USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -164:sc= -0.0419 (180deg=-0.328) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00839) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 1:sc= 0.611 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.108) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc=-0.00611 (180deg=-0.0797) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0.776 (180deg=0.761) USER MOD Single : A 44 SER OG : rot 89:sc= 0.273 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= -0.476 (180deg=-0.648) USER MOD Single : A 47 SER OG : rot -93:sc= 0.435 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.106 -9.102 3.331 1.00 0.00 N ATOM 124 CA MET A 9 19.076 -10.458 2.746 1.00 0.00 C ATOM 125 C MET A 9 20.146 -11.349 3.430 1.00 0.00 C ATOM 126 O MET A 9 21.012 -10.841 4.158 1.00 0.00 O ATOM 127 CB MET A 9 19.314 -10.358 1.197 1.00 0.00 C ATOM 128 CG MET A 9 19.133 -11.666 0.416 1.00 0.00 C ATOM 129 SD MET A 9 19.289 -11.492 -1.377 1.00 0.00 S ATOM 130 CE MET A 9 17.919 -10.420 -1.784 1.00 0.00 C ATOM 0 HA MET A 9 18.102 -10.918 2.915 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.630 -9.614 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.325 -9.989 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.871 -12.388 0.764 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.150 -12.079 0.645 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.730 -10.463 -2.857 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.029 -10.746 -1.245 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.161 -9.396 -1.499 1.00 0.00 H new ATOM 140 N TYR A 10 20.049 -12.681 3.239 1.00 0.00 N ATOM 141 CA TYR A 10 21.099 -13.636 3.653 1.00 0.00 C ATOM 142 C TYR A 10 22.199 -13.699 2.576 1.00 0.00 C ATOM 143 O TYR A 10 21.951 -13.390 1.414 1.00 0.00 O ATOM 144 CB TYR A 10 20.499 -15.046 3.881 1.00 0.00 C ATOM 145 CG TYR A 10 19.336 -15.081 4.887 1.00 0.00 C ATOM 146 CD1 TYR A 10 19.571 -15.100 6.264 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.004 -15.090 4.456 1.00 0.00 C ATOM 148 CE1 TYR A 10 18.526 -15.130 7.167 1.00 0.00 C ATOM 149 CE2 TYR A 10 16.960 -15.121 5.360 1.00 0.00 C ATOM 150 CZ TYR A 10 17.227 -15.141 6.712 1.00 0.00 C ATOM 151 OH TYR A 10 16.184 -15.179 7.610 1.00 0.00 O ATOM 0 H TYR A 10 19.244 -13.124 2.795 1.00 0.00 H new ATOM 0 HA TYR A 10 21.532 -13.292 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.150 -15.439 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.288 -15.712 4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.587 -15.091 6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.789 -15.072 3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.728 -15.145 8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.939 -15.130 5.009 1.00 0.00 H new ATOM 0 HH TYR A 10 15.333 -15.181 7.123 1.00 0.00 H new ATOM 161 N VAL A 11 23.416 -14.099 2.977 1.00 0.00 N ATOM 162 CA VAL A 11 24.574 -14.253 2.073 1.00 0.00 C ATOM 163 C VAL A 11 25.095 -15.689 2.132 1.00 0.00 C ATOM 164 O VAL A 11 25.314 -16.242 3.213 1.00 0.00 O ATOM 165 CB VAL A 11 25.733 -13.249 2.417 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.007 -13.490 1.561 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.246 -11.803 2.254 1.00 0.00 C ATOM 0 H VAL A 11 23.629 -14.328 3.948 1.00 0.00 H new ATOM 0 HA VAL A 11 24.232 -14.025 1.063 1.00 0.00 H new ATOM 0 HB VAL A 11 26.012 -13.425 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.775 -12.769 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.377 -14.500 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.764 -13.370 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.058 -11.116 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.927 -11.640 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.407 -11.624 2.927 1.00 0.00 H new ATOM 177 N PHE A 12 25.265 -16.282 0.947 1.00 0.00 N ATOM 178 CA PHE A 12 25.814 -17.621 0.757 1.00 0.00 C ATOM 179 C PHE A 12 27.085 -17.516 -0.100 1.00 0.00 C ATOM 180 O PHE A 12 27.035 -17.004 -1.215 1.00 0.00 O ATOM 181 CB PHE A 12 24.759 -18.546 0.076 1.00 0.00 C ATOM 182 CG PHE A 12 23.577 -18.928 0.974 1.00 0.00 C ATOM 183 CD1 PHE A 12 22.629 -17.981 1.357 1.00 0.00 C ATOM 184 CD2 PHE A 12 23.418 -20.238 1.439 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.569 -18.325 2.177 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.355 -20.579 2.254 1.00 0.00 C ATOM 187 CZ PHE A 12 21.432 -19.623 2.623 1.00 0.00 C ATOM 0 H PHE A 12 25.016 -15.827 0.069 1.00 0.00 H new ATOM 0 HA PHE A 12 26.066 -18.060 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.377 -18.046 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.255 -19.457 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.723 -16.963 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.136 -20.994 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.848 -17.576 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.247 -21.596 2.602 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.602 -19.891 3.261 1.00 0.00 H new ATOM 197 N LYS A 13 28.228 -17.979 0.434 1.00 0.00 N ATOM 198 CA LYS A 13 29.498 -18.009 -0.306 1.00 0.00 C ATOM 199 C LYS A 13 29.489 -19.219 -1.256 1.00 0.00 C ATOM 200 O LYS A 13 29.903 -20.329 -0.897 1.00 0.00 O ATOM 201 CB LYS A 13 30.699 -18.018 0.683 1.00 0.00 C ATOM 202 CG LYS A 13 32.095 -17.938 0.025 1.00 0.00 C ATOM 203 CD LYS A 13 33.213 -17.634 1.053 1.00 0.00 C ATOM 204 CE LYS A 13 34.627 -17.740 0.460 1.00 0.00 C ATOM 205 NZ LYS A 13 35.009 -19.154 0.193 1.00 0.00 N ATOM 0 H LYS A 13 28.296 -18.341 1.385 1.00 0.00 H new ATOM 0 HA LYS A 13 29.612 -17.111 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.590 -17.178 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.649 -18.927 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.312 -18.881 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.089 -17.163 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.068 -16.630 1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.125 -18.325 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.676 -17.169 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.344 -17.293 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.993 -19.190 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.921 -19.709 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.381 -19.552 -0.534 1.00 0.00 H new ATOM 219 N GLY A 14 28.923 -18.983 -2.451 1.00 0.00 N ATOM 220 CA GLY A 14 28.733 -20.017 -3.451 1.00 0.00 C ATOM 221 C GLY A 14 27.644 -21.000 -3.050 1.00 0.00 C ATOM 222 O GLY A 14 26.451 -20.728 -3.247 1.00 0.00 O ATOM 0 H GLY A 14 28.588 -18.064 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.474 -19.557 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 14 29.670 -20.554 -3.601 1.00 0.00 H new ATOM 226 N GLU A 15 28.061 -22.133 -2.462 1.00 0.00 N ATOM 227 CA GLU A 15 27.157 -23.234 -2.075 1.00 0.00 C ATOM 228 C GLU A 15 26.940 -23.280 -0.548 1.00 0.00 C ATOM 229 O GLU A 15 25.967 -23.877 -0.078 1.00 0.00 O ATOM 230 CB GLU A 15 27.706 -24.591 -2.604 1.00 0.00 C ATOM 231 CG GLU A 15 29.135 -24.946 -2.139 1.00 0.00 C ATOM 232 CD GLU A 15 29.628 -26.302 -2.675 1.00 0.00 C ATOM 233 OE1 GLU A 15 30.188 -26.345 -3.786 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.461 -27.327 -1.982 1.00 0.00 O ATOM 0 H GLU A 15 29.040 -22.314 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 15 26.185 -23.050 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.030 -25.386 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.690 -24.572 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.821 -24.163 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.162 -24.962 -1.049 1.00 0.00 H new ATOM 241 N GLU A 16 27.840 -22.637 0.223 1.00 0.00 N ATOM 242 CA GLU A 16 27.763 -22.619 1.705 1.00 0.00 C ATOM 243 C GLU A 16 27.110 -21.315 2.190 1.00 0.00 C ATOM 244 O GLU A 16 27.141 -20.315 1.481 1.00 0.00 O ATOM 245 CB GLU A 16 29.179 -22.757 2.334 1.00 0.00 C ATOM 246 CG GLU A 16 30.141 -21.610 1.987 1.00 0.00 C ATOM 247 CD GLU A 16 31.488 -21.700 2.709 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.350 -22.489 2.269 1.00 0.00 O ATOM 249 OE2 GLU A 16 31.694 -20.980 3.710 1.00 0.00 O ATOM 0 H GLU A 16 28.634 -22.120 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 16 27.154 -23.466 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.078 -22.815 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.620 -23.698 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.315 -21.606 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.667 -20.661 2.237 1.00 0.00 H new ATOM 256 N SER A 17 26.531 -21.331 3.403 1.00 0.00 N ATOM 257 CA SER A 17 25.989 -20.125 4.045 1.00 0.00 C ATOM 258 C SER A 17 27.141 -19.353 4.710 1.00 0.00 C ATOM 259 O SER A 17 27.834 -19.890 5.585 1.00 0.00 O ATOM 260 CB SER A 17 24.900 -20.501 5.077 1.00 0.00 C ATOM 261 OG SER A 17 24.240 -19.349 5.586 1.00 0.00 O ATOM 0 H SER A 17 26.427 -22.177 3.962 1.00 0.00 H new ATOM 0 HA SER A 17 25.520 -19.489 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.170 -21.163 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.353 -21.054 5.900 1.00 0.00 H new ATOM 0 HG SER A 17 23.557 -19.623 6.234 1.00 0.00 H new ATOM 267 N PHE A 18 27.348 -18.102 4.267 1.00 0.00 N ATOM 268 CA PHE A 18 28.488 -17.274 4.691 1.00 0.00 C ATOM 269 C PHE A 18 28.102 -16.384 5.883 1.00 0.00 C ATOM 270 O PHE A 18 28.744 -16.422 6.941 1.00 0.00 O ATOM 271 CB PHE A 18 28.958 -16.406 3.496 1.00 0.00 C ATOM 272 CG PHE A 18 30.229 -15.600 3.755 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.415 -16.244 4.109 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.245 -14.208 3.649 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.572 -15.527 4.346 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.405 -13.495 3.884 1.00 0.00 C ATOM 277 CZ PHE A 18 32.564 -14.156 4.233 1.00 0.00 C ATOM 0 H PHE A 18 26.729 -17.636 3.604 1.00 0.00 H new ATOM 0 HA PHE A 18 29.303 -17.924 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.124 -17.055 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.156 -15.718 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.429 -17.320 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.341 -13.683 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.481 -16.042 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.404 -12.419 3.794 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.468 -13.595 4.418 1.00 0.00 H new ATOM 287 N GLY A 19 27.041 -15.595 5.682 1.00 0.00 N ATOM 288 CA GLY A 19 26.574 -14.626 6.666 1.00 0.00 C ATOM 289 C GLY A 19 25.255 -14.020 6.252 1.00 0.00 C ATOM 290 O GLY A 19 24.460 -14.677 5.585 1.00 0.00 O ATOM 0 H GLY A 19 26.484 -15.614 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.466 -15.112 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.318 -13.838 6.786 1.00 0.00 H new ATOM 294 N GLU A 20 24.996 -12.776 6.684 1.00 0.00 N ATOM 295 CA GLU A 20 23.770 -12.034 6.336 1.00 0.00 C ATOM 296 C GLU A 20 24.139 -10.588 5.944 1.00 0.00 C ATOM 297 O GLU A 20 24.748 -9.877 6.746 1.00 0.00 O ATOM 298 CB GLU A 20 22.753 -11.988 7.520 1.00 0.00 C ATOM 299 CG GLU A 20 22.365 -13.332 8.191 1.00 0.00 C ATOM 300 CD GLU A 20 23.389 -13.831 9.224 1.00 0.00 C ATOM 301 OE1 GLU A 20 23.632 -13.108 10.216 1.00 0.00 O ATOM 302 OE2 GLU A 20 23.954 -14.933 9.050 1.00 0.00 O ATOM 0 H GLU A 20 25.632 -12.253 7.286 1.00 0.00 H new ATOM 0 HA GLU A 20 23.298 -12.555 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 20 23.164 -11.335 8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.839 -11.518 7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.397 -13.217 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.244 -14.091 7.418 1.00 0.00 H new ATOM 309 N SER A 21 23.757 -10.152 4.730 1.00 0.00 N ATOM 310 CA SER A 21 23.980 -8.771 4.274 1.00 0.00 C ATOM 311 C SER A 21 23.042 -7.826 5.042 1.00 0.00 C ATOM 312 O SER A 21 21.824 -7.856 4.845 1.00 0.00 O ATOM 313 CB SER A 21 23.752 -8.669 2.746 1.00 0.00 C ATOM 314 OG SER A 21 22.544 -9.291 2.352 1.00 0.00 O ATOM 0 H SER A 21 23.289 -10.743 4.043 1.00 0.00 H new ATOM 0 HA SER A 21 25.011 -8.479 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.734 -7.620 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 21 24.588 -9.133 2.222 1.00 0.00 H new ATOM 0 HG SER A 21 22.085 -9.644 3.143 1.00 0.00 H new ATOM 320 N ILE A 22 23.625 -7.031 5.950 1.00 0.00 N ATOM 321 CA ILE A 22 22.880 -6.104 6.815 1.00 0.00 C ATOM 322 C ILE A 22 22.825 -4.706 6.156 1.00 0.00 C ATOM 323 O ILE A 22 21.781 -4.045 6.173 1.00 0.00 O ATOM 324 CB ILE A 22 23.512 -6.083 8.276 1.00 0.00 C ATOM 325 CG1 ILE A 22 22.604 -5.347 9.343 1.00 0.00 C ATOM 326 CG2 ILE A 22 24.952 -5.523 8.264 1.00 0.00 C ATOM 327 CD1 ILE A 22 22.699 -3.825 9.385 1.00 0.00 C ATOM 0 H ILE A 22 24.633 -7.013 6.106 1.00 0.00 H new ATOM 0 HA ILE A 22 21.851 -6.444 6.930 1.00 0.00 H new ATOM 0 HB ILE A 22 23.562 -7.123 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.566 -5.619 9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.858 -5.732 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.351 -5.524 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.579 -6.146 7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.943 -4.503 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.031 -3.440 10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.723 -3.531 9.613 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.411 -3.416 8.417 1.00 0.00 H new ATOM 339 N ASP A 23 23.939 -4.294 5.526 1.00 0.00 N ATOM 340 CA ASP A 23 24.088 -2.948 4.927 1.00 0.00 C ATOM 341 C ASP A 23 24.898 -3.051 3.619 1.00 0.00 C ATOM 342 O ASP A 23 25.486 -4.096 3.333 1.00 0.00 O ATOM 343 CB ASP A 23 24.766 -1.995 5.963 1.00 0.00 C ATOM 344 CG ASP A 23 24.911 -0.525 5.491 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.974 0.274 5.696 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.965 -0.159 4.926 1.00 0.00 O ATOM 0 H ASP A 23 24.765 -4.883 5.416 1.00 0.00 H new ATOM 0 HA ASP A 23 23.112 -2.532 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.185 -2.011 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.755 -2.385 6.202 1.00 0.00 H new ATOM 351 N VAL A 24 24.879 -1.977 2.812 1.00 0.00 N ATOM 352 CA VAL A 24 25.702 -1.850 1.600 1.00 0.00 C ATOM 353 C VAL A 24 25.971 -0.352 1.335 1.00 0.00 C ATOM 354 O VAL A 24 25.046 0.470 1.373 1.00 0.00 O ATOM 355 CB VAL A 24 25.027 -2.546 0.347 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.632 -1.952 0.023 1.00 0.00 C ATOM 357 CG2 VAL A 24 25.966 -2.514 -0.885 1.00 0.00 C ATOM 0 H VAL A 24 24.286 -1.165 2.985 1.00 0.00 H new ATOM 0 HA VAL A 24 26.648 -2.367 1.761 1.00 0.00 H new ATOM 0 HB VAL A 24 24.863 -3.591 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.211 -2.463 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 24 22.971 -2.087 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.731 -0.889 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.475 -2.999 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.193 -1.480 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 24 26.891 -3.041 -0.651 1.00 0.00 H new ATOM 367 N TYR A 25 27.248 0.007 1.111 1.00 0.00 N ATOM 368 CA TYR A 25 27.656 1.395 0.810 1.00 0.00 C ATOM 369 C TYR A 25 28.786 1.374 -0.242 1.00 0.00 C ATOM 370 O TYR A 25 29.724 0.574 -0.130 1.00 0.00 O ATOM 371 CB TYR A 25 28.085 2.143 2.123 1.00 0.00 C ATOM 372 CG TYR A 25 29.506 1.819 2.663 1.00 0.00 C ATOM 373 CD1 TYR A 25 29.851 0.534 3.100 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.509 2.801 2.700 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.130 0.253 3.556 1.00 0.00 C ATOM 376 CE2 TYR A 25 31.782 2.516 3.156 1.00 0.00 C ATOM 377 CZ TYR A 25 32.088 1.245 3.578 1.00 0.00 C ATOM 378 OH TYR A 25 33.355 0.970 4.041 1.00 0.00 O ATOM 0 H TYR A 25 28.025 -0.653 1.133 1.00 0.00 H new ATOM 0 HA TYR A 25 26.812 1.947 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.024 3.216 1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.360 1.909 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.109 -0.251 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.280 3.802 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.376 -0.743 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 25 32.534 3.290 3.181 1.00 0.00 H new ATOM 0 HH TYR A 25 33.906 1.779 3.987 1.00 0.00 H new ATOM 388 N GLY A 26 28.670 2.241 -1.262 1.00 0.00 N ATOM 389 CA GLY A 26 29.678 2.361 -2.321 1.00 0.00 C ATOM 390 C GLY A 26 29.874 1.069 -3.119 1.00 0.00 C ATOM 391 O GLY A 26 29.009 0.684 -3.913 1.00 0.00 O ATOM 0 H GLY A 26 27.878 2.874 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.386 3.160 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.629 2.653 -1.876 1.00 0.00 H new ATOM 395 N ASP A 27 31.014 0.391 -2.878 1.00 0.00 N ATOM 396 CA ASP A 27 31.364 -0.895 -3.533 1.00 0.00 C ATOM 397 C ASP A 27 31.540 -2.018 -2.497 1.00 0.00 C ATOM 398 O ASP A 27 32.116 -3.070 -2.807 1.00 0.00 O ATOM 399 CB ASP A 27 32.665 -0.744 -4.378 1.00 0.00 C ATOM 400 CG ASP A 27 32.476 0.139 -5.623 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.083 -0.388 -6.686 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.710 1.365 -5.543 1.00 0.00 O ATOM 0 H ASP A 27 31.723 0.717 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 27 30.540 -1.164 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.450 -0.318 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.006 -1.732 -4.689 1.00 0.00 H new ATOM 407 N TYR A 28 31.012 -1.817 -1.277 1.00 0.00 N ATOM 408 CA TYR A 28 31.184 -2.769 -0.161 1.00 0.00 C ATOM 409 C TYR A 28 29.828 -3.180 0.433 1.00 0.00 C ATOM 410 O TYR A 28 29.113 -2.355 1.012 1.00 0.00 O ATOM 411 CB TYR A 28 32.087 -2.151 0.935 1.00 0.00 C ATOM 412 CG TYR A 28 33.490 -1.771 0.441 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.367 -2.749 -0.047 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.932 -0.445 0.448 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.625 -2.416 -0.502 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.194 -0.110 -0.007 1.00 0.00 C ATOM 417 CZ TYR A 28 36.036 -1.097 -0.481 1.00 0.00 C ATOM 418 OH TYR A 28 37.294 -0.768 -0.934 1.00 0.00 O ATOM 0 H TYR A 28 30.457 -0.996 -1.036 1.00 0.00 H new ATOM 0 HA TYR A 28 31.665 -3.666 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.600 -1.262 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.181 -2.860 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.052 -3.782 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.277 0.331 0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.287 -3.184 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.520 0.919 0.008 1.00 0.00 H new ATOM 0 HH TYR A 28 37.428 0.199 -0.853 1.00 0.00 H new ATOM 428 N LEU A 29 29.484 -4.460 0.256 1.00 0.00 N ATOM 429 CA LEU A 29 28.332 -5.094 0.898 1.00 0.00 C ATOM 430 C LEU A 29 28.722 -5.530 2.323 1.00 0.00 C ATOM 431 O LEU A 29 29.501 -6.475 2.495 1.00 0.00 O ATOM 432 CB LEU A 29 27.866 -6.320 0.063 1.00 0.00 C ATOM 433 CG LEU A 29 26.637 -7.096 0.627 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.382 -6.208 0.653 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.388 -8.405 -0.154 1.00 0.00 C ATOM 0 H LEU A 29 30.008 -5.093 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 29 27.507 -4.383 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.626 -5.980 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.701 -7.015 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 29 26.866 -7.372 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.542 -6.777 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.564 -5.339 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.149 -5.877 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.524 -8.920 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.198 -8.173 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.266 -9.047 -0.078 1.00 0.00 H new ATOM 447 N ILE A 30 28.198 -4.822 3.333 1.00 0.00 N ATOM 448 CA ILE A 30 28.439 -5.148 4.747 1.00 0.00 C ATOM 449 C ILE A 30 27.680 -6.437 5.119 1.00 0.00 C ATOM 450 O ILE A 30 26.443 -6.434 5.243 1.00 0.00 O ATOM 451 CB ILE A 30 27.994 -3.981 5.704 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.672 -2.631 5.308 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.282 -4.337 7.183 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.179 -2.626 5.447 1.00 0.00 C ATOM 0 H ILE A 30 27.597 -4.010 3.195 1.00 0.00 H new ATOM 0 HA ILE A 30 29.512 -5.293 4.875 1.00 0.00 H new ATOM 0 HB ILE A 30 26.917 -3.853 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.413 -2.397 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.259 -1.835 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 30 27.965 -3.514 7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.734 -5.239 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.350 -4.509 7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.568 -1.652 5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.449 -2.826 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.606 -3.397 4.806 1.00 0.00 H new ATOM 466 N VAL A 31 28.436 -7.536 5.269 1.00 0.00 N ATOM 467 CA VAL A 31 27.894 -8.850 5.625 1.00 0.00 C ATOM 468 C VAL A 31 28.300 -9.210 7.061 1.00 0.00 C ATOM 469 O VAL A 31 29.493 -9.289 7.388 1.00 0.00 O ATOM 470 CB VAL A 31 28.385 -9.958 4.622 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.820 -11.354 4.981 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.038 -9.565 3.165 1.00 0.00 C ATOM 0 H VAL A 31 29.448 -7.534 5.145 1.00 0.00 H new ATOM 0 HA VAL A 31 26.807 -8.802 5.562 1.00 0.00 H new ATOM 0 HB VAL A 31 29.469 -10.026 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.184 -12.089 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.147 -11.632 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.731 -11.325 4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.385 -10.343 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.958 -9.452 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.526 -8.622 2.916 1.00 0.00 H new ATOM 482 N LYS A 32 27.285 -9.407 7.911 1.00 0.00 N ATOM 483 CA LYS A 32 27.454 -9.889 9.278 1.00 0.00 C ATOM 484 C LYS A 32 27.781 -11.394 9.250 1.00 0.00 C ATOM 485 O LYS A 32 26.931 -12.220 8.911 1.00 0.00 O ATOM 486 CB LYS A 32 26.165 -9.610 10.099 1.00 0.00 C ATOM 487 CG LYS A 32 26.168 -10.201 11.527 1.00 0.00 C ATOM 488 CD LYS A 32 27.360 -9.721 12.389 1.00 0.00 C ATOM 489 CE LYS A 32 27.367 -10.358 13.781 1.00 0.00 C ATOM 490 NZ LYS A 32 26.148 -10.011 14.549 1.00 0.00 N ATOM 0 H LYS A 32 26.312 -9.232 7.661 1.00 0.00 H new ATOM 0 HA LYS A 32 28.279 -9.363 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.020 -8.532 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.310 -10.013 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.237 -9.931 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.191 -11.289 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.293 -9.959 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.319 -8.636 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.441 -11.441 13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.249 -10.026 14.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.255 -10.330 15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.009 -8.981 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.323 -10.479 14.121 1.00 0.00 H new ATOM 504 N VAL A 33 29.036 -11.717 9.584 1.00 0.00 N ATOM 505 CA VAL A 33 29.563 -13.089 9.615 1.00 0.00 C ATOM 506 C VAL A 33 29.967 -13.484 11.052 1.00 0.00 C ATOM 507 O VAL A 33 30.989 -13.024 11.582 1.00 0.00 O ATOM 508 CB VAL A 33 30.767 -13.257 8.602 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.250 -13.247 7.152 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.852 -12.163 8.792 1.00 0.00 C ATOM 0 H VAL A 33 29.730 -11.017 9.846 1.00 0.00 H new ATOM 0 HA VAL A 33 28.773 -13.768 9.295 1.00 0.00 H new ATOM 0 HB VAL A 33 31.235 -14.219 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.089 -13.363 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.548 -14.069 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.746 -12.301 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.657 -12.321 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.410 -11.180 8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.252 -12.219 9.804 1.00 0.00 H new ATOM 520 N GLY A 34 29.105 -14.294 11.685 1.00 0.00 N ATOM 521 CA GLY A 34 29.357 -14.870 13.007 1.00 0.00 C ATOM 522 C GLY A 34 29.501 -13.831 14.118 1.00 0.00 C ATOM 523 O GLY A 34 28.514 -13.437 14.752 1.00 0.00 O ATOM 0 H GLY A 34 28.207 -14.568 11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.540 -15.547 13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.266 -15.470 12.964 1.00 0.00 H new ATOM 527 N THR A 35 30.746 -13.371 14.319 1.00 0.00 N ATOM 528 CA THR A 35 31.123 -12.455 15.403 1.00 0.00 C ATOM 529 C THR A 35 30.895 -10.979 15.015 1.00 0.00 C ATOM 530 O THR A 35 30.385 -10.189 15.826 1.00 0.00 O ATOM 531 CB THR A 35 32.626 -12.673 15.795 1.00 0.00 C ATOM 532 OG1 THR A 35 33.451 -12.566 14.623 1.00 0.00 O ATOM 533 CG2 THR A 35 32.850 -14.048 16.460 1.00 0.00 C ATOM 0 H THR A 35 31.531 -13.631 13.722 1.00 0.00 H new ATOM 0 HA THR A 35 30.484 -12.679 16.257 1.00 0.00 H new ATOM 0 HB THR A 35 32.898 -11.903 16.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 34.390 -12.701 14.870 1.00 0.00 H new ATOM 0 HG21 THR A 35 33.903 -14.161 16.717 1.00 0.00 H new ATOM 0 HG22 THR A 35 32.247 -14.117 17.365 1.00 0.00 H new ATOM 0 HG23 THR A 35 32.558 -14.838 15.768 1.00 0.00 H new ATOM 541 N GLU A 36 31.238 -10.622 13.763 1.00 0.00 N ATOM 542 CA GLU A 36 31.368 -9.204 13.350 1.00 0.00 C ATOM 543 C GLU A 36 31.036 -8.991 11.858 1.00 0.00 C ATOM 544 O GLU A 36 30.630 -9.921 11.163 1.00 0.00 O ATOM 545 CB GLU A 36 32.807 -8.715 13.662 1.00 0.00 C ATOM 546 CG GLU A 36 33.909 -9.545 12.981 1.00 0.00 C ATOM 547 CD GLU A 36 35.316 -9.062 13.336 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.744 -8.023 12.806 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.988 -9.701 14.176 1.00 0.00 O ATOM 0 H GLU A 36 31.431 -11.292 13.018 1.00 0.00 H new ATOM 0 HA GLU A 36 30.642 -8.620 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 32.903 -7.675 13.349 1.00 0.00 H new ATOM 0 HB3 GLU A 36 32.962 -8.738 14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.804 -10.590 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.776 -9.501 11.900 1.00 0.00 H new ATOM 556 N PHE A 37 31.226 -7.742 11.393 1.00 0.00 N ATOM 557 CA PHE A 37 30.830 -7.283 10.049 1.00 0.00 C ATOM 558 C PHE A 37 32.063 -7.167 9.127 1.00 0.00 C ATOM 559 O PHE A 37 32.932 -6.316 9.353 1.00 0.00 O ATOM 560 CB PHE A 37 30.126 -5.898 10.164 1.00 0.00 C ATOM 561 CG PHE A 37 28.934 -5.870 11.128 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.118 -5.640 12.495 1.00 0.00 C ATOM 563 CD2 PHE A 37 27.634 -6.086 10.674 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.042 -5.625 13.369 1.00 0.00 C ATOM 565 CE2 PHE A 37 26.561 -6.071 11.550 1.00 0.00 C ATOM 566 CZ PHE A 37 26.765 -5.841 12.895 1.00 0.00 C ATOM 0 H PHE A 37 31.667 -7.011 11.951 1.00 0.00 H new ATOM 0 HA PHE A 37 30.144 -8.011 9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.858 -5.158 10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 37 29.784 -5.595 9.174 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.114 -5.471 12.876 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.461 -6.268 9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.204 -5.444 14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 37 25.561 -6.240 11.179 1.00 0.00 H new ATOM 0 HZ PHE A 37 25.926 -5.830 13.575 1.00 0.00 H new ATOM 576 N LEU A 38 32.149 -8.045 8.113 1.00 0.00 N ATOM 577 CA LEU A 38 33.172 -7.964 7.047 1.00 0.00 C ATOM 578 C LEU A 38 32.512 -7.429 5.765 1.00 0.00 C ATOM 579 O LEU A 38 31.481 -7.952 5.313 1.00 0.00 O ATOM 580 CB LEU A 38 33.858 -9.345 6.800 1.00 0.00 C ATOM 581 CG LEU A 38 35.068 -9.694 7.736 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.667 -9.753 9.231 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.755 -11.005 7.283 1.00 0.00 C ATOM 0 H LEU A 38 31.511 -8.834 8.006 1.00 0.00 H new ATOM 0 HA LEU A 38 33.960 -7.280 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 33.105 -10.126 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.204 -9.376 5.767 1.00 0.00 H new ATOM 0 HG LEU A 38 35.788 -8.881 7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.542 -9.998 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.273 -8.785 9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.903 -10.518 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.591 -11.226 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 38 35.036 -11.824 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 36.123 -10.890 6.263 1.00 0.00 H new ATOM 595 N ALA A 39 33.115 -6.374 5.199 1.00 0.00 N ATOM 596 CA ALA A 39 32.577 -5.665 4.033 1.00 0.00 C ATOM 597 C ALA A 39 33.026 -6.335 2.726 1.00 0.00 C ATOM 598 O ALA A 39 34.113 -6.054 2.205 1.00 0.00 O ATOM 599 CB ALA A 39 33.023 -4.204 4.089 1.00 0.00 C ATOM 0 H ALA A 39 33.995 -5.988 5.541 1.00 0.00 H new ATOM 0 HA ALA A 39 31.488 -5.706 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.627 -3.669 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.648 -3.744 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.112 -4.155 4.078 1.00 0.00 H new ATOM 605 N VAL A 40 32.174 -7.235 2.225 1.00 0.00 N ATOM 606 CA VAL A 40 32.423 -8.005 0.998 1.00 0.00 C ATOM 607 C VAL A 40 32.299 -7.093 -0.254 1.00 0.00 C ATOM 608 O VAL A 40 31.207 -6.585 -0.524 1.00 0.00 O ATOM 609 CB VAL A 40 31.414 -9.216 0.901 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.657 -10.072 -0.365 1.00 0.00 C ATOM 611 CG2 VAL A 40 31.468 -10.083 2.185 1.00 0.00 C ATOM 0 H VAL A 40 31.280 -7.453 2.665 1.00 0.00 H new ATOM 0 HA VAL A 40 33.439 -8.398 1.035 1.00 0.00 H new ATOM 0 HB VAL A 40 30.411 -8.799 0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 40 30.941 -10.894 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 40 31.531 -9.452 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 40 32.670 -10.474 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 40 30.765 -10.911 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 40 32.476 -10.476 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.201 -9.473 3.048 1.00 0.00 H new ATOM 621 N PRO A 41 33.412 -6.867 -1.035 1.00 0.00 N ATOM 622 CA PRO A 41 33.376 -6.030 -2.262 1.00 0.00 C ATOM 623 C PRO A 41 32.439 -6.620 -3.341 1.00 0.00 C ATOM 624 O PRO A 41 32.285 -7.841 -3.432 1.00 0.00 O ATOM 625 CB PRO A 41 34.855 -6.009 -2.735 1.00 0.00 C ATOM 626 CG PRO A 41 35.463 -7.235 -2.125 1.00 0.00 C ATOM 627 CD PRO A 41 34.779 -7.402 -0.787 1.00 0.00 C ATOM 0 HA PRO A 41 32.979 -5.033 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.924 -6.031 -3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.365 -5.105 -2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 41 35.305 -8.108 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.540 -7.120 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.752 -8.446 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.292 -6.848 -0.001 1.00 0.00 H new ATOM 635 N LYS A 42 31.840 -5.741 -4.170 1.00 0.00 N ATOM 636 CA LYS A 42 30.805 -6.128 -5.161 1.00 0.00 C ATOM 637 C LYS A 42 31.360 -7.016 -6.296 1.00 0.00 C ATOM 638 O LYS A 42 30.584 -7.668 -7.007 1.00 0.00 O ATOM 639 CB LYS A 42 30.096 -4.872 -5.741 1.00 0.00 C ATOM 640 CG LYS A 42 29.423 -3.965 -4.682 1.00 0.00 C ATOM 641 CD LYS A 42 28.415 -4.705 -3.762 1.00 0.00 C ATOM 642 CE LYS A 42 27.226 -5.316 -4.525 1.00 0.00 C ATOM 643 NZ LYS A 42 26.474 -4.295 -5.297 1.00 0.00 N ATOM 0 H LYS A 42 32.057 -4.744 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 42 30.072 -6.730 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.826 -4.282 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 42 29.340 -5.196 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.197 -3.511 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.905 -3.153 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.938 -5.496 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.038 -4.008 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.589 -6.088 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.554 -5.803 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.634 -4.733 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.177 -3.528 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.083 -3.908 -6.046 1.00 0.00 H new ATOM 657 N LYS A 43 32.698 -7.034 -6.453 1.00 0.00 N ATOM 658 CA LYS A 43 33.390 -7.952 -7.386 1.00 0.00 C ATOM 659 C LYS A 43 33.219 -9.423 -6.938 1.00 0.00 C ATOM 660 O LYS A 43 33.173 -10.338 -7.768 1.00 0.00 O ATOM 661 CB LYS A 43 34.897 -7.580 -7.507 1.00 0.00 C ATOM 662 CG LYS A 43 35.704 -7.694 -6.191 1.00 0.00 C ATOM 663 CD LYS A 43 37.193 -7.308 -6.369 1.00 0.00 C ATOM 664 CE LYS A 43 38.021 -7.500 -5.083 1.00 0.00 C ATOM 665 NZ LYS A 43 39.461 -7.189 -5.300 1.00 0.00 N ATOM 0 H LYS A 43 33.329 -6.417 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 43 32.934 -7.845 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.357 -8.226 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 43 34.975 -6.558 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.253 -7.050 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.640 -8.716 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.626 -7.911 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.258 -6.267 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.625 -6.857 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.920 -8.528 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 39.998 -7.411 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 39.824 -7.759 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.568 -6.179 -5.524 1.00 0.00 H new ATOM 679 N SER A 44 33.109 -9.621 -5.610 1.00 0.00 N ATOM 680 CA SER A 44 32.890 -10.941 -5.007 1.00 0.00 C ATOM 681 C SER A 44 31.425 -11.376 -5.172 1.00 0.00 C ATOM 682 O SER A 44 31.159 -12.569 -5.296 1.00 0.00 O ATOM 683 CB SER A 44 33.287 -10.926 -3.520 1.00 0.00 C ATOM 684 OG SER A 44 33.134 -12.204 -2.914 1.00 0.00 O ATOM 0 H SER A 44 33.170 -8.865 -4.928 1.00 0.00 H new ATOM 0 HA SER A 44 33.521 -11.664 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.323 -10.601 -3.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.675 -10.197 -2.989 1.00 0.00 H new ATOM 0 HG SER A 44 33.960 -12.719 -3.024 1.00 0.00 H new ATOM 690 N ILE A 45 30.478 -10.402 -5.160 1.00 0.00 N ATOM 691 CA ILE A 45 29.048 -10.694 -5.392 1.00 0.00 C ATOM 692 C ILE A 45 28.885 -11.238 -6.833 1.00 0.00 C ATOM 693 O ILE A 45 29.155 -10.543 -7.821 1.00 0.00 O ATOM 694 CB ILE A 45 28.101 -9.438 -5.129 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.943 -9.113 -3.595 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.696 -9.641 -5.761 1.00 0.00 C ATOM 697 CD1 ILE A 45 29.204 -8.699 -2.855 1.00 0.00 C ATOM 0 H ILE A 45 30.682 -9.417 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 45 28.729 -11.446 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 45 28.590 -8.590 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.208 -8.315 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.531 -9.993 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 45 26.078 -8.766 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.798 -9.776 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.226 -10.524 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.965 -8.503 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.940 -9.500 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.613 -7.796 -3.309 1.00 0.00 H new ATOM 709 N LYS A 46 28.478 -12.508 -6.914 1.00 0.00 N ATOM 710 CA LYS A 46 28.399 -13.275 -8.164 1.00 0.00 C ATOM 711 C LYS A 46 26.979 -13.227 -8.743 1.00 0.00 C ATOM 712 O LYS A 46 26.780 -12.843 -9.902 1.00 0.00 O ATOM 713 CB LYS A 46 28.826 -14.745 -7.891 1.00 0.00 C ATOM 714 CG LYS A 46 30.265 -14.903 -7.346 1.00 0.00 C ATOM 715 CD LYS A 46 31.332 -14.310 -8.296 1.00 0.00 C ATOM 716 CE LYS A 46 32.751 -14.357 -7.714 1.00 0.00 C ATOM 717 NZ LYS A 46 33.222 -15.745 -7.468 1.00 0.00 N ATOM 0 H LYS A 46 28.188 -13.044 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 46 29.073 -12.832 -8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.130 -15.186 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.737 -15.314 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.337 -14.413 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.474 -15.961 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.314 -14.857 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.073 -13.276 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 46 33.438 -13.860 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.775 -13.798 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.125 -15.719 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.515 -16.256 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.357 -16.232 -8.377 1.00 0.00 H new ATOM 731 N SER A 47 25.993 -13.595 -7.915 1.00 0.00 N ATOM 732 CA SER A 47 24.599 -13.738 -8.347 1.00 0.00 C ATOM 733 C SER A 47 23.651 -13.429 -7.176 1.00 0.00 C ATOM 734 O SER A 47 23.871 -13.893 -6.058 1.00 0.00 O ATOM 735 CB SER A 47 24.377 -15.175 -8.882 1.00 0.00 C ATOM 736 OG SER A 47 23.106 -15.315 -9.487 1.00 0.00 O ATOM 0 H SER A 47 26.140 -13.802 -6.927 1.00 0.00 H new ATOM 0 HA SER A 47 24.384 -13.030 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 47 25.154 -15.418 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.471 -15.888 -8.062 1.00 0.00 H new ATOM 0 HG SER A 47 22.461 -15.636 -8.823 1.00 0.00 H new ATOM 742 N VAL A 48 22.607 -12.629 -7.440 1.00 0.00 N ATOM 743 CA VAL A 48 21.575 -12.289 -6.439 1.00 0.00 C ATOM 744 C VAL A 48 20.329 -13.183 -6.633 1.00 0.00 C ATOM 745 O VAL A 48 19.628 -13.100 -7.645 1.00 0.00 O ATOM 746 CB VAL A 48 21.205 -10.751 -6.477 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.869 -10.268 -7.910 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.065 -10.412 -5.472 1.00 0.00 C ATOM 0 H VAL A 48 22.451 -12.198 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 48 21.984 -12.485 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 48 22.092 -10.202 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.621 -9.207 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.731 -10.426 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.018 -10.831 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.837 -9.347 -5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.174 -10.987 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.384 -10.664 -4.461 1.00 0.00 H new ATOM 758 N GLU A 49 20.099 -14.068 -5.657 1.00 0.00 N ATOM 759 CA GLU A 49 18.966 -15.009 -5.644 1.00 0.00 C ATOM 760 C GLU A 49 17.871 -14.544 -4.665 1.00 0.00 C ATOM 761 O GLU A 49 18.048 -13.568 -3.922 1.00 0.00 O ATOM 762 CB GLU A 49 19.476 -16.428 -5.269 1.00 0.00 C ATOM 763 CG GLU A 49 20.568 -16.981 -6.212 1.00 0.00 C ATOM 764 CD GLU A 49 20.115 -17.049 -7.683 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.320 -17.943 -8.022 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.529 -16.203 -8.499 1.00 0.00 O ATOM 0 H GLU A 49 20.703 -14.155 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 49 18.523 -15.040 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.869 -16.403 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.631 -17.116 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.455 -16.352 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.856 -17.978 -5.880 1.00 0.00 H new ATOM 773 N ASP A 50 16.731 -15.258 -4.686 1.00 0.00 N ATOM 774 CA ASP A 50 15.586 -14.985 -3.800 1.00 0.00 C ATOM 775 C ASP A 50 15.943 -15.345 -2.345 1.00 0.00 C ATOM 776 O ASP A 50 15.980 -16.526 -1.978 1.00 0.00 O ATOM 777 CB ASP A 50 14.333 -15.768 -4.278 1.00 0.00 C ATOM 778 CG ASP A 50 13.806 -15.289 -5.647 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.396 -15.655 -6.687 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.797 -14.555 -5.692 1.00 0.00 O ATOM 0 H ASP A 50 16.578 -16.042 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 50 15.353 -13.921 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.576 -16.829 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.542 -15.665 -3.535 1.00 0.00 H new ATOM 785 N GLY A 51 16.267 -14.309 -1.545 1.00 0.00 N ATOM 786 CA GLY A 51 16.637 -14.480 -0.137 1.00 0.00 C ATOM 787 C GLY A 51 18.083 -14.930 0.061 1.00 0.00 C ATOM 788 O GLY A 51 18.469 -15.302 1.174 1.00 0.00 O ATOM 0 H GLY A 51 16.278 -13.339 -1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.483 -13.538 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.971 -15.212 0.319 1.00 0.00 H new ATOM 792 N ARG A 52 18.902 -14.863 -1.015 1.00 0.00 N ATOM 793 CA ARG A 52 20.317 -15.305 -0.999 1.00 0.00 C ATOM 794 C ARG A 52 21.180 -14.342 -1.834 1.00 0.00 C ATOM 795 O ARG A 52 20.779 -13.946 -2.922 1.00 0.00 O ATOM 796 CB ARG A 52 20.459 -16.742 -1.590 1.00 0.00 C ATOM 797 CG ARG A 52 19.607 -17.833 -0.905 1.00 0.00 C ATOM 798 CD ARG A 52 19.795 -19.219 -1.543 1.00 0.00 C ATOM 799 NE ARG A 52 21.197 -19.677 -1.490 1.00 0.00 N ATOM 800 CZ ARG A 52 21.620 -20.916 -1.794 1.00 0.00 C ATOM 801 NH1 ARG A 52 20.763 -21.860 -2.175 1.00 0.00 N ATOM 802 NH2 ARG A 52 22.905 -21.207 -1.703 1.00 0.00 N ATOM 0 H ARG A 52 18.600 -14.501 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 52 20.654 -15.308 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.193 -16.709 -2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.507 -17.036 -1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.871 -17.885 0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.555 -17.553 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.160 -19.941 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.465 -19.186 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 52 21.901 -18.999 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.767 -21.649 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.102 -22.795 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 52 23.570 -20.493 -1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.233 -22.145 -1.932 1.00 0.00 H new ATOM 816 N ILE A 53 22.356 -13.958 -1.311 1.00 0.00 N ATOM 817 CA ILE A 53 23.398 -13.271 -2.091 1.00 0.00 C ATOM 818 C ILE A 53 24.552 -14.263 -2.285 1.00 0.00 C ATOM 819 O ILE A 53 25.320 -14.518 -1.348 1.00 0.00 O ATOM 820 CB ILE A 53 23.938 -11.964 -1.378 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.800 -10.921 -1.119 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.095 -11.316 -2.183 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.221 -10.278 -2.375 1.00 0.00 C ATOM 0 H ILE A 53 22.611 -14.115 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 53 22.970 -12.950 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 53 24.327 -12.276 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.993 -11.413 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.188 -10.135 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.442 -10.422 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.918 -12.025 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.739 -11.045 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.440 -9.571 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.011 -9.753 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.798 -11.050 -3.017 1.00 0.00 H new ATOM 835 N VAL A 54 24.653 -14.845 -3.489 1.00 0.00 N ATOM 836 CA VAL A 54 25.734 -15.769 -3.823 1.00 0.00 C ATOM 837 C VAL A 54 26.992 -14.953 -4.125 1.00 0.00 C ATOM 838 O VAL A 54 27.022 -14.195 -5.093 1.00 0.00 O ATOM 839 CB VAL A 54 25.361 -16.697 -5.042 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.533 -17.641 -5.410 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.062 -17.497 -4.750 1.00 0.00 C ATOM 0 H VAL A 54 23.991 -14.687 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 54 25.910 -16.430 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 54 25.174 -16.058 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.244 -18.268 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.407 -17.048 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.774 -18.272 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.825 -18.130 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.209 -18.119 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.240 -16.804 -4.573 1.00 0.00 H new ATOM 851 N ILE A 55 27.996 -15.068 -3.247 1.00 0.00 N ATOM 852 CA ILE A 55 29.312 -14.435 -3.426 1.00 0.00 C ATOM 853 C ILE A 55 30.382 -15.514 -3.662 1.00 0.00 C ATOM 854 O ILE A 55 30.085 -16.715 -3.662 1.00 0.00 O ATOM 855 CB ILE A 55 29.730 -13.538 -2.190 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.010 -14.399 -0.916 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.661 -12.459 -1.897 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.684 -13.652 0.218 1.00 0.00 C ATOM 0 H ILE A 55 27.919 -15.607 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 55 29.236 -13.780 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 55 30.659 -13.035 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.066 -14.806 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.635 -15.246 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.975 -11.858 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.544 -11.816 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.710 -12.941 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.838 -14.329 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.647 -13.268 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.053 -12.821 0.532 1.00 0.00 H new ATOM 870 N GLY A 56 31.621 -15.065 -3.888 1.00 0.00 N ATOM 871 CA GLY A 56 32.781 -15.944 -3.967 1.00 0.00 C ATOM 872 C GLY A 56 33.812 -15.568 -2.923 1.00 0.00 C ATOM 873 O GLY A 56 33.455 -15.139 -1.816 1.00 0.00 O ATOM 0 H GLY A 56 31.843 -14.078 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.470 -16.978 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.224 -15.881 -4.961 1.00 0.00 H new ATOM 877 N GLU A 57 35.096 -15.738 -3.263 1.00 0.00 N ATOM 878 CA GLU A 57 36.214 -15.276 -2.429 1.00 0.00 C ATOM 879 C GLU A 57 36.460 -13.774 -2.660 1.00 0.00 C ATOM 880 O GLU A 57 35.939 -13.178 -3.611 1.00 0.00 O ATOM 881 CB GLU A 57 37.489 -16.103 -2.727 1.00 0.00 C ATOM 882 CG GLU A 57 37.971 -16.059 -4.191 1.00 0.00 C ATOM 883 CD GLU A 57 39.252 -16.877 -4.416 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.162 -18.112 -4.532 1.00 0.00 O ATOM 885 OE2 GLU A 57 40.358 -16.290 -4.450 1.00 0.00 O ATOM 0 H GLU A 57 35.390 -16.200 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 57 35.958 -15.423 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.294 -15.745 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.302 -17.141 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 57 37.183 -16.439 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 57 38.150 -15.023 -4.480 1.00 0.00 H new ATOM 892 N PHE A 58 37.240 -13.174 -1.764 1.00 0.00 N ATOM 893 CA PHE A 58 37.533 -11.734 -1.767 1.00 0.00 C ATOM 894 C PHE A 58 38.694 -11.456 -0.817 1.00 0.00 C ATOM 895 O PHE A 58 39.154 -12.363 -0.104 1.00 0.00 O ATOM 896 CB PHE A 58 36.278 -10.905 -1.357 1.00 0.00 C ATOM 897 CG PHE A 58 35.672 -11.263 0.009 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.847 -12.381 0.157 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.930 -10.489 1.139 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.310 -12.711 1.382 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.388 -10.822 2.366 1.00 0.00 C ATOM 902 CZ PHE A 58 34.584 -11.930 2.487 1.00 0.00 C ATOM 0 H PHE A 58 37.695 -13.677 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 58 37.810 -11.431 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.547 -9.849 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.512 -11.035 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.627 -12.996 -0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.562 -9.617 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.675 -13.580 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.597 -10.210 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.166 -12.190 3.448 1.00 0.00 H new ATOM 912 N ASP A 59 39.159 -10.202 -0.805 1.00 0.00 N ATOM 913 CA ASP A 59 40.188 -9.748 0.134 1.00 0.00 C ATOM 914 C ASP A 59 39.551 -9.625 1.533 1.00 0.00 C ATOM 915 O ASP A 59 39.034 -8.572 1.904 1.00 0.00 O ATOM 916 CB ASP A 59 40.794 -8.404 -0.336 1.00 0.00 C ATOM 917 CG ASP A 59 41.275 -8.421 -1.796 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.400 -8.894 -2.066 1.00 0.00 O ATOM 919 OD2 ASP A 59 40.521 -7.955 -2.678 1.00 0.00 O ATOM 0 H ASP A 59 38.833 -9.476 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 59 41.005 -10.469 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.048 -7.618 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.633 -8.148 0.311 1.00 0.00 H new ATOM 924 N GLU A 60 39.540 -10.753 2.255 1.00 0.00 N ATOM 925 CA GLU A 60 38.825 -10.922 3.537 1.00 0.00 C ATOM 926 C GLU A 60 39.482 -10.135 4.683 1.00 0.00 C ATOM 927 O GLU A 60 38.782 -9.579 5.539 1.00 0.00 O ATOM 928 CB GLU A 60 38.714 -12.438 3.857 1.00 0.00 C ATOM 929 CG GLU A 60 40.064 -13.189 3.912 1.00 0.00 C ATOM 930 CD GLU A 60 39.917 -14.710 3.789 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.746 -15.201 2.655 1.00 0.00 O ATOM 932 OE2 GLU A 60 39.970 -15.420 4.811 1.00 0.00 O ATOM 0 H GLU A 60 40.037 -11.594 1.962 1.00 0.00 H new ATOM 0 HA GLU A 60 37.823 -10.505 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.209 -12.557 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.083 -12.909 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.706 -12.827 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.565 -12.954 4.851 1.00 0.00 H new ATOM 939 N GLU A 61 40.824 -10.073 4.670 1.00 0.00 N ATOM 940 CA GLU A 61 41.605 -9.314 5.668 1.00 0.00 C ATOM 941 C GLU A 61 41.429 -7.799 5.440 1.00 0.00 C ATOM 942 O GLU A 61 41.402 -7.009 6.397 1.00 0.00 O ATOM 943 CB GLU A 61 43.104 -9.729 5.603 1.00 0.00 C ATOM 944 CG GLU A 61 44.010 -9.027 6.638 1.00 0.00 C ATOM 945 CD GLU A 61 45.450 -9.565 6.669 1.00 0.00 C ATOM 946 OE1 GLU A 61 46.279 -9.131 5.844 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.764 -10.419 7.529 1.00 0.00 O ATOM 0 H GLU A 61 41.398 -10.545 3.971 1.00 0.00 H new ATOM 0 HA GLU A 61 41.236 -9.547 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.176 -10.807 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.484 -9.516 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 61 44.036 -7.959 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.569 -9.139 7.628 1.00 0.00 H new ATOM 954 N GLU A 62 41.285 -7.415 4.160 1.00 0.00 N ATOM 955 CA GLU A 62 41.012 -6.027 3.762 1.00 0.00 C ATOM 956 C GLU A 62 39.571 -5.642 4.141 1.00 0.00 C ATOM 957 O GLU A 62 39.324 -4.547 4.634 1.00 0.00 O ATOM 958 CB GLU A 62 41.251 -5.839 2.246 1.00 0.00 C ATOM 959 CG GLU A 62 42.680 -6.193 1.784 1.00 0.00 C ATOM 960 CD GLU A 62 43.762 -5.277 2.377 1.00 0.00 C ATOM 961 OE1 GLU A 62 44.073 -4.238 1.759 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.305 -5.590 3.459 1.00 0.00 O ATOM 0 H GLU A 62 41.355 -8.060 3.373 1.00 0.00 H new ATOM 0 HA GLU A 62 41.698 -5.368 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.540 -6.457 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.042 -4.802 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.897 -7.225 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.725 -6.138 0.696 1.00 0.00 H new ATOM 969 N ALA A 63 38.635 -6.583 3.933 1.00 0.00 N ATOM 970 CA ALA A 63 37.203 -6.412 4.274 1.00 0.00 C ATOM 971 C ALA A 63 37.005 -6.249 5.793 1.00 0.00 C ATOM 972 O ALA A 63 36.036 -5.637 6.241 1.00 0.00 O ATOM 973 CB ALA A 63 36.404 -7.622 3.762 1.00 0.00 C ATOM 0 H ALA A 63 38.847 -7.492 3.521 1.00 0.00 H new ATOM 0 HA ALA A 63 36.840 -5.504 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.351 -7.495 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.512 -7.698 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.782 -8.531 4.229 1.00 0.00 H new ATOM 979 N ARG A 64 37.933 -6.842 6.558 1.00 0.00 N ATOM 980 CA ARG A 64 37.929 -6.823 8.025 1.00 0.00 C ATOM 981 C ARG A 64 38.384 -5.437 8.549 1.00 0.00 C ATOM 982 O ARG A 64 37.716 -4.841 9.408 1.00 0.00 O ATOM 983 CB ARG A 64 38.833 -7.991 8.534 1.00 0.00 C ATOM 984 CG ARG A 64 38.497 -8.566 9.932 1.00 0.00 C ATOM 985 CD ARG A 64 38.970 -7.712 11.115 1.00 0.00 C ATOM 986 NE ARG A 64 38.602 -8.362 12.388 1.00 0.00 N ATOM 987 CZ ARG A 64 39.404 -8.583 13.436 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.682 -8.220 13.421 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.914 -9.193 14.503 1.00 0.00 N ATOM 0 H ARG A 64 38.721 -7.357 6.166 1.00 0.00 H new ATOM 0 HA ARG A 64 36.922 -6.977 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.781 -8.804 7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.866 -7.642 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.417 -8.695 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.943 -9.557 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.050 -7.576 11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.521 -6.720 11.061 1.00 0.00 H new ATOM 0 HE ARG A 64 37.636 -8.675 12.478 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.072 -7.762 12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.273 -8.400 14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.938 -9.488 14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.513 -9.369 15.310 1.00 0.00 H new ATOM 1003 N GLU A 65 39.518 -4.928 8.012 1.00 0.00 N ATOM 1004 CA GLU A 65 40.077 -3.614 8.419 1.00 0.00 C ATOM 1005 C GLU A 65 39.180 -2.445 7.950 1.00 0.00 C ATOM 1006 O GLU A 65 38.983 -1.477 8.691 1.00 0.00 O ATOM 1007 CB GLU A 65 41.540 -3.412 7.907 1.00 0.00 C ATOM 1008 CG GLU A 65 41.725 -3.574 6.385 1.00 0.00 C ATOM 1009 CD GLU A 65 43.087 -3.097 5.844 1.00 0.00 C ATOM 1010 OE1 GLU A 65 44.123 -3.717 6.155 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.126 -2.092 5.111 1.00 0.00 O ATOM 0 H GLU A 65 40.065 -5.406 7.296 1.00 0.00 H new ATOM 0 HA GLU A 65 40.102 -3.614 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.875 -2.416 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.189 -4.126 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.596 -4.625 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.935 -3.022 5.877 1.00 0.00 H new ATOM 1018 N LEU A 66 38.636 -2.530 6.721 1.00 0.00 N ATOM 1019 CA LEU A 66 37.749 -1.476 6.182 1.00 0.00 C ATOM 1020 C LEU A 66 36.304 -1.672 6.695 1.00 0.00 C ATOM 1021 O LEU A 66 35.489 -0.751 6.623 1.00 0.00 O ATOM 1022 CB LEU A 66 37.855 -1.389 4.621 1.00 0.00 C ATOM 1023 CG LEU A 66 37.081 -2.452 3.755 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.637 -2.013 3.457 1.00 0.00 C ATOM 1025 CD2 LEU A 66 37.826 -2.781 2.441 1.00 0.00 C ATOM 0 H LEU A 66 38.793 -3.312 6.085 1.00 0.00 H new ATOM 0 HA LEU A 66 38.080 -0.506 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.509 -0.400 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.911 -1.451 4.356 1.00 0.00 H new ATOM 0 HG LEU A 66 37.039 -3.361 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.141 -2.776 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.096 -1.880 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.649 -1.071 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.257 -3.518 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.935 -1.873 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.812 -3.184 2.673 1.00 0.00 H new ATOM 1037 N GLY A 67 36.008 -2.886 7.203 1.00 0.00 N ATOM 1038 CA GLY A 67 34.718 -3.189 7.835 1.00 0.00 C ATOM 1039 C GLY A 67 34.570 -2.524 9.200 1.00 0.00 C ATOM 1040 O GLY A 67 33.516 -1.949 9.516 1.00 0.00 O ATOM 0 H GLY A 67 36.654 -3.675 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.910 -2.858 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.615 -4.268 7.946 1.00 0.00 H new ATOM 1044 N ARG A 68 35.649 -2.595 10.014 1.00 0.00 N ATOM 1045 CA ARG A 68 35.720 -1.878 11.303 1.00 0.00 C ATOM 1046 C ARG A 68 35.863 -0.366 11.054 1.00 0.00 C ATOM 1047 O ARG A 68 35.391 0.450 11.853 1.00 0.00 O ATOM 1048 CB ARG A 68 36.884 -2.397 12.202 1.00 0.00 C ATOM 1049 CG ARG A 68 38.305 -2.081 11.688 1.00 0.00 C ATOM 1050 CD ARG A 68 39.417 -2.483 12.669 1.00 0.00 C ATOM 1051 NE ARG A 68 40.757 -2.095 12.170 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.503 -1.085 12.646 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.037 -0.277 13.602 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.712 -0.875 12.154 1.00 0.00 N ATOM 0 H ARG A 68 36.482 -3.143 9.798 1.00 0.00 H new ATOM 0 HA ARG A 68 34.792 -2.071 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.772 -1.968 13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.786 -3.477 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.463 -2.597 10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.380 -1.013 11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.238 -2.011 13.635 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.387 -3.561 12.831 1.00 0.00 H new ATOM 0 HE ARG A 68 41.145 -2.641 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.102 -0.423 13.982 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.617 0.486 13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 68 43.074 -1.479 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.282 -0.109 12.512 1.00 0.00 H new ATOM 1068 N LYS A 69 36.517 -0.003 9.927 1.00 0.00 N ATOM 1069 CA LYS A 69 36.633 1.397 9.495 1.00 0.00 C ATOM 1070 C LYS A 69 35.235 1.957 9.220 1.00 0.00 C ATOM 1071 O LYS A 69 34.944 3.068 9.626 1.00 0.00 O ATOM 1072 CB LYS A 69 37.509 1.540 8.229 1.00 0.00 C ATOM 1073 CG LYS A 69 37.684 2.999 7.736 1.00 0.00 C ATOM 1074 CD LYS A 69 38.424 3.098 6.386 1.00 0.00 C ATOM 1075 CE LYS A 69 39.805 2.437 6.418 1.00 0.00 C ATOM 1076 NZ LYS A 69 40.549 2.627 5.151 1.00 0.00 N ATOM 0 H LYS A 69 36.972 -0.668 9.302 1.00 0.00 H new ATOM 0 HA LYS A 69 37.116 1.958 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.493 1.117 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.067 0.948 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.703 3.464 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.234 3.566 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.819 2.629 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 69 38.535 4.148 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 69 40.385 2.852 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.691 1.371 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 41.477 2.163 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 40.010 2.209 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 40.683 3.643 4.976 1.00 0.00 H new ATOM 1090 N TRP A 70 34.378 1.148 8.559 1.00 0.00 N ATOM 1091 CA TRP A 70 32.971 1.504 8.284 1.00 0.00 C ATOM 1092 C TRP A 70 32.217 1.789 9.594 1.00 0.00 C ATOM 1093 O TRP A 70 31.481 2.773 9.693 1.00 0.00 O ATOM 1094 CB TRP A 70 32.246 0.393 7.483 1.00 0.00 C ATOM 1095 CG TRP A 70 30.749 0.623 7.352 1.00 0.00 C ATOM 1096 CD1 TRP A 70 30.123 1.570 6.592 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.704 -0.087 8.034 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.767 1.462 6.730 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.485 0.457 7.610 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.687 -1.142 8.952 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.261 -0.009 8.069 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.468 -1.608 9.406 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.269 -1.040 8.965 1.00 0.00 C ATOM 0 H TRP A 70 34.644 0.230 8.202 1.00 0.00 H new ATOM 0 HA TRP A 70 32.977 2.408 7.675 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.685 0.328 6.487 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.417 -0.567 7.970 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.626 2.298 5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 70 28.076 2.040 6.252 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.609 -1.584 9.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.334 0.429 7.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.441 -2.424 10.113 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.332 -1.424 9.340 1.00 0.00 H new ATOM 1114 N LEU A 71 32.423 0.913 10.592 1.00 0.00 N ATOM 1115 CA LEU A 71 31.844 1.071 11.943 1.00 0.00 C ATOM 1116 C LEU A 71 32.260 2.414 12.590 1.00 0.00 C ATOM 1117 O LEU A 71 31.520 2.979 13.408 1.00 0.00 O ATOM 1118 CB LEU A 71 32.255 -0.133 12.836 1.00 0.00 C ATOM 1119 CG LEU A 71 31.637 -1.513 12.430 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.287 -2.675 13.209 1.00 0.00 C ATOM 1121 CD2 LEU A 71 30.102 -1.511 12.621 1.00 0.00 C ATOM 0 H LEU A 71 32.995 0.075 10.488 1.00 0.00 H new ATOM 0 HA LEU A 71 30.758 1.087 11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.341 -0.222 12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.969 0.085 13.865 1.00 0.00 H new ATOM 0 HG LEU A 71 31.847 -1.667 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.834 -3.617 12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.356 -2.701 12.999 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.131 -2.529 14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 71 29.698 -2.481 12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 29.866 -1.317 13.667 1.00 0.00 H new ATOM 0 HD23 LEU A 71 29.659 -0.733 11.999 1.00 0.00 H new ATOM 1133 N GLU A 72 33.444 2.915 12.199 1.00 0.00 N ATOM 1134 CA GLU A 72 33.923 4.252 12.596 1.00 0.00 C ATOM 1135 C GLU A 72 33.329 5.360 11.677 1.00 0.00 C ATOM 1136 O GLU A 72 33.011 6.439 12.159 1.00 0.00 O ATOM 1137 CB GLU A 72 35.476 4.284 12.575 1.00 0.00 C ATOM 1138 CG GLU A 72 36.106 5.599 13.082 1.00 0.00 C ATOM 1139 CD GLU A 72 37.643 5.574 13.095 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.221 4.945 14.008 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.276 6.183 12.205 1.00 0.00 O ATOM 0 H GLU A 72 34.095 2.407 11.600 1.00 0.00 H new ATOM 0 HA GLU A 72 33.582 4.455 13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 35.850 3.461 13.184 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.815 4.106 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.769 6.422 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.745 5.801 14.090 1.00 0.00 H new