USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 8:sc= 1.03 USER MOD Set 1.2: A 17 SER OG : rot 87:sc= 0.914 USER MOD Single : A 9 MET CE :methyl -175:sc= -0.442 (180deg=-0.508) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.664 (180deg=0.138) USER MOD Single : A 21 SER OG : rot -67:sc= 1.08 USER MOD Single : A 25 TYR OH : rot -42:sc= 0.158 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0291) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -0.011 (180deg=-0.106) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 81:sc= 0.867 USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -0.461 (180deg=-2.15!) USER MOD Single : A 47 SER OG : rot -149:sc= 0.193 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.047) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.287 -8.927 3.399 1.00 0.00 N ATOM 124 CA MET A 9 19.223 -10.123 2.529 1.00 0.00 C ATOM 125 C MET A 9 20.325 -11.115 2.924 1.00 0.00 C ATOM 126 O MET A 9 21.443 -10.707 3.241 1.00 0.00 O ATOM 127 CB MET A 9 19.350 -9.685 1.039 1.00 0.00 C ATOM 128 CG MET A 9 18.872 -10.707 0.001 1.00 0.00 C ATOM 129 SD MET A 9 18.771 -9.961 -1.643 1.00 0.00 S ATOM 130 CE MET A 9 18.078 -11.276 -2.636 1.00 0.00 C ATOM 0 HA MET A 9 18.264 -10.626 2.655 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.784 -8.763 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.395 -9.451 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.557 -11.555 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.895 -11.094 0.289 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.052 -10.968 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.694 -12.170 -2.537 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.065 -11.493 -2.296 1.00 0.00 H new ATOM 140 N TYR A 10 20.006 -12.421 2.907 1.00 0.00 N ATOM 141 CA TYR A 10 20.943 -13.474 3.346 1.00 0.00 C ATOM 142 C TYR A 10 22.054 -13.640 2.287 1.00 0.00 C ATOM 143 O TYR A 10 21.784 -13.555 1.088 1.00 0.00 O ATOM 144 CB TYR A 10 20.197 -14.819 3.586 1.00 0.00 C ATOM 145 CG TYR A 10 20.898 -15.756 4.588 1.00 0.00 C ATOM 146 CD1 TYR A 10 22.063 -16.446 4.248 1.00 0.00 C ATOM 147 CD2 TYR A 10 20.391 -15.951 5.878 1.00 0.00 C ATOM 148 CE1 TYR A 10 22.696 -17.281 5.145 1.00 0.00 C ATOM 149 CE2 TYR A 10 21.024 -16.789 6.778 1.00 0.00 C ATOM 150 CZ TYR A 10 22.169 -17.454 6.404 1.00 0.00 C ATOM 151 OH TYR A 10 22.800 -18.287 7.303 1.00 0.00 O ATOM 0 H TYR A 10 19.103 -12.775 2.593 1.00 0.00 H new ATOM 0 HA TYR A 10 21.394 -13.179 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.191 -14.605 3.947 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.090 -15.338 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 10 22.479 -16.323 3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 10 19.489 -15.438 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 10 23.601 -17.797 4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 10 20.621 -16.921 7.771 1.00 0.00 H new ATOM 0 HH TYR A 10 23.663 -18.571 6.936 1.00 0.00 H new ATOM 161 N VAL A 11 23.293 -13.860 2.748 1.00 0.00 N ATOM 162 CA VAL A 11 24.471 -14.014 1.877 1.00 0.00 C ATOM 163 C VAL A 11 25.105 -15.405 2.087 1.00 0.00 C ATOM 164 O VAL A 11 25.354 -15.813 3.223 1.00 0.00 O ATOM 165 CB VAL A 11 25.536 -12.882 2.154 1.00 0.00 C ATOM 166 CG1 VAL A 11 26.767 -12.998 1.217 1.00 0.00 C ATOM 167 CG2 VAL A 11 24.892 -11.475 2.041 1.00 0.00 C ATOM 0 H VAL A 11 23.510 -13.937 3.742 1.00 0.00 H new ATOM 0 HA VAL A 11 24.143 -13.922 0.842 1.00 0.00 H new ATOM 0 HB VAL A 11 25.891 -13.020 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.473 -12.199 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.250 -13.963 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.444 -12.913 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.646 -10.713 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.490 -11.339 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.087 -11.384 2.770 1.00 0.00 H new ATOM 177 N PHE A 12 25.311 -16.135 0.982 1.00 0.00 N ATOM 178 CA PHE A 12 26.058 -17.407 0.955 1.00 0.00 C ATOM 179 C PHE A 12 27.396 -17.187 0.235 1.00 0.00 C ATOM 180 O PHE A 12 27.430 -16.573 -0.829 1.00 0.00 O ATOM 181 CB PHE A 12 25.248 -18.523 0.230 1.00 0.00 C ATOM 182 CG PHE A 12 24.034 -19.029 1.011 1.00 0.00 C ATOM 183 CD1 PHE A 12 22.876 -18.267 1.113 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.059 -20.269 1.653 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.788 -18.728 1.828 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.966 -20.723 2.366 1.00 0.00 C ATOM 187 CZ PHE A 12 21.832 -19.952 2.456 1.00 0.00 C ATOM 0 H PHE A 12 24.959 -15.857 0.066 1.00 0.00 H new ATOM 0 HA PHE A 12 26.231 -17.731 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.912 -18.143 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.911 -19.364 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.826 -17.303 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.946 -20.882 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.896 -18.123 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.003 -21.686 2.854 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.979 -20.305 3.017 1.00 0.00 H new ATOM 197 N LYS A 13 28.492 -17.676 0.827 1.00 0.00 N ATOM 198 CA LYS A 13 29.815 -17.642 0.202 1.00 0.00 C ATOM 199 C LYS A 13 29.945 -18.861 -0.736 1.00 0.00 C ATOM 200 O LYS A 13 30.457 -19.922 -0.359 1.00 0.00 O ATOM 201 CB LYS A 13 30.920 -17.602 1.291 1.00 0.00 C ATOM 202 CG LYS A 13 32.359 -17.597 0.748 1.00 0.00 C ATOM 203 CD LYS A 13 33.421 -17.562 1.869 1.00 0.00 C ATOM 204 CE LYS A 13 34.831 -17.875 1.349 1.00 0.00 C ATOM 205 NZ LYS A 13 34.936 -19.272 0.842 1.00 0.00 N ATOM 0 H LYS A 13 28.484 -18.106 1.752 1.00 0.00 H new ATOM 0 HA LYS A 13 29.939 -16.739 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.775 -16.713 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.797 -18.464 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.514 -18.484 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.494 -16.732 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.419 -16.577 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.153 -18.282 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.087 -17.178 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.556 -17.723 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.930 -19.577 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.366 -19.902 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.586 -19.314 -0.136 1.00 0.00 H new ATOM 219 N GLY A 14 29.396 -18.701 -1.952 1.00 0.00 N ATOM 220 CA GLY A 14 29.378 -19.754 -2.952 1.00 0.00 C ATOM 221 C GLY A 14 28.419 -20.866 -2.563 1.00 0.00 C ATOM 222 O GLY A 14 27.201 -20.733 -2.733 1.00 0.00 O ATOM 0 H GLY A 14 28.955 -17.834 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.085 -19.338 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.382 -20.162 -3.073 1.00 0.00 H new ATOM 226 N GLU A 15 28.976 -21.957 -2.030 1.00 0.00 N ATOM 227 CA GLU A 15 28.217 -23.151 -1.627 1.00 0.00 C ATOM 228 C GLU A 15 27.914 -23.125 -0.118 1.00 0.00 C ATOM 229 O GLU A 15 26.919 -23.715 0.334 1.00 0.00 O ATOM 230 CB GLU A 15 29.007 -24.443 -1.987 1.00 0.00 C ATOM 231 CG GLU A 15 29.223 -24.696 -3.502 1.00 0.00 C ATOM 232 CD GLU A 15 30.213 -23.723 -4.178 1.00 0.00 C ATOM 233 OE1 GLU A 15 31.431 -23.827 -3.916 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.783 -22.836 -4.946 1.00 0.00 O ATOM 0 H GLU A 15 29.979 -22.040 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 15 27.272 -23.149 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 15 29.982 -24.398 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.480 -25.299 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.584 -25.715 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.261 -24.627 -4.010 1.00 0.00 H new ATOM 241 N GLU A 16 28.787 -22.459 0.664 1.00 0.00 N ATOM 242 CA GLU A 16 28.672 -22.417 2.141 1.00 0.00 C ATOM 243 C GLU A 16 27.859 -21.187 2.573 1.00 0.00 C ATOM 244 O GLU A 16 27.828 -20.172 1.868 1.00 0.00 O ATOM 245 CB GLU A 16 30.081 -22.414 2.825 1.00 0.00 C ATOM 246 CG GLU A 16 30.942 -21.164 2.548 1.00 0.00 C ATOM 247 CD GLU A 16 32.344 -21.209 3.188 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.437 -21.237 4.434 1.00 0.00 O ATOM 249 OE2 GLU A 16 33.357 -21.218 2.451 1.00 0.00 O ATOM 0 H GLU A 16 29.585 -21.939 0.297 1.00 0.00 H new ATOM 0 HA GLU A 16 28.151 -23.318 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.945 -22.510 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.630 -23.295 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.050 -21.043 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.415 -20.284 2.916 1.00 0.00 H new ATOM 256 N SER A 17 27.192 -21.288 3.731 1.00 0.00 N ATOM 257 CA SER A 17 26.449 -20.173 4.334 1.00 0.00 C ATOM 258 C SER A 17 27.441 -19.166 4.934 1.00 0.00 C ATOM 259 O SER A 17 28.298 -19.546 5.739 1.00 0.00 O ATOM 260 CB SER A 17 25.492 -20.719 5.411 1.00 0.00 C ATOM 261 OG SER A 17 24.730 -19.687 6.003 1.00 0.00 O ATOM 0 H SER A 17 27.153 -22.148 4.278 1.00 0.00 H new ATOM 0 HA SER A 17 25.856 -19.662 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.823 -21.455 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.066 -21.235 6.181 1.00 0.00 H new ATOM 0 HG SER A 17 23.919 -19.535 5.474 1.00 0.00 H new ATOM 267 N PHE A 18 27.339 -17.887 4.525 1.00 0.00 N ATOM 268 CA PHE A 18 28.309 -16.858 4.935 1.00 0.00 C ATOM 269 C PHE A 18 27.765 -16.031 6.112 1.00 0.00 C ATOM 270 O PHE A 18 28.351 -16.042 7.196 1.00 0.00 O ATOM 271 CB PHE A 18 28.641 -15.951 3.722 1.00 0.00 C ATOM 272 CG PHE A 18 29.743 -14.929 3.968 1.00 0.00 C ATOM 273 CD1 PHE A 18 30.981 -15.325 4.477 1.00 0.00 C ATOM 274 CD2 PHE A 18 29.550 -13.578 3.692 1.00 0.00 C ATOM 275 CE1 PHE A 18 31.977 -14.403 4.709 1.00 0.00 C ATOM 276 CE2 PHE A 18 30.549 -12.657 3.924 1.00 0.00 C ATOM 277 CZ PHE A 18 31.759 -13.070 4.428 1.00 0.00 C ATOM 0 H PHE A 18 26.598 -17.544 3.914 1.00 0.00 H new ATOM 0 HA PHE A 18 29.224 -17.344 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.932 -16.583 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 18 27.736 -15.423 3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.160 -16.368 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.604 -13.247 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.927 -14.723 5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.381 -11.612 3.710 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.543 -12.348 4.605 1.00 0.00 H new ATOM 287 N GLY A 19 26.603 -15.387 5.905 1.00 0.00 N ATOM 288 CA GLY A 19 26.030 -14.453 6.882 1.00 0.00 C ATOM 289 C GLY A 19 24.811 -13.727 6.336 1.00 0.00 C ATOM 290 O GLY A 19 24.010 -14.316 5.610 1.00 0.00 O ATOM 0 H GLY A 19 26.041 -15.500 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 19 25.752 -14.998 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.786 -13.723 7.171 1.00 0.00 H new ATOM 294 N GLU A 20 24.682 -12.435 6.670 1.00 0.00 N ATOM 295 CA GLU A 20 23.555 -11.586 6.244 1.00 0.00 C ATOM 296 C GLU A 20 24.041 -10.148 5.992 1.00 0.00 C ATOM 297 O GLU A 20 24.855 -9.625 6.757 1.00 0.00 O ATOM 298 CB GLU A 20 22.440 -11.590 7.332 1.00 0.00 C ATOM 299 CG GLU A 20 22.910 -11.177 8.749 1.00 0.00 C ATOM 300 CD GLU A 20 21.753 -10.954 9.733 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.198 -11.947 10.247 1.00 0.00 O ATOM 302 OE2 GLU A 20 21.375 -9.790 9.981 1.00 0.00 O ATOM 0 H GLU A 20 25.363 -11.943 7.249 1.00 0.00 H new ATOM 0 HA GLU A 20 23.145 -11.987 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.644 -10.915 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.008 -12.589 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 20 23.570 -11.949 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.498 -10.262 8.677 1.00 0.00 H new ATOM 309 N SER A 21 23.558 -9.522 4.909 1.00 0.00 N ATOM 310 CA SER A 21 23.854 -8.118 4.605 1.00 0.00 C ATOM 311 C SER A 21 23.066 -7.201 5.565 1.00 0.00 C ATOM 312 O SER A 21 21.825 -7.244 5.608 1.00 0.00 O ATOM 313 CB SER A 21 23.525 -7.794 3.125 1.00 0.00 C ATOM 314 OG SER A 21 22.168 -8.057 2.811 1.00 0.00 O ATOM 0 H SER A 21 22.954 -9.974 4.223 1.00 0.00 H new ATOM 0 HA SER A 21 24.920 -7.940 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.746 -6.745 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 21 24.169 -8.385 2.473 1.00 0.00 H new ATOM 0 HG SER A 21 22.003 -9.022 2.857 1.00 0.00 H new ATOM 320 N ILE A 22 23.800 -6.413 6.368 1.00 0.00 N ATOM 321 CA ILE A 22 23.217 -5.448 7.319 1.00 0.00 C ATOM 322 C ILE A 22 23.162 -4.054 6.653 1.00 0.00 C ATOM 323 O ILE A 22 22.176 -3.316 6.817 1.00 0.00 O ATOM 324 CB ILE A 22 24.027 -5.455 8.692 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.372 -4.560 9.823 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.518 -5.101 8.484 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.714 -3.071 9.799 1.00 0.00 C ATOM 0 H ILE A 22 24.820 -6.427 6.377 1.00 0.00 H new ATOM 0 HA ILE A 22 22.196 -5.734 7.571 1.00 0.00 H new ATOM 0 HB ILE A 22 23.972 -6.482 9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.289 -4.662 9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.669 -4.963 10.791 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.033 -5.117 9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.975 -5.830 7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.598 -4.106 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.206 -2.568 10.621 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.791 -2.943 9.906 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.389 -2.638 8.853 1.00 0.00 H new ATOM 339 N ASP A 23 24.204 -3.723 5.862 1.00 0.00 N ATOM 340 CA ASP A 23 24.342 -2.393 5.225 1.00 0.00 C ATOM 341 C ASP A 23 25.241 -2.476 3.966 1.00 0.00 C ATOM 342 O ASP A 23 25.741 -3.548 3.627 1.00 0.00 O ATOM 343 CB ASP A 23 24.913 -1.386 6.274 1.00 0.00 C ATOM 344 CG ASP A 23 24.873 0.085 5.821 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.762 0.638 5.701 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.935 0.685 5.559 1.00 0.00 O ATOM 0 H ASP A 23 24.968 -4.363 5.647 1.00 0.00 H new ATOM 0 HA ASP A 23 23.365 -2.041 4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.348 -1.485 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.944 -1.658 6.498 1.00 0.00 H new ATOM 351 N VAL A 24 25.390 -1.338 3.258 1.00 0.00 N ATOM 352 CA VAL A 24 26.340 -1.167 2.145 1.00 0.00 C ATOM 353 C VAL A 24 26.780 0.315 2.086 1.00 0.00 C ATOM 354 O VAL A 24 25.954 1.216 2.290 1.00 0.00 O ATOM 355 CB VAL A 24 25.714 -1.630 0.762 1.00 0.00 C ATOM 356 CG1 VAL A 24 24.371 -0.918 0.474 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.716 -1.445 -0.409 1.00 0.00 C ATOM 0 H VAL A 24 24.843 -0.499 3.449 1.00 0.00 H new ATOM 0 HA VAL A 24 27.209 -1.800 2.322 1.00 0.00 H new ATOM 0 HB VAL A 24 25.504 -2.696 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.974 -1.262 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.659 -1.149 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.532 0.159 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 24 26.253 -1.772 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.990 -0.393 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.610 -2.039 -0.220 1.00 0.00 H new ATOM 367 N TYR A 25 28.083 0.561 1.853 1.00 0.00 N ATOM 368 CA TYR A 25 28.625 1.916 1.620 1.00 0.00 C ATOM 369 C TYR A 25 29.615 1.850 0.440 1.00 0.00 C ATOM 370 O TYR A 25 30.449 0.934 0.385 1.00 0.00 O ATOM 371 CB TYR A 25 29.291 2.505 2.914 1.00 0.00 C ATOM 372 CG TYR A 25 30.737 2.059 3.218 1.00 0.00 C ATOM 373 CD1 TYR A 25 31.040 0.736 3.555 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.806 2.963 3.155 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.340 0.339 3.826 1.00 0.00 C ATOM 376 CE2 TYR A 25 33.107 2.566 3.424 1.00 0.00 C ATOM 377 CZ TYR A 25 33.370 1.256 3.753 1.00 0.00 C ATOM 378 OH TYR A 25 34.669 0.863 4.016 1.00 0.00 O ATOM 0 H TYR A 25 28.791 -0.173 1.821 1.00 0.00 H new ATOM 0 HA TYR A 25 27.811 2.596 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.280 3.592 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.667 2.240 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 25 30.244 0.008 3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.612 3.992 2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 25 32.547 -0.686 4.094 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.913 3.284 3.375 1.00 0.00 H new ATOM 0 HH TYR A 25 34.679 0.266 4.793 1.00 0.00 H new ATOM 388 N GLY A 26 29.497 2.801 -0.500 1.00 0.00 N ATOM 389 CA GLY A 26 30.400 2.888 -1.648 1.00 0.00 C ATOM 390 C GLY A 26 30.360 1.660 -2.559 1.00 0.00 C ATOM 391 O GLY A 26 29.387 1.450 -3.287 1.00 0.00 O ATOM 0 H GLY A 26 28.777 3.524 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.145 3.771 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.419 3.028 -1.287 1.00 0.00 H new ATOM 395 N ASP A 27 31.421 0.841 -2.492 1.00 0.00 N ATOM 396 CA ASP A 27 31.568 -0.388 -3.304 1.00 0.00 C ATOM 397 C ASP A 27 31.624 -1.640 -2.407 1.00 0.00 C ATOM 398 O ASP A 27 31.936 -2.734 -2.887 1.00 0.00 O ATOM 399 CB ASP A 27 32.859 -0.306 -4.165 1.00 0.00 C ATOM 400 CG ASP A 27 32.883 0.896 -5.119 1.00 0.00 C ATOM 401 OD1 ASP A 27 33.355 1.984 -4.716 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.433 0.760 -6.276 1.00 0.00 O ATOM 0 H ASP A 27 32.211 1.010 -1.869 1.00 0.00 H new ATOM 0 HA ASP A 27 30.699 -0.468 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.724 -0.253 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.958 -1.223 -4.746 1.00 0.00 H new ATOM 407 N TYR A 28 31.299 -1.489 -1.110 1.00 0.00 N ATOM 408 CA TYR A 28 31.449 -2.564 -0.114 1.00 0.00 C ATOM 409 C TYR A 28 30.127 -2.840 0.623 1.00 0.00 C ATOM 410 O TYR A 28 29.640 -2.007 1.397 1.00 0.00 O ATOM 411 CB TYR A 28 32.578 -2.213 0.890 1.00 0.00 C ATOM 412 CG TYR A 28 33.972 -2.134 0.247 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.643 -3.294 -0.152 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.608 -0.911 0.028 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.895 -3.235 -0.737 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.860 -0.850 -0.557 1.00 0.00 C ATOM 417 CZ TYR A 28 36.499 -2.013 -0.937 1.00 0.00 C ATOM 418 OH TYR A 28 37.749 -1.951 -1.519 1.00 0.00 O ATOM 0 H TYR A 28 30.926 -0.621 -0.725 1.00 0.00 H new ATOM 0 HA TYR A 28 31.723 -3.477 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.350 -1.257 1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.594 -2.962 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.174 -4.255 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 28 34.114 0.004 0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.397 -4.143 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 28 36.337 0.106 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 28 38.031 -1.015 -1.589 1.00 0.00 H new ATOM 428 N LEU A 29 29.560 -4.025 0.353 1.00 0.00 N ATOM 429 CA LEU A 29 28.381 -4.559 1.044 1.00 0.00 C ATOM 430 C LEU A 29 28.800 -5.117 2.421 1.00 0.00 C ATOM 431 O LEU A 29 29.514 -6.125 2.498 1.00 0.00 O ATOM 432 CB LEU A 29 27.733 -5.673 0.167 1.00 0.00 C ATOM 433 CG LEU A 29 26.440 -6.345 0.731 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.282 -5.331 0.838 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.029 -7.567 -0.125 1.00 0.00 C ATOM 0 H LEU A 29 29.918 -4.651 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 29 27.648 -3.768 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.497 -5.245 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.477 -6.452 0.001 1.00 0.00 H new ATOM 0 HG LEU A 29 26.665 -6.699 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.397 -5.830 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.570 -4.519 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.060 -4.927 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.126 -8.015 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.837 -7.246 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.834 -8.302 -0.120 1.00 0.00 H new ATOM 447 N ILE A 30 28.379 -4.428 3.493 1.00 0.00 N ATOM 448 CA ILE A 30 28.659 -4.840 4.879 1.00 0.00 C ATOM 449 C ILE A 30 27.813 -6.086 5.231 1.00 0.00 C ATOM 450 O ILE A 30 26.605 -5.976 5.493 1.00 0.00 O ATOM 451 CB ILE A 30 28.344 -3.680 5.908 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.991 -2.329 5.465 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.798 -4.064 7.340 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.503 -2.344 5.433 1.00 0.00 C ATOM 0 H ILE A 30 27.834 -3.568 3.424 1.00 0.00 H new ATOM 0 HA ILE A 30 29.721 -5.075 4.951 1.00 0.00 H new ATOM 0 HB ILE A 30 27.263 -3.542 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.621 -2.070 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.661 -1.542 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.569 -3.248 8.025 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.273 -4.964 7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.872 -4.250 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.870 -1.368 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.886 -2.569 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.845 -3.106 4.732 1.00 0.00 H new ATOM 466 N VAL A 31 28.446 -7.269 5.175 1.00 0.00 N ATOM 467 CA VAL A 31 27.812 -8.543 5.534 1.00 0.00 C ATOM 468 C VAL A 31 28.271 -8.976 6.937 1.00 0.00 C ATOM 469 O VAL A 31 29.452 -9.281 7.152 1.00 0.00 O ATOM 470 CB VAL A 31 28.137 -9.670 4.483 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.405 -10.986 4.832 1.00 0.00 C ATOM 472 CG2 VAL A 31 27.804 -9.206 3.044 1.00 0.00 C ATOM 0 H VAL A 31 29.417 -7.366 4.878 1.00 0.00 H new ATOM 0 HA VAL A 31 26.732 -8.394 5.534 1.00 0.00 H new ATOM 0 HB VAL A 31 29.208 -9.866 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.648 -11.746 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.721 -11.328 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.329 -10.814 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.039 -10.005 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.744 -8.963 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.395 -8.323 2.801 1.00 0.00 H new ATOM 482 N LYS A 32 27.326 -8.981 7.885 1.00 0.00 N ATOM 483 CA LYS A 32 27.555 -9.437 9.256 1.00 0.00 C ATOM 484 C LYS A 32 27.598 -10.982 9.296 1.00 0.00 C ATOM 485 O LYS A 32 26.628 -11.642 8.905 1.00 0.00 O ATOM 486 CB LYS A 32 26.437 -8.889 10.188 1.00 0.00 C ATOM 487 CG LYS A 32 26.459 -9.461 11.626 1.00 0.00 C ATOM 488 CD LYS A 32 27.796 -9.210 12.366 1.00 0.00 C ATOM 489 CE LYS A 32 27.852 -9.915 13.727 1.00 0.00 C ATOM 490 NZ LYS A 32 26.760 -9.473 14.636 1.00 0.00 N ATOM 0 H LYS A 32 26.371 -8.664 7.717 1.00 0.00 H new ATOM 0 HA LYS A 32 28.514 -9.058 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.526 -7.804 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.468 -9.108 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.646 -9.016 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.270 -10.534 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.622 -9.557 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.933 -8.138 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.785 -10.993 13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.815 -9.717 14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.878 -9.925 15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.797 -8.440 14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.841 -9.746 14.233 1.00 0.00 H new ATOM 504 N VAL A 33 28.743 -11.546 9.745 1.00 0.00 N ATOM 505 CA VAL A 33 28.927 -13.006 9.926 1.00 0.00 C ATOM 506 C VAL A 33 29.555 -13.254 11.319 1.00 0.00 C ATOM 507 O VAL A 33 30.398 -12.470 11.761 1.00 0.00 O ATOM 508 CB VAL A 33 29.820 -13.661 8.774 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.545 -13.004 7.401 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.334 -13.660 9.090 1.00 0.00 C ATOM 0 H VAL A 33 29.568 -11.000 9.993 1.00 0.00 H new ATOM 0 HA VAL A 33 27.951 -13.487 9.860 1.00 0.00 H new ATOM 0 HB VAL A 33 29.517 -14.707 8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.169 -13.474 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.495 -13.134 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.777 -11.940 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 33 31.878 -14.119 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.677 -12.634 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.515 -14.226 10.004 1.00 0.00 H new ATOM 520 N GLY A 34 29.121 -14.334 11.999 1.00 0.00 N ATOM 521 CA GLY A 34 29.675 -14.738 13.304 1.00 0.00 C ATOM 522 C GLY A 34 29.639 -13.629 14.368 1.00 0.00 C ATOM 523 O GLY A 34 28.610 -13.412 15.018 1.00 0.00 O ATOM 0 H GLY A 34 28.380 -14.947 11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 34 29.118 -15.599 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.707 -15.061 13.165 1.00 0.00 H new ATOM 527 N THR A 35 30.772 -12.919 14.510 1.00 0.00 N ATOM 528 CA THR A 35 30.952 -11.811 15.475 1.00 0.00 C ATOM 529 C THR A 35 31.408 -10.507 14.751 1.00 0.00 C ATOM 530 O THR A 35 31.275 -9.399 15.290 1.00 0.00 O ATOM 531 CB THR A 35 31.994 -12.245 16.568 1.00 0.00 C ATOM 532 OG1 THR A 35 31.556 -13.474 17.179 1.00 0.00 O ATOM 533 CG2 THR A 35 32.201 -11.199 17.677 1.00 0.00 C ATOM 0 H THR A 35 31.605 -13.099 13.949 1.00 0.00 H new ATOM 0 HA THR A 35 29.998 -11.595 15.956 1.00 0.00 H new ATOM 0 HB THR A 35 32.948 -12.363 16.053 1.00 0.00 H new ATOM 0 HG1 THR A 35 32.204 -13.750 17.861 1.00 0.00 H new ATOM 0 HG21 THR A 35 32.934 -11.569 18.394 1.00 0.00 H new ATOM 0 HG22 THR A 35 32.561 -10.269 17.237 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.255 -11.017 18.186 1.00 0.00 H new ATOM 541 N GLU A 36 31.890 -10.648 13.497 1.00 0.00 N ATOM 542 CA GLU A 36 32.552 -9.557 12.735 1.00 0.00 C ATOM 543 C GLU A 36 31.736 -9.138 11.487 1.00 0.00 C ATOM 544 O GLU A 36 30.807 -9.832 11.069 1.00 0.00 O ATOM 545 CB GLU A 36 33.970 -10.028 12.317 1.00 0.00 C ATOM 546 CG GLU A 36 33.980 -11.345 11.517 1.00 0.00 C ATOM 547 CD GLU A 36 35.384 -11.805 11.115 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.891 -11.350 10.072 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.991 -12.613 11.845 1.00 0.00 O ATOM 0 H GLU A 36 31.832 -11.525 12.979 1.00 0.00 H new ATOM 0 HA GLU A 36 32.619 -8.680 13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 36 34.440 -9.247 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.579 -10.153 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.507 -12.126 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.376 -11.219 10.618 1.00 0.00 H new ATOM 556 N PHE A 37 32.113 -7.990 10.901 1.00 0.00 N ATOM 557 CA PHE A 37 31.474 -7.424 9.696 1.00 0.00 C ATOM 558 C PHE A 37 32.469 -7.446 8.520 1.00 0.00 C ATOM 559 O PHE A 37 33.488 -6.732 8.548 1.00 0.00 O ATOM 560 CB PHE A 37 31.009 -5.965 9.968 1.00 0.00 C ATOM 561 CG PHE A 37 29.944 -5.811 11.063 1.00 0.00 C ATOM 562 CD1 PHE A 37 30.289 -5.866 12.419 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.603 -5.595 10.741 1.00 0.00 C ATOM 564 CE1 PHE A 37 29.331 -5.717 13.406 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.647 -5.446 11.731 1.00 0.00 C ATOM 566 CZ PHE A 37 28.012 -5.503 13.061 1.00 0.00 C ATOM 0 H PHE A 37 32.881 -7.419 11.254 1.00 0.00 H new ATOM 0 HA PHE A 37 30.603 -8.028 9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.879 -5.369 10.243 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.617 -5.547 9.041 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.320 -6.027 12.699 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.307 -5.543 9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.615 -5.768 14.447 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.613 -5.285 11.462 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.265 -5.380 13.832 1.00 0.00 H new ATOM 576 N LEU A 38 32.181 -8.281 7.507 1.00 0.00 N ATOM 577 CA LEU A 38 32.981 -8.383 6.270 1.00 0.00 C ATOM 578 C LEU A 38 32.369 -7.478 5.200 1.00 0.00 C ATOM 579 O LEU A 38 31.306 -7.785 4.646 1.00 0.00 O ATOM 580 CB LEU A 38 33.044 -9.847 5.728 1.00 0.00 C ATOM 581 CG LEU A 38 33.916 -10.871 6.520 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.401 -10.466 6.531 1.00 0.00 C ATOM 583 CD2 LEU A 38 33.380 -11.081 7.937 1.00 0.00 C ATOM 0 H LEU A 38 31.379 -8.911 7.522 1.00 0.00 H new ATOM 0 HA LEU A 38 33.999 -8.071 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.026 -10.234 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.415 -9.811 4.704 1.00 0.00 H new ATOM 0 HG LEU A 38 33.848 -11.826 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.975 -11.203 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.773 -10.419 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.508 -9.489 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.010 -11.800 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.388 -10.132 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.360 -11.461 7.887 1.00 0.00 H new ATOM 595 N ALA A 39 33.037 -6.354 4.940 1.00 0.00 N ATOM 596 CA ALA A 39 32.682 -5.452 3.849 1.00 0.00 C ATOM 597 C ALA A 39 33.192 -6.042 2.523 1.00 0.00 C ATOM 598 O ALA A 39 34.353 -5.837 2.141 1.00 0.00 O ATOM 599 CB ALA A 39 33.277 -4.064 4.121 1.00 0.00 C ATOM 0 H ALA A 39 33.843 -6.044 5.484 1.00 0.00 H new ATOM 0 HA ALA A 39 31.600 -5.343 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.013 -3.389 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.879 -3.675 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.362 -4.141 4.191 1.00 0.00 H new ATOM 605 N VAL A 40 32.321 -6.811 1.852 1.00 0.00 N ATOM 606 CA VAL A 40 32.661 -7.515 0.605 1.00 0.00 C ATOM 607 C VAL A 40 32.442 -6.571 -0.602 1.00 0.00 C ATOM 608 O VAL A 40 31.445 -5.844 -0.629 1.00 0.00 O ATOM 609 CB VAL A 40 31.821 -8.852 0.448 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.018 -9.770 1.677 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.313 -8.581 0.205 1.00 0.00 C ATOM 0 H VAL A 40 31.360 -6.963 2.159 1.00 0.00 H new ATOM 0 HA VAL A 40 33.712 -7.801 0.642 1.00 0.00 H new ATOM 0 HB VAL A 40 32.200 -9.361 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.433 -10.681 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.073 -10.027 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.687 -9.250 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.785 -9.529 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.903 -8.024 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.190 -7.999 -0.708 1.00 0.00 H new ATOM 621 N PRO A 41 33.380 -6.528 -1.606 1.00 0.00 N ATOM 622 CA PRO A 41 33.187 -5.719 -2.835 1.00 0.00 C ATOM 623 C PRO A 41 31.973 -6.218 -3.653 1.00 0.00 C ATOM 624 O PRO A 41 31.626 -7.402 -3.598 1.00 0.00 O ATOM 625 CB PRO A 41 34.527 -5.889 -3.597 1.00 0.00 C ATOM 626 CG PRO A 41 35.098 -7.169 -3.075 1.00 0.00 C ATOM 627 CD PRO A 41 34.689 -7.233 -1.619 1.00 0.00 C ATOM 0 HA PRO A 41 32.963 -4.672 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.367 -5.936 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.198 -5.050 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.712 -8.025 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.183 -7.185 -3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.596 -8.262 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.418 -6.743 -0.974 1.00 0.00 H new ATOM 635 N LYS A 42 31.327 -5.307 -4.402 1.00 0.00 N ATOM 636 CA LYS A 42 30.108 -5.625 -5.187 1.00 0.00 C ATOM 637 C LYS A 42 30.422 -6.595 -6.353 1.00 0.00 C ATOM 638 O LYS A 42 29.537 -7.312 -6.834 1.00 0.00 O ATOM 639 CB LYS A 42 29.425 -4.324 -5.708 1.00 0.00 C ATOM 640 CG LYS A 42 29.122 -3.266 -4.615 1.00 0.00 C ATOM 641 CD LYS A 42 28.217 -3.777 -3.459 1.00 0.00 C ATOM 642 CE LYS A 42 26.795 -4.160 -3.916 1.00 0.00 C ATOM 643 NZ LYS A 42 26.097 -3.038 -4.600 1.00 0.00 N ATOM 0 H LYS A 42 31.627 -4.336 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 42 29.408 -6.129 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.067 -3.871 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.491 -4.593 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.065 -2.916 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.643 -2.406 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.687 -4.644 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.148 -3.005 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.851 -5.014 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.211 -4.474 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.104 -3.297 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.137 -2.188 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.561 -2.843 -5.510 1.00 0.00 H new ATOM 657 N LYS A 43 31.699 -6.609 -6.780 1.00 0.00 N ATOM 658 CA LYS A 43 32.212 -7.547 -7.802 1.00 0.00 C ATOM 659 C LYS A 43 32.267 -8.997 -7.263 1.00 0.00 C ATOM 660 O LYS A 43 32.174 -9.956 -8.039 1.00 0.00 O ATOM 661 CB LYS A 43 33.610 -7.082 -8.293 1.00 0.00 C ATOM 662 CG LYS A 43 34.693 -7.033 -7.188 1.00 0.00 C ATOM 663 CD LYS A 43 36.062 -6.509 -7.682 1.00 0.00 C ATOM 664 CE LYS A 43 36.708 -7.396 -8.758 1.00 0.00 C ATOM 665 NZ LYS A 43 38.061 -6.915 -9.139 1.00 0.00 N ATOM 0 H LYS A 43 32.409 -5.968 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 43 31.524 -7.543 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.945 -7.753 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.515 -6.090 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.342 -6.397 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.824 -8.033 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.934 -5.503 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.740 -6.431 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.778 -8.420 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.069 -7.418 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.460 -7.542 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.992 -5.948 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.679 -6.918 -8.303 1.00 0.00 H new ATOM 679 N SER A 44 32.405 -9.139 -5.923 1.00 0.00 N ATOM 680 CA SER A 44 32.413 -10.452 -5.243 1.00 0.00 C ATOM 681 C SER A 44 31.042 -11.144 -5.383 1.00 0.00 C ATOM 682 O SER A 44 30.977 -12.374 -5.441 1.00 0.00 O ATOM 683 CB SER A 44 32.799 -10.297 -3.750 1.00 0.00 C ATOM 684 OG SER A 44 32.857 -11.548 -3.080 1.00 0.00 O ATOM 0 H SER A 44 32.513 -8.349 -5.287 1.00 0.00 H new ATOM 0 HA SER A 44 33.164 -11.079 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.767 -9.802 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.073 -9.654 -3.253 1.00 0.00 H new ATOM 0 HG SER A 44 33.712 -11.985 -3.276 1.00 0.00 H new ATOM 690 N ILE A 45 29.956 -10.337 -5.450 1.00 0.00 N ATOM 691 CA ILE A 45 28.595 -10.853 -5.680 1.00 0.00 C ATOM 692 C ILE A 45 28.537 -11.478 -7.091 1.00 0.00 C ATOM 693 O ILE A 45 28.749 -10.800 -8.101 1.00 0.00 O ATOM 694 CB ILE A 45 27.471 -9.741 -5.509 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.309 -9.270 -4.012 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.103 -10.239 -6.055 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.481 -8.521 -3.400 1.00 0.00 C ATOM 0 H ILE A 45 30.002 -9.323 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 45 28.386 -11.606 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 45 27.800 -8.882 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.428 -8.631 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.110 -10.149 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.353 -9.458 -5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.199 -10.477 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.796 -11.131 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.244 -8.253 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.367 -9.156 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.674 -7.615 -3.975 1.00 0.00 H new ATOM 709 N LYS A 46 28.293 -12.791 -7.128 1.00 0.00 N ATOM 710 CA LYS A 46 28.254 -13.586 -8.358 1.00 0.00 C ATOM 711 C LYS A 46 26.831 -13.666 -8.912 1.00 0.00 C ATOM 712 O LYS A 46 26.591 -13.343 -10.080 1.00 0.00 O ATOM 713 CB LYS A 46 28.804 -15.008 -8.074 1.00 0.00 C ATOM 714 CG LYS A 46 30.224 -15.033 -7.470 1.00 0.00 C ATOM 715 CD LYS A 46 31.299 -14.274 -8.295 1.00 0.00 C ATOM 716 CE LYS A 46 31.701 -14.969 -9.615 1.00 0.00 C ATOM 717 NZ LYS A 46 30.636 -14.940 -10.656 1.00 0.00 N ATOM 0 H LYS A 46 28.114 -13.341 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 46 28.878 -13.101 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.123 -15.518 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.808 -15.575 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.185 -14.603 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.538 -16.071 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.926 -13.276 -8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 32.190 -14.148 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.596 -14.489 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 46 31.962 -16.006 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 31.072 -14.848 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 30.086 -15.822 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 30.006 -14.130 -10.486 1.00 0.00 H new ATOM 731 N SER A 47 25.886 -14.067 -8.050 1.00 0.00 N ATOM 732 CA SER A 47 24.512 -14.366 -8.470 1.00 0.00 C ATOM 733 C SER A 47 23.519 -14.043 -7.340 1.00 0.00 C ATOM 734 O SER A 47 23.800 -14.284 -6.164 1.00 0.00 O ATOM 735 CB SER A 47 24.421 -15.855 -8.876 1.00 0.00 C ATOM 736 OG SER A 47 23.164 -16.169 -9.452 1.00 0.00 O ATOM 0 H SER A 47 26.051 -14.192 -7.051 1.00 0.00 H new ATOM 0 HA SER A 47 24.250 -13.745 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 47 25.214 -16.087 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.585 -16.481 -7.999 1.00 0.00 H new ATOM 0 HG SER A 47 22.935 -17.100 -9.251 1.00 0.00 H new ATOM 742 N VAL A 48 22.363 -13.468 -7.708 1.00 0.00 N ATOM 743 CA VAL A 48 21.249 -13.217 -6.776 1.00 0.00 C ATOM 744 C VAL A 48 20.168 -14.285 -7.015 1.00 0.00 C ATOM 745 O VAL A 48 19.515 -14.285 -8.066 1.00 0.00 O ATOM 746 CB VAL A 48 20.653 -11.773 -6.994 1.00 0.00 C ATOM 747 CG1 VAL A 48 19.452 -11.493 -6.059 1.00 0.00 C ATOM 748 CG2 VAL A 48 21.750 -10.702 -6.811 1.00 0.00 C ATOM 0 H VAL A 48 22.173 -13.163 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 48 21.609 -13.273 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 48 20.282 -11.724 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 48 19.074 -10.488 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 48 18.663 -12.219 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.773 -11.575 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 21.321 -9.712 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 48 22.158 -10.768 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 48 22.546 -10.869 -7.536 1.00 0.00 H new ATOM 758 N GLU A 49 19.982 -15.202 -6.047 1.00 0.00 N ATOM 759 CA GLU A 49 19.070 -16.368 -6.217 1.00 0.00 C ATOM 760 C GLU A 49 18.307 -16.694 -4.924 1.00 0.00 C ATOM 761 O GLU A 49 18.912 -16.795 -3.874 1.00 0.00 O ATOM 762 CB GLU A 49 19.857 -17.641 -6.666 1.00 0.00 C ATOM 763 CG GLU A 49 20.398 -17.615 -8.107 1.00 0.00 C ATOM 764 CD GLU A 49 21.075 -18.938 -8.517 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.354 -19.929 -8.797 1.00 0.00 O ATOM 766 OE2 GLU A 49 22.320 -18.998 -8.553 1.00 0.00 O ATOM 0 H GLU A 49 20.446 -15.166 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 49 18.355 -16.086 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.695 -17.787 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.204 -18.507 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.578 -17.404 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.115 -16.800 -8.206 1.00 0.00 H new ATOM 773 N ASP A 50 16.974 -16.858 -5.038 1.00 0.00 N ATOM 774 CA ASP A 50 16.105 -17.444 -3.981 1.00 0.00 C ATOM 775 C ASP A 50 16.080 -16.600 -2.684 1.00 0.00 C ATOM 776 O ASP A 50 15.932 -17.147 -1.581 1.00 0.00 O ATOM 777 CB ASP A 50 16.529 -18.923 -3.695 1.00 0.00 C ATOM 778 CG ASP A 50 16.335 -19.864 -4.905 1.00 0.00 C ATOM 779 OD1 ASP A 50 17.256 -19.994 -5.742 1.00 0.00 O ATOM 780 OD2 ASP A 50 15.263 -20.503 -4.999 1.00 0.00 O ATOM 0 H ASP A 50 16.458 -16.586 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 50 15.083 -17.437 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.577 -18.941 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.950 -19.302 -2.853 1.00 0.00 H new ATOM 785 N GLY A 51 16.175 -15.262 -2.838 1.00 0.00 N ATOM 786 CA GLY A 51 16.226 -14.341 -1.689 1.00 0.00 C ATOM 787 C GLY A 51 17.586 -14.359 -0.990 1.00 0.00 C ATOM 788 O GLY A 51 17.736 -13.872 0.134 1.00 0.00 O ATOM 0 H GLY A 51 16.218 -14.799 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.008 -13.328 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.449 -14.612 -0.974 1.00 0.00 H new ATOM 792 N ARG A 52 18.584 -14.915 -1.694 1.00 0.00 N ATOM 793 CA ARG A 52 19.944 -15.131 -1.187 1.00 0.00 C ATOM 794 C ARG A 52 20.947 -14.468 -2.143 1.00 0.00 C ATOM 795 O ARG A 52 20.635 -14.225 -3.318 1.00 0.00 O ATOM 796 CB ARG A 52 20.217 -16.658 -1.084 1.00 0.00 C ATOM 797 CG ARG A 52 19.191 -17.439 -0.223 1.00 0.00 C ATOM 798 CD ARG A 52 19.203 -18.955 -0.497 1.00 0.00 C ATOM 799 NE ARG A 52 18.393 -19.701 0.494 1.00 0.00 N ATOM 800 CZ ARG A 52 17.442 -20.608 0.213 1.00 0.00 C ATOM 801 NH1 ARG A 52 17.131 -20.917 -1.041 1.00 0.00 N ATOM 802 NH2 ARG A 52 16.825 -21.220 1.204 1.00 0.00 N ATOM 0 H ARG A 52 18.462 -15.234 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 52 20.052 -14.688 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.226 -17.081 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.212 -16.809 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.403 -17.265 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.192 -17.049 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.818 -19.146 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 52 20.230 -19.320 -0.475 1.00 0.00 H new ATOM 0 HE ARG A 52 18.574 -19.509 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.618 -20.463 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.406 -21.609 -1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.071 -21.003 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.101 -21.911 1.005 1.00 0.00 H new ATOM 816 N ILE A 53 22.151 -14.174 -1.627 1.00 0.00 N ATOM 817 CA ILE A 53 23.233 -13.531 -2.394 1.00 0.00 C ATOM 818 C ILE A 53 24.466 -14.450 -2.414 1.00 0.00 C ATOM 819 O ILE A 53 25.166 -14.585 -1.405 1.00 0.00 O ATOM 820 CB ILE A 53 23.621 -12.125 -1.790 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.382 -11.169 -1.717 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.765 -11.473 -2.601 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.845 -10.701 -3.067 1.00 0.00 C ATOM 0 H ILE A 53 22.404 -14.377 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 53 22.875 -13.367 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 53 23.972 -12.292 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.581 -11.678 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.653 -10.293 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.014 -10.505 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.643 -12.119 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.446 -11.334 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.989 -10.045 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.625 -10.159 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.537 -11.565 -3.655 1.00 0.00 H new ATOM 835 N VAL A 54 24.703 -15.097 -3.562 1.00 0.00 N ATOM 836 CA VAL A 54 25.877 -15.942 -3.778 1.00 0.00 C ATOM 837 C VAL A 54 27.083 -15.052 -4.106 1.00 0.00 C ATOM 838 O VAL A 54 27.075 -14.373 -5.134 1.00 0.00 O ATOM 839 CB VAL A 54 25.617 -16.972 -4.948 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.833 -17.904 -5.165 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.318 -17.784 -4.690 1.00 0.00 C ATOM 0 H VAL A 54 24.081 -15.047 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 54 26.081 -16.511 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 54 25.480 -16.404 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.619 -18.599 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.708 -17.307 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.030 -18.464 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.159 -18.486 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.412 -18.333 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.469 -17.103 -4.627 1.00 0.00 H new ATOM 851 N ILE A 55 28.075 -15.014 -3.203 1.00 0.00 N ATOM 852 CA ILE A 55 29.368 -14.342 -3.435 1.00 0.00 C ATOM 853 C ILE A 55 30.460 -15.418 -3.583 1.00 0.00 C ATOM 854 O ILE A 55 30.414 -16.443 -2.914 1.00 0.00 O ATOM 855 CB ILE A 55 29.751 -13.319 -2.284 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.031 -14.036 -0.920 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.649 -12.241 -2.109 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.562 -13.133 0.182 1.00 0.00 C ATOM 0 H ILE A 55 28.004 -15.451 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 55 29.282 -13.751 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 55 30.676 -12.831 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.108 -14.501 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.749 -14.839 -1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.936 -11.553 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.529 -11.689 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.707 -12.723 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.725 -13.720 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.504 -12.687 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.838 -12.344 0.387 1.00 0.00 H new ATOM 870 N GLY A 56 31.426 -15.189 -4.478 1.00 0.00 N ATOM 871 CA GLY A 56 32.458 -16.186 -4.773 1.00 0.00 C ATOM 872 C GLY A 56 33.587 -16.147 -3.767 1.00 0.00 C ATOM 873 O GLY A 56 33.687 -17.009 -2.883 1.00 0.00 O ATOM 0 H GLY A 56 31.514 -14.323 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.011 -17.180 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.856 -16.011 -5.772 1.00 0.00 H new ATOM 877 N GLU A 57 34.420 -15.116 -3.896 1.00 0.00 N ATOM 878 CA GLU A 57 35.610 -14.924 -3.061 1.00 0.00 C ATOM 879 C GLU A 57 35.941 -13.426 -2.968 1.00 0.00 C ATOM 880 O GLU A 57 35.429 -12.611 -3.742 1.00 0.00 O ATOM 881 CB GLU A 57 36.807 -15.735 -3.631 1.00 0.00 C ATOM 882 CG GLU A 57 37.103 -15.456 -5.114 1.00 0.00 C ATOM 883 CD GLU A 57 38.258 -16.299 -5.664 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.425 -15.860 -5.573 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.006 -17.412 -6.176 1.00 0.00 O ATOM 0 H GLU A 57 34.288 -14.381 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 57 35.410 -15.294 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.698 -15.509 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.604 -16.799 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.206 -15.653 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.340 -14.399 -5.239 1.00 0.00 H new ATOM 892 N PHE A 58 36.783 -13.090 -1.991 1.00 0.00 N ATOM 893 CA PHE A 58 37.155 -11.705 -1.653 1.00 0.00 C ATOM 894 C PHE A 58 38.312 -11.749 -0.646 1.00 0.00 C ATOM 895 O PHE A 58 38.571 -12.802 -0.034 1.00 0.00 O ATOM 896 CB PHE A 58 35.932 -10.934 -1.055 1.00 0.00 C ATOM 897 CG PHE A 58 35.394 -11.533 0.249 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.622 -12.699 0.240 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.697 -10.960 1.480 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.182 -13.265 1.415 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.244 -11.525 2.652 1.00 0.00 C ATOM 902 CZ PHE A 58 34.498 -12.676 2.619 1.00 0.00 C ATOM 0 H PHE A 58 37.238 -13.783 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 58 37.467 -11.175 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.221 -9.899 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.130 -10.917 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.367 -13.162 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.295 -10.061 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.591 -14.168 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.477 -11.061 3.599 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.157 -13.122 3.542 1.00 0.00 H new ATOM 912 N ASP A 59 39.009 -10.620 -0.466 1.00 0.00 N ATOM 913 CA ASP A 59 40.064 -10.492 0.550 1.00 0.00 C ATOM 914 C ASP A 59 39.411 -10.296 1.923 1.00 0.00 C ATOM 915 O ASP A 59 38.994 -9.193 2.259 1.00 0.00 O ATOM 916 CB ASP A 59 41.023 -9.324 0.204 1.00 0.00 C ATOM 917 CG ASP A 59 41.862 -9.600 -1.056 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.923 -10.260 -0.941 1.00 0.00 O ATOM 919 OD2 ASP A 59 41.455 -9.189 -2.164 1.00 0.00 O ATOM 0 H ASP A 59 38.860 -9.774 -1.016 1.00 0.00 H new ATOM 0 HA ASP A 59 40.665 -11.401 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.442 -8.413 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.690 -9.144 1.048 1.00 0.00 H new ATOM 924 N GLU A 60 39.282 -11.404 2.678 1.00 0.00 N ATOM 925 CA GLU A 60 38.579 -11.431 3.972 1.00 0.00 C ATOM 926 C GLU A 60 39.286 -10.573 5.028 1.00 0.00 C ATOM 927 O GLU A 60 38.622 -9.928 5.840 1.00 0.00 O ATOM 928 CB GLU A 60 38.402 -12.889 4.471 1.00 0.00 C ATOM 929 CG GLU A 60 39.717 -13.646 4.743 1.00 0.00 C ATOM 930 CD GLU A 60 39.505 -15.091 5.219 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.409 -16.005 4.367 1.00 0.00 O ATOM 932 OE2 GLU A 60 39.433 -15.318 6.446 1.00 0.00 O ATOM 0 H GLU A 60 39.665 -12.309 2.405 1.00 0.00 H new ATOM 0 HA GLU A 60 37.592 -10.997 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.812 -12.875 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.827 -13.444 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.316 -13.656 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.290 -13.104 5.496 1.00 0.00 H new ATOM 939 N GLU A 61 40.628 -10.559 4.985 1.00 0.00 N ATOM 940 CA GLU A 61 41.456 -9.755 5.899 1.00 0.00 C ATOM 941 C GLU A 61 41.175 -8.260 5.703 1.00 0.00 C ATOM 942 O GLU A 61 40.986 -7.515 6.678 1.00 0.00 O ATOM 943 CB GLU A 61 42.959 -10.069 5.676 1.00 0.00 C ATOM 944 CG GLU A 61 43.931 -9.254 6.563 1.00 0.00 C ATOM 945 CD GLU A 61 45.397 -9.691 6.407 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.848 -10.589 7.151 1.00 0.00 O ATOM 947 OE2 GLU A 61 46.099 -9.154 5.524 1.00 0.00 O ATOM 0 H GLU A 61 41.170 -11.105 4.315 1.00 0.00 H new ATOM 0 HA GLU A 61 41.199 -10.015 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.125 -11.130 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.203 -9.885 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.844 -8.197 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.636 -9.358 7.607 1.00 0.00 H new ATOM 954 N GLU A 62 41.123 -7.836 4.432 1.00 0.00 N ATOM 955 CA GLU A 62 40.814 -6.450 4.084 1.00 0.00 C ATOM 956 C GLU A 62 39.338 -6.127 4.376 1.00 0.00 C ATOM 957 O GLU A 62 39.037 -5.062 4.893 1.00 0.00 O ATOM 958 CB GLU A 62 41.185 -6.140 2.620 1.00 0.00 C ATOM 959 CG GLU A 62 42.686 -6.304 2.325 1.00 0.00 C ATOM 960 CD GLU A 62 43.096 -5.710 0.973 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.395 -4.495 0.918 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.117 -6.436 -0.036 1.00 0.00 O ATOM 0 H GLU A 62 41.293 -8.440 3.628 1.00 0.00 H new ATOM 0 HA GLU A 62 41.425 -5.803 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.618 -6.798 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.885 -5.119 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.261 -5.824 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.941 -7.364 2.343 1.00 0.00 H new ATOM 969 N ALA A 63 38.443 -7.087 4.104 1.00 0.00 N ATOM 970 CA ALA A 63 36.987 -6.914 4.265 1.00 0.00 C ATOM 971 C ALA A 63 36.608 -6.685 5.744 1.00 0.00 C ATOM 972 O ALA A 63 35.727 -5.875 6.036 1.00 0.00 O ATOM 973 CB ALA A 63 36.241 -8.128 3.692 1.00 0.00 C ATOM 0 H ALA A 63 38.707 -8.012 3.764 1.00 0.00 H new ATOM 0 HA ALA A 63 36.688 -6.026 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.167 -7.988 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.472 -8.230 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.553 -9.029 4.220 1.00 0.00 H new ATOM 979 N ARG A 64 37.285 -7.396 6.670 1.00 0.00 N ATOM 980 CA ARG A 64 37.029 -7.252 8.123 1.00 0.00 C ATOM 981 C ARG A 64 37.613 -5.936 8.674 1.00 0.00 C ATOM 982 O ARG A 64 36.989 -5.301 9.524 1.00 0.00 O ATOM 983 CB ARG A 64 37.559 -8.471 8.947 1.00 0.00 C ATOM 984 CG ARG A 64 39.064 -8.779 8.772 1.00 0.00 C ATOM 985 CD ARG A 64 39.616 -9.856 9.731 1.00 0.00 C ATOM 986 NE ARG A 64 38.778 -11.070 9.765 1.00 0.00 N ATOM 987 CZ ARG A 64 39.217 -12.336 9.828 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.495 -12.636 9.649 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.343 -13.300 10.038 1.00 0.00 N ATOM 0 H ARG A 64 38.011 -8.074 6.441 1.00 0.00 H new ATOM 0 HA ARG A 64 35.946 -7.224 8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.362 -8.288 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 64 36.988 -9.356 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.238 -9.102 7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.629 -7.858 8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.627 -10.125 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.687 -9.440 10.736 1.00 0.00 H new ATOM 0 HE ARG A 64 37.768 -10.933 9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.171 -11.896 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.803 -13.607 9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.354 -13.076 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 64 38.656 -14.270 10.089 1.00 0.00 H new ATOM 1003 N GLU A 65 38.808 -5.523 8.192 1.00 0.00 N ATOM 1004 CA GLU A 65 39.489 -4.313 8.717 1.00 0.00 C ATOM 1005 C GLU A 65 38.851 -3.011 8.178 1.00 0.00 C ATOM 1006 O GLU A 65 38.692 -2.039 8.927 1.00 0.00 O ATOM 1007 CB GLU A 65 41.010 -4.343 8.427 1.00 0.00 C ATOM 1008 CG GLU A 65 41.397 -4.349 6.948 1.00 0.00 C ATOM 1009 CD GLU A 65 42.907 -4.472 6.712 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.448 -5.581 6.901 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.559 -3.464 6.354 1.00 0.00 O ATOM 0 H GLU A 65 39.317 -6.002 7.449 1.00 0.00 H new ATOM 0 HA GLU A 65 39.354 -4.322 9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.470 -3.476 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.435 -5.228 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.891 -5.177 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.038 -3.431 6.483 1.00 0.00 H new ATOM 1018 N LEU A 66 38.488 -2.992 6.876 1.00 0.00 N ATOM 1019 CA LEU A 66 37.756 -1.856 6.272 1.00 0.00 C ATOM 1020 C LEU A 66 36.249 -1.986 6.563 1.00 0.00 C ATOM 1021 O LEU A 66 35.476 -1.047 6.347 1.00 0.00 O ATOM 1022 CB LEU A 66 38.112 -1.660 4.759 1.00 0.00 C ATOM 1023 CG LEU A 66 37.541 -2.664 3.695 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.129 -2.280 3.228 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.494 -2.802 2.480 1.00 0.00 C ATOM 0 H LEU A 66 38.690 -3.750 6.224 1.00 0.00 H new ATOM 0 HA LEU A 66 38.083 -0.929 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.785 -0.660 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.199 -1.677 4.674 1.00 0.00 H new ATOM 0 HG LEU A 66 37.470 -3.632 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.779 -3.005 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.452 -2.274 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 36.152 -1.288 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 66 38.069 -3.504 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.621 -1.829 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.463 -3.170 2.818 1.00 0.00 H new ATOM 1037 N GLY A 67 35.853 -3.180 7.037 1.00 0.00 N ATOM 1038 CA GLY A 67 34.572 -3.361 7.708 1.00 0.00 C ATOM 1039 C GLY A 67 34.530 -2.555 9.001 1.00 0.00 C ATOM 1040 O GLY A 67 33.587 -1.804 9.236 1.00 0.00 O ATOM 0 H GLY A 67 36.410 -4.031 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.762 -3.047 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.414 -4.417 7.925 1.00 0.00 H new ATOM 1044 N ARG A 68 35.604 -2.692 9.813 1.00 0.00 N ATOM 1045 CA ARG A 68 35.798 -1.921 11.066 1.00 0.00 C ATOM 1046 C ARG A 68 35.930 -0.412 10.786 1.00 0.00 C ATOM 1047 O ARG A 68 35.548 0.414 11.621 1.00 0.00 O ATOM 1048 CB ARG A 68 37.050 -2.410 11.841 1.00 0.00 C ATOM 1049 CG ARG A 68 36.959 -3.855 12.373 1.00 0.00 C ATOM 1050 CD ARG A 68 38.251 -4.297 13.081 1.00 0.00 C ATOM 1051 NE ARG A 68 38.106 -5.616 13.726 1.00 0.00 N ATOM 1052 CZ ARG A 68 38.249 -5.859 15.041 1.00 0.00 C ATOM 1053 NH1 ARG A 68 38.511 -4.871 15.897 1.00 0.00 N ATOM 1054 NH2 ARG A 68 38.095 -7.096 15.485 1.00 0.00 N ATOM 0 H ARG A 68 36.364 -3.343 9.618 1.00 0.00 H new ATOM 0 HA ARG A 68 34.912 -2.089 11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.918 -2.333 11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.224 -1.739 12.682 1.00 0.00 H new ATOM 0 HG2 ARG A 68 36.122 -3.933 13.067 1.00 0.00 H new ATOM 0 HG3 ARG A 68 36.751 -4.533 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.066 -4.335 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 68 38.525 -3.555 13.831 1.00 0.00 H new ATOM 0 HE ARG A 68 37.879 -6.408 13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 68 38.606 -3.914 15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 68 38.617 -5.072 16.891 1.00 0.00 H new ATOM 0 HH21 ARG A 68 37.871 -7.848 14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 68 38.200 -7.298 16.479 1.00 0.00 H new ATOM 1068 N LYS A 69 36.504 -0.074 9.618 1.00 0.00 N ATOM 1069 CA LYS A 69 36.556 1.310 9.118 1.00 0.00 C ATOM 1070 C LYS A 69 35.127 1.885 9.044 1.00 0.00 C ATOM 1071 O LYS A 69 34.866 2.962 9.571 1.00 0.00 O ATOM 1072 CB LYS A 69 37.232 1.348 7.728 1.00 0.00 C ATOM 1073 CG LYS A 69 37.228 2.715 7.016 1.00 0.00 C ATOM 1074 CD LYS A 69 37.684 2.617 5.536 1.00 0.00 C ATOM 1075 CE LYS A 69 39.146 2.163 5.382 1.00 0.00 C ATOM 1076 NZ LYS A 69 40.093 3.148 5.966 1.00 0.00 N ATOM 0 H LYS A 69 36.944 -0.752 8.995 1.00 0.00 H new ATOM 0 HA LYS A 69 37.146 1.920 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.266 1.021 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.735 0.623 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.225 3.139 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.885 3.401 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.036 1.918 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.560 3.589 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 69 39.280 1.197 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.374 2.022 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 41.069 2.868 5.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 39.902 4.090 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 39.972 3.176 6.999 1.00 0.00 H new ATOM 1090 N TRP A 70 34.199 1.112 8.434 1.00 0.00 N ATOM 1091 CA TRP A 70 32.772 1.477 8.391 1.00 0.00 C ATOM 1092 C TRP A 70 32.195 1.591 9.820 1.00 0.00 C ATOM 1093 O TRP A 70 31.447 2.525 10.104 1.00 0.00 O ATOM 1094 CB TRP A 70 31.943 0.461 7.565 1.00 0.00 C ATOM 1095 CG TRP A 70 30.451 0.732 7.577 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.770 1.647 6.823 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.461 0.084 8.399 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.434 1.601 7.125 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.223 0.652 8.085 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.516 -0.926 9.356 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.049 0.255 8.712 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.354 -1.324 9.979 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.127 -0.737 9.650 1.00 0.00 C ATOM 0 H TRP A 70 34.417 0.232 7.966 1.00 0.00 H new ATOM 0 HA TRP A 70 32.702 2.447 7.899 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.296 0.472 6.534 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.124 -0.541 7.953 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.219 2.308 6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.712 2.183 6.700 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.458 -1.391 9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.104 0.716 8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.390 -2.099 10.731 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.228 -1.073 10.145 1.00 0.00 H new ATOM 1114 N LEU A 71 32.555 0.636 10.716 1.00 0.00 N ATOM 1115 CA LEU A 71 32.106 0.657 12.142 1.00 0.00 C ATOM 1116 C LEU A 71 32.505 1.963 12.854 1.00 0.00 C ATOM 1117 O LEU A 71 31.839 2.388 13.806 1.00 0.00 O ATOM 1118 CB LEU A 71 32.633 -0.571 12.971 1.00 0.00 C ATOM 1119 CG LEU A 71 31.781 -1.881 12.941 1.00 0.00 C ATOM 1120 CD1 LEU A 71 31.779 -2.542 11.563 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.252 -2.884 14.021 1.00 0.00 C ATOM 0 H LEU A 71 33.152 -0.157 10.482 1.00 0.00 H new ATOM 0 HA LEU A 71 31.019 0.592 12.099 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.634 -0.813 12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.732 -0.258 14.010 1.00 0.00 H new ATOM 0 HG LEU A 71 30.755 -1.588 13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.173 -3.448 11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.362 -1.852 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.800 -2.798 11.281 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.639 -3.784 13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.295 -3.146 13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.154 -2.430 15.007 1.00 0.00 H new ATOM 1133 N GLU A 72 33.606 2.565 12.408 1.00 0.00 N ATOM 1134 CA GLU A 72 34.075 3.847 12.925 1.00 0.00 C ATOM 1135 C GLU A 72 33.242 5.006 12.323 1.00 0.00 C ATOM 1136 O GLU A 72 32.625 5.793 13.051 1.00 0.00 O ATOM 1137 CB GLU A 72 35.582 4.026 12.592 1.00 0.00 C ATOM 1138 CG GLU A 72 36.266 5.195 13.323 1.00 0.00 C ATOM 1139 CD GLU A 72 36.323 4.987 14.851 1.00 0.00 C ATOM 1140 OE1 GLU A 72 37.305 4.386 15.343 1.00 0.00 O ATOM 1141 OE2 GLU A 72 35.383 5.406 15.563 1.00 0.00 O ATOM 0 H GLU A 72 34.199 2.175 11.675 1.00 0.00 H new ATOM 0 HA GLU A 72 33.950 3.864 14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.107 3.103 12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.688 4.175 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 72 37.279 5.316 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.730 6.119 13.105 1.00 0.00 H new