 49 21.406 -17.321 -6.795 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.069 -18.380 -7.362 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.958 -16.389 -7.421 1.00 0.00 O ATOM 0 H GLU A 49 20.710 -14.495 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 49 18.848 -15.854 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.640 -16.666 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.075 -17.694 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.806 -16.380 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.439 -18.090 -4.784 1.00 0.00 H new ATOM 773 N ASP A 50 16.727 -15.937 -5.023 1.00 0.00 N ATOM 774 CA ASP A 50 15.471 -15.661 -4.308 1.00 0.00 C ATOM 775 C ASP A 50 15.672 -15.895 -2.796 1.00 0.00 C ATOM 776 O ASP A 50 15.592 -17.034 -2.316 1.00 0.00 O ATOM 777 CB ASP A 50 14.318 -16.538 -4.858 1.00 0.00 C ATOM 778 CG ASP A 50 14.012 -16.266 -6.341 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.672 -16.872 -7.214 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.104 -15.456 -6.644 1.00 0.00 O ATOM 0 H ASP A 50 16.700 -16.770 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 50 15.195 -14.619 -4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.577 -17.589 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.419 -16.359 -4.268 1.00 0.00 H new ATOM 785 N GLY A 51 16.001 -14.806 -2.078 1.00 0.00 N ATOM 786 CA GLY A 51 16.220 -14.830 -0.626 1.00 0.00 C ATOM 787 C GLY A 51 17.688 -14.953 -0.225 1.00 0.00 C ATOM 788 O GLY A 51 18.013 -14.838 0.964 1.00 0.00 O ATOM 0 H GLY A 51 16.122 -13.882 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.810 -13.919 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.665 -15.665 -0.198 1.00 0.00 H new ATOM 792 N ARG A 52 18.584 -15.165 -1.215 1.00 0.00 N ATOM 793 CA ARG A 52 20.031 -15.376 -0.964 1.00 0.00 C ATOM 794 C ARG A 52 20.884 -14.439 -1.839 1.00 0.00 C ATOM 795 O ARG A 52 20.422 -13.935 -2.860 1.00 0.00 O ATOM 796 CB ARG A 52 20.438 -16.852 -1.246 1.00 0.00 C ATOM 797 CG ARG A 52 19.726 -17.916 -0.381 1.00 0.00 C ATOM 798 CD ARG A 52 20.194 -19.349 -0.708 1.00 0.00 C ATOM 799 NE ARG A 52 19.915 -19.726 -2.112 1.00 0.00 N ATOM 800 CZ ARG A 52 20.765 -20.350 -2.937 1.00 0.00 C ATOM 801 NH1 ARG A 52 22.017 -20.600 -2.576 1.00 0.00 N ATOM 802 NH2 ARG A 52 20.352 -20.709 -4.132 1.00 0.00 N ATOM 0 H ARG A 52 18.330 -15.195 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 52 20.214 -15.150 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.240 -17.071 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.513 -16.949 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.912 -17.708 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.649 -17.844 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.264 -19.431 -0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.697 -20.052 -0.040 1.00 0.00 H new ATOM 0 HE ARG A 52 18.995 -19.490 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 52 22.348 -20.316 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.648 -21.077 -3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.394 -20.511 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.990 -21.185 -4.770 1.00 0.00 H new ATOM 816 N ILE A 53 22.138 -14.223 -1.400 1.00 0.00 N ATOM 817 CA ILE A 53 23.165 -13.481 -2.156 1.00 0.00 C ATOM 818 C ILE A 53 24.394 -14.394 -2.312 1.00 0.00 C ATOM 819 O ILE A 53 25.125 -14.616 -1.341 1.00 0.00 O ATOM 820 CB ILE A 53 23.597 -12.142 -1.419 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.381 -11.183 -1.189 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.739 -11.411 -2.184 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.725 -10.661 -2.458 1.00 0.00 C ATOM 0 H ILE A 53 22.471 -14.563 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 53 22.751 -13.201 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 53 23.979 -12.431 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.630 -11.708 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.715 -10.333 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.009 -10.499 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.609 -12.064 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.400 -11.157 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.894 -10.006 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.456 -10.103 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.354 -11.500 -3.047 1.00 0.00 H new ATOM 835 N VAL A 54 24.598 -14.959 -3.517 1.00 0.00 N ATOM 836 CA VAL A 54 25.806 -15.752 -3.805 1.00 0.00 C ATOM 837 C VAL A 54 26.972 -14.801 -4.109 1.00 0.00 C ATOM 838 O VAL A 54 26.894 -13.996 -5.034 1.00 0.00 O ATOM 839 CB VAL A 54 25.602 -16.784 -4.983 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.946 -17.451 -5.409 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.560 -17.861 -4.578 1.00 0.00 C ATOM 0 H VAL A 54 23.948 -14.882 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 54 26.030 -16.348 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 54 25.226 -16.234 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.762 -18.154 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.643 -16.683 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.374 -17.983 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.428 -18.566 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.912 -18.394 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.607 -17.380 -4.356 1.00 0.00 H new ATOM 851 N ILE A 55 28.022 -14.879 -3.278 1.00 0.00 N ATOM 852 CA ILE A 55 29.289 -14.169 -3.491 1.00 0.00 C ATOM 853 C ILE A 55 30.381 -15.181 -3.880 1.00 0.00 C ATOM 854 O ILE A 55 30.154 -16.399 -3.853 1.00 0.00 O ATOM 855 CB ILE A 55 29.738 -13.333 -2.225 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.045 -14.257 -1.000 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.679 -12.260 -1.859 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.667 -13.553 0.197 1.00 0.00 C ATOM 0 H ILE A 55 28.014 -15.444 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 55 29.137 -13.454 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 55 30.663 -12.820 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.117 -14.732 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.716 -15.053 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.014 -11.701 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.548 -11.577 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.730 -12.747 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.842 -14.276 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.614 -13.102 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.991 -12.776 0.554 1.00 0.00 H new ATOM 870 N GLY A 56 31.568 -14.666 -4.227 1.00 0.00 N ATOM 871 CA GLY A 56 32.652 -15.482 -4.752 1.00 0.00 C ATOM 872 C GLY A 56 33.983 -15.136 -4.118 1.00 0.00 C ATOM 873 O GLY A 56 34.329 -15.692 -3.080 1.00 0.00 O ATOM 0 H GLY A 56 31.796 -13.675 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.430 -16.535 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.718 -15.345 -5.831 1.00 0.00 H new ATOM 877 N GLU A 57 34.717 -14.184 -4.720 1.00 0.00 N ATOM 878 CA GLU A 57 36.125 -13.913 -4.362 1.00 0.00 C ATOM 879 C GLU A 57 36.277 -12.585 -3.591 1.00 0.00 C ATOM 880 O GLU A 57 35.742 -11.547 -3.996 1.00 0.00 O ATOM 881 CB GLU A 57 37.004 -13.916 -5.643 1.00 0.00 C ATOM 882 CG GLU A 57 36.546 -12.930 -6.739 1.00 0.00 C ATOM 883 CD GLU A 57 37.442 -12.958 -7.985 1.00 0.00 C ATOM 884 OE1 GLU A 57 38.471 -12.255 -8.009 1.00 0.00 O ATOM 885 OE2 GLU A 57 37.127 -13.697 -8.945 1.00 0.00 O ATOM 0 H GLU A 57 34.357 -13.584 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 57 36.464 -14.706 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.030 -13.678 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.013 -14.923 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 57 35.523 -13.168 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 57 36.535 -11.920 -6.329 1.00 0.00 H new ATOM 892 N PHE A 58 36.993 -12.660 -2.462 1.00 0.00 N ATOM 893 CA PHE A 58 37.352 -11.500 -1.629 1.00 0.00 C ATOM 894 C PHE A 58 38.486 -11.912 -0.666 1.00 0.00 C ATOM 895 O PHE A 58 38.985 -13.045 -0.735 1.00 0.00 O ATOM 896 CB PHE A 58 36.107 -10.956 -0.851 1.00 0.00 C ATOM 897 CG PHE A 58 35.581 -11.866 0.265 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.806 -12.992 -0.018 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.881 -11.593 1.603 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.357 -13.814 1.003 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.431 -12.409 2.615 1.00 0.00 C ATOM 902 CZ PHE A 58 34.672 -13.522 2.314 1.00 0.00 C ATOM 0 H PHE A 58 37.346 -13.543 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 58 37.702 -10.688 -2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.364 -9.989 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.302 -10.781 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.554 -13.225 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.477 -10.726 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.760 -14.684 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.671 -12.179 3.643 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.324 -14.166 3.108 1.00 0.00 H new ATOM 912 N ASP A 59 38.885 -10.990 0.220 1.00 0.00 N ATOM 913 CA ASP A 59 39.851 -11.264 1.300 1.00 0.00 C ATOM 914 C ASP A 59 39.231 -10.776 2.619 1.00 0.00 C ATOM 915 O ASP A 59 38.874 -9.604 2.721 1.00 0.00 O ATOM 916 CB ASP A 59 41.206 -10.558 1.022 1.00 0.00 C ATOM 917 CG ASP A 59 42.324 -10.964 2.005 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.308 -10.516 3.172 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.212 -11.753 1.624 1.00 0.00 O ATOM 0 H ASP A 59 38.547 -10.028 0.210 1.00 0.00 H new ATOM 0 HA ASP A 59 40.058 -12.332 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.525 -10.789 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.062 -9.479 1.074 1.00 0.00 H new ATOM 924 N GLU A 60 39.096 -11.684 3.613 1.00 0.00 N ATOM 925 CA GLU A 60 38.397 -11.383 4.884 1.00 0.00 C ATOM 926 C GLU A 60 39.201 -10.414 5.773 1.00 0.00 C ATOM 927 O GLU A 60 38.614 -9.630 6.506 1.00 0.00 O ATOM 928 CB GLU A 60 38.075 -12.673 5.682 1.00 0.00 C ATOM 929 CG GLU A 60 39.312 -13.454 6.162 1.00 0.00 C ATOM 930 CD GLU A 60 38.966 -14.584 7.128 1.00 0.00 C ATOM 931 OE1 GLU A 60 38.929 -14.336 8.357 1.00 0.00 O ATOM 932 OE2 GLU A 60 38.698 -15.713 6.670 1.00 0.00 O ATOM 0 H GLU A 60 39.463 -12.634 3.559 1.00 0.00 H new ATOM 0 HA GLU A 60 37.461 -10.899 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.470 -12.407 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.467 -13.328 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.831 -13.868 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.003 -12.766 6.649 1.00 0.00 H new ATOM 939 N GLU A 61 40.541 -10.490 5.714 1.00 0.00 N ATOM 940 CA GLU A 61 41.420 -9.621 6.522 1.00 0.00 C ATOM 941 C GLU A 61 41.377 -8.184 5.976 1.00 0.00 C ATOM 942 O GLU A 61 41.417 -7.211 6.746 1.00 0.00 O ATOM 943 CB GLU A 61 42.863 -10.191 6.557 1.00 0.00 C ATOM 944 CG GLU A 61 42.959 -11.581 7.219 1.00 0.00 C ATOM 945 CD GLU A 61 44.372 -12.183 7.152 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.196 -11.927 8.061 1.00 0.00 O ATOM 947 OE2 GLU A 61 44.675 -12.902 6.176 1.00 0.00 O ATOM 0 H GLU A 61 41.042 -11.145 5.114 1.00 0.00 H new ATOM 0 HA GLU A 61 41.061 -9.596 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.245 -10.255 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.507 -9.496 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 61 42.653 -11.502 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.258 -12.259 6.731 1.00 0.00 H new ATOM 954 N GLU A 62 41.247 -8.060 4.645 1.00 0.00 N ATOM 955 CA GLU A 62 41.020 -6.767 3.996 1.00 0.00 C ATOM 956 C GLU A 62 39.580 -6.276 4.264 1.00 0.00 C ATOM 957 O GLU A 62 39.365 -5.092 4.527 1.00 0.00 O ATOM 958 CB GLU A 62 41.325 -6.830 2.480 1.00 0.00 C ATOM 959 CG GLU A 62 42.798 -7.171 2.150 1.00 0.00 C ATOM 960 CD GLU A 62 43.133 -7.001 0.659 1.00 0.00 C ATOM 961 OE1 GLU A 62 42.813 -7.899 -0.140 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.698 -5.950 0.273 1.00 0.00 O ATOM 0 H GLU A 62 41.296 -8.847 3.998 1.00 0.00 H new ATOM 0 HA GLU A 62 41.712 -6.044 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.678 -7.577 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.075 -5.870 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.454 -6.531 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.003 -8.199 2.448 1.00 0.00 H new ATOM 969 N ALA A 63 38.606 -7.205 4.254 1.00 0.00 N ATOM 970 CA ALA A 63 37.181 -6.875 4.447 1.00 0.00 C ATOM 971 C ALA A 63 36.889 -6.437 5.902 1.00 0.00 C ATOM 972 O ALA A 63 35.942 -5.683 6.134 1.00 0.00 O ATOM 973 CB ALA A 63 36.289 -8.066 4.034 1.00 0.00 C ATOM 0 H ALA A 63 38.783 -8.200 4.113 1.00 0.00 H new ATOM 0 HA ALA A 63 36.944 -6.029 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.241 -7.805 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.459 -8.300 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.537 -8.935 4.644 1.00 0.00 H new ATOM 979 N ARG A 64 37.691 -6.947 6.875 1.00 0.00 N ATOM 980 CA ARG A 64 37.556 -6.583 8.310 1.00 0.00 C ATOM 981 C ARG A 64 38.188 -5.207 8.621 1.00 0.00 C ATOM 982 O ARG A 64 37.682 -4.483 9.477 1.00 0.00 O ATOM 983 CB ARG A 64 38.153 -7.671 9.260 1.00 0.00 C ATOM 984 CG ARG A 64 39.696 -7.745 9.278 1.00 0.00 C ATOM 985 CD ARG A 64 40.272 -8.693 10.341 1.00 0.00 C ATOM 986 NE ARG A 64 39.926 -10.112 10.109 1.00 0.00 N ATOM 987 CZ ARG A 64 40.676 -11.162 10.499 1.00 0.00 C ATOM 988 NH1 ARG A 64 41.876 -10.982 11.038 1.00 0.00 N ATOM 989 NH2 ARG A 64 40.229 -12.390 10.335 1.00 0.00 N ATOM 0 H ARG A 64 38.440 -7.614 6.689 1.00 0.00 H new ATOM 0 HA ARG A 64 36.484 -6.521 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.801 -7.479 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.761 -8.644 8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 64 40.044 -8.065 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.094 -6.744 9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 64 41.357 -8.589 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.905 -8.393 11.323 1.00 0.00 H new ATOM 0 HE ARG A 64 39.055 -10.311 9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 64 42.243 -10.038 11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 64 42.431 -11.787 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 64 39.314 -12.548 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.798 -13.183 10.631 1.00 0.00 H new ATOM 1003 N GLU A 65 39.324 -4.872 7.953 1.00 0.00 N ATOM 1004 CA GLU A 65 40.038 -3.584 8.192 1.00 0.00 C ATOM 1005 C GLU A 65 39.275 -2.404 7.548 1.00 0.00 C ATOM 1006 O GLU A 65 39.129 -1.337 8.155 1.00 0.00 O ATOM 1007 CB GLU A 65 41.516 -3.636 7.689 1.00 0.00 C ATOM 1008 CG GLU A 65 41.668 -3.955 6.194 1.00 0.00 C ATOM 1009 CD GLU A 65 43.115 -4.090 5.693 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.667 -5.211 5.714 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.702 -3.079 5.265 1.00 0.00 O ATOM 0 H GLU A 65 39.763 -5.468 7.251 1.00 0.00 H new ATOM 0 HA GLU A 65 40.069 -3.424 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.990 -2.676 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.057 -4.387 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.140 -4.885 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.174 -3.171 5.620 1.00 0.00 H new ATOM 1018 N LEU A 66 38.762 -2.600 6.323 1.00 0.00 N ATOM 1019 CA LEU A 66 37.937 -1.576 5.652 1.00 0.00 C ATOM 1020 C LEU A 66 36.484 -1.657 6.176 1.00 0.00 C ATOM 1021 O LEU A 66 35.711 -0.684 6.089 1.00 0.00 O ATOM 1022 CB LEU A 66 38.059 -1.712 4.100 1.00 0.00 C ATOM 1023 CG LEU A 66 37.297 -2.895 3.383 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.862 -2.495 2.997 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.075 -3.417 2.148 1.00 0.00 C ATOM 0 H LEU A 66 38.901 -3.451 5.778 1.00 0.00 H new ATOM 0 HA LEU A 66 38.300 -0.577 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.712 -0.778 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.118 -1.805 3.858 1.00 0.00 H new ATOM 0 HG LEU A 66 37.234 -3.711 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.370 -3.335 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.306 -2.223 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.892 -1.644 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.517 -4.230 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.202 -2.607 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.053 -3.781 2.462 1.00 0.00 H new ATOM 1037 N GLY A 67 36.141 -2.833 6.735 1.00 0.00 N ATOM 1038 CA GLY A 67 34.888 -3.037 7.453 1.00 0.00 C ATOM 1039 C GLY A 67 34.847 -2.258 8.757 1.00 0.00 C ATOM 1040 O GLY A 67 33.827 -1.665 9.078 1.00 0.00 O ATOM 0 H GLY A 67 36.732 -3.664 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.054 -2.731 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.758 -4.099 7.661 1.00 0.00 H new ATOM 1044 N ARG A 68 35.979 -2.237 9.507 1.00 0.00 N ATOM 1045 CA ARG A 68 36.082 -1.466 10.771 1.00 0.00 C ATOM 1046 C ARG A 68 36.184 0.040 10.491 1.00 0.00 C ATOM 1047 O ARG A 68 35.911 0.855 11.390 1.00 0.00 O ATOM 1048 CB ARG A 68 37.256 -1.909 11.695 1.00 0.00 C ATOM 1049 CG ARG A 68 38.681 -1.597 11.168 1.00 0.00 C ATOM 1050 CD ARG A 68 39.702 -1.297 12.284 1.00 0.00 C ATOM 1051 NE ARG A 68 39.351 -0.055 13.020 1.00 0.00 N ATOM 1052 CZ ARG A 68 40.031 1.107 12.977 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.128 1.229 12.241 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.603 2.152 13.669 1.00 0.00 N ATOM 0 H ARG A 68 36.829 -2.743 9.259 1.00 0.00 H new ATOM 0 HA ARG A 68 35.161 -1.683 11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.133 -1.426 12.664 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.177 -2.983 11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 68 39.036 -2.444 10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.631 -0.742 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.740 -2.135 12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.697 -1.196 11.851 1.00 0.00 H new ATOM 0 HE ARG A 68 38.520 -0.085 13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.468 0.436 11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.631 2.116 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.758 2.077 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 68 40.119 3.031 13.636 1.00 0.00 H new ATOM 1068 N LYS A 69 36.602 0.412 9.253 1.00 0.00 N ATOM 1069 CA LYS A 69 36.463 1.801 8.766 1.00 0.00 C ATOM 1070 C LYS A 69 34.970 2.190 8.819 1.00 0.00 C ATOM 1071 O LYS A 69 34.615 3.258 9.330 1.00 0.00 O ATOM 1072 CB LYS A 69 36.988 1.977 7.313 1.00 0.00 C ATOM 1073 CG LYS A 69 37.067 3.459 6.854 1.00 0.00 C ATOM 1074 CD LYS A 69 37.128 3.683 5.319 1.00 0.00 C ATOM 1075 CE LYS A 69 38.383 3.131 4.617 1.00 0.00 C ATOM 1076 NZ LYS A 69 38.371 1.658 4.476 1.00 0.00 N ATOM 0 H LYS A 69 37.033 -0.226 8.584 1.00 0.00 H new ATOM 0 HA LYS A 69 37.064 2.446 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.979 1.529 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.337 1.429 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.199 3.989 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.949 3.914 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 69 36.249 3.224 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.065 4.753 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 69 38.468 3.584 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.267 3.429 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 39.098 1.244 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 37.437 1.291 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 38.570 1.402 3.488 1.00 0.00 H new ATOM 1090 N TRP A 70 34.105 1.276 8.306 1.00 0.00 N ATOM 1091 CA TRP A 70 32.636 1.425 8.385 1.00 0.00 C ATOM 1092 C TRP A 70 32.154 1.439 9.860 1.00 0.00 C ATOM 1093 O TRP A 70 31.306 2.250 10.204 1.00 0.00 O ATOM 1094 CB TRP A 70 31.896 0.328 7.575 1.00 0.00 C ATOM 1095 CG TRP A 70 30.379 0.428 7.635 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.566 1.214 6.860 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.499 -0.273 8.539 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.253 1.028 7.214 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.191 0.126 8.242 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.702 -1.199 9.567 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.081 -0.362 8.939 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.607 -1.687 10.256 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.311 -1.275 9.937 1.00 0.00 C ATOM 0 H TRP A 70 34.407 0.425 7.832 1.00 0.00 H new ATOM 0 HA TRP A 70 32.388 2.386 7.934 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.212 0.385 6.533 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.200 -0.650 7.947 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.909 1.882 6.084 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.452 1.488 6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.699 -1.528 9.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.080 -0.033 8.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.756 -2.399 11.054 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.475 -1.682 10.486 1.00 0.00 H new ATOM 1114 N LEU A 71 32.709 0.541 10.723 1.00 0.00 N ATOM 1115 CA LEU A 71 32.369 0.476 12.189 1.00 0.00 C ATOM 1116 C LEU A 71 32.569 1.843 12.889 1.00 0.00 C ATOM 1117 O LEU A 71 31.857 2.168 13.845 1.00 0.00 O ATOM 1118 CB LEU A 71 33.218 -0.611 12.938 1.00 0.00 C ATOM 1119 CG LEU A 71 32.645 -2.073 13.009 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.358 -2.669 11.621 1.00 0.00 C ATOM 1121 CD2 LEU A 71 33.598 -2.991 13.818 1.00 0.00 C ATOM 0 H LEU A 71 33.398 -0.154 10.434 1.00 0.00 H new ATOM 0 HA LEU A 71 31.315 0.202 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.197 -0.658 12.460 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.378 -0.265 13.959 1.00 0.00 H new ATOM 0 HG LEU A 71 31.687 -2.013 13.525 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.964 -3.679 11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.626 -2.050 11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.280 -2.701 11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.186 -3.999 13.857 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.575 -3.017 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.704 -2.603 14.831 1.00 0.00 H new ATOM 1133 N GLU A 72 33.537 2.621 12.410 1.00 0.00 N ATOM 1134 CA GLU A 72 33.838 3.948 12.958 1.00 0.00 C ATOM 1135 C GLU A 72 32.835 4.990 12.399 1.00 0.00 C ATOM 1136 O GLU A 72 32.147 5.674 13.170 1.00 0.00 O ATOM 1137 CB GLU A 72 35.322 4.287 12.616 1.00 0.00 C ATOM 1138 CG GLU A 72 35.961 5.483 13.367 1.00 0.00 C ATOM 1139 CD GLU A 72 35.508 6.876 12.892 1.00 0.00 C ATOM 1140 OE1 GLU A 72 35.524 7.130 11.667 1.00 0.00 O ATOM 1141 OE2 GLU A 72 35.171 7.739 13.731 1.00 0.00 O ATOM 0 H GLU A 72 34.137 2.352 11.630 1.00 0.00 H new ATOM 0 HA GLU A 72 33.725 3.965 14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 72 35.926 3.401 12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.386 4.485 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.733 5.388 14.429 1.00 0.00 H new ATOM 0 HG3 GLU A 72 37.044 5.417 13.266 1.00 0.00 H new