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 -50:sc= 1.29 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -156:sc= 0.706 (180deg=-0.0131) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0612 (180deg=-0.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= 1.14 (180deg=0.326) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 35:sc= 0.374 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 0.514 (180deg=0.354) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 71:sc= 0.283 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.02) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.470 -9.772 3.190 1.00 0.00 N ATOM 124 CA MET A 9 19.299 -11.061 2.503 1.00 0.00 C ATOM 125 C MET A 9 20.391 -12.032 2.970 1.00 0.00 C ATOM 126 O MET A 9 21.498 -11.605 3.330 1.00 0.00 O ATOM 127 CB MET A 9 19.336 -10.864 0.954 1.00 0.00 C ATOM 128 CG MET A 9 19.091 -12.141 0.136 1.00 0.00 C ATOM 129 SD MET A 9 18.920 -11.853 -1.644 1.00 0.00 S ATOM 130 CE MET A 9 17.412 -10.889 -1.729 1.00 0.00 C ATOM 0 HA MET A 9 18.326 -11.483 2.754 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.586 -10.123 0.678 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.307 -10.453 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.917 -12.832 0.304 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.188 -12.628 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.030 -10.901 -2.750 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.668 -11.318 -1.058 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.620 -9.861 -1.431 1.00 0.00 H new ATOM 140 N TYR A 10 20.059 -13.337 2.979 1.00 0.00 N ATOM 141 CA TYR A 10 20.965 -14.400 3.440 1.00 0.00 C ATOM 142 C TYR A 10 22.130 -14.563 2.443 1.00 0.00 C ATOM 143 O TYR A 10 21.940 -15.070 1.336 1.00 0.00 O ATOM 144 CB TYR A 10 20.188 -15.741 3.584 1.00 0.00 C ATOM 145 CG TYR A 10 18.888 -15.640 4.402 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.908 -15.614 5.800 1.00 0.00 C ATOM 147 CD2 TYR A 10 17.642 -15.568 3.769 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.734 -15.520 6.525 1.00 0.00 C ATOM 149 CE2 TYR A 10 16.475 -15.475 4.490 1.00 0.00 C ATOM 150 CZ TYR A 10 16.525 -15.452 5.864 1.00 0.00 C ATOM 151 OH TYR A 10 15.354 -15.366 6.580 1.00 0.00 O ATOM 0 H TYR A 10 19.152 -13.682 2.665 1.00 0.00 H new ATOM 0 HA TYR A 10 21.369 -14.125 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.948 -16.116 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.841 -16.477 4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 10 19.853 -15.668 6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.596 -15.586 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 10 17.764 -15.500 7.604 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.524 -15.420 3.980 1.00 0.00 H new ATOM 0 HH TYR A 10 14.595 -15.325 5.962 1.00 0.00 H new ATOM 161 N VAL A 11 23.322 -14.098 2.835 1.00 0.00 N ATOM 162 CA VAL A 11 24.528 -14.173 1.995 1.00 0.00 C ATOM 163 C VAL A 11 25.190 -15.550 2.157 1.00 0.00 C ATOM 164 O VAL A 11 25.327 -16.053 3.274 1.00 0.00 O ATOM 165 CB VAL A 11 25.535 -13.021 2.345 1.00 0.00 C ATOM 166 CG1 VAL A 11 26.811 -13.062 1.459 1.00 0.00 C ATOM 167 CG2 VAL A 11 24.829 -11.643 2.253 1.00 0.00 C ATOM 0 H VAL A 11 23.480 -13.659 3.742 1.00 0.00 H new ATOM 0 HA VAL A 11 24.235 -14.044 0.953 1.00 0.00 H new ATOM 0 HB VAL A 11 25.867 -13.175 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.476 -12.245 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.324 -14.013 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.530 -12.957 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.539 -10.853 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.455 -11.493 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 11 23.996 -11.613 2.956 1.00 0.00 H new ATOM 177 N PHE A 12 25.541 -16.163 1.020 1.00 0.00 N ATOM 178 CA PHE A 12 26.217 -17.461 0.944 1.00 0.00 C ATOM 179 C PHE A 12 27.634 -17.293 0.369 1.00 0.00 C ATOM 180 O PHE A 12 27.812 -16.692 -0.695 1.00 0.00 O ATOM 181 CB PHE A 12 25.397 -18.463 0.073 1.00 0.00 C ATOM 182 CG PHE A 12 24.138 -18.990 0.760 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.019 -18.180 0.925 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.082 -20.295 1.256 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.887 -18.654 1.559 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.948 -20.766 1.889 1.00 0.00 C ATOM 187 CZ PHE A 12 21.853 -19.945 2.038 1.00 0.00 C ATOM 0 H PHE A 12 25.357 -15.757 0.103 1.00 0.00 H new ATOM 0 HA PHE A 12 26.292 -17.866 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.113 -17.973 -0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.035 -19.306 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.036 -17.167 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.937 -20.945 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.027 -18.011 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.921 -21.777 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.966 -20.314 2.531 1.00 0.00 H new ATOM 197 N LYS A 13 28.628 -17.826 1.097 1.00 0.00 N ATOM 198 CA LYS A 13 30.014 -17.938 0.633 1.00 0.00 C ATOM 199 C LYS A 13 30.089 -19.117 -0.350 1.00 0.00 C ATOM 200 O LYS A 13 30.300 -20.272 0.047 1.00 0.00 O ATOM 201 CB LYS A 13 30.967 -18.144 1.852 1.00 0.00 C ATOM 202 CG LYS A 13 32.491 -18.292 1.553 1.00 0.00 C ATOM 203 CD LYS A 13 33.181 -16.994 1.031 1.00 0.00 C ATOM 204 CE LYS A 13 33.098 -16.810 -0.502 1.00 0.00 C ATOM 205 NZ LYS A 13 33.757 -17.924 -1.236 1.00 0.00 N ATOM 0 H LYS A 13 28.486 -18.195 2.037 1.00 0.00 H new ATOM 0 HA LYS A 13 30.331 -17.027 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.837 -17.299 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.641 -19.035 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.996 -18.615 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.628 -19.082 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.723 -16.132 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 13 34.229 -17.007 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.052 -16.747 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.567 -15.866 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 34.088 -17.583 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.568 -18.271 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.077 -18.698 -1.376 1.00 0.00 H new ATOM 219 N GLY A 14 29.838 -18.808 -1.632 1.00 0.00 N ATOM 220 CA GLY A 14 29.724 -19.825 -2.666 1.00 0.00 C ATOM 221 C GLY A 14 28.431 -20.616 -2.498 1.00 0.00 C ATOM 222 O GLY A 14 27.371 -20.159 -2.923 1.00 0.00 O ATOM 0 H GLY A 14 29.711 -17.854 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.745 -19.356 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.579 -20.500 -2.617 1.00 0.00 H new ATOM 226 N GLU A 15 28.526 -21.773 -1.816 1.00 0.00 N ATOM 227 CA GLU A 15 27.404 -22.718 -1.627 1.00 0.00 C ATOM 228 C GLU A 15 27.089 -22.960 -0.131 1.00 0.00 C ATOM 229 O GLU A 15 26.190 -23.741 0.188 1.00 0.00 O ATOM 230 CB GLU A 15 27.747 -24.057 -2.344 1.00 0.00 C ATOM 231 CG GLU A 15 27.875 -23.924 -3.880 1.00 0.00 C ATOM 232 CD GLU A 15 28.367 -25.205 -4.575 1.00 0.00 C ATOM 233 OE1 GLU A 15 27.698 -26.250 -4.462 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.417 -25.163 -5.255 1.00 0.00 O ATOM 0 H GLU A 15 29.392 -22.083 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 15 26.506 -22.281 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.683 -24.445 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.974 -24.790 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.905 -23.647 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.563 -23.110 -4.109 1.00 0.00 H new ATOM 241 N GLU A 16 27.826 -22.287 0.781 1.00 0.00 N ATOM 242 CA GLU A 16 27.610 -22.401 2.251 1.00 0.00 C ATOM 243 C GLU A 16 27.188 -21.042 2.840 1.00 0.00 C ATOM 244 O GLU A 16 27.556 -20.003 2.310 1.00 0.00 O ATOM 245 CB GLU A 16 28.891 -22.920 2.961 1.00 0.00 C ATOM 246 CG GLU A 16 30.141 -22.037 2.780 1.00 0.00 C ATOM 247 CD GLU A 16 31.354 -22.542 3.576 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.113 -23.386 3.055 1.00 0.00 O ATOM 249 OE2 GLU A 16 31.540 -22.109 4.733 1.00 0.00 O ATOM 0 H GLU A 16 28.583 -21.653 0.527 1.00 0.00 H new ATOM 0 HA GLU A 16 26.809 -23.121 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 16 28.684 -23.015 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.114 -23.920 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.400 -21.996 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.908 -21.019 3.091 1.00 0.00 H new ATOM 256 N SER A 17 26.420 -21.070 3.944 1.00 0.00 N ATOM 257 CA SER A 17 25.863 -19.863 4.586 1.00 0.00 C ATOM 258 C SER A 17 26.979 -18.989 5.205 1.00 0.00 C ATOM 259 O SER A 17 27.638 -19.399 6.168 1.00 0.00 O ATOM 260 CB SER A 17 24.826 -20.264 5.667 1.00 0.00 C ATOM 261 OG SER A 17 24.268 -19.119 6.307 1.00 0.00 O ATOM 0 H SER A 17 26.166 -21.936 4.420 1.00 0.00 H new ATOM 0 HA SER A 17 25.365 -19.271 3.819 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.029 -20.850 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.303 -20.902 6.411 1.00 0.00 H new ATOM 0 HG SER A 17 23.617 -19.406 6.981 1.00 0.00 H new ATOM 267 N PHE A 18 27.183 -17.791 4.628 1.00 0.00 N ATOM 268 CA PHE A 18 28.212 -16.837 5.079 1.00 0.00 C ATOM 269 C PHE A 18 27.669 -15.977 6.243 1.00 0.00 C ATOM 270 O PHE A 18 28.267 -15.920 7.323 1.00 0.00 O ATOM 271 CB PHE A 18 28.649 -15.954 3.882 1.00 0.00 C ATOM 272 CG PHE A 18 29.818 -15.014 4.155 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.044 -15.510 4.600 1.00 0.00 C ATOM 274 CD2 PHE A 18 29.697 -13.641 3.964 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.103 -14.661 4.844 1.00 0.00 C ATOM 276 CE2 PHE A 18 30.757 -12.793 4.208 1.00 0.00 C ATOM 277 CZ PHE A 18 31.956 -13.303 4.647 1.00 0.00 C ATOM 0 H PHE A 18 26.637 -17.457 3.834 1.00 0.00 H new ATOM 0 HA PHE A 18 29.082 -17.380 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.916 -16.606 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.794 -15.359 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.165 -16.572 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.758 -13.233 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.046 -15.058 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.645 -11.730 4.054 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.786 -12.639 4.838 1.00 0.00 H new ATOM 287 N GLY A 19 26.519 -15.327 5.998 1.00 0.00 N ATOM 288 CA GLY A 19 25.871 -14.463 6.987 1.00 0.00 C ATOM 289 C GLY A 19 24.645 -13.761 6.412 1.00 0.00 C ATOM 290 O GLY A 19 23.858 -14.375 5.678 1.00 0.00 O ATOM 0 H GLY A 19 26.018 -15.388 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.577 -15.058 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.584 -13.718 7.341 1.00 0.00 H new ATOM 294 N GLU A 20 24.497 -12.469 6.738 1.00 0.00 N ATOM 295 CA GLU A 20 23.369 -11.626 6.296 1.00 0.00 C ATOM 296 C GLU A 20 23.889 -10.232 5.893 1.00 0.00 C ATOM 297 O GLU A 20 24.742 -9.666 6.584 1.00 0.00 O ATOM 298 CB GLU A 20 22.320 -11.499 7.445 1.00 0.00 C ATOM 299 CG GLU A 20 22.895 -10.964 8.782 1.00 0.00 C ATOM 300 CD GLU A 20 21.815 -10.615 9.817 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.335 -9.466 9.825 1.00 0.00 O ATOM 302 OE2 GLU A 20 21.433 -11.487 10.620 1.00 0.00 O ATOM 0 H GLU A 20 25.166 -11.970 7.325 1.00 0.00 H new ATOM 0 HA GLU A 20 22.890 -12.088 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.519 -10.837 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.873 -12.477 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 20 23.565 -11.712 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.495 -10.076 8.581 1.00 0.00 H new ATOM 309 N SER A 21 23.400 -9.688 4.768 1.00 0.00 N ATOM 310 CA SER A 21 23.711 -8.313 4.364 1.00 0.00 C ATOM 311 C SER A 21 22.959 -7.347 5.301 1.00 0.00 C ATOM 312 O SER A 21 21.738 -7.329 5.313 1.00 0.00 O ATOM 313 CB SER A 21 23.320 -8.085 2.883 1.00 0.00 C ATOM 314 OG SER A 21 21.949 -8.354 2.650 1.00 0.00 O ATOM 0 H SER A 21 22.786 -10.183 4.122 1.00 0.00 H new ATOM 0 HA SER A 21 24.782 -8.129 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.540 -7.054 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.929 -8.725 2.244 1.00 0.00 H new ATOM 0 HG SER A 21 21.426 -8.094 3.437 1.00 0.00 H new ATOM 320 N ILE A 22 23.699 -6.606 6.136 1.00 0.00 N ATOM 321 CA ILE A 22 23.110 -5.693 7.145 1.00 0.00 C ATOM 322 C ILE A 22 23.074 -4.251 6.590 1.00 0.00 C ATOM 323 O ILE A 22 22.105 -3.508 6.816 1.00 0.00 O ATOM 324 CB ILE A 22 23.904 -5.806 8.517 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.273 -4.948 9.694 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.405 -5.498 8.322 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.742 -3.491 9.817 1.00 0.00 C ATOM 0 H ILE A 22 24.719 -6.617 6.138 1.00 0.00 H new ATOM 0 HA ILE A 22 22.080 -5.983 7.353 1.00 0.00 H new ATOM 0 HB ILE A 22 23.808 -6.844 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.190 -4.947 9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.486 -5.454 10.635 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.921 -5.583 9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.833 -6.208 7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.521 -4.485 7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.237 -3.016 10.658 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.819 -3.468 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.503 -2.953 8.900 1.00 0.00 H new ATOM 339 N ASP A 23 24.114 -3.887 5.821 1.00 0.00 N ATOM 340 CA ASP A 23 24.316 -2.507 5.330 1.00 0.00 C ATOM 341 C ASP A 23 25.132 -2.545 4.016 1.00 0.00 C ATOM 342 O ASP A 23 25.525 -3.625 3.562 1.00 0.00 O ATOM 343 CB ASP A 23 25.037 -1.688 6.447 1.00 0.00 C ATOM 344 CG ASP A 23 25.076 -0.161 6.217 1.00 0.00 C ATOM 345 OD1 ASP A 23 24.121 0.532 6.632 1.00 0.00 O ATOM 346 OD2 ASP A 23 26.061 0.350 5.643 1.00 0.00 O ATOM 0 H ASP A 23 24.839 -4.538 5.521 1.00 0.00 H new ATOM 0 HA ASP A 23 23.365 -2.023 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.541 -1.884 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 23 26.060 -2.052 6.540 1.00 0.00 H new ATOM 351 N VAL A 24 25.347 -1.373 3.396 1.00 0.00 N ATOM 352 CA VAL A 24 26.193 -1.217 2.202 1.00 0.00 C ATOM 353 C VAL A 24 26.692 0.251 2.126 1.00 0.00 C ATOM 354 O VAL A 24 25.925 1.180 2.412 1.00 0.00 O ATOM 355 CB VAL A 24 25.421 -1.641 0.879 1.00 0.00 C ATOM 356 CG1 VAL A 24 24.111 -0.834 0.687 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.340 -1.555 -0.370 1.00 0.00 C ATOM 0 H VAL A 24 24.933 -0.497 3.714 1.00 0.00 H new ATOM 0 HA VAL A 24 27.052 -1.883 2.283 1.00 0.00 H new ATOM 0 HB VAL A 24 25.133 -2.685 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.616 -1.156 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.450 -1.006 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.345 0.228 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.779 -1.852 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.694 -0.531 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.193 -2.221 -0.241 1.00 0.00 H new ATOM 367 N TYR A 25 27.987 0.455 1.802 1.00 0.00 N ATOM 368 CA TYR A 25 28.560 1.799 1.559 1.00 0.00 C ATOM 369 C TYR A 25 29.483 1.743 0.320 1.00 0.00 C ATOM 370 O TYR A 25 30.355 0.868 0.233 1.00 0.00 O ATOM 371 CB TYR A 25 29.315 2.348 2.824 1.00 0.00 C ATOM 372 CG TYR A 25 30.749 1.823 3.055 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.984 0.531 3.512 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.871 2.622 2.797 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.269 0.056 3.708 1.00 0.00 C ATOM 376 CE2 TYR A 25 33.155 2.152 2.986 1.00 0.00 C ATOM 377 CZ TYR A 25 33.349 0.868 3.440 1.00 0.00 C ATOM 378 OH TYR A 25 34.629 0.392 3.622 1.00 0.00 O ATOM 0 H TYR A 25 28.663 -0.302 1.702 1.00 0.00 H new ATOM 0 HA TYR A 25 27.748 2.499 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.358 3.435 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.719 2.111 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 25 30.145 -0.117 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.727 3.632 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 25 32.425 -0.949 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.002 2.789 2.779 1.00 0.00 H new ATOM 0 HH TYR A 25 34.707 -0.004 4.515 1.00 0.00 H new ATOM 388 N GLY A 26 29.245 2.654 -0.642 1.00 0.00 N ATOM 389 CA GLY A 26 30.079 2.778 -1.839 1.00 0.00 C ATOM 390 C GLY A 26 30.112 1.509 -2.694 1.00 0.00 C ATOM 391 O GLY A 26 29.103 1.127 -3.298 1.00 0.00 O ATOM 0 H GLY A 26 28.472 3.319 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.710 3.605 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.096 3.031 -1.539 1.00 0.00 H new ATOM 395 N ASP A 27 31.277 0.836 -2.693 1.00 0.00 N ATOM 396 CA ASP A 27 31.521 -0.397 -3.471 1.00 0.00 C ATOM 397 C ASP A 27 31.641 -1.631 -2.552 1.00 0.00 C ATOM 398 O ASP A 27 32.155 -2.664 -2.980 1.00 0.00 O ATOM 399 CB ASP A 27 32.811 -0.242 -4.330 1.00 0.00 C ATOM 400 CG ASP A 27 32.684 0.826 -5.431 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.946 2.019 -5.155 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.332 0.476 -6.576 1.00 0.00 O ATOM 0 H ASP A 27 32.085 1.134 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 27 30.666 -0.552 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.645 0.016 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.051 -1.201 -4.789 1.00 0.00 H new ATOM 407 N TYR A 28 31.137 -1.539 -1.301 1.00 0.00 N ATOM 408 CA TYR A 28 31.254 -2.630 -0.304 1.00 0.00 C ATOM 409 C TYR A 28 29.908 -2.926 0.373 1.00 0.00 C ATOM 410 O TYR A 28 29.359 -2.075 1.080 1.00 0.00 O ATOM 411 CB TYR A 28 32.312 -2.285 0.778 1.00 0.00 C ATOM 412 CG TYR A 28 33.725 -2.069 0.225 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.482 -3.146 -0.238 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.295 -0.795 0.158 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.750 -2.961 -0.741 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.565 -0.610 -0.342 1.00 0.00 C ATOM 417 CZ TYR A 28 36.287 -1.693 -0.789 1.00 0.00 C ATOM 418 OH TYR A 28 37.563 -1.506 -1.272 1.00 0.00 O ATOM 0 H TYR A 28 30.643 -0.716 -0.955 1.00 0.00 H new ATOM 0 HA TYR A 28 31.573 -3.521 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.998 -1.384 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.340 -3.089 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.066 -4.142 -0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.731 0.058 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.321 -3.806 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.992 0.381 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 28 37.789 -0.553 -1.239 1.00 0.00 H new ATOM 428 N LEU A 29 29.388 -4.140 0.143 1.00 0.00 N ATOM 429 CA LEU A 29 28.233 -4.689 0.859 1.00 0.00 C ATOM 430 C LEU A 29 28.684 -5.215 2.241 1.00 0.00 C ATOM 431 O LEU A 29 29.463 -6.180 2.319 1.00 0.00 O ATOM 432 CB LEU A 29 27.584 -5.835 0.027 1.00 0.00 C ATOM 433 CG LEU A 29 26.340 -6.526 0.668 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.175 -5.531 0.846 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.899 -7.767 -0.148 1.00 0.00 C ATOM 0 H LEU A 29 29.766 -4.777 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 29 27.491 -3.904 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.292 -5.432 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.342 -6.596 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 29 26.633 -6.872 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.324 -6.044 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.490 -4.714 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.886 -5.131 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.030 -8.224 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.641 -7.463 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.715 -8.489 -0.183 1.00 0.00 H new ATOM 447 N ILE A 30 28.206 -4.566 3.318 1.00 0.00 N ATOM 448 CA ILE A 30 28.496 -4.978 4.702 1.00 0.00 C ATOM 449 C ILE A 30 27.673 -6.231 5.038 1.00 0.00 C ATOM 450 O ILE A 30 26.444 -6.151 5.188 1.00 0.00 O ATOM 451 CB ILE A 30 28.155 -3.848 5.752 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.761 -2.475 5.336 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.624 -4.247 7.176 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.268 -2.448 5.295 1.00 0.00 C ATOM 0 H ILE A 30 27.608 -3.742 3.253 1.00 0.00 H new ATOM 0 HA ILE A 30 29.565 -5.180 4.765 1.00 0.00 H new ATOM 0 HB ILE A 30 27.071 -3.739 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.378 -2.205 4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.415 -1.712 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.376 -3.450 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.124 -5.166 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.702 -4.405 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.606 -1.456 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.663 -2.684 6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.626 -3.185 4.576 1.00 0.00 H new ATOM 466 N VAL A 31 28.347 -7.384 5.112 1.00 0.00 N ATOM 467 CA VAL A 31 27.722 -8.649 5.498 1.00 0.00 C ATOM 468 C VAL A 31 28.123 -8.998 6.938 1.00 0.00 C ATOM 469 O VAL A 31 29.302 -9.262 7.215 1.00 0.00 O ATOM 470 CB VAL A 31 28.122 -9.820 4.535 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.421 -11.138 4.945 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.831 -9.449 3.060 1.00 0.00 C ATOM 0 H VAL A 31 29.343 -7.464 4.905 1.00 0.00 H new ATOM 0 HA VAL A 31 26.641 -8.524 5.429 1.00 0.00 H new ATOM 0 HB VAL A 31 29.196 -9.982 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.715 -11.934 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.713 -11.405 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.340 -11.004 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.117 -10.278 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.767 -9.245 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.403 -8.562 2.788 1.00 0.00 H new ATOM 482 N LYS A 32 27.137 -8.984 7.851 1.00 0.00 N ATOM 483 CA LYS A 32 27.338 -9.389 9.242 1.00 0.00 C ATOM 484 C LYS A 32 27.403 -10.932 9.294 1.00 0.00 C ATOM 485 O LYS A 32 26.406 -11.611 9.043 1.00 0.00 O ATOM 486 CB LYS A 32 26.200 -8.821 10.167 1.00 0.00 C ATOM 487 CG LYS A 32 26.543 -8.768 11.687 1.00 0.00 C ATOM 488 CD LYS A 32 26.510 -10.143 12.400 1.00 0.00 C ATOM 489 CE LYS A 32 27.127 -10.096 13.809 1.00 0.00 C ATOM 490 NZ LYS A 32 28.571 -9.735 13.767 1.00 0.00 N ATOM 0 H LYS A 32 26.183 -8.692 7.641 1.00 0.00 H new ATOM 0 HA LYS A 32 28.274 -8.977 9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.951 -7.814 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.307 -9.432 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.535 -8.334 11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.840 -8.099 12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 25.478 -10.486 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.048 -10.874 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.588 -9.370 14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.009 -11.067 14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.992 -9.877 14.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 29.059 -10.338 13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.672 -8.738 13.490 1.00 0.00 H new ATOM 504 N VAL A 33 28.604 -11.449 9.565 1.00 0.00 N ATOM 505 CA VAL A 33 28.847 -12.866 9.889 1.00 0.00 C ATOM 506 C VAL A 33 28.863 -13.029 11.419 1.00 0.00 C ATOM 507 O VAL A 33 29.129 -12.057 12.129 1.00 0.00 O ATOM 508 CB VAL A 33 30.192 -13.385 9.257 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.170 -13.193 7.729 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.435 -12.697 9.876 1.00 0.00 C ATOM 0 H VAL A 33 29.455 -10.887 9.567 1.00 0.00 H new ATOM 0 HA VAL A 33 28.045 -13.468 9.462 1.00 0.00 H new ATOM 0 HB VAL A 33 30.271 -14.448 9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.106 -13.556 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.337 -13.753 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 33 30.052 -12.135 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.338 -13.088 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.376 -11.621 9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.466 -12.897 10.947 1.00 0.00 H new ATOM 520 N GLY A 34 28.578 -14.248 11.906 1.00 0.00 N ATOM 521 CA GLY A 34 28.428 -14.549 13.349 1.00 0.00 C ATOM 522 C GLY A 34 29.473 -13.929 14.293 1.00 0.00 C ATOM 523 O GLY A 34 29.179 -13.685 15.467 1.00 0.00 O ATOM 0 H GLY A 34 28.443 -15.063 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 27.441 -14.214 13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 28.453 -15.631 13.476 1.00 0.00 H new ATOM 527 N THR A 35 30.688 -13.691 13.779 1.00 0.00 N ATOM 528 CA THR A 35 31.777 -13.071 14.546 1.00 0.00 C ATOM 529 C THR A 35 31.840 -11.539 14.313 1.00 0.00 C ATOM 530 O THR A 35 31.880 -10.768 15.268 1.00 0.00 O ATOM 531 CB THR A 35 33.142 -13.719 14.140 1.00 0.00 C ATOM 532 OG1 THR A 35 33.282 -13.677 12.710 1.00 0.00 O ATOM 533 CG2 THR A 35 33.255 -15.180 14.616 1.00 0.00 C ATOM 0 H THR A 35 30.943 -13.923 12.819 1.00 0.00 H new ATOM 0 HA THR A 35 31.582 -13.243 15.604 1.00 0.00 H new ATOM 0 HB THR A 35 33.936 -13.148 14.622 1.00 0.00 H new ATOM 0 HG1 THR A 35 34.137 -14.081 12.453 1.00 0.00 H new ATOM 0 HG21 THR A 35 34.219 -15.588 14.312 1.00 0.00 H new ATOM 0 HG22 THR A 35 33.172 -15.216 15.702 1.00 0.00 H new ATOM 0 HG23 THR A 35 32.454 -15.771 14.171 1.00 0.00 H new ATOM 541 N GLU A 36 31.801 -11.109 13.030 1.00 0.00 N ATOM 542 CA GLU A 36 32.205 -9.730 12.616 1.00 0.00 C ATOM 543 C GLU A 36 31.275 -9.135 11.541 1.00 0.00 C ATOM 544 O GLU A 36 30.289 -9.748 11.135 1.00 0.00 O ATOM 545 CB GLU A 36 33.675 -9.742 12.074 1.00 0.00 C ATOM 546 CG GLU A 36 34.765 -10.056 13.122 1.00 0.00 C ATOM 547 CD GLU A 36 34.986 -8.924 14.145 1.00 0.00 C ATOM 548 OE1 GLU A 36 34.159 -8.758 15.064 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.972 -8.182 14.021 1.00 0.00 O ATOM 0 H GLU A 36 31.493 -11.696 12.254 1.00 0.00 H new ATOM 0 HA GLU A 36 32.130 -9.101 13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.743 -10.478 11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.889 -8.769 11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.492 -10.967 13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 36 35.704 -10.257 12.607 1.00 0.00 H new ATOM 556 N PHE A 37 31.596 -7.893 11.123 1.00 0.00 N ATOM 557 CA PHE A 37 31.060 -7.280 9.893 1.00 0.00 C ATOM 558 C PHE A 37 32.151 -7.373 8.807 1.00 0.00 C ATOM 559 O PHE A 37 33.168 -6.669 8.881 1.00 0.00 O ATOM 560 CB PHE A 37 30.673 -5.787 10.133 1.00 0.00 C ATOM 561 CG PHE A 37 29.538 -5.553 11.138 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.789 -5.490 12.511 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.218 -5.393 10.714 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.762 -5.269 13.416 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.196 -5.171 11.620 1.00 0.00 C ATOM 566 CZ PHE A 37 27.467 -5.113 12.969 1.00 0.00 C ATOM 0 H PHE A 37 32.237 -7.286 11.633 1.00 0.00 H new ATOM 0 HA PHE A 37 30.158 -7.807 9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.557 -5.252 10.479 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.386 -5.346 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.799 -5.615 12.873 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.990 -5.443 9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.977 -5.219 14.473 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.183 -5.043 11.268 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.667 -4.946 13.675 1.00 0.00 H new ATOM 576 N LEU A 38 31.945 -8.255 7.817 1.00 0.00 N ATOM 577 CA LEU A 38 32.873 -8.429 6.686 1.00 0.00 C ATOM 578 C LEU A 38 32.280 -7.762 5.450 1.00 0.00 C ATOM 579 O LEU A 38 31.300 -8.248 4.870 1.00 0.00 O ATOM 580 CB LEU A 38 33.171 -9.932 6.424 1.00 0.00 C ATOM 581 CG LEU A 38 33.917 -10.685 7.573 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.302 -12.120 7.153 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.156 -9.893 8.058 1.00 0.00 C ATOM 0 H LEU A 38 31.131 -8.868 7.777 1.00 0.00 H new ATOM 0 HA LEU A 38 33.824 -7.956 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.227 -10.443 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.767 -10.012 5.515 1.00 0.00 H new ATOM 0 HG LEU A 38 33.225 -10.762 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 38 34.819 -12.614 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.401 -12.680 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.958 -12.081 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.651 -10.445 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 35.849 -9.757 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.842 -8.918 8.431 1.00 0.00 H new ATOM 595 N ALA A 39 32.868 -6.618 5.086 1.00 0.00 N ATOM 596 CA ALA A 39 32.434 -5.819 3.948 1.00 0.00 C ATOM 597 C ALA A 39 32.983 -6.409 2.645 1.00 0.00 C ATOM 598 O ALA A 39 34.139 -6.160 2.276 1.00 0.00 O ATOM 599 CB ALA A 39 32.887 -4.371 4.136 1.00 0.00 C ATOM 0 H ALA A 39 33.666 -6.221 5.582 1.00 0.00 H new ATOM 0 HA ALA A 39 31.346 -5.834 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.562 -3.774 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.449 -3.968 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.974 -4.336 4.209 1.00 0.00 H new ATOM 605 N VAL A 40 32.161 -7.238 1.986 1.00 0.00 N ATOM 606 CA VAL A 40 32.501 -7.847 0.695 1.00 0.00 C ATOM 607 C VAL A 40 32.241 -6.814 -0.430 1.00 0.00 C ATOM 608 O VAL A 40 31.215 -6.130 -0.400 1.00 0.00 O ATOM 609 CB VAL A 40 31.692 -9.188 0.449 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.935 -10.191 1.603 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.172 -8.939 0.242 1.00 0.00 C ATOM 0 H VAL A 40 31.240 -7.505 2.335 1.00 0.00 H new ATOM 0 HA VAL A 40 33.556 -8.121 0.697 1.00 0.00 H new ATOM 0 HB VAL A 40 32.068 -9.621 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.371 -11.105 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.998 -10.426 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.608 -9.749 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.666 -9.891 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.758 -8.456 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.024 -8.295 -0.625 1.00 0.00 H new ATOM 621 N PRO A 41 33.179 -6.633 -1.416 1.00 0.00 N ATOM 622 CA PRO A 41 32.960 -5.707 -2.557 1.00 0.00 C ATOM 623 C PRO A 41 31.770 -6.150 -3.444 1.00 0.00 C ATOM 624 O PRO A 41 31.379 -7.319 -3.413 1.00 0.00 O ATOM 625 CB PRO A 41 34.315 -5.746 -3.314 1.00 0.00 C ATOM 626 CG PRO A 41 34.933 -7.055 -2.923 1.00 0.00 C ATOM 627 CD PRO A 41 34.514 -7.288 -1.489 1.00 0.00 C ATOM 0 HA PRO A 41 32.688 -4.699 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.168 -5.684 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.951 -4.908 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.586 -7.861 -3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.019 -7.019 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.455 -8.351 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.219 -6.845 -0.786 1.00 0.00 H new ATOM 635 N LYS A 42 31.202 -5.209 -4.225 1.00 0.00 N ATOM 636 CA LYS A 42 30.038 -5.475 -5.112 1.00 0.00 C ATOM 637 C LYS A 42 30.373 -6.580 -6.140 1.00 0.00 C ATOM 638 O LYS A 42 29.518 -7.399 -6.495 1.00 0.00 O ATOM 639 CB LYS A 42 29.605 -4.176 -5.859 1.00 0.00 C ATOM 640 CG LYS A 42 29.253 -2.973 -4.948 1.00 0.00 C ATOM 641 CD LYS A 42 28.010 -3.195 -4.052 1.00 0.00 C ATOM 642 CE LYS A 42 26.711 -3.332 -4.865 1.00 0.00 C ATOM 643 NZ LYS A 42 25.511 -3.355 -3.994 1.00 0.00 N ATOM 0 H LYS A 42 31.532 -4.244 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 42 29.213 -5.814 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.410 -3.878 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.739 -4.405 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.110 -2.751 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.084 -2.096 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.155 -4.093 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.913 -2.360 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.633 -2.502 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.748 -4.247 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.658 -3.448 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.572 -4.162 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.461 -2.471 -3.449 1.00 0.00 H new ATOM 657 N LYS A 43 31.642 -6.584 -6.575 1.00 0.00 N ATOM 658 CA LYS A 43 32.187 -7.556 -7.536 1.00 0.00 C ATOM 659 C LYS A 43 32.270 -8.978 -6.943 1.00 0.00 C ATOM 660 O LYS A 43 32.211 -9.960 -7.688 1.00 0.00 O ATOM 661 CB LYS A 43 33.580 -7.080 -8.012 1.00 0.00 C ATOM 662 CG LYS A 43 34.629 -6.938 -6.883 1.00 0.00 C ATOM 663 CD LYS A 43 35.954 -6.317 -7.366 1.00 0.00 C ATOM 664 CE LYS A 43 36.646 -7.150 -8.458 1.00 0.00 C ATOM 665 NZ LYS A 43 37.836 -6.453 -9.005 1.00 0.00 N ATOM 0 H LYS A 43 32.331 -5.900 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 43 31.507 -7.610 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.957 -7.784 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.470 -6.118 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.215 -6.321 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.829 -7.920 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.761 -5.315 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.629 -6.209 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.946 -8.114 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.940 -7.353 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.277 -7.043 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.546 -5.545 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.520 -6.282 -8.240 1.00 0.00 H new ATOM 679 N SER A 44 32.403 -9.073 -5.596 1.00 0.00 N ATOM 680 CA SER A 44 32.440 -10.370 -4.883 1.00 0.00 C ATOM 681 C SER A 44 31.143 -11.147 -5.146 1.00 0.00 C ATOM 682 O SER A 44 31.178 -12.363 -5.365 1.00 0.00 O ATOM 683 CB SER A 44 32.652 -10.172 -3.363 1.00 0.00 C ATOM 684 OG SER A 44 32.781 -11.410 -2.677 1.00 0.00 O ATOM 0 H SER A 44 32.486 -8.263 -4.982 1.00 0.00 H new ATOM 0 HA SER A 44 33.285 -10.944 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.546 -9.571 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.812 -9.614 -2.949 1.00 0.00 H new ATOM 0 HG SER A 44 33.644 -11.819 -2.899 1.00 0.00 H new ATOM 690 N ILE A 45 30.009 -10.409 -5.187 1.00 0.00 N ATOM 691 CA ILE A 45 28.696 -10.993 -5.474 1.00 0.00 C ATOM 692 C ILE A 45 28.699 -11.534 -6.923 1.00 0.00 C ATOM 693 O ILE A 45 28.847 -10.783 -7.884 1.00 0.00 O ATOM 694 CB ILE A 45 27.500 -9.961 -5.277 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.360 -9.471 -3.781 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.152 -10.571 -5.767 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.441 -8.533 -3.267 1.00 0.00 C ATOM 0 H ILE A 45 29.987 -9.403 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 45 28.526 -11.799 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 45 27.742 -9.089 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.397 -8.971 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.336 -10.349 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.351 -9.847 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.229 -10.820 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.933 -11.474 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.232 -8.270 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.411 -9.027 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.457 -7.628 -3.875 1.00 0.00 H new ATOM 709 N LYS A 46 28.590 -12.857 -7.029 1.00 0.00 N ATOM 710 CA LYS A 46 28.520 -13.586 -8.297 1.00 0.00 C ATOM 711 C LYS A 46 27.102 -13.516 -8.865 1.00 0.00 C ATOM 712 O LYS A 46 26.887 -13.096 -10.006 1.00 0.00 O ATOM 713 CB LYS A 46 28.920 -15.068 -8.051 1.00 0.00 C ATOM 714 CG LYS A 46 30.300 -15.293 -7.370 1.00 0.00 C ATOM 715 CD LYS A 46 31.530 -15.309 -8.332 1.00 0.00 C ATOM 716 CE LYS A 46 31.860 -13.960 -8.995 1.00 0.00 C ATOM 717 NZ LYS A 46 32.016 -12.851 -8.019 1.00 0.00 N ATOM 0 H LYS A 46 28.547 -13.469 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 46 29.205 -13.135 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.152 -15.534 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.920 -15.588 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.451 -14.509 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.270 -16.240 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.404 -15.645 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.350 -16.046 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.780 -14.061 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.069 -13.706 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.051 -11.944 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.209 -12.850 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.898 -12.982 -7.483 1.00 0.00 H new ATOM 731 N SER A 47 26.140 -13.917 -8.027 1.00 0.00 N ATOM 732 CA SER A 47 24.746 -14.091 -8.429 1.00 0.00 C ATOM 733 C SER A 47 23.809 -13.695 -7.282 1.00 0.00 C ATOM 734 O SER A 47 24.099 -13.957 -6.107 1.00 0.00 O ATOM 735 CB SER A 47 24.509 -15.570 -8.826 1.00 0.00 C ATOM 736 OG SER A 47 25.345 -15.961 -9.909 1.00 0.00 O ATOM 0 H SER A 47 26.311 -14.131 -7.044 1.00 0.00 H new ATOM 0 HA SER A 47 24.534 -13.448 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.700 -16.213 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.464 -15.710 -9.103 1.00 0.00 H new ATOM 0 HG SER A 47 25.172 -16.899 -10.134 1.00 0.00 H new ATOM 742 N VAL A 48 22.696 -13.042 -7.636 1.00 0.00 N ATOM 743 CA VAL A 48 21.586 -12.772 -6.714 1.00 0.00 C ATOM 744 C VAL A 48 20.490 -13.829 -6.959 1.00 0.00 C ATOM 745 O VAL A 48 19.868 -13.874 -8.027 1.00 0.00 O ATOM 746 CB VAL A 48 21.022 -11.296 -6.864 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.691 -10.940 -8.341 1.00 0.00 C ATOM 748 CG2 VAL A 48 19.799 -11.068 -5.923 1.00 0.00 C ATOM 0 H VAL A 48 22.539 -12.683 -8.578 1.00 0.00 H new ATOM 0 HA VAL A 48 21.947 -12.843 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 48 21.812 -10.613 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.308 -9.921 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.594 -11.020 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.938 -11.630 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.431 -10.049 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.007 -11.773 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.103 -11.223 -4.888 1.00 0.00 H new ATOM 758 N GLU A 49 20.315 -14.721 -5.979 1.00 0.00 N ATOM 759 CA GLU A 49 19.317 -15.807 -6.033 1.00 0.00 C ATOM 760 C GLU A 49 18.131 -15.471 -5.115 1.00 0.00 C ATOM 761 O GLU A 49 18.151 -14.455 -4.398 1.00 0.00 O ATOM 762 CB GLU A 49 19.976 -17.164 -5.641 1.00 0.00 C ATOM 763 CG GLU A 49 21.236 -17.540 -6.458 1.00 0.00 C ATOM 764 CD GLU A 49 20.971 -17.736 -7.965 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.602 -18.857 -8.373 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.117 -16.764 -8.747 1.00 0.00 O ATOM 0 H GLU A 49 20.863 -14.714 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 49 18.940 -15.903 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.243 -17.129 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.237 -17.957 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.986 -16.759 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.659 -18.458 -6.051 1.00 0.00 H new ATOM 773 N ASP A 50 17.090 -16.320 -5.159 1.00 0.00 N ATOM 774 CA ASP A 50 15.867 -16.121 -4.365 1.00 0.00 C ATOM 775 C ASP A 50 16.174 -16.292 -2.861 1.00 0.00 C ATOM 776 O ASP A 50 16.348 -17.418 -2.376 1.00 0.00 O ATOM 777 CB ASP A 50 14.759 -17.096 -4.835 1.00 0.00 C ATOM 778 CG ASP A 50 13.444 -16.934 -4.056 1.00 0.00 C ATOM 779 OD1 ASP A 50 12.724 -15.942 -4.290 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.129 -17.791 -3.199 1.00 0.00 O ATOM 0 H ASP A 50 17.073 -17.157 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 50 15.502 -15.105 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.568 -16.935 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.115 -18.121 -4.727 1.00 0.00 H new ATOM 785 N GLY A 51 16.290 -15.145 -2.156 1.00 0.00 N ATOM 786 CA GLY A 51 16.638 -15.119 -0.731 1.00 0.00 C ATOM 787 C GLY A 51 18.103 -15.465 -0.455 1.00 0.00 C ATOM 788 O GLY A 51 18.455 -15.785 0.679 1.00 0.00 O ATOM 0 H GLY A 51 16.145 -14.221 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.425 -14.128 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.000 -15.822 -0.196 1.00 0.00 H new ATOM 792 N ARG A 52 18.962 -15.375 -1.496 1.00 0.00 N ATOM 793 CA ARG A 52 20.400 -15.711 -1.392 1.00 0.00 C ATOM 794 C ARG A 52 21.250 -14.656 -2.120 1.00 0.00 C ATOM 795 O ARG A 52 20.870 -14.178 -3.191 1.00 0.00 O ATOM 796 CB ARG A 52 20.705 -17.105 -2.011 1.00 0.00 C ATOM 797 CG ARG A 52 19.903 -18.281 -1.418 1.00 0.00 C ATOM 798 CD ARG A 52 20.187 -19.620 -2.122 1.00 0.00 C ATOM 799 NE ARG A 52 21.609 -20.017 -2.054 1.00 0.00 N ATOM 800 CZ ARG A 52 22.049 -21.246 -1.741 1.00 0.00 C ATOM 801 NH1 ARG A 52 21.211 -22.180 -1.315 1.00 0.00 N ATOM 802 NH2 ARG A 52 23.333 -21.522 -1.812 1.00 0.00 N ATOM 0 H ARG A 52 18.679 -15.069 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 52 20.651 -15.730 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.511 -17.058 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.768 -17.314 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.140 -18.377 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.838 -18.059 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.576 -20.400 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.885 -19.546 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 52 22.308 -19.304 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.217 -21.969 -1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.560 -23.110 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 52 23.994 -20.802 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.668 -22.456 -1.574 1.00 0.00 H new ATOM 816 N ILE A 53 22.399 -14.293 -1.522 1.00 0.00 N ATOM 817 CA ILE A 53 23.439 -13.496 -2.190 1.00 0.00 C ATOM 818 C ILE A 53 24.712 -14.353 -2.292 1.00 0.00 C ATOM 819 O ILE A 53 25.436 -14.523 -1.308 1.00 0.00 O ATOM 820 CB ILE A 53 23.748 -12.152 -1.415 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.494 -11.223 -1.344 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.946 -11.393 -2.031 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.989 -10.723 -2.697 1.00 0.00 C ATOM 0 H ILE A 53 22.631 -14.545 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 53 23.082 -13.214 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 53 24.017 -12.437 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.687 -11.763 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.732 -10.362 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.124 -10.476 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.835 -12.022 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.725 -11.145 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.117 -10.086 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.775 -10.152 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.714 -11.574 -3.320 1.00 0.00 H new ATOM 835 N VAL A 54 24.965 -14.905 -3.484 1.00 0.00 N ATOM 836 CA VAL A 54 26.142 -15.746 -3.742 1.00 0.00 C ATOM 837 C VAL A 54 27.361 -14.848 -3.954 1.00 0.00 C ATOM 838 O VAL A 54 27.345 -14.006 -4.847 1.00 0.00 O ATOM 839 CB VAL A 54 25.925 -16.665 -5.002 1.00 0.00 C ATOM 840 CG1 VAL A 54 27.143 -17.591 -5.256 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.614 -17.477 -4.863 1.00 0.00 C ATOM 0 H VAL A 54 24.361 -14.782 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 54 26.302 -16.396 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 54 25.833 -16.019 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.954 -18.209 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.033 -16.984 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.300 -18.232 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.481 -18.106 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.667 -18.104 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.770 -16.793 -4.775 1.00 0.00 H new ATOM 851 N ILE A 55 28.374 -14.994 -3.091 1.00 0.00 N ATOM 852 CA ILE A 55 29.678 -14.327 -3.241 1.00 0.00 C ATOM 853 C ILE A 55 30.759 -15.385 -3.543 1.00 0.00 C ATOM 854 O ILE A 55 30.691 -16.517 -3.053 1.00 0.00 O ATOM 855 CB ILE A 55 30.072 -13.476 -1.970 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.149 -14.364 -0.690 1.00 0.00 C ATOM 857 CG2 ILE A 55 29.084 -12.298 -1.761 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.644 -13.650 0.551 1.00 0.00 C ATOM 0 H ILE A 55 28.313 -15.583 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 55 29.602 -13.625 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 55 31.064 -13.062 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.158 -14.771 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.806 -15.210 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.378 -11.728 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 55 29.103 -11.648 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.076 -12.689 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.663 -14.347 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.649 -13.267 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.976 -12.821 0.785 1.00 0.00 H new ATOM 870 N GLY A 56 31.757 -15.002 -4.350 1.00 0.00 N ATOM 871 CA GLY A 56 32.744 -15.943 -4.886 1.00 0.00 C ATOM 872 C GLY A 56 34.079 -15.821 -4.208 1.00 0.00 C ATOM 873 O GLY A 56 34.591 -16.791 -3.650 1.00 0.00 O ATOM 0 H GLY A 56 31.901 -14.037 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.372 -16.961 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.865 -15.768 -5.955 1.00 0.00 H new ATOM 877 N GLU A 57 34.620 -14.600 -4.245 1.00 0.00 N ATOM 878 CA GLU A 57 35.993 -14.304 -3.804 1.00 0.00 C ATOM 879 C GLU A 57 36.092 -12.868 -3.271 1.00 0.00 C ATOM 880 O GLU A 57 35.461 -11.947 -3.809 1.00 0.00 O ATOM 881 CB GLU A 57 37.019 -14.525 -4.963 1.00 0.00 C ATOM 882 CG GLU A 57 36.853 -13.617 -6.216 1.00 0.00 C ATOM 883 CD GLU A 57 35.509 -13.800 -6.952 1.00 0.00 C ATOM 884 OE1 GLU A 57 35.371 -14.763 -7.735 1.00 0.00 O ATOM 885 OE2 GLU A 57 34.571 -12.994 -6.721 1.00 0.00 O ATOM 0 H GLU A 57 34.116 -13.780 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 57 36.240 -14.994 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.022 -14.377 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.954 -15.565 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.950 -12.575 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.667 -13.823 -6.911 1.00 0.00 H new ATOM 892 N PHE A 58 36.879 -12.713 -2.202 1.00 0.00 N ATOM 893 CA PHE A 58 37.183 -11.423 -1.570 1.00 0.00 C ATOM 894 C PHE A 58 38.314 -11.645 -0.560 1.00 0.00 C ATOM 895 O PHE A 58 38.414 -12.730 0.044 1.00 0.00 O ATOM 896 CB PHE A 58 35.933 -10.802 -0.859 1.00 0.00 C ATOM 897 CG PHE A 58 35.435 -11.585 0.362 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.692 -12.758 0.208 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.734 -11.164 1.660 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.281 -13.480 1.306 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.311 -11.887 2.756 1.00 0.00 C ATOM 902 CZ PHE A 58 34.589 -13.044 2.578 1.00 0.00 C ATOM 0 H PHE A 58 37.334 -13.500 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 58 37.485 -10.714 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.177 -9.786 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.121 -10.728 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.437 -13.102 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.305 -10.259 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.716 -14.390 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.547 -11.545 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.262 -13.613 3.436 1.00 0.00 H new ATOM 912 N ASP A 59 39.183 -10.642 -0.392 1.00 0.00 N ATOM 913 CA ASP A 59 40.205 -10.671 0.657 1.00 0.00 C ATOM 914 C ASP A 59 39.538 -10.378 2.002 1.00 0.00 C ATOM 915 O ASP A 59 39.114 -9.253 2.252 1.00 0.00 O ATOM 916 CB ASP A 59 41.355 -9.678 0.356 1.00 0.00 C ATOM 917 CG ASP A 59 42.226 -10.130 -0.831 1.00 0.00 C ATOM 918 OD1 ASP A 59 41.913 -9.777 -1.990 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.219 -10.862 -0.604 1.00 0.00 O ATOM 0 H ASP A 59 39.198 -9.801 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 59 40.659 -11.661 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.936 -8.695 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.981 -9.571 1.242 1.00 0.00 H new ATOM 924 N GLU A 60 39.402 -11.429 2.832 1.00 0.00 N ATOM 925 CA GLU A 60 38.758 -11.356 4.163 1.00 0.00 C ATOM 926 C GLU A 60 39.540 -10.445 5.124 1.00 0.00 C ATOM 927 O GLU A 60 38.948 -9.829 6.017 1.00 0.00 O ATOM 928 CB GLU A 60 38.598 -12.775 4.768 1.00 0.00 C ATOM 929 CG GLU A 60 39.915 -13.571 4.893 1.00 0.00 C ATOM 930 CD GLU A 60 39.739 -14.934 5.578 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.097 -15.827 4.986 1.00 0.00 O ATOM 932 OE2 GLU A 60 40.240 -15.117 6.711 1.00 0.00 O ATOM 0 H GLU A 60 39.738 -12.363 2.598 1.00 0.00 H new ATOM 0 HA GLU A 60 37.769 -10.918 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.147 -12.686 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.902 -13.343 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.335 -13.724 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.637 -12.980 5.456 1.00 0.00 H new ATOM 939 N GLU A 61 40.866 -10.365 4.919 1.00 0.00 N ATOM 940 CA GLU A 61 41.745 -9.475 5.692 1.00 0.00 C ATOM 941 C GLU A 61 41.431 -8.003 5.382 1.00 0.00 C ATOM 942 O GLU A 61 41.407 -7.155 6.286 1.00 0.00 O ATOM 943 CB GLU A 61 43.231 -9.788 5.400 1.00 0.00 C ATOM 944 CG GLU A 61 43.667 -11.217 5.764 1.00 0.00 C ATOM 945 CD GLU A 61 45.189 -11.399 5.680 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.887 -11.156 6.690 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.702 -11.747 4.598 1.00 0.00 O ATOM 0 H GLU A 61 41.356 -10.915 4.214 1.00 0.00 H new ATOM 0 HA GLU A 61 41.561 -9.649 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.422 -9.623 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.853 -9.081 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.330 -11.452 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.181 -11.925 5.093 1.00 0.00 H new ATOM 954 N GLU A 62 41.176 -7.714 4.094 1.00 0.00 N ATOM 955 CA GLU A 62 40.720 -6.390 3.668 1.00 0.00 C ATOM 956 C GLU A 62 39.289 -6.128 4.176 1.00 0.00 C ATOM 957 O GLU A 62 39.031 -5.079 4.746 1.00 0.00 O ATOM 958 CB GLU A 62 40.805 -6.217 2.130 1.00 0.00 C ATOM 959 CG GLU A 62 42.251 -6.181 1.587 1.00 0.00 C ATOM 960 CD GLU A 62 42.339 -5.857 0.084 1.00 0.00 C ATOM 961 OE1 GLU A 62 42.008 -4.718 -0.310 1.00 0.00 O ATOM 962 OE2 GLU A 62 42.775 -6.711 -0.707 1.00 0.00 O ATOM 0 H GLU A 62 41.280 -8.385 3.333 1.00 0.00 H new ATOM 0 HA GLU A 62 41.388 -5.650 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.267 -7.035 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.298 -5.294 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.821 -5.437 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.723 -7.146 1.770 1.00 0.00 H new ATOM 969 N ALA A 63 38.396 -7.118 4.024 1.00 0.00 N ATOM 970 CA ALA A 63 36.963 -6.997 4.371 1.00 0.00 C ATOM 971 C ALA A 63 36.760 -6.648 5.859 1.00 0.00 C ATOM 972 O ALA A 63 35.837 -5.899 6.205 1.00 0.00 O ATOM 973 CB ALA A 63 36.223 -8.297 4.021 1.00 0.00 C ATOM 0 H ALA A 63 38.646 -8.035 3.654 1.00 0.00 H new ATOM 0 HA ALA A 63 36.548 -6.178 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.169 -8.197 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.317 -8.493 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.657 -9.125 4.581 1.00 0.00 H new ATOM 979 N ARG A 64 37.628 -7.206 6.732 1.00 0.00 N ATOM 980 CA ARG A 64 37.582 -6.942 8.183 1.00 0.00 C ATOM 981 C ARG A 64 38.149 -5.546 8.530 1.00 0.00 C ATOM 982 O ARG A 64 37.579 -4.851 9.368 1.00 0.00 O ATOM 983 CB ARG A 64 38.311 -8.054 8.997 1.00 0.00 C ATOM 984 CG ARG A 64 39.836 -8.123 8.804 1.00 0.00 C ATOM 985 CD ARG A 64 40.491 -9.298 9.539 1.00 0.00 C ATOM 986 NE ARG A 64 39.922 -10.592 9.105 1.00 0.00 N ATOM 987 CZ ARG A 64 40.617 -11.657 8.680 1.00 0.00 C ATOM 988 NH1 ARG A 64 41.937 -11.605 8.574 1.00 0.00 N ATOM 989 NH2 ARG A 64 39.975 -12.765 8.359 1.00 0.00 N ATOM 0 H ARG A 64 38.372 -7.845 6.452 1.00 0.00 H new ATOM 0 HA ARG A 64 36.531 -6.955 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.103 -7.901 10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.884 -9.019 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 64 40.057 -8.202 7.739 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.281 -7.192 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 64 41.565 -9.291 9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 64 40.352 -9.180 10.614 1.00 0.00 H new ATOM 0 HE ARG A 64 38.906 -10.683 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 64 42.435 -10.748 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 64 42.455 -12.422 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.959 -12.806 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.495 -13.580 8.035 1.00 0.00 H new ATOM 1003 N GLU A 65 39.274 -5.135 7.888 1.00 0.00 N ATOM 1004 CA GLU A 65 39.941 -3.842 8.216 1.00 0.00 C ATOM 1005 C GLU A 65 39.143 -2.630 7.683 1.00 0.00 C ATOM 1006 O GLU A 65 39.057 -1.595 8.351 1.00 0.00 O ATOM 1007 CB GLU A 65 41.411 -3.795 7.717 1.00 0.00 C ATOM 1008 CG GLU A 65 41.596 -3.927 6.198 1.00 0.00 C ATOM 1009 CD GLU A 65 43.064 -3.879 5.748 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.716 -4.940 5.681 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.570 -2.772 5.462 1.00 0.00 O ATOM 0 H GLU A 65 39.734 -5.669 7.151 1.00 0.00 H new ATOM 0 HA GLU A 65 39.962 -3.777 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.856 -2.854 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.968 -4.595 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.155 -4.867 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.047 -3.126 5.703 1.00 0.00 H new ATOM 1018 N LEU A 66 38.577 -2.757 6.470 1.00 0.00 N ATOM 1019 CA LEU A 66 37.718 -1.718 5.879 1.00 0.00 C ATOM 1020 C LEU A 66 36.269 -1.856 6.397 1.00 0.00 C ATOM 1021 O LEU A 66 35.468 -0.922 6.270 1.00 0.00 O ATOM 1022 CB LEU A 66 37.846 -1.707 4.314 1.00 0.00 C ATOM 1023 CG LEU A 66 37.268 -2.922 3.502 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.778 -2.766 3.187 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.067 -3.187 2.202 1.00 0.00 C ATOM 0 H LEU A 66 38.701 -3.577 5.876 1.00 0.00 H new ATOM 0 HA LEU A 66 38.058 -0.735 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.358 -0.803 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.905 -1.619 4.069 1.00 0.00 H new ATOM 0 HG LEU A 66 37.378 -3.789 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.432 -3.634 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.216 -2.689 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.624 -1.865 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.632 -4.035 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.028 -2.304 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.105 -3.409 2.451 1.00 0.00 H new ATOM 1037 N GLY A 67 35.956 -3.035 6.975 1.00 0.00 N ATOM 1038 CA GLY A 67 34.680 -3.271 7.660 1.00 0.00 C ATOM 1039 C GLY A 67 34.625 -2.610 9.039 1.00 0.00 C ATOM 1040 O GLY A 67 33.577 -2.098 9.445 1.00 0.00 O ATOM 0 H GLY A 67 36.580 -3.842 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.865 -2.890 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.522 -4.344 7.768 1.00 0.00 H new ATOM 1044 N ARG A 68 35.759 -2.649 9.773 1.00 0.00 N ATOM 1045 CA ARG A 68 35.908 -1.931 11.060 1.00 0.00 C ATOM 1046 C ARG A 68 36.143 -0.427 10.801 1.00 0.00 C ATOM 1047 O ARG A 68 35.856 0.409 11.668 1.00 0.00 O ATOM 1048 CB ARG A 68 37.040 -2.534 11.944 1.00 0.00 C ATOM 1049 CG ARG A 68 38.462 -2.349 11.388 1.00 0.00 C ATOM 1050 CD ARG A 68 39.557 -2.938 12.292 1.00 0.00 C ATOM 1051 NE ARG A 68 40.905 -2.682 11.742 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.613 -1.547 11.906 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.146 -0.535 12.641 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.798 -1.432 11.327 1.00 0.00 N ATOM 0 H ARG A 68 36.589 -3.173 9.495 1.00 0.00 H new ATOM 0 HA ARG A 68 34.980 -2.053 11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.990 -2.079 12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.852 -3.600 12.073 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.523 -2.817 10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.652 -1.285 11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.481 -2.504 13.289 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.404 -4.012 12.399 1.00 0.00 H new ATOM 0 HE ARG A 68 41.335 -3.426 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.235 -0.611 13.093 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.700 0.314 12.750 1.00 0.00 H new ATOM 0 HH21 ARG A 68 43.167 -2.198 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.342 -0.577 11.445 1.00 0.00 H new ATOM 1068 N LYS A 69 36.683 -0.091 9.604 1.00 0.00 N ATOM 1069 CA LYS A 69 36.747 1.305 9.122 1.00 0.00 C ATOM 1070 C LYS A 69 35.322 1.823 8.887 1.00 0.00 C ATOM 1071 O LYS A 69 35.033 2.982 9.172 1.00 0.00 O ATOM 1072 CB LYS A 69 37.578 1.429 7.814 1.00 0.00 C ATOM 1073 CG LYS A 69 37.622 2.857 7.208 1.00 0.00 C ATOM 1074 CD LYS A 69 38.419 2.951 5.881 1.00 0.00 C ATOM 1075 CE LYS A 69 37.870 2.031 4.773 1.00 0.00 C ATOM 1076 NZ LYS A 69 36.439 2.282 4.474 1.00 0.00 N ATOM 0 H LYS A 69 37.080 -0.771 8.956 1.00 0.00 H new ATOM 0 HA LYS A 69 37.245 1.905 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.598 1.103 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.166 0.746 7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.602 3.199 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.065 3.537 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.403 3.982 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.461 2.695 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 69 38.456 2.173 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 69 37.996 0.991 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 36.017 1.428 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 35.938 2.522 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 36.358 3.072 3.802 1.00 0.00 H new ATOM 1090 N TRP A 70 34.437 0.937 8.365 1.00 0.00 N ATOM 1091 CA TRP A 70 33.001 1.228 8.247 1.00 0.00 C ATOM 1092 C TRP A 70 32.402 1.485 9.643 1.00 0.00 C ATOM 1093 O TRP A 70 31.731 2.484 9.829 1.00 0.00 O ATOM 1094 CB TRP A 70 32.222 0.102 7.517 1.00 0.00 C ATOM 1095 CG TRP A 70 30.710 0.272 7.574 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.938 1.120 6.822 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.803 -0.411 8.453 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.618 0.991 7.176 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.512 0.065 8.179 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.962 -1.382 9.444 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.389 -0.400 8.856 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.847 -1.837 10.120 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.573 -1.344 9.825 1.00 0.00 C ATOM 0 H TRP A 70 34.702 0.014 8.020 1.00 0.00 H new ATOM 0 HA TRP A 70 32.899 2.125 7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.537 0.071 6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.488 -0.858 7.959 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.313 1.791 6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.841 1.503 6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.942 -1.771 9.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.403 -0.026 8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.961 -2.586 10.889 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.720 -1.716 10.373 1.00 0.00 H new ATOM 1114 N LEU A 71 32.675 0.581 10.618 1.00 0.00 N ATOM 1115 CA LEU A 71 32.203 0.708 12.029 1.00 0.00 C ATOM 1116 C LEU A 71 32.534 2.094 12.630 1.00 0.00 C ATOM 1117 O LEU A 71 31.764 2.642 13.434 1.00 0.00 O ATOM 1118 CB LEU A 71 32.829 -0.414 12.911 1.00 0.00 C ATOM 1119 CG LEU A 71 32.267 -1.856 12.700 1.00 0.00 C ATOM 1120 CD1 LEU A 71 33.093 -2.902 13.484 1.00 0.00 C ATOM 1121 CD2 LEU A 71 30.772 -1.928 13.090 1.00 0.00 C ATOM 0 H LEU A 71 33.229 -0.259 10.452 1.00 0.00 H new ATOM 0 HA LEU A 71 31.118 0.602 12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.903 -0.435 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.691 -0.143 13.958 1.00 0.00 H new ATOM 0 HG LEU A 71 32.353 -2.093 11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.676 -3.895 13.316 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.127 -2.880 13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.059 -2.669 14.548 1.00 0.00 H new ATOM 0 HD21 LEU A 71 30.404 -2.942 12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.656 -1.657 14.139 1.00 0.00 H new ATOM 0 HD23 LEU A 71 30.201 -1.236 12.472 1.00 0.00 H new ATOM 1133 N GLU A 72 33.685 2.641 12.223 1.00 0.00 N ATOM 1134 CA GLU A 72 34.125 3.988 12.606 1.00 0.00 C ATOM 1135 C GLU A 72 33.334 5.076 11.829 1.00 0.00 C ATOM 1136 O GLU A 72 32.658 5.922 12.432 1.00 0.00 O ATOM 1137 CB GLU A 72 35.649 4.110 12.336 1.00 0.00 C ATOM 1138 CG GLU A 72 36.272 5.487 12.638 1.00 0.00 C ATOM 1139 CD GLU A 72 36.131 5.926 14.107 1.00 0.00 C ATOM 1140 OE1 GLU A 72 36.680 5.241 14.994 1.00 0.00 O ATOM 1141 OE2 GLU A 72 35.482 6.960 14.379 1.00 0.00 O ATOM 0 H GLU A 72 34.344 2.157 11.613 1.00 0.00 H new ATOM 0 HA GLU A 72 33.929 4.145 13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.166 3.359 12.932 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.835 3.869 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 72 37.330 5.462 12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.803 6.235 11.999 1.00 0.00 H new