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 -57:sc= 1.17 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -127:sc= 1.22 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= 0.628 (180deg=-0.0624) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -80:sc= 0.542 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -106:sc= 0.534 (180deg=-0.394) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0695 (180deg=-0.419) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 149:sc= -0.284 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0268 (180deg=-0.248) USER MOD Single : A 47 SER OG : rot -108:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.797 -10.810 2.892 1.00 0.00 N ATOM 124 CA MET A 9 19.267 -11.810 1.925 1.00 0.00 C ATOM 125 C MET A 9 20.456 -12.583 2.523 1.00 0.00 C ATOM 126 O MET A 9 21.441 -11.979 2.973 1.00 0.00 O ATOM 127 CB MET A 9 19.678 -11.127 0.595 1.00 0.00 C ATOM 128 CG MET A 9 18.546 -10.390 -0.135 1.00 0.00 C ATOM 129 SD MET A 9 19.113 -9.603 -1.662 1.00 0.00 S ATOM 130 CE MET A 9 17.609 -8.835 -2.258 1.00 0.00 C ATOM 0 HA MET A 9 18.458 -12.508 1.711 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.479 -10.417 0.801 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.088 -11.885 -0.073 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.747 -11.094 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.123 -9.633 0.526 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.812 -8.314 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.851 -9.601 -2.426 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.246 -8.122 -1.518 1.00 0.00 H new ATOM 140 N TYR A 10 20.353 -13.916 2.523 1.00 0.00 N ATOM 141 CA TYR A 10 21.362 -14.806 3.121 1.00 0.00 C ATOM 142 C TYR A 10 22.589 -14.910 2.199 1.00 0.00 C ATOM 143 O TYR A 10 22.499 -15.456 1.096 1.00 0.00 O ATOM 144 CB TYR A 10 20.746 -16.202 3.382 1.00 0.00 C ATOM 145 CG TYR A 10 19.534 -16.167 4.324 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.243 -15.961 3.831 1.00 0.00 C ATOM 147 CD2 TYR A 10 19.679 -16.334 5.704 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.149 -15.924 4.675 1.00 0.00 C ATOM 149 CE2 TYR A 10 18.584 -16.298 6.547 1.00 0.00 C ATOM 150 CZ TYR A 10 17.326 -16.095 6.030 1.00 0.00 C ATOM 151 OH TYR A 10 16.237 -16.063 6.871 1.00 0.00 O ATOM 0 H TYR A 10 19.565 -14.413 2.107 1.00 0.00 H new ATOM 0 HA TYR A 10 21.687 -14.390 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.445 -16.642 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.509 -16.854 3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.097 -15.828 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.663 -16.494 6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.160 -15.762 4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 10 18.716 -16.429 7.611 1.00 0.00 H new ATOM 0 HH TYR A 10 16.533 -16.201 7.795 1.00 0.00 H new ATOM 161 N VAL A 11 23.720 -14.355 2.653 1.00 0.00 N ATOM 162 CA VAL A 11 24.962 -14.318 1.875 1.00 0.00 C ATOM 163 C VAL A 11 25.685 -15.680 1.973 1.00 0.00 C ATOM 164 O VAL A 11 26.131 -16.078 3.050 1.00 0.00 O ATOM 165 CB VAL A 11 25.894 -13.150 2.365 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.204 -13.077 1.541 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.142 -11.792 2.337 1.00 0.00 C ATOM 0 H VAL A 11 23.798 -13.919 3.572 1.00 0.00 H new ATOM 0 HA VAL A 11 24.716 -14.129 0.830 1.00 0.00 H new ATOM 0 HB VAL A 11 26.171 -13.365 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.821 -12.258 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.750 -14.015 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.965 -12.907 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.808 -11.000 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.817 -11.577 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.272 -11.844 2.992 1.00 0.00 H new ATOM 177 N PHE A 12 25.734 -16.410 0.849 1.00 0.00 N ATOM 178 CA PHE A 12 26.467 -17.683 0.729 1.00 0.00 C ATOM 179 C PHE A 12 27.789 -17.464 -0.030 1.00 0.00 C ATOM 180 O PHE A 12 27.784 -16.955 -1.150 1.00 0.00 O ATOM 181 CB PHE A 12 25.603 -18.747 -0.012 1.00 0.00 C ATOM 182 CG PHE A 12 24.377 -19.214 0.773 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.166 -18.532 0.693 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.443 -20.335 1.601 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.064 -18.956 1.416 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.340 -20.757 2.320 1.00 0.00 C ATOM 187 CZ PHE A 12 22.152 -20.066 2.229 1.00 0.00 C ATOM 0 H PHE A 12 25.262 -16.132 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 12 26.686 -18.048 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.274 -18.332 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.227 -19.612 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.085 -17.661 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.371 -20.882 1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.132 -18.415 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.410 -21.629 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.291 -20.393 2.793 1.00 0.00 H new ATOM 197 N LYS A 13 28.914 -17.856 0.591 1.00 0.00 N ATOM 198 CA LYS A 13 30.229 -17.892 -0.060 1.00 0.00 C ATOM 199 C LYS A 13 30.289 -19.148 -0.952 1.00 0.00 C ATOM 200 O LYS A 13 30.700 -20.238 -0.523 1.00 0.00 O ATOM 201 CB LYS A 13 31.349 -17.847 1.018 1.00 0.00 C ATOM 202 CG LYS A 13 32.790 -18.002 0.494 1.00 0.00 C ATOM 203 CD LYS A 13 33.842 -17.878 1.622 1.00 0.00 C ATOM 204 CE LYS A 13 35.242 -18.327 1.173 1.00 0.00 C ATOM 205 NZ LYS A 13 35.281 -19.784 0.855 1.00 0.00 N ATOM 0 H LYS A 13 28.934 -18.158 1.565 1.00 0.00 H new ATOM 0 HA LYS A 13 30.385 -17.022 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.276 -16.899 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.160 -18.637 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.895 -18.972 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.982 -17.243 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.887 -16.843 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.528 -18.479 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.543 -17.755 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.964 -18.107 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.204 -20.175 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.527 -20.274 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.139 -19.920 -0.166 1.00 0.00 H new ATOM 219 N GLY A 14 29.776 -18.985 -2.181 1.00 0.00 N ATOM 220 CA GLY A 14 29.615 -20.083 -3.120 1.00 0.00 C ATOM 221 C GLY A 14 28.438 -20.949 -2.709 1.00 0.00 C ATOM 222 O GLY A 14 27.285 -20.630 -3.023 1.00 0.00 O ATOM 0 H GLY A 14 29.464 -18.084 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.456 -19.692 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.525 -20.682 -3.151 1.00 0.00 H new ATOM 226 N GLU A 15 28.737 -22.025 -1.964 1.00 0.00 N ATOM 227 CA GLU A 15 27.732 -22.972 -1.442 1.00 0.00 C ATOM 228 C GLU A 15 27.613 -22.849 0.092 1.00 0.00 C ATOM 229 O GLU A 15 26.540 -23.090 0.653 1.00 0.00 O ATOM 230 CB GLU A 15 28.135 -24.419 -1.829 1.00 0.00 C ATOM 231 CG GLU A 15 28.351 -24.638 -3.338 1.00 0.00 C ATOM 232 CD GLU A 15 28.898 -26.036 -3.675 1.00 0.00 C ATOM 233 OE1 GLU A 15 30.084 -26.293 -3.395 1.00 0.00 O ATOM 234 OE2 GLU A 15 28.154 -26.879 -4.232 1.00 0.00 O ATOM 0 H GLU A 15 29.693 -22.267 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 15 26.763 -22.734 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.052 -24.681 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.361 -25.104 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.405 -24.490 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 15 29.043 -23.884 -3.713 1.00 0.00 H new ATOM 241 N GLU A 16 28.725 -22.474 0.768 1.00 0.00 N ATOM 242 CA GLU A 16 28.772 -22.419 2.249 1.00 0.00 C ATOM 243 C GLU A 16 28.059 -21.146 2.747 1.00 0.00 C ATOM 244 O GLU A 16 28.160 -20.087 2.119 1.00 0.00 O ATOM 245 CB GLU A 16 30.241 -22.478 2.783 1.00 0.00 C ATOM 246 CG GLU A 16 31.095 -21.230 2.482 1.00 0.00 C ATOM 247 CD GLU A 16 32.575 -21.371 2.882 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.921 -21.099 4.052 1.00 0.00 O ATOM 249 OE2 GLU A 16 33.405 -21.742 2.018 1.00 0.00 O ATOM 0 H GLU A 16 29.598 -22.206 0.314 1.00 0.00 H new ATOM 0 HA GLU A 16 28.253 -23.295 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.213 -22.629 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.734 -23.349 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.037 -21.012 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.668 -20.375 3.006 1.00 0.00 H new ATOM 256 N SER A 17 27.315 -21.270 3.859 1.00 0.00 N ATOM 257 CA SER A 17 26.623 -20.134 4.484 1.00 0.00 C ATOM 258 C SER A 17 27.666 -19.199 5.127 1.00 0.00 C ATOM 259 O SER A 17 28.316 -19.574 6.107 1.00 0.00 O ATOM 260 CB SER A 17 25.601 -20.646 5.530 1.00 0.00 C ATOM 261 OG SER A 17 24.791 -19.593 6.017 1.00 0.00 O ATOM 0 H SER A 17 27.178 -22.156 4.346 1.00 0.00 H new ATOM 0 HA SER A 17 26.071 -19.572 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.971 -21.414 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.131 -21.114 6.360 1.00 0.00 H new ATOM 0 HG SER A 17 24.155 -19.946 6.674 1.00 0.00 H new ATOM 267 N PHE A 18 27.867 -18.015 4.521 1.00 0.00 N ATOM 268 CA PHE A 18 28.874 -17.044 4.979 1.00 0.00 C ATOM 269 C PHE A 18 28.295 -16.155 6.098 1.00 0.00 C ATOM 270 O PHE A 18 28.854 -16.091 7.202 1.00 0.00 O ATOM 271 CB PHE A 18 29.367 -16.188 3.776 1.00 0.00 C ATOM 272 CG PHE A 18 30.445 -15.162 4.126 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.682 -15.569 4.629 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.217 -13.794 3.972 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.651 -14.642 4.963 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.188 -12.868 4.307 1.00 0.00 C ATOM 277 CZ PHE A 18 32.403 -13.293 4.803 1.00 0.00 C ATOM 0 H PHE A 18 27.339 -17.707 3.705 1.00 0.00 H new ATOM 0 HA PHE A 18 29.728 -17.581 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.755 -16.855 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.513 -15.666 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.884 -16.622 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.268 -13.453 3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.604 -14.973 5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.995 -11.813 4.180 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.161 -12.570 5.066 1.00 0.00 H new ATOM 287 N GLY A 19 27.161 -15.497 5.802 1.00 0.00 N ATOM 288 CA GLY A 19 26.526 -14.568 6.734 1.00 0.00 C ATOM 289 C GLY A 19 25.195 -14.042 6.209 1.00 0.00 C ATOM 290 O GLY A 19 24.482 -14.746 5.481 1.00 0.00 O ATOM 0 H GLY A 19 26.667 -15.597 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.365 -15.068 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.197 -13.730 6.922 1.00 0.00 H new ATOM 294 N GLU A 20 24.876 -12.782 6.555 1.00 0.00 N ATOM 295 CA GLU A 20 23.587 -12.141 6.223 1.00 0.00 C ATOM 296 C GLU A 20 23.809 -10.669 5.815 1.00 0.00 C ATOM 297 O GLU A 20 24.711 -10.006 6.342 1.00 0.00 O ATOM 298 CB GLU A 20 22.634 -12.248 7.452 1.00 0.00 C ATOM 299 CG GLU A 20 23.181 -11.601 8.745 1.00 0.00 C ATOM 300 CD GLU A 20 22.354 -11.918 9.999 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.169 -11.517 10.062 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.882 -12.566 10.934 1.00 0.00 O ATOM 0 H GLU A 20 25.508 -12.174 7.076 1.00 0.00 H new ATOM 0 HA GLU A 20 23.129 -12.651 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.683 -11.779 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.429 -13.301 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.205 -11.938 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.219 -10.520 8.611 1.00 0.00 H new ATOM 309 N SER A 21 22.997 -10.171 4.862 1.00 0.00 N ATOM 310 CA SER A 21 23.068 -8.770 4.403 1.00 0.00 C ATOM 311 C SER A 21 22.401 -7.844 5.442 1.00 0.00 C ATOM 312 O SER A 21 21.183 -7.912 5.661 1.00 0.00 O ATOM 313 CB SER A 21 22.407 -8.624 3.008 1.00 0.00 C ATOM 314 OG SER A 21 21.041 -8.999 3.039 1.00 0.00 O ATOM 0 H SER A 21 22.279 -10.723 4.392 1.00 0.00 H new ATOM 0 HA SER A 21 24.113 -8.476 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.494 -7.592 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.939 -9.243 2.286 1.00 0.00 H new ATOM 0 HG SER A 21 20.969 -9.976 3.005 1.00 0.00 H new ATOM 320 N ILE A 22 23.216 -7.014 6.103 1.00 0.00 N ATOM 321 CA ILE A 22 22.754 -6.087 7.159 1.00 0.00 C ATOM 322 C ILE A 22 22.778 -4.629 6.640 1.00 0.00 C ATOM 323 O ILE A 22 21.840 -3.863 6.898 1.00 0.00 O ATOM 324 CB ILE A 22 23.615 -6.295 8.479 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.209 -5.343 9.672 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.124 -6.215 8.183 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.915 -3.980 9.737 1.00 0.00 C ATOM 0 H ILE A 22 24.219 -6.961 5.925 1.00 0.00 H new ATOM 0 HA ILE A 22 21.719 -6.307 7.420 1.00 0.00 H new ATOM 0 HB ILE A 22 23.382 -7.303 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.135 -5.168 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.399 -5.870 10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.684 -6.361 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.396 -6.990 7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.362 -5.236 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.550 -3.422 10.599 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.990 -4.131 9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.707 -3.419 8.826 1.00 0.00 H new ATOM 339 N ASP A 23 23.833 -4.265 5.874 1.00 0.00 N ATOM 340 CA ASP A 23 24.036 -2.875 5.386 1.00 0.00 C ATOM 341 C ASP A 23 24.748 -2.900 4.012 1.00 0.00 C ATOM 342 O ASP A 23 25.334 -3.923 3.639 1.00 0.00 O ATOM 343 CB ASP A 23 24.856 -2.078 6.448 1.00 0.00 C ATOM 344 CG ASP A 23 25.014 -0.575 6.149 1.00 0.00 C ATOM 345 OD1 ASP A 23 25.988 -0.180 5.468 1.00 0.00 O ATOM 346 OD2 ASP A 23 24.177 0.232 6.617 1.00 0.00 O ATOM 0 H ASP A 23 24.561 -4.915 5.578 1.00 0.00 H new ATOM 0 HA ASP A 23 23.076 -2.377 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.374 -2.192 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.847 -2.524 6.530 1.00 0.00 H new ATOM 351 N VAL A 24 24.655 -1.787 3.247 1.00 0.00 N ATOM 352 CA VAL A 24 25.352 -1.615 1.949 1.00 0.00 C ATOM 353 C VAL A 24 25.883 -0.166 1.875 1.00 0.00 C ATOM 354 O VAL A 24 25.078 0.774 1.912 1.00 0.00 O ATOM 355 CB VAL A 24 24.399 -1.852 0.695 1.00 0.00 C ATOM 356 CG1 VAL A 24 25.211 -1.876 -0.626 1.00 0.00 C ATOM 357 CG2 VAL A 24 23.534 -3.125 0.843 1.00 0.00 C ATOM 0 H VAL A 24 24.092 -0.979 3.513 1.00 0.00 H new ATOM 0 HA VAL A 24 26.150 -2.356 1.905 1.00 0.00 H new ATOM 0 HB VAL A 24 23.711 -1.008 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 24 24.535 -2.039 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 24 25.725 -0.924 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 24 25.944 -2.682 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 24 22.903 -3.240 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 24 24.182 -3.996 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 24 22.906 -3.037 1.730 1.00 0.00 H new ATOM 367 N TYR A 25 27.210 0.030 1.766 1.00 0.00 N ATOM 368 CA TYR A 25 27.796 1.387 1.594 1.00 0.00 C ATOM 369 C TYR A 25 28.830 1.361 0.444 1.00 0.00 C ATOM 370 O TYR A 25 29.723 0.502 0.420 1.00 0.00 O ATOM 371 CB TYR A 25 28.412 1.925 2.938 1.00 0.00 C ATOM 372 CG TYR A 25 29.865 1.500 3.245 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.189 0.181 3.555 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.918 2.426 3.206 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.495 -0.198 3.812 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.221 2.045 3.458 1.00 0.00 C ATOM 377 CZ TYR A 25 32.506 0.735 3.763 1.00 0.00 C ATOM 378 OH TYR A 25 33.812 0.352 4.012 1.00 0.00 O ATOM 0 H TYR A 25 27.898 -0.723 1.793 1.00 0.00 H new ATOM 0 HA TYR A 25 27.003 2.085 1.325 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.371 3.014 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.778 1.595 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.405 -0.561 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.705 3.459 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.721 -1.227 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.016 2.775 3.416 1.00 0.00 H new ATOM 0 HH TYR A 25 33.868 -0.064 4.897 1.00 0.00 H new ATOM 388 N GLY A 26 28.664 2.281 -0.530 1.00 0.00 N ATOM 389 CA GLY A 26 29.602 2.430 -1.650 1.00 0.00 C ATOM 390 C GLY A 26 29.736 1.171 -2.503 1.00 0.00 C ATOM 391 O GLY A 26 28.745 0.671 -3.055 1.00 0.00 O ATOM 0 H GLY A 26 27.881 2.934 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.273 3.254 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.583 2.700 -1.259 1.00 0.00 H new ATOM 395 N ASP A 27 30.970 0.636 -2.571 1.00 0.00 N ATOM 396 CA ASP A 27 31.293 -0.578 -3.349 1.00 0.00 C ATOM 397 C ASP A 27 31.424 -1.813 -2.434 1.00 0.00 C ATOM 398 O ASP A 27 32.049 -2.812 -2.822 1.00 0.00 O ATOM 399 CB ASP A 27 32.605 -0.357 -4.162 1.00 0.00 C ATOM 400 CG ASP A 27 32.457 0.698 -5.278 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.640 1.907 -5.008 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.140 0.325 -6.431 1.00 0.00 O ATOM 0 H ASP A 27 31.775 1.034 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 27 30.473 -0.767 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.399 -0.048 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.915 -1.304 -4.604 1.00 0.00 H new ATOM 407 N TYR A 28 30.799 -1.765 -1.237 1.00 0.00 N ATOM 408 CA TYR A 28 30.905 -2.846 -0.233 1.00 0.00 C ATOM 409 C TYR A 28 29.526 -3.219 0.336 1.00 0.00 C ATOM 410 O TYR A 28 28.790 -2.361 0.834 1.00 0.00 O ATOM 411 CB TYR A 28 31.851 -2.430 0.923 1.00 0.00 C ATOM 412 CG TYR A 28 33.245 -2.015 0.442 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.149 -2.965 -0.039 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.639 -0.676 0.431 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.394 -2.592 -0.503 1.00 0.00 C ATOM 416 CE2 TYR A 28 34.880 -0.302 -0.038 1.00 0.00 C ATOM 417 CZ TYR A 28 35.754 -1.257 -0.501 1.00 0.00 C ATOM 418 OH TYR A 28 36.997 -0.873 -0.966 1.00 0.00 O ATOM 0 H TYR A 28 30.213 -0.984 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 28 31.319 -3.719 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.402 -1.602 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 28 31.947 -3.261 1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.869 -4.008 -0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 28 32.960 0.080 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.084 -3.339 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.165 0.740 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 28 37.086 0.100 -0.895 1.00 0.00 H new ATOM 428 N LEU A 29 29.195 -4.512 0.235 1.00 0.00 N ATOM 429 CA LEU A 29 28.064 -5.121 0.934 1.00 0.00 C ATOM 430 C LEU A 29 28.530 -5.524 2.347 1.00 0.00 C ATOM 431 O LEU A 29 29.355 -6.435 2.493 1.00 0.00 O ATOM 432 CB LEU A 29 27.560 -6.374 0.150 1.00 0.00 C ATOM 433 CG LEU A 29 26.424 -7.209 0.832 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.092 -6.439 0.870 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.252 -8.590 0.155 1.00 0.00 C ATOM 0 H LEU A 29 29.715 -5.172 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 29 27.239 -4.412 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.204 -6.046 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.411 -7.033 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 29 26.730 -7.381 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.330 -7.053 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.222 -5.515 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.779 -6.203 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.456 -9.143 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.995 -8.451 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.184 -9.150 0.229 1.00 0.00 H new ATOM 447 N ILE A 30 28.040 -4.809 3.372 1.00 0.00 N ATOM 448 CA ILE A 30 28.309 -5.145 4.778 1.00 0.00 C ATOM 449 C ILE A 30 27.543 -6.432 5.133 1.00 0.00 C ATOM 450 O ILE A 30 26.297 -6.434 5.216 1.00 0.00 O ATOM 451 CB ILE A 30 27.888 -3.980 5.756 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.667 -2.664 5.460 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.065 -4.385 7.240 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.129 -2.710 5.859 1.00 0.00 C ATOM 0 H ILE A 30 27.449 -3.986 3.250 1.00 0.00 H new ATOM 0 HA ILE A 30 29.382 -5.293 4.898 1.00 0.00 H new ATOM 0 HB ILE A 30 26.829 -3.794 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.598 -2.445 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.183 -1.841 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 30 27.765 -3.557 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.445 -5.255 7.456 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.110 -4.629 7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.601 -1.757 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.208 -2.896 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.630 -3.510 5.314 1.00 0.00 H new ATOM 466 N VAL A 31 28.298 -7.529 5.271 1.00 0.00 N ATOM 467 CA VAL A 31 27.770 -8.834 5.664 1.00 0.00 C ATOM 468 C VAL A 31 28.075 -9.080 7.153 1.00 0.00 C ATOM 469 O VAL A 31 29.242 -9.089 7.560 1.00 0.00 O ATOM 470 CB VAL A 31 28.388 -9.991 4.798 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.748 -11.352 5.151 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.267 -9.682 3.286 1.00 0.00 C ATOM 0 H VAL A 31 29.305 -7.531 5.110 1.00 0.00 H new ATOM 0 HA VAL A 31 26.693 -8.831 5.498 1.00 0.00 H new ATOM 0 HB VAL A 31 29.450 -10.057 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.194 -12.134 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.922 -11.574 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.675 -11.310 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.703 -10.499 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.216 -9.572 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.797 -8.757 3.060 1.00 0.00 H new ATOM 482 N LYS A 32 27.019 -9.251 7.954 1.00 0.00 N ATOM 483 CA LYS A 32 27.137 -9.595 9.376 1.00 0.00 C ATOM 484 C LYS A 32 27.501 -11.086 9.516 1.00 0.00 C ATOM 485 O LYS A 32 26.717 -11.963 9.131 1.00 0.00 O ATOM 486 CB LYS A 32 25.812 -9.252 10.107 1.00 0.00 C ATOM 487 CG LYS A 32 25.729 -9.680 11.586 1.00 0.00 C ATOM 488 CD LYS A 32 26.895 -9.146 12.454 1.00 0.00 C ATOM 489 CE LYS A 32 26.739 -9.531 13.932 1.00 0.00 C ATOM 490 NZ LYS A 32 26.521 -10.995 14.122 1.00 0.00 N ATOM 0 H LYS A 32 26.055 -9.155 7.635 1.00 0.00 H new ATOM 0 HA LYS A 32 27.932 -9.012 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.657 -8.174 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 32 24.990 -9.720 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.786 -9.329 12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.716 -10.769 11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.838 -9.540 12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.944 -8.061 12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.631 -9.226 14.480 1.00 0.00 H new ATOM 0 HE3 LYS A 32 25.899 -8.983 14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.526 -11.169 14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.752 -11.498 13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 27.133 -11.341 14.888 1.00 0.00 H new ATOM 504 N VAL A 33 28.719 -11.344 10.027 1.00 0.00 N ATOM 505 CA VAL A 33 29.253 -12.698 10.245 1.00 0.00 C ATOM 506 C VAL A 33 29.693 -12.847 11.717 1.00 0.00 C ATOM 507 O VAL A 33 30.446 -12.013 12.234 1.00 0.00 O ATOM 508 CB VAL A 33 30.461 -13.012 9.268 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.999 -13.000 7.794 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.639 -12.025 9.464 1.00 0.00 C ATOM 0 H VAL A 33 29.367 -10.607 10.303 1.00 0.00 H new ATOM 0 HA VAL A 33 28.465 -13.418 10.027 1.00 0.00 H new ATOM 0 HB VAL A 33 30.818 -14.011 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.847 -13.218 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.227 -13.756 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.596 -12.018 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.444 -12.278 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.298 -11.008 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.004 -12.093 10.489 1.00 0.00 H new ATOM 520 N GLY A 34 29.183 -13.892 12.395 1.00 0.00 N ATOM 521 CA GLY A 34 29.543 -14.192 13.789 1.00 0.00 C ATOM 522 C GLY A 34 29.203 -13.057 14.765 1.00 0.00 C ATOM 523 O GLY A 34 28.085 -12.984 15.283 1.00 0.00 O ATOM 0 H GLY A 34 28.513 -14.548 11.992 1.00 0.00 H new ATOM 0 HA2 GLY A 34 29.025 -15.098 14.103 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.612 -14.400 13.844 1.00 0.00 H new ATOM 527 N THR A 35 30.178 -12.157 14.983 1.00 0.00 N ATOM 528 CA THR A 35 30.054 -10.994 15.886 1.00 0.00 C ATOM 529 C THR A 35 30.387 -9.675 15.135 1.00 0.00 C ATOM 530 O THR A 35 29.897 -8.597 15.498 1.00 0.00 O ATOM 531 CB THR A 35 31.009 -11.189 17.117 1.00 0.00 C ATOM 532 OG1 THR A 35 30.751 -12.477 17.712 1.00 0.00 O ATOM 533 CG2 THR A 35 30.834 -10.098 18.190 1.00 0.00 C ATOM 0 H THR A 35 31.090 -12.216 14.530 1.00 0.00 H new ATOM 0 HA THR A 35 29.025 -10.923 16.238 1.00 0.00 H new ATOM 0 HB THR A 35 32.032 -11.120 16.748 1.00 0.00 H new ATOM 0 HG1 THR A 35 31.345 -12.607 18.481 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.520 -10.286 19.016 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.049 -9.122 17.755 1.00 0.00 H new ATOM 0 HG23 THR A 35 29.809 -10.113 18.560 1.00 0.00 H new ATOM 541 N GLU A 36 31.173 -9.791 14.047 1.00 0.00 N ATOM 542 CA GLU A 36 31.748 -8.633 13.319 1.00 0.00 C ATOM 543 C GLU A 36 31.105 -8.471 11.925 1.00 0.00 C ATOM 544 O GLU A 36 30.226 -9.242 11.534 1.00 0.00 O ATOM 545 CB GLU A 36 33.292 -8.812 13.220 1.00 0.00 C ATOM 546 CG GLU A 36 33.744 -10.089 12.483 1.00 0.00 C ATOM 547 CD GLU A 36 35.248 -10.371 12.648 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.071 -9.704 11.985 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.612 -11.240 13.475 1.00 0.00 O ATOM 0 H GLU A 36 31.430 -10.692 13.644 1.00 0.00 H new ATOM 0 HA GLU A 36 31.531 -7.718 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.713 -7.946 12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.709 -8.823 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.176 -10.940 12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.511 -9.993 11.423 1.00 0.00 H new ATOM 556 N PHE A 37 31.548 -7.436 11.193 1.00 0.00 N ATOM 557 CA PHE A 37 30.989 -7.070 9.879 1.00 0.00 C ATOM 558 C PHE A 37 32.089 -7.162 8.795 1.00 0.00 C ATOM 559 O PHE A 37 33.039 -6.372 8.790 1.00 0.00 O ATOM 560 CB PHE A 37 30.391 -5.635 9.942 1.00 0.00 C ATOM 561 CG PHE A 37 29.259 -5.461 10.969 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.535 -5.128 12.299 1.00 0.00 C ATOM 563 CD2 PHE A 37 27.923 -5.633 10.608 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.517 -4.972 13.223 1.00 0.00 C ATOM 565 CE2 PHE A 37 26.905 -5.476 11.535 1.00 0.00 C ATOM 566 CZ PHE A 37 27.203 -5.147 12.840 1.00 0.00 C ATOM 0 H PHE A 37 32.307 -6.826 11.496 1.00 0.00 H new ATOM 0 HA PHE A 37 30.191 -7.765 9.618 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.190 -4.932 10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.013 -5.369 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.560 -4.990 12.610 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.678 -5.893 9.589 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.751 -4.713 14.245 1.00 0.00 H new ATOM 0 HE2 PHE A 37 25.877 -5.612 11.235 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.409 -5.026 13.562 1.00 0.00 H new ATOM 576 N LEU A 38 31.953 -8.162 7.907 1.00 0.00 N ATOM 577 CA LEU A 38 32.834 -8.363 6.738 1.00 0.00 C ATOM 578 C LEU A 38 32.238 -7.631 5.526 1.00 0.00 C ATOM 579 O LEU A 38 31.230 -8.072 4.954 1.00 0.00 O ATOM 580 CB LEU A 38 33.008 -9.900 6.464 1.00 0.00 C ATOM 581 CG LEU A 38 34.313 -10.570 7.019 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.520 -10.271 6.115 1.00 0.00 C ATOM 583 CD2 LEU A 38 34.600 -10.153 8.484 1.00 0.00 C ATOM 0 H LEU A 38 31.218 -8.865 7.980 1.00 0.00 H new ATOM 0 HA LEU A 38 33.823 -7.949 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.150 -10.421 6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 38 32.975 -10.060 5.386 1.00 0.00 H new ATOM 0 HG LEU A 38 34.146 -11.647 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.409 -10.749 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.330 -10.658 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.678 -9.194 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.512 -10.640 8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.723 -9.071 8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.766 -10.454 9.118 1.00 0.00 H new ATOM 595 N ALA A 39 32.856 -6.497 5.157 1.00 0.00 N ATOM 596 CA ALA A 39 32.412 -5.670 4.026 1.00 0.00 C ATOM 597 C ALA A 39 32.975 -6.234 2.717 1.00 0.00 C ATOM 598 O ALA A 39 34.094 -5.891 2.312 1.00 0.00 O ATOM 599 CB ALA A 39 32.858 -4.214 4.238 1.00 0.00 C ATOM 0 H ALA A 39 33.678 -6.129 5.636 1.00 0.00 H new ATOM 0 HA ALA A 39 31.324 -5.689 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.526 -3.606 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.420 -3.830 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.945 -4.173 4.309 1.00 0.00 H new ATOM 605 N VAL A 40 32.195 -7.105 2.060 1.00 0.00 N ATOM 606 CA VAL A 40 32.634 -7.793 0.836 1.00 0.00 C ATOM 607 C VAL A 40 32.480 -6.849 -0.384 1.00 0.00 C ATOM 608 O VAL A 40 31.458 -6.166 -0.505 1.00 0.00 O ATOM 609 CB VAL A 40 31.860 -9.161 0.618 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.020 -10.082 1.852 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.362 -8.955 0.286 1.00 0.00 C ATOM 0 H VAL A 40 31.251 -7.351 2.358 1.00 0.00 H new ATOM 0 HA VAL A 40 33.688 -8.048 0.946 1.00 0.00 H new ATOM 0 HB VAL A 40 32.313 -9.643 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.482 -11.015 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.077 -10.297 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.614 -9.584 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.883 -9.924 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.877 -8.425 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.269 -8.370 -0.629 1.00 0.00 H new ATOM 621 N PRO A 41 33.506 -6.761 -1.291 1.00 0.00 N ATOM 622 CA PRO A 41 33.416 -5.936 -2.527 1.00 0.00 C ATOM 623 C PRO A 41 32.342 -6.482 -3.503 1.00 0.00 C ATOM 624 O PRO A 41 32.040 -7.679 -3.484 1.00 0.00 O ATOM 625 CB PRO A 41 34.847 -6.033 -3.126 1.00 0.00 C ATOM 626 CG PRO A 41 35.394 -7.319 -2.584 1.00 0.00 C ATOM 627 CD PRO A 41 34.830 -7.438 -1.183 1.00 0.00 C ATOM 0 HA PRO A 41 33.110 -4.908 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.822 -6.040 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.461 -5.183 -2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 41 35.093 -8.165 -3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.484 -7.307 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.726 -8.479 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.472 -6.953 -0.448 1.00 0.00 H new ATOM 635 N LYS A 42 31.790 -5.595 -4.359 1.00 0.00 N ATOM 636 CA LYS A 42 30.698 -5.940 -5.314 1.00 0.00 C ATOM 637 C LYS A 42 31.155 -6.992 -6.345 1.00 0.00 C ATOM 638 O LYS A 42 30.340 -7.778 -6.839 1.00 0.00 O ATOM 639 CB LYS A 42 30.178 -4.666 -6.044 1.00 0.00 C ATOM 640 CG LYS A 42 29.739 -3.516 -5.110 1.00 0.00 C ATOM 641 CD LYS A 42 28.545 -3.870 -4.184 1.00 0.00 C ATOM 642 CE LYS A 42 27.212 -3.983 -4.943 1.00 0.00 C ATOM 643 NZ LYS A 42 26.891 -2.728 -5.674 1.00 0.00 N ATOM 0 H LYS A 42 32.084 -4.620 -4.413 1.00 0.00 H new ATOM 0 HA LYS A 42 29.883 -6.370 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.962 -4.298 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 42 29.334 -4.945 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.587 -3.220 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.470 -2.652 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.751 -4.814 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.453 -3.108 -3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.263 -4.813 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.411 -4.211 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.883 -2.723 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 27.098 -1.910 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.467 -2.672 -6.538 1.00 0.00 H new ATOM 657 N LYS A 43 32.473 -7.003 -6.638 1.00 0.00 N ATOM 658 CA LYS A 43 33.094 -7.975 -7.568 1.00 0.00 C ATOM 659 C LYS A 43 33.020 -9.415 -7.017 1.00 0.00 C ATOM 660 O LYS A 43 33.124 -10.383 -7.782 1.00 0.00 O ATOM 661 CB LYS A 43 34.569 -7.594 -7.860 1.00 0.00 C ATOM 662 CG LYS A 43 35.499 -7.580 -6.620 1.00 0.00 C ATOM 663 CD LYS A 43 36.996 -7.392 -6.983 1.00 0.00 C ATOM 664 CE LYS A 43 37.283 -6.069 -7.720 1.00 0.00 C ATOM 665 NZ LYS A 43 36.945 -4.874 -6.901 1.00 0.00 N ATOM 0 H LYS A 43 33.137 -6.340 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 43 32.528 -7.938 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.972 -8.296 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 43 34.589 -6.607 -8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.190 -6.777 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.379 -8.515 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.591 -7.428 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.319 -8.225 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.337 -6.031 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.712 -6.043 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 37.156 -4.011 -7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.933 -4.893 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.509 -4.881 -6.027 1.00 0.00 H new ATOM 679 N SER A 44 32.862 -9.544 -5.686 1.00 0.00 N ATOM 680 CA SER A 44 32.680 -10.847 -5.040 1.00 0.00 C ATOM 681 C SER A 44 31.253 -11.366 -5.315 1.00 0.00 C ATOM 682 O SER A 44 31.090 -12.538 -5.664 1.00 0.00 O ATOM 683 CB SER A 44 32.954 -10.758 -3.519 1.00 0.00 C ATOM 684 OG SER A 44 32.950 -12.044 -2.908 1.00 0.00 O ATOM 0 H SER A 44 32.858 -8.755 -5.039 1.00 0.00 H new ATOM 0 HA SER A 44 33.399 -11.551 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.918 -10.278 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.198 -10.129 -3.049 1.00 0.00 H new ATOM 0 HG SER A 44 33.568 -12.047 -2.148 1.00 0.00 H new ATOM 690 N ILE A 45 30.225 -10.469 -5.200 1.00 0.00 N ATOM 691 CA ILE A 45 28.807 -10.854 -5.412 1.00 0.00 C ATOM 692 C ILE A 45 28.631 -11.349 -6.863 1.00 0.00 C ATOM 693 O ILE A 45 28.769 -10.573 -7.813 1.00 0.00 O ATOM 694 CB ILE A 45 27.765 -9.678 -5.123 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.740 -9.229 -3.614 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.327 -10.081 -5.567 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.950 -8.471 -3.118 1.00 0.00 C ATOM 0 H ILE A 45 30.358 -9.486 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 45 28.586 -11.642 -4.692 1.00 0.00 H new ATOM 0 HB ILE A 45 28.108 -8.828 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.859 -8.606 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.616 -10.118 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.639 -9.262 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.323 -10.295 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.012 -10.968 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.815 -8.217 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.839 -9.092 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.070 -7.557 -3.699 1.00 0.00 H new ATOM 709 N LYS A 46 28.351 -12.649 -6.999 1.00 0.00 N ATOM 710 CA LYS A 46 28.145 -13.308 -8.288 1.00 0.00 C ATOM 711 C LYS A 46 26.734 -13.007 -8.817 1.00 0.00 C ATOM 712 O LYS A 46 26.572 -12.342 -9.852 1.00 0.00 O ATOM 713 CB LYS A 46 28.370 -14.843 -8.145 1.00 0.00 C ATOM 714 CG LYS A 46 29.803 -15.269 -7.741 1.00 0.00 C ATOM 715 CD LYS A 46 30.885 -14.697 -8.693 1.00 0.00 C ATOM 716 CE LYS A 46 32.248 -15.398 -8.548 1.00 0.00 C ATOM 717 NZ LYS A 46 32.182 -16.828 -8.969 1.00 0.00 N ATOM 0 H LYS A 46 28.260 -13.281 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 46 28.868 -12.921 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.672 -15.228 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.121 -15.320 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.005 -14.933 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 46 29.867 -16.357 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.542 -14.793 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.008 -13.632 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.991 -14.876 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.579 -15.339 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 33.145 -17.191 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.712 -17.387 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.642 -16.905 -9.855 1.00 0.00 H new ATOM 731 N SER A 47 25.712 -13.461 -8.074 1.00 0.00 N ATOM 732 CA SER A 47 24.311 -13.333 -8.484 1.00 0.00 C ATOM 733 C SER A 47 23.419 -13.124 -7.254 1.00 0.00 C ATOM 734 O SER A 47 23.567 -13.824 -6.239 1.00 0.00 O ATOM 735 CB SER A 47 23.867 -14.594 -9.268 1.00 0.00 C ATOM 736 OG SER A 47 22.525 -14.478 -9.724 1.00 0.00 O ATOM 0 H SER A 47 25.837 -13.926 -7.175 1.00 0.00 H new ATOM 0 HA SER A 47 24.211 -12.466 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.530 -14.746 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.961 -15.473 -8.630 1.00 0.00 H new ATOM 0 HG SER A 47 21.950 -15.078 -9.205 1.00 0.00 H new ATOM 742 N VAL A 48 22.516 -12.128 -7.346 1.00 0.00 N ATOM 743 CA VAL A 48 21.446 -11.938 -6.362 1.00 0.00 C ATOM 744 C VAL A 48 20.332 -12.973 -6.643 1.00 0.00 C ATOM 745 O VAL A 48 19.643 -12.928 -7.677 1.00 0.00 O ATOM 746 CB VAL A 48 20.888 -10.450 -6.333 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.517 -9.932 -7.743 1.00 0.00 C ATOM 748 CG2 VAL A 48 19.690 -10.310 -5.348 1.00 0.00 C ATOM 0 H VAL A 48 22.512 -11.441 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 48 21.854 -12.102 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 48 21.699 -9.820 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.141 -8.912 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.401 -9.947 -8.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.747 -10.572 -8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.333 -9.280 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.884 -10.975 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.013 -10.577 -4.342 1.00 0.00 H new ATOM 758 N GLU A 49 20.230 -13.939 -5.731 1.00 0.00 N ATOM 759 CA GLU A 49 19.228 -15.013 -5.772 1.00 0.00 C ATOM 760 C GLU A 49 17.934 -14.527 -5.101 1.00 0.00 C ATOM 761 O GLU A 49 17.906 -13.428 -4.518 1.00 0.00 O ATOM 762 CB GLU A 49 19.789 -16.260 -5.038 1.00 0.00 C ATOM 763 CG GLU A 49 21.202 -16.696 -5.475 1.00 0.00 C ATOM 764 CD GLU A 49 21.261 -17.275 -6.895 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.344 -16.496 -7.866 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.224 -18.514 -7.048 1.00 0.00 O ATOM 0 H GLU A 49 20.852 -14.002 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 49 19.006 -15.281 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.804 -16.056 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.104 -17.093 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.872 -15.838 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.575 -17.442 -4.773 1.00 0.00 H new ATOM 773 N ASP A 50 16.868 -15.343 -5.153 1.00 0.00 N ATOM 774 CA ASP A 50 15.573 -14.955 -4.572 1.00 0.00 C ATOM 775 C ASP A 50 15.643 -15.050 -3.037 1.00 0.00 C ATOM 776 O ASP A 50 15.356 -16.098 -2.447 1.00 0.00 O ATOM 777 CB ASP A 50 14.412 -15.797 -5.153 1.00 0.00 C ATOM 778 CG ASP A 50 13.037 -15.170 -4.852 1.00 0.00 C ATOM 779 OD1 ASP A 50 12.646 -14.217 -5.566 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.351 -15.606 -3.906 1.00 0.00 O ATOM 0 H ASP A 50 16.877 -16.266 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 50 15.364 -13.920 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.538 -15.893 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.450 -16.804 -4.737 1.00 0.00 H new ATOM 785 N GLY A 51 16.110 -13.952 -2.425 1.00 0.00 N ATOM 786 CA GLY A 51 16.300 -13.863 -0.986 1.00 0.00 C ATOM 787 C GLY A 51 17.662 -14.338 -0.513 1.00 0.00 C ATOM 788 O GLY A 51 17.854 -14.558 0.691 1.00 0.00 O ATOM 0 H GLY A 51 16.365 -13.101 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.159 -12.828 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.529 -14.453 -0.491 1.00 0.00 H new ATOM 792 N ARG A 52 18.620 -14.515 -1.450 1.00 0.00 N ATOM 793 CA ARG A 52 20.010 -14.898 -1.116 1.00 0.00 C ATOM 794 C ARG A 52 20.995 -14.039 -1.934 1.00 0.00 C ATOM 795 O ARG A 52 20.620 -13.452 -2.952 1.00 0.00 O ATOM 796 CB ARG A 52 20.308 -16.417 -1.382 1.00 0.00 C ATOM 797 CG ARG A 52 19.368 -17.456 -0.699 1.00 0.00 C ATOM 798 CD ARG A 52 18.107 -17.799 -1.524 1.00 0.00 C ATOM 799 NE ARG A 52 17.232 -18.762 -0.815 1.00 0.00 N ATOM 800 CZ ARG A 52 16.118 -19.325 -1.308 1.00 0.00 C ATOM 801 NH1 ARG A 52 15.708 -19.070 -2.537 1.00 0.00 N ATOM 802 NH2 ARG A 52 15.406 -20.140 -0.547 1.00 0.00 N ATOM 0 H ARG A 52 18.454 -14.398 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 52 20.138 -14.723 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.272 -16.585 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.329 -16.623 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.929 -18.372 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.060 -17.069 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.549 -16.886 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.404 -18.217 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 52 17.501 -19.021 0.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.241 -18.435 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.858 -19.508 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.705 -20.337 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.558 -20.571 -0.915 1.00 0.00 H new ATOM 816 N ILE A 53 22.247 -13.961 -1.454 1.00 0.00 N ATOM 817 CA ILE A 53 23.372 -13.343 -2.181 1.00 0.00 C ATOM 818 C ILE A 53 24.501 -14.377 -2.297 1.00 0.00 C ATOM 819 O ILE A 53 25.193 -14.648 -1.312 1.00 0.00 O ATOM 820 CB ILE A 53 23.923 -12.050 -1.441 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.839 -10.935 -1.324 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.195 -11.496 -2.134 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.374 -10.346 -2.649 1.00 0.00 C ATOM 0 H ILE A 53 22.511 -14.329 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 53 23.016 -13.033 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 53 24.190 -12.361 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.974 -11.344 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.233 -10.130 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.544 -10.612 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.975 -12.257 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.961 -11.229 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.621 -9.580 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.223 -9.901 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.944 -11.134 -3.267 1.00 0.00 H new ATOM 835 N VAL A 54 24.679 -14.977 -3.483 1.00 0.00 N ATOM 836 CA VAL A 54 25.858 -15.809 -3.747 1.00 0.00 C ATOM 837 C VAL A 54 27.039 -14.881 -4.055 1.00 0.00 C ATOM 838 O VAL A 54 26.993 -14.111 -5.013 1.00 0.00 O ATOM 839 CB VAL A 54 25.643 -16.841 -4.924 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.963 -17.590 -5.284 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.530 -17.860 -4.569 1.00 0.00 C ATOM 0 H VAL A 54 24.029 -14.902 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 54 26.054 -16.411 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 54 25.332 -16.271 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.774 -18.290 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.718 -16.868 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.321 -18.136 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.401 -18.560 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.812 -18.408 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.594 -17.330 -4.393 1.00 0.00 H new ATOM 851 N ILE A 55 28.063 -14.924 -3.194 1.00 0.00 N ATOM 852 CA ILE A 55 29.360 -14.283 -3.441 1.00 0.00 C ATOM 853 C ILE A 55 30.377 -15.380 -3.779 1.00 0.00 C ATOM 854 O ILE A 55 30.124 -16.564 -3.543 1.00 0.00 O ATOM 855 CB ILE A 55 29.875 -13.436 -2.204 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.162 -14.343 -0.963 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.875 -12.313 -1.843 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.787 -13.638 0.236 1.00 0.00 C ATOM 0 H ILE A 55 28.014 -15.409 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 55 29.242 -13.582 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 55 30.816 -12.972 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.225 -14.801 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.824 -15.152 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.254 -11.748 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.754 -11.645 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.911 -12.753 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.944 -14.357 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.744 -13.204 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.121 -12.848 0.581 1.00 0.00 H new ATOM 870 N GLY A 56 31.510 -14.986 -4.347 1.00 0.00 N ATOM 871 CA GLY A 56 32.550 -15.925 -4.741 1.00 0.00 C ATOM 872 C GLY A 56 33.702 -15.880 -3.768 1.00 0.00 C ATOM 873 O GLY A 56 33.581 -16.352 -2.628 1.00 0.00 O ATOM 0 H GLY A 56 31.732 -14.011 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.140 -16.934 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.904 -15.684 -5.743 1.00 0.00 H new ATOM 877 N GLU A 57 34.817 -15.288 -4.212 1.00 0.00 N ATOM 878 CA GLU A 57 36.028 -15.123 -3.407 1.00 0.00 C ATOM 879 C GLU A 57 36.397 -13.637 -3.322 1.00 0.00 C ATOM 880 O GLU A 57 36.000 -12.834 -4.178 1.00 0.00 O ATOM 881 CB GLU A 57 37.186 -15.955 -4.013 1.00 0.00 C ATOM 882 CG GLU A 57 36.962 -17.474 -3.933 1.00 0.00 C ATOM 883 CD GLU A 57 38.107 -18.277 -4.557 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.096 -18.576 -3.847 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.025 -18.620 -5.757 1.00 0.00 O ATOM 0 H GLU A 57 34.902 -14.906 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 57 35.845 -15.487 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.319 -15.671 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.112 -15.705 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.847 -17.765 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 57 36.030 -17.726 -4.439 1.00 0.00 H new ATOM 892 N PHE A 58 37.149 -13.301 -2.269 1.00 0.00 N ATOM 893 CA PHE A 58 37.540 -11.925 -1.923 1.00 0.00 C ATOM 894 C PHE A 58 38.651 -11.980 -0.858 1.00 0.00 C ATOM 895 O PHE A 58 38.825 -13.010 -0.186 1.00 0.00 O ATOM 896 CB PHE A 58 36.311 -11.118 -1.395 1.00 0.00 C ATOM 897 CG PHE A 58 35.708 -11.667 -0.097 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.925 -12.824 -0.100 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.950 -11.045 1.128 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.409 -13.336 1.075 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.428 -11.557 2.298 1.00 0.00 C ATOM 902 CZ PHE A 58 34.664 -12.701 2.271 1.00 0.00 C ATOM 0 H PHE A 58 37.513 -13.994 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 58 37.911 -11.416 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.613 -10.083 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.539 -11.108 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.720 -13.325 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.554 -10.150 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.807 -14.232 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.619 -11.059 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.263 -13.102 3.190 1.00 0.00 H new ATOM 912 N ASP A 59 39.405 -10.882 -0.721 1.00 0.00 N ATOM 913 CA ASP A 59 40.413 -10.735 0.339 1.00 0.00 C ATOM 914 C ASP A 59 39.701 -10.463 1.670 1.00 0.00 C ATOM 915 O ASP A 59 39.274 -9.340 1.937 1.00 0.00 O ATOM 916 CB ASP A 59 41.415 -9.603 0.003 1.00 0.00 C ATOM 917 CG ASP A 59 42.168 -9.832 -1.322 1.00 0.00 C ATOM 918 OD1 ASP A 59 43.064 -10.700 -1.364 1.00 0.00 O ATOM 919 OD2 ASP A 59 41.850 -9.160 -2.336 1.00 0.00 O ATOM 0 H ASP A 59 39.335 -10.073 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 59 40.987 -11.658 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.878 -8.656 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.138 -9.514 0.814 1.00 0.00 H new ATOM 924 N GLU A 60 39.540 -11.532 2.453 1.00 0.00 N ATOM 925 CA GLU A 60 38.796 -11.527 3.726 1.00 0.00 C ATOM 926 C GLU A 60 39.386 -10.556 4.759 1.00 0.00 C ATOM 927 O GLU A 60 38.634 -9.830 5.405 1.00 0.00 O ATOM 928 CB GLU A 60 38.679 -12.967 4.326 1.00 0.00 C ATOM 929 CG GLU A 60 40.004 -13.645 4.778 1.00 0.00 C ATOM 930 CD GLU A 60 40.983 -13.932 3.623 1.00 0.00 C ATOM 931 OE1 GLU A 60 40.838 -14.977 2.948 1.00 0.00 O ATOM 932 OE2 GLU A 60 41.873 -13.085 3.360 1.00 0.00 O ATOM 0 H GLU A 60 39.929 -12.446 2.220 1.00 0.00 H new ATOM 0 HA GLU A 60 37.794 -11.168 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.008 -12.925 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.205 -13.608 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.497 -13.005 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 39.768 -14.582 5.283 1.00 0.00 H new ATOM 939 N GLU A 61 40.728 -10.536 4.889 1.00 0.00 N ATOM 940 CA GLU A 61 41.418 -9.687 5.883 1.00 0.00 C ATOM 941 C GLU A 61 41.266 -8.191 5.525 1.00 0.00 C ATOM 942 O GLU A 61 41.169 -7.333 6.412 1.00 0.00 O ATOM 943 CB GLU A 61 42.922 -10.078 6.002 1.00 0.00 C ATOM 944 CG GLU A 61 43.696 -9.360 7.136 1.00 0.00 C ATOM 945 CD GLU A 61 43.224 -9.730 8.565 1.00 0.00 C ATOM 946 OE1 GLU A 61 42.233 -9.135 9.063 1.00 0.00 O ATOM 947 OE2 GLU A 61 43.846 -10.607 9.205 1.00 0.00 O ATOM 0 H GLU A 61 41.357 -11.099 4.317 1.00 0.00 H new ATOM 0 HA GLU A 61 40.949 -9.854 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 61 42.991 -11.154 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.414 -9.863 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 61 44.756 -9.598 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.598 -8.283 7.001 1.00 0.00 H new ATOM 954 N GLU A 62 41.234 -7.896 4.209 1.00 0.00 N ATOM 955 CA GLU A 62 40.986 -6.533 3.703 1.00 0.00 C ATOM 956 C GLU A 62 39.530 -6.122 3.966 1.00 0.00 C ATOM 957 O GLU A 62 39.282 -5.079 4.554 1.00 0.00 O ATOM 958 CB GLU A 62 41.348 -6.409 2.202 1.00 0.00 C ATOM 959 CG GLU A 62 42.860 -6.557 1.911 1.00 0.00 C ATOM 960 CD GLU A 62 43.259 -6.138 0.482 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.208 -4.925 0.178 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.638 -7.000 -0.331 1.00 0.00 O ATOM 0 H GLU A 62 41.378 -8.589 3.475 1.00 0.00 H new ATOM 0 HA GLU A 62 41.637 -5.846 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.804 -7.170 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.010 -5.440 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.420 -5.955 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.152 -7.595 2.071 1.00 0.00 H new ATOM 969 N ALA A 63 38.579 -7.001 3.594 1.00 0.00 N ATOM 970 CA ALA A 63 37.124 -6.777 3.804 1.00 0.00 C ATOM 971 C ALA A 63 36.793 -6.585 5.305 1.00 0.00 C ATOM 972 O ALA A 63 35.841 -5.889 5.671 1.00 0.00 O ATOM 973 CB ALA A 63 36.334 -7.963 3.221 1.00 0.00 C ATOM 0 H ALA A 63 38.792 -7.889 3.139 1.00 0.00 H new ATOM 0 HA ALA A 63 36.835 -5.861 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.267 -7.800 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.539 -8.047 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.636 -8.883 3.722 1.00 0.00 H new ATOM 979 N ARG A 64 37.627 -7.209 6.147 1.00 0.00 N ATOM 980 CA ARG A 64 37.524 -7.168 7.611 1.00 0.00 C ATOM 981 C ARG A 64 37.993 -5.800 8.158 1.00 0.00 C ATOM 982 O ARG A 64 37.324 -5.214 9.021 1.00 0.00 O ATOM 983 CB ARG A 64 38.359 -8.357 8.173 1.00 0.00 C ATOM 984 CG ARG A 64 38.263 -8.640 9.689 1.00 0.00 C ATOM 985 CD ARG A 64 39.237 -7.811 10.536 1.00 0.00 C ATOM 986 NE ARG A 64 39.201 -8.227 11.946 1.00 0.00 N ATOM 987 CZ ARG A 64 40.191 -8.853 12.603 1.00 0.00 C ATOM 988 NH1 ARG A 64 41.321 -9.189 11.977 1.00 0.00 N ATOM 989 NH2 ARG A 64 40.025 -9.166 13.881 1.00 0.00 N ATOM 0 H ARG A 64 38.413 -7.771 5.820 1.00 0.00 H new ATOM 0 HA ARG A 64 36.488 -7.275 7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.058 -9.260 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.406 -8.178 7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.245 -8.440 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.454 -9.699 9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.249 -7.924 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.982 -6.754 10.459 1.00 0.00 H new ATOM 0 HE ARG A 64 38.350 -8.022 12.470 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.440 -8.971 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 64 42.065 -9.664 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 64 39.153 -8.931 14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.770 -9.642 14.390 1.00 0.00 H new ATOM 1003 N GLU A 65 39.142 -5.289 7.652 1.00 0.00 N ATOM 1004 CA GLU A 65 39.745 -4.033 8.167 1.00 0.00 C ATOM 1005 C GLU A 65 38.980 -2.794 7.683 1.00 0.00 C ATOM 1006 O GLU A 65 38.854 -1.817 8.426 1.00 0.00 O ATOM 1007 CB GLU A 65 41.273 -3.927 7.854 1.00 0.00 C ATOM 1008 CG GLU A 65 41.706 -4.010 6.370 1.00 0.00 C ATOM 1009 CD GLU A 65 41.529 -2.715 5.540 1.00 0.00 C ATOM 1010 OE1 GLU A 65 41.766 -1.611 6.077 1.00 0.00 O ATOM 1011 OE2 GLU A 65 41.166 -2.800 4.347 1.00 0.00 O ATOM 0 H GLU A 65 39.667 -5.723 6.893 1.00 0.00 H new ATOM 0 HA GLU A 65 39.653 -4.070 9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.634 -2.981 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.784 -4.721 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 65 42.756 -4.301 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.138 -4.807 5.890 1.00 0.00 H new ATOM 1018 N LEU A 66 38.486 -2.820 6.432 1.00 0.00 N ATOM 1019 CA LEU A 66 37.636 -1.737 5.903 1.00 0.00 C ATOM 1020 C LEU A 66 36.182 -1.924 6.361 1.00 0.00 C ATOM 1021 O LEU A 66 35.367 -1.003 6.270 1.00 0.00 O ATOM 1022 CB LEU A 66 37.821 -1.588 4.361 1.00 0.00 C ATOM 1023 CG LEU A 66 37.503 -2.814 3.437 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.005 -3.003 3.196 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.262 -2.717 2.095 1.00 0.00 C ATOM 0 H LEU A 66 38.660 -3.576 5.770 1.00 0.00 H new ATOM 0 HA LEU A 66 37.953 -0.781 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.196 -0.757 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.856 -1.299 4.180 1.00 0.00 H new ATOM 0 HG LEU A 66 37.853 -3.697 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.847 -3.866 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.501 -3.165 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.598 -2.112 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 38.020 -3.582 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.967 -1.806 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.335 -2.695 2.285 1.00 0.00 H new ATOM 1037 N GLY A 67 35.885 -3.143 6.854 1.00 0.00 N ATOM 1038 CA GLY A 67 34.666 -3.414 7.599 1.00 0.00 C ATOM 1039 C GLY A 67 34.646 -2.679 8.939 1.00 0.00 C ATOM 1040 O GLY A 67 33.659 -2.027 9.264 1.00 0.00 O ATOM 0 H GLY A 67 36.489 -3.957 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.803 -3.113 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.576 -4.487 7.771 1.00 0.00 H new ATOM 1044 N ARG A 68 35.758 -2.762 9.712 1.00 0.00 N ATOM 1045 CA ARG A 68 35.877 -2.051 11.018 1.00 0.00 C ATOM 1046 C ARG A 68 36.147 -0.543 10.818 1.00 0.00 C ATOM 1047 O ARG A 68 35.895 0.264 11.720 1.00 0.00 O ATOM 1048 CB ARG A 68 36.955 -2.684 11.944 1.00 0.00 C ATOM 1049 CG ARG A 68 38.405 -2.605 11.421 1.00 0.00 C ATOM 1050 CD ARG A 68 39.448 -2.939 12.507 1.00 0.00 C ATOM 1051 NE ARG A 68 39.256 -4.285 13.087 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.141 -4.564 14.398 1.00 0.00 C ATOM 1053 NH1 ARG A 68 39.118 -3.592 15.303 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.037 -5.819 14.789 1.00 0.00 N ATOM 0 H ARG A 68 36.581 -3.309 9.459 1.00 0.00 H new ATOM 0 HA ARG A 68 34.915 -2.164 11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.910 -2.192 12.915 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.701 -3.732 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.523 -3.294 10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.594 -1.603 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 68 40.448 -2.872 12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.391 -2.194 13.301 1.00 0.00 H new ATOM 0 HE ARG A 68 39.206 -5.070 12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 68 39.188 -2.618 15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 68 39.030 -3.819 16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 68 39.044 -6.570 14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 68 38.949 -6.038 15.781 1.00 0.00 H new ATOM 1068 N LYS A 69 36.666 -0.180 9.634 1.00 0.00 N ATOM 1069 CA LYS A 69 36.786 1.227 9.203 1.00 0.00 C ATOM 1070 C LYS A 69 35.373 1.794 8.966 1.00 0.00 C ATOM 1071 O LYS A 69 35.117 2.980 9.212 1.00 0.00 O ATOM 1072 CB LYS A 69 37.705 1.304 7.942 1.00 0.00 C ATOM 1073 CG LYS A 69 37.959 2.707 7.310 1.00 0.00 C ATOM 1074 CD LYS A 69 36.874 3.143 6.293 1.00 0.00 C ATOM 1075 CE LYS A 69 36.733 2.167 5.107 1.00 0.00 C ATOM 1076 NZ LYS A 69 35.589 2.509 4.228 1.00 0.00 N ATOM 0 H LYS A 69 37.014 -0.850 8.948 1.00 0.00 H new ATOM 0 HA LYS A 69 37.256 1.842 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.672 0.876 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.272 0.664 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 69 38.015 3.449 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.928 2.700 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 69 35.915 3.224 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.118 4.135 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 69 37.653 2.175 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 69 36.606 1.153 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 34.982 1.673 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 35.037 3.278 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 35.944 2.817 3.300 1.00 0.00 H new ATOM 1090 N TRP A 70 34.445 0.917 8.505 1.00 0.00 N ATOM 1091 CA TRP A 70 33.012 1.246 8.443 1.00 0.00 C ATOM 1092 C TRP A 70 32.439 1.399 9.866 1.00 0.00 C ATOM 1093 O TRP A 70 31.648 2.306 10.112 1.00 0.00 O ATOM 1094 CB TRP A 70 32.202 0.201 7.629 1.00 0.00 C ATOM 1095 CG TRP A 70 30.701 0.435 7.652 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.996 1.359 6.929 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.735 -0.248 8.471 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.663 1.267 7.224 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.478 0.293 8.169 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.815 -1.285 9.403 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.306 -0.154 8.783 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.657 -1.721 10.021 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.415 -1.159 9.706 1.00 0.00 C ATOM 0 H TRP A 70 34.671 -0.021 8.173 1.00 0.00 H new ATOM 0 HA TRP A 70 32.916 2.196 7.918 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.546 0.214 6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.411 -0.794 8.023 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.428 2.058 6.228 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.925 1.834 6.807 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.766 -1.739 9.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.347 0.278 8.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.712 -2.508 10.759 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.527 -1.525 10.200 1.00 0.00 H new ATOM 1114 N LEU A 71 32.859 0.511 10.806 1.00 0.00 N ATOM 1115 CA LEU A 71 32.463 0.614 12.237 1.00 0.00 C ATOM 1116 C LEU A 71 32.883 1.980 12.839 1.00 0.00 C ATOM 1117 O LEU A 71 32.285 2.425 13.822 1.00 0.00 O ATOM 1118 CB LEU A 71 33.041 -0.558 13.110 1.00 0.00 C ATOM 1119 CG LEU A 71 32.221 -1.894 13.191 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.791 -1.657 13.704 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.213 -2.664 11.866 1.00 0.00 C ATOM 0 H LEU A 71 33.469 -0.280 10.600 1.00 0.00 H new ATOM 0 HA LEU A 71 31.376 0.535 12.258 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.034 -0.799 12.730 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.171 -0.184 14.126 1.00 0.00 H new ATOM 0 HG LEU A 71 32.736 -2.522 13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.257 -2.606 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.830 -1.219 14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.271 -0.977 13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.632 -3.579 11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.766 -2.045 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.236 -2.917 11.586 1.00 0.00 H new ATOM 1133 N GLU A 72 33.917 2.621 12.262 1.00 0.00 N ATOM 1134 CA GLU A 72 34.316 3.991 12.647 1.00 0.00 C ATOM 1135 C GLU A 72 33.392 5.049 11.991 1.00 0.00 C ATOM 1136 O GLU A 72 32.857 5.923 12.684 1.00 0.00 O ATOM 1137 CB GLU A 72 35.801 4.257 12.270 1.00 0.00 C ATOM 1138 CG GLU A 72 36.352 5.626 12.741 1.00 0.00 C ATOM 1139 CD GLU A 72 37.822 5.864 12.340 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.741 5.481 13.104 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.075 6.429 11.253 1.00 0.00 O ATOM 0 H GLU A 72 34.493 2.212 11.526 1.00 0.00 H new ATOM 0 HA GLU A 72 34.212 4.077 13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.418 3.466 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.904 4.192 11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.735 6.421 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.264 5.692 13.825 1.00 0.00 H new