USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 36 HIS :FLIP no HE2:sc= 0.00691 F(o=-1.1,f=-0.34) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.347 K(o=-0.34,f=-4.2!) USER MOD Single : A 12 SER OG : rot 42:sc= 0.0995 USER MOD Single : A 13 TYR OH : rot 138:sc= 0.291 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00257 USER MOD Single : A 30 SER OG : rot 88:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.833! C(o=-0.83!,f=-7.7!) USER MOD Single : A 74 SER OG : rot 80:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 11.916 0.668 1.294 1.00 74.32 N ATOM 159 CA SER A 12 12.549 1.824 0.687 1.00 23.30 C ATOM 160 C SER A 12 11.455 2.732 0.099 1.00 41.53 C ATOM 161 O SER A 12 11.485 3.957 0.260 1.00 10.43 O ATOM 162 CB SER A 12 13.542 1.370 -0.388 1.00 5.21 C ATOM 163 OG SER A 12 14.517 0.462 0.166 1.00 13.33 O ATOM 0 HA SER A 12 13.109 2.388 1.433 1.00 23.30 H new ATOM 0 HB2 SER A 12 13.006 0.883 -1.202 1.00 5.21 H new ATOM 0 HB3 SER A 12 14.047 2.238 -0.813 1.00 5.21 H new ATOM 0 HG SER A 12 14.072 -0.164 0.775 1.00 13.33 H new ATOM 169 N TYR A 13 10.480 2.091 -0.538 1.00 72.14 N ATOM 170 CA TYR A 13 9.280 2.739 -1.045 1.00 73.13 C ATOM 171 C TYR A 13 8.479 3.385 0.110 1.00 24.32 C ATOM 172 O TYR A 13 8.074 4.537 0.022 1.00 23.12 O ATOM 173 CB TYR A 13 8.443 1.692 -1.830 1.00 22.51 C ATOM 174 CG TYR A 13 6.951 1.948 -1.908 1.00 14.41 C ATOM 175 CD1 TYR A 13 6.427 2.972 -2.669 1.00 21.44 C ATOM 176 CD2 TYR A 13 6.064 1.134 -1.205 1.00 42.40 C ATOM 177 CE1 TYR A 13 5.068 3.185 -2.722 1.00 53.53 C ATOM 178 CE2 TYR A 13 4.706 1.342 -1.259 1.00 12.33 C ATOM 179 CZ TYR A 13 4.213 2.370 -2.018 1.00 44.23 C ATOM 180 OH TYR A 13 2.859 2.593 -2.069 1.00 25.42 O ATOM 0 H TYR A 13 10.504 1.087 -0.719 1.00 72.14 H new ATOM 0 HA TYR A 13 9.547 3.548 -1.725 1.00 73.13 H new ATOM 0 HB2 TYR A 13 8.834 1.633 -2.846 1.00 22.51 H new ATOM 0 HB3 TYR A 13 8.599 0.716 -1.372 1.00 22.51 H new ATOM 0 HD1 TYR A 13 7.090 3.614 -3.230 1.00 21.44 H new ATOM 0 HD2 TYR A 13 6.452 0.323 -0.606 1.00 42.40 H new ATOM 0 HE1 TYR A 13 4.672 3.994 -3.318 1.00 53.53 H new ATOM 0 HE2 TYR A 13 4.034 0.701 -0.708 1.00 12.33 H new ATOM 0 HH TYR A 13 2.389 1.737 -2.152 1.00 25.42 H new ATOM 190 N VAL A 14 8.285 2.640 1.182 1.00 64.33 N ATOM 191 CA VAL A 14 7.570 3.121 2.357 1.00 75.13 C ATOM 192 C VAL A 14 8.310 4.281 3.030 1.00 1.33 C ATOM 193 O VAL A 14 7.696 5.272 3.427 1.00 50.33 O ATOM 194 CB VAL A 14 7.307 1.986 3.385 1.00 40.11 C ATOM 195 CG1 VAL A 14 6.685 2.548 4.642 1.00 11.42 C ATOM 196 CG2 VAL A 14 6.387 0.928 2.795 1.00 24.21 C ATOM 0 H VAL A 14 8.619 1.680 1.266 1.00 64.33 H new ATOM 0 HA VAL A 14 6.605 3.485 2.004 1.00 75.13 H new ATOM 0 HB VAL A 14 8.264 1.526 3.631 1.00 40.11 H new ATOM 0 HG11 VAL A 14 6.507 1.741 5.352 1.00 11.42 H new ATOM 0 HG12 VAL A 14 7.360 3.280 5.086 1.00 11.42 H new ATOM 0 HG13 VAL A 14 5.739 3.030 4.396 1.00 11.42 H new ATOM 0 HG21 VAL A 14 6.216 0.143 3.531 1.00 24.21 H new ATOM 0 HG22 VAL A 14 5.435 1.384 2.523 1.00 24.21 H new ATOM 0 HG23 VAL A 14 6.850 0.498 1.907 1.00 24.21 H new ATOM 206 N ASN A 15 9.611 4.152 3.173 1.00 1.31 N ATOM 207 CA ASN A 15 10.442 5.198 3.720 1.00 12.20 C ATOM 208 C ASN A 15 10.339 6.449 2.860 1.00 12.34 C ATOM 209 O ASN A 15 10.316 7.572 3.364 1.00 25.22 O ATOM 210 CB ASN A 15 11.882 4.735 3.755 1.00 42.34 C ATOM 211 CG ASN A 15 12.722 5.605 4.628 1.00 23.44 C ATOM 212 OD1 ASN A 15 13.295 6.581 4.195 1.00 3.02 O ATOM 213 ND2 ASN A 15 12.798 5.244 5.863 1.00 34.42 N ATOM 0 H ASN A 15 10.124 3.311 2.910 1.00 1.31 H new ATOM 0 HA ASN A 15 10.104 5.427 4.731 1.00 12.20 H new ATOM 0 HB2 ASN A 15 11.925 3.708 4.117 1.00 42.34 H new ATOM 0 HB3 ASN A 15 12.288 4.734 2.744 1.00 42.34 H new ATOM 0 HD21 ASN A 15 13.358 5.788 6.520 1.00 34.42 H new ATOM 0 HD22 ASN A 15 12.298 4.415 6.184 1.00 34.42 H new ATOM 220 N LYS A 16 10.249 6.236 1.561 1.00 21.31 N ATOM 221 CA LYS A 16 10.088 7.295 0.619 1.00 21.32 C ATOM 222 C LYS A 16 8.743 7.979 0.850 1.00 53.11 C ATOM 223 O LYS A 16 8.663 9.196 0.818 1.00 44.14 O ATOM 224 CB LYS A 16 10.214 6.729 -0.782 1.00 40.54 C ATOM 225 CG LYS A 16 10.163 7.722 -1.892 1.00 22.22 C ATOM 226 CD LYS A 16 10.482 7.020 -3.184 1.00 43.11 C ATOM 227 CE LYS A 16 10.437 7.963 -4.354 1.00 53.11 C ATOM 228 NZ LYS A 16 10.917 7.323 -5.593 1.00 3.35 N ATOM 0 H LYS A 16 10.288 5.308 1.139 1.00 21.31 H new ATOM 0 HA LYS A 16 10.863 8.051 0.746 1.00 21.32 H new ATOM 0 HB2 LYS A 16 11.156 6.185 -0.850 1.00 40.54 H new ATOM 0 HB3 LYS A 16 9.415 6.003 -0.933 1.00 40.54 H new ATOM 0 HG2 LYS A 16 9.175 8.179 -1.945 1.00 22.22 H new ATOM 0 HG3 LYS A 16 10.877 8.526 -1.713 1.00 22.22 H new ATOM 0 HD2 LYS A 16 11.472 6.568 -3.118 1.00 43.11 H new ATOM 0 HD3 LYS A 16 9.771 6.209 -3.343 1.00 43.11 H new ATOM 0 HE2 LYS A 16 9.415 8.314 -4.499 1.00 53.11 H new ATOM 0 HE3 LYS A 16 11.048 8.840 -4.138 1.00 53.11 H new ATOM 0 HZ1 LYS A 16 10.871 8.005 -6.377 1.00 3.35 H new ATOM 0 HZ2 LYS A 16 11.900 7.011 -5.464 1.00 3.35 H new ATOM 0 HZ3 LYS A 16 10.319 6.501 -5.814 1.00 3.35 H new ATOM 242 N ILE A 17 7.705 7.185 1.132 1.00 13.10 N ATOM 243 CA ILE A 17 6.401 7.705 1.490 1.00 12.22 C ATOM 244 C ILE A 17 6.534 8.558 2.756 1.00 30.42 C ATOM 245 O ILE A 17 6.017 9.681 2.812 1.00 65.22 O ATOM 246 CB ILE A 17 5.388 6.565 1.774 1.00 64.33 C ATOM 247 CG1 ILE A 17 5.191 5.668 0.551 1.00 74.11 C ATOM 248 CG2 ILE A 17 4.071 7.139 2.224 1.00 41.31 C ATOM 249 CD1 ILE A 17 4.251 4.502 0.790 1.00 50.22 C ATOM 0 H ILE A 17 7.755 6.166 1.116 1.00 13.10 H new ATOM 0 HA ILE A 17 6.034 8.296 0.651 1.00 12.22 H new ATOM 0 HB ILE A 17 5.797 5.946 2.573 1.00 64.33 H new ATOM 0 HG12 ILE A 17 4.805 6.271 -0.271 1.00 74.11 H new ATOM 0 HG13 ILE A 17 6.160 5.282 0.236 1.00 74.11 H new ATOM 0 HG21 ILE A 17 3.369 6.329 2.420 1.00 41.31 H new ATOM 0 HG22 ILE A 17 4.219 7.719 3.135 1.00 41.31 H new ATOM 0 HG23 ILE A 17 3.670 7.785 1.443 1.00 41.31 H new ATOM 0 HD11 ILE A 17 4.163 3.913 -0.123 1.00 50.22 H new ATOM 0 HD12 ILE A 17 4.645 3.875 1.590 1.00 50.22 H new ATOM 0 HD13 ILE A 17 3.269 4.879 1.075 1.00 50.22 H new ATOM 261 N LYS A 18 7.256 8.010 3.758 1.00 33.03 N ATOM 262 CA LYS A 18 7.518 8.710 5.011 1.00 34.22 C ATOM 263 C LYS A 18 8.075 10.100 4.731 1.00 34.32 C ATOM 264 O LYS A 18 7.560 11.063 5.221 1.00 25.45 O ATOM 265 CB LYS A 18 8.537 7.962 5.905 1.00 35.33 C ATOM 266 CG LYS A 18 8.084 6.684 6.507 1.00 73.50 C ATOM 267 CD LYS A 18 9.182 6.109 7.372 1.00 61.10 C ATOM 268 CE LYS A 18 8.744 4.819 7.973 1.00 65.34 C ATOM 269 NZ LYS A 18 9.760 4.216 8.868 1.00 34.02 N ATOM 0 H LYS A 18 7.666 7.077 3.711 1.00 33.03 H new ATOM 0 HA LYS A 18 6.565 8.767 5.536 1.00 34.22 H new ATOM 0 HB2 LYS A 18 9.428 7.761 5.310 1.00 35.33 H new ATOM 0 HB3 LYS A 18 8.837 8.631 6.712 1.00 35.33 H new ATOM 0 HG2 LYS A 18 7.187 6.850 7.104 1.00 73.50 H new ATOM 0 HG3 LYS A 18 7.818 5.976 5.722 1.00 73.50 H new ATOM 0 HD2 LYS A 18 10.081 5.953 6.775 1.00 61.10 H new ATOM 0 HD3 LYS A 18 9.441 6.816 8.160 1.00 61.10 H new ATOM 0 HE2 LYS A 18 7.825 4.981 8.535 1.00 65.34 H new ATOM 0 HE3 LYS A 18 8.509 4.115 7.175 1.00 65.34 H new ATOM 0 HZ1 LYS A 18 9.396 3.322 9.254 1.00 34.02 H new ATOM 0 HZ2 LYS A 18 10.631 4.032 8.330 1.00 34.02 H new ATOM 0 HZ3 LYS A 18 9.967 4.871 9.649 1.00 34.02 H new ATOM 283 N THR A 19 9.108 10.153 3.906 1.00 65.02 N ATOM 284 CA THR A 19 9.802 11.352 3.512 1.00 71.42 C ATOM 285 C THR A 19 8.922 12.316 2.665 1.00 45.20 C ATOM 286 O THR A 19 8.886 13.525 2.919 1.00 14.15 O ATOM 287 CB THR A 19 11.043 10.886 2.712 1.00 44.53 C ATOM 288 OG1 THR A 19 12.069 10.376 3.570 1.00 10.11 O ATOM 289 CG2 THR A 19 11.568 11.915 1.757 1.00 44.54 C ATOM 0 H THR A 19 9.499 9.315 3.476 1.00 65.02 H new ATOM 0 HA THR A 19 10.078 11.928 4.395 1.00 71.42 H new ATOM 0 HB THR A 19 10.697 10.063 2.087 1.00 44.53 H new ATOM 0 HG1 THR A 19 12.835 10.090 3.030 1.00 10.11 H new ATOM 0 HG21 THR A 19 12.437 11.516 1.234 1.00 44.54 H new ATOM 0 HG22 THR A 19 10.793 12.169 1.033 1.00 44.54 H new ATOM 0 HG23 THR A 19 11.856 12.810 2.309 1.00 44.54 H new ATOM 297 N ARG A 20 8.230 11.777 1.696 1.00 31.41 N ATOM 298 CA ARG A 20 7.430 12.563 0.762 1.00 32.42 C ATOM 299 C ARG A 20 6.261 13.256 1.415 1.00 72.21 C ATOM 300 O ARG A 20 5.765 14.267 0.921 1.00 41.22 O ATOM 301 CB ARG A 20 6.986 11.674 -0.386 1.00 21.55 C ATOM 302 CG ARG A 20 8.097 11.397 -1.397 1.00 22.02 C ATOM 303 CD ARG A 20 8.298 12.558 -2.372 1.00 52.41 C ATOM 304 NE ARG A 20 8.686 13.824 -1.724 1.00 60.53 N ATOM 305 CZ ARG A 20 8.111 15.022 -1.965 1.00 64.04 C ATOM 306 NH1 ARG A 20 7.052 15.117 -2.782 1.00 52.52 N ATOM 307 NH2 ARG A 20 8.579 16.107 -1.365 1.00 61.11 N ATOM 0 H ARG A 20 8.198 10.772 1.522 1.00 31.41 H new ATOM 0 HA ARG A 20 8.059 13.367 0.379 1.00 32.42 H new ATOM 0 HB2 ARG A 20 6.624 10.727 0.015 1.00 21.55 H new ATOM 0 HB3 ARG A 20 6.147 12.145 -0.898 1.00 21.55 H new ATOM 0 HG2 ARG A 20 9.029 11.206 -0.866 1.00 22.02 H new ATOM 0 HG3 ARG A 20 7.858 10.493 -1.957 1.00 22.02 H new ATOM 0 HD2 ARG A 20 9.065 12.282 -3.096 1.00 52.41 H new ATOM 0 HD3 ARG A 20 7.375 12.715 -2.929 1.00 52.41 H new ATOM 0 HE ARG A 20 9.445 13.793 -1.043 1.00 60.53 H new ATOM 0 HH11 ARG A 20 6.675 14.280 -3.227 1.00 52.52 H new ATOM 0 HH12 ARG A 20 6.624 16.026 -2.958 1.00 52.52 H new ATOM 0 HH21 ARG A 20 9.370 16.035 -0.725 1.00 61.11 H new ATOM 0 HH22 ARG A 20 8.148 17.014 -1.543 1.00 61.11 H new ATOM 321 N PHE A 21 5.835 12.724 2.511 1.00 22.44 N ATOM 322 CA PHE A 21 4.737 13.263 3.260 1.00 54.21 C ATOM 323 C PHE A 21 5.177 13.386 4.692 1.00 52.24 C ATOM 324 O PHE A 21 4.401 13.195 5.610 1.00 23.41 O ATOM 325 CB PHE A 21 3.531 12.337 3.137 1.00 73.11 C ATOM 326 CG PHE A 21 3.081 12.136 1.717 1.00 62.32 C ATOM 327 CD1 PHE A 21 2.209 13.027 1.117 1.00 74.44 C ATOM 328 CD2 PHE A 21 3.530 11.055 0.985 1.00 32.33 C ATOM 329 CE1 PHE A 21 1.798 12.842 -0.183 1.00 24.11 C ATOM 330 CE2 PHE A 21 3.128 10.863 -0.303 1.00 20.51 C ATOM 331 CZ PHE A 21 2.257 11.757 -0.898 1.00 12.25 C ATOM 0 H PHE A 21 6.244 11.886 2.924 1.00 22.44 H new ATOM 0 HA PHE A 21 4.446 14.242 2.880 1.00 54.21 H new ATOM 0 HB2 PHE A 21 3.778 11.369 3.573 1.00 73.11 H new ATOM 0 HB3 PHE A 21 2.705 12.747 3.718 1.00 73.11 H new ATOM 0 HD1 PHE A 21 1.847 13.877 1.675 1.00 74.44 H new ATOM 0 HD2 PHE A 21 4.210 10.351 1.440 1.00 32.33 H new ATOM 0 HE1 PHE A 21 1.118 13.545 -0.642 1.00 24.11 H new ATOM 0 HE2 PHE A 21 3.490 10.011 -0.860 1.00 20.51 H new ATOM 0 HZ PHE A 21 1.938 11.606 -1.919 1.00 12.25 H new ATOM 341 N LEU A 22 6.434 13.732 4.868 1.00 25.13 N ATOM 342 CA LEU A 22 7.081 13.783 6.163 1.00 2.55 C ATOM 343 C LEU A 22 6.430 14.811 7.081 1.00 71.12 C ATOM 344 O LEU A 22 6.373 14.633 8.304 1.00 63.35 O ATOM 345 CB LEU A 22 8.573 14.059 5.961 1.00 33.23 C ATOM 346 CG LEU A 22 9.553 13.073 6.546 1.00 50.13 C ATOM 347 CD1 LEU A 22 10.973 13.520 6.278 1.00 72.34 C ATOM 348 CD2 LEU A 22 9.318 12.914 7.999 1.00 1.41 C ATOM 0 H LEU A 22 7.049 13.992 4.097 1.00 25.13 H new ATOM 0 HA LEU A 22 6.962 12.820 6.661 1.00 2.55 H new ATOM 0 HB2 LEU A 22 8.760 14.123 4.889 1.00 33.23 H new ATOM 0 HB3 LEU A 22 8.793 15.040 6.382 1.00 33.23 H new ATOM 0 HG LEU A 22 9.403 12.105 6.067 1.00 50.13 H new ATOM 0 HD11 LEU A 22 11.669 12.798 6.706 1.00 72.34 H new ATOM 0 HD12 LEU A 22 11.136 13.587 5.202 1.00 72.34 H new ATOM 0 HD13 LEU A 22 11.139 14.497 6.732 1.00 72.34 H new ATOM 0 HD21 LEU A 22 10.033 12.199 8.407 1.00 1.41 H new ATOM 0 HD22 LEU A 22 9.443 13.876 8.495 1.00 1.41 H new ATOM 0 HD23 LEU A 22 8.305 12.549 8.166 1.00 1.41 H new ATOM 360 N ASP A 23 5.899 15.854 6.494 1.00 23.52 N ATOM 361 CA ASP A 23 5.222 16.886 7.258 1.00 33.24 C ATOM 362 C ASP A 23 3.818 16.435 7.630 1.00 22.24 C ATOM 363 O ASP A 23 3.215 16.952 8.554 1.00 71.20 O ATOM 364 CB ASP A 23 5.156 18.197 6.471 1.00 54.23 C ATOM 365 CG ASP A 23 4.564 19.338 7.274 1.00 60.22 C ATOM 366 OD1 ASP A 23 5.280 19.917 8.134 1.00 31.21 O ATOM 367 OD2 ASP A 23 3.386 19.681 7.067 1.00 50.13 O ATOM 0 H ASP A 23 5.920 16.016 5.487 1.00 23.52 H new ATOM 0 HA ASP A 23 5.794 17.059 8.169 1.00 33.24 H new ATOM 0 HB2 ASP A 23 6.160 18.471 6.146 1.00 54.23 H new ATOM 0 HB3 ASP A 23 4.560 18.045 5.571 1.00 54.23 H new ATOM 372 N HIS A 24 3.333 15.423 6.954 1.00 5.10 N ATOM 373 CA HIS A 24 1.975 14.977 7.154 1.00 64.43 C ATOM 374 C HIS A 24 1.909 13.504 7.547 1.00 70.25 C ATOM 375 O HIS A 24 1.744 12.626 6.684 1.00 21.21 O ATOM 376 CB HIS A 24 1.120 15.214 5.914 1.00 33.34 C ATOM 377 CG HIS A 24 0.882 16.630 5.539 1.00 64.15 C ATOM 378 ND1 HIS A 24 0.320 17.577 6.363 1.00 15.04 N ATOM 379 CD2 HIS A 24 1.117 17.234 4.380 1.00 21.22 C ATOM 380 CE1 HIS A 24 0.231 18.715 5.676 1.00 3.31 C ATOM 381 NE2 HIS A 24 0.709 18.562 4.448 1.00 31.44 N ATOM 0 H HIS A 24 3.858 14.892 6.260 1.00 5.10 H new ATOM 0 HA HIS A 24 1.576 15.570 7.977 1.00 64.43 H new ATOM 0 HB2 HIS A 24 1.594 14.712 5.071 1.00 33.34 H new ATOM 0 HB3 HIS A 24 0.154 14.734 6.068 1.00 33.34 H new ATOM 0 HD2 HIS A 24 1.559 16.764 3.514 1.00 21.22 H new ATOM 0 HE1 HIS A 24 -0.175 19.637 6.066 1.00 3.31 H new ATOM 0 HE2 HIS A 24 0.765 19.266 3.712 1.00 31.44 H new ATOM 389 N PRO A 25 2.023 13.196 8.847 1.00 23.44 N ATOM 390 CA PRO A 25 1.991 11.814 9.333 1.00 2.50 C ATOM 391 C PRO A 25 0.617 11.182 9.137 1.00 32.32 C ATOM 392 O PRO A 25 0.492 9.960 9.023 1.00 60.23 O ATOM 393 CB PRO A 25 2.315 11.934 10.832 1.00 34.53 C ATOM 394 CG PRO A 25 2.848 13.316 11.014 1.00 41.41 C ATOM 395 CD PRO A 25 2.206 14.155 9.951 1.00 14.43 C ATOM 0 HA PRO A 25 2.692 11.177 8.793 1.00 2.50 H new ATOM 0 HB2 PRO A 25 1.425 11.773 11.440 1.00 34.53 H new ATOM 0 HB3 PRO A 25 3.048 11.187 11.136 1.00 34.53 H new ATOM 0 HG2 PRO A 25 2.610 13.697 12.007 1.00 41.41 H new ATOM 0 HG3 PRO A 25 3.934 13.330 10.918 1.00 41.41 H new ATOM 0 HD2 PRO A 25 1.257 14.574 10.285 1.00 14.43 H new ATOM 0 HD3 PRO A 25 2.839 14.993 9.659 1.00 14.43 H new ATOM 403 N GLU A 26 -0.410 12.027 9.037 1.00 3.35 N ATOM 404 CA GLU A 26 -1.764 11.569 8.880 1.00 22.53 C ATOM 405 C GLU A 26 -1.931 10.849 7.541 1.00 44.04 C ATOM 406 O GLU A 26 -2.661 9.886 7.445 1.00 2.50 O ATOM 407 CB GLU A 26 -2.738 12.741 8.979 1.00 25.13 C ATOM 408 CG GLU A 26 -2.714 13.670 7.790 1.00 33.14 C ATOM 409 CD GLU A 26 -3.618 14.852 7.949 1.00 15.25 C ATOM 410 OE1 GLU A 26 -4.837 14.712 7.792 1.00 12.20 O ATOM 411 OE2 GLU A 26 -3.115 15.958 8.213 1.00 45.13 O ATOM 0 H GLU A 26 -0.313 13.042 9.064 1.00 3.35 H new ATOM 0 HA GLU A 26 -1.987 10.865 9.682 1.00 22.53 H new ATOM 0 HB2 GLU A 26 -3.748 12.350 9.099 1.00 25.13 H new ATOM 0 HB3 GLU A 26 -2.509 13.314 9.878 1.00 25.13 H new ATOM 0 HG2 GLU A 26 -1.694 14.019 7.630 1.00 33.14 H new ATOM 0 HG3 GLU A 26 -3.004 13.116 6.898 1.00 33.14 H new ATOM 418 N ILE A 27 -1.211 11.321 6.526 1.00 73.32 N ATOM 419 CA ILE A 27 -1.245 10.753 5.188 1.00 14.21 C ATOM 420 C ILE A 27 -0.674 9.370 5.215 1.00 10.40 C ATOM 421 O ILE A 27 -1.289 8.424 4.717 1.00 24.41 O ATOM 422 CB ILE A 27 -0.450 11.662 4.225 1.00 14.34 C ATOM 423 CG1 ILE A 27 -1.213 12.980 4.058 1.00 43.43 C ATOM 424 CG2 ILE A 27 -0.150 10.987 2.879 1.00 23.45 C ATOM 425 CD1 ILE A 27 -0.589 13.931 3.086 1.00 70.52 C ATOM 0 H ILE A 27 -0.581 12.118 6.615 1.00 73.32 H new ATOM 0 HA ILE A 27 -2.275 10.691 4.836 1.00 14.21 H new ATOM 0 HB ILE A 27 0.529 11.863 4.659 1.00 14.34 H new ATOM 0 HG12 ILE A 27 -2.229 12.760 3.732 1.00 43.43 H new ATOM 0 HG13 ILE A 27 -1.289 13.469 5.029 1.00 43.43 H new ATOM 0 HG21 ILE A 27 0.410 11.674 2.245 1.00 23.45 H new ATOM 0 HG22 ILE A 27 0.439 10.086 3.047 1.00 23.45 H new ATOM 0 HG23 ILE A 27 -1.086 10.722 2.388 1.00 23.45 H new ATOM 0 HD11 ILE A 27 -1.191 14.838 3.027 1.00 70.52 H new ATOM 0 HD12 ILE A 27 0.417 14.184 3.420 1.00 70.52 H new ATOM 0 HD13 ILE A 27 -0.538 13.464 2.102 1.00 70.52 H new ATOM 437 N TYR A 28 0.463 9.259 5.865 1.00 4.23 N ATOM 438 CA TYR A 28 1.155 8.008 6.042 1.00 24.44 C ATOM 439 C TYR A 28 0.210 7.010 6.714 1.00 73.32 C ATOM 440 O TYR A 28 -0.025 5.909 6.220 1.00 40.21 O ATOM 441 CB TYR A 28 2.369 8.245 6.947 1.00 63.32 C ATOM 442 CG TYR A 28 3.293 7.069 7.056 1.00 75.21 C ATOM 443 CD1 TYR A 28 4.143 6.740 6.017 1.00 32.02 C ATOM 444 CD2 TYR A 28 3.292 6.269 8.185 1.00 31.13 C ATOM 445 CE1 TYR A 28 4.956 5.643 6.098 1.00 42.01 C ATOM 446 CE2 TYR A 28 4.117 5.176 8.280 1.00 24.21 C ATOM 447 CZ TYR A 28 4.940 4.862 7.239 1.00 11.04 C ATOM 448 OH TYR A 28 5.747 3.759 7.325 1.00 53.22 O ATOM 0 H TYR A 28 0.939 10.053 6.293 1.00 4.23 H new ATOM 0 HA TYR A 28 1.480 7.614 5.079 1.00 24.44 H new ATOM 0 HB2 TYR A 28 2.930 9.099 6.568 1.00 63.32 H new ATOM 0 HB3 TYR A 28 2.018 8.511 7.944 1.00 63.32 H new ATOM 0 HD1 TYR A 28 4.166 7.356 5.131 1.00 32.02 H new ATOM 0 HD2 TYR A 28 2.631 6.508 9.005 1.00 31.13 H new ATOM 0 HE1 TYR A 28 5.607 5.388 5.275 1.00 42.01 H new ATOM 0 HE2 TYR A 28 4.114 4.569 9.173 1.00 24.21 H new ATOM 0 HH TYR A 28 5.614 3.323 8.193 1.00 53.22 H new ATOM 458 N ARG A 29 -0.378 7.459 7.800 1.00 2.41 N ATOM 459 CA ARG A 29 -1.254 6.653 8.616 1.00 42.01 C ATOM 460 C ARG A 29 -2.566 6.283 7.928 1.00 13.25 C ATOM 461 O ARG A 29 -3.057 5.163 8.084 1.00 54.54 O ATOM 462 CB ARG A 29 -1.506 7.351 9.916 1.00 62.35 C ATOM 463 CG ARG A 29 -0.271 7.411 10.764 1.00 4.24 C ATOM 464 CD ARG A 29 -0.435 8.389 11.870 1.00 53.01 C ATOM 465 NE ARG A 29 0.720 8.373 12.769 1.00 54.33 N ATOM 466 CZ ARG A 29 0.730 8.767 14.044 1.00 45.44 C ATOM 467 NH1 ARG A 29 -0.382 9.198 14.631 1.00 65.22 N ATOM 468 NH2 ARG A 29 1.857 8.710 14.727 1.00 72.22 N ATOM 0 H ARG A 29 -0.258 8.411 8.146 1.00 2.41 H new ATOM 0 HA ARG A 29 -0.745 5.706 8.795 1.00 42.01 H new ATOM 0 HB2 ARG A 29 -1.863 8.362 9.722 1.00 62.35 H new ATOM 0 HB3 ARG A 29 -2.296 6.833 10.460 1.00 62.35 H new ATOM 0 HG2 ARG A 29 -0.058 6.424 11.175 1.00 4.24 H new ATOM 0 HG3 ARG A 29 0.584 7.691 10.149 1.00 4.24 H new ATOM 0 HD2 ARG A 29 -0.564 9.390 11.457 1.00 53.01 H new ATOM 0 HD3 ARG A 29 -1.340 8.157 12.432 1.00 53.01 H new ATOM 0 HE ARG A 29 1.600 8.028 12.385 1.00 54.33 H new ATOM 0 HH11 ARG A 29 -1.256 9.230 14.106 1.00 65.22 H new ATOM 0 HH12 ARG A 29 -0.361 9.496 15.606 1.00 65.22 H new ATOM 0 HH21 ARG A 29 2.708 8.368 14.280 1.00 72.22 H new ATOM 0 HH22 ARG A 29 1.878 9.008 15.702 1.00 72.22 H new ATOM 482 N SER A 30 -3.124 7.209 7.164 1.00 62.25 N ATOM 483 CA SER A 30 -4.365 6.955 6.443 1.00 65.22 C ATOM 484 C SER A 30 -4.131 5.925 5.348 1.00 34.34 C ATOM 485 O SER A 30 -5.033 5.195 4.950 1.00 73.40 O ATOM 486 CB SER A 30 -4.941 8.255 5.873 1.00 42.33 C ATOM 487 OG SER A 30 -5.170 9.202 6.919 1.00 22.01 O ATOM 0 H SER A 30 -2.739 8.143 7.026 1.00 62.25 H new ATOM 0 HA SER A 30 -5.099 6.551 7.140 1.00 65.22 H new ATOM 0 HB2 SER A 30 -4.252 8.674 5.139 1.00 42.33 H new ATOM 0 HB3 SER A 30 -5.875 8.048 5.351 1.00 42.33 H new ATOM 0 HG SER A 30 -4.356 9.728 7.068 1.00 22.01 H new ATOM 493 N PHE A 31 -2.934 5.900 4.836 1.00 51.13 N ATOM 494 CA PHE A 31 -2.557 4.892 3.904 1.00 34.11 C ATOM 495 C PHE A 31 -2.311 3.539 4.591 1.00 44.44 C ATOM 496 O PHE A 31 -2.735 2.494 4.081 1.00 50.43 O ATOM 497 CB PHE A 31 -1.368 5.333 3.066 1.00 22.41 C ATOM 498 CG PHE A 31 -0.661 4.170 2.450 1.00 64.01 C ATOM 499 CD1 PHE A 31 -1.222 3.496 1.388 1.00 42.24 C ATOM 500 CD2 PHE A 31 0.533 3.718 2.982 1.00 62.50 C ATOM 501 CE1 PHE A 31 -0.612 2.393 0.855 1.00 40.20 C ATOM 502 CE2 PHE A 31 1.166 2.614 2.450 1.00 44.14 C ATOM 503 CZ PHE A 31 0.591 1.945 1.379 1.00 44.15 C ATOM 0 H PHE A 31 -2.201 6.575 5.054 1.00 51.13 H new ATOM 0 HA PHE A 31 -3.395 4.746 3.223 1.00 34.11 H new ATOM 0 HB2 PHE A 31 -1.707 6.009 2.281 1.00 22.41 H new ATOM 0 HB3 PHE A 31 -0.671 5.893 3.690 1.00 22.41 H new ATOM 0 HD1 PHE A 31 -2.156 3.843 0.970 1.00 42.24 H new ATOM 0 HD2 PHE A 31 0.974 4.234 3.822 1.00 62.50 H new ATOM 0 HE1 PHE A 31 -1.068 1.872 0.026 1.00 40.20 H new ATOM 0 HE2 PHE A 31 2.103 2.273 2.864 1.00 44.14 H new ATOM 0 HZ PHE A 31 1.078 1.079 0.955 1.00 44.15 H new ATOM 513 N LEU A 32 -1.620 3.560 5.729 1.00 35.33 N ATOM 514 CA LEU A 32 -1.309 2.348 6.487 1.00 53.31 C ATOM 515 C LEU A 32 -2.552 1.557 6.780 1.00 12.41 C ATOM 516 O LEU A 32 -2.557 0.326 6.686 1.00 73.21 O ATOM 517 CB LEU A 32 -0.651 2.700 7.805 1.00 54.35 C ATOM 518 CG LEU A 32 0.713 3.344 7.751 1.00 2.20 C ATOM 519 CD1 LEU A 32 1.165 3.626 9.156 1.00 52.22 C ATOM 520 CD2 LEU A 32 1.720 2.452 7.022 1.00 63.33 C ATOM 0 H LEU A 32 -1.260 4.416 6.152 1.00 35.33 H new ATOM 0 HA LEU A 32 -0.632 1.751 5.876 1.00 53.31 H new ATOM 0 HB2 LEU A 32 -1.319 3.370 8.346 1.00 54.35 H new ATOM 0 HB3 LEU A 32 -0.569 1.787 8.395 1.00 54.35 H new ATOM 0 HG LEU A 32 0.650 4.277 7.190 1.00 2.20 H new ATOM 0 HD11 LEU A 32 2.150 4.092 9.135 1.00 52.22 H new ATOM 0 HD12 LEU A 32 0.456 4.299 9.638 1.00 52.22 H new ATOM 0 HD13 LEU A 32 1.217 2.692 9.716 1.00 52.22 H new ATOM 0 HD21 LEU A 32 2.692 2.944 7.000 1.00 63.33 H new ATOM 0 HD22 LEU A 32 1.807 1.499 7.544 1.00 63.33 H new ATOM 0 HD23 LEU A 32 1.379 2.277 6.002 1.00 63.33 H new ATOM 532 N GLU A 33 -3.611 2.268 7.076 1.00 72.51 N ATOM 533 CA GLU A 33 -4.856 1.661 7.424 1.00 63.04 C ATOM 534 C GLU A 33 -5.431 0.876 6.239 1.00 24.33 C ATOM 535 O GLU A 33 -6.104 -0.119 6.427 1.00 21.45 O ATOM 536 CB GLU A 33 -5.822 2.710 7.971 1.00 34.40 C ATOM 537 CG GLU A 33 -6.536 3.569 6.943 1.00 31.13 C ATOM 538 CD GLU A 33 -7.368 4.641 7.602 1.00 30.42 C ATOM 539 OE1 GLU A 33 -8.510 4.357 7.991 1.00 44.21 O ATOM 540 OE2 GLU A 33 -6.899 5.778 7.751 1.00 51.34 O ATOM 0 H GLU A 33 -3.626 3.288 7.080 1.00 72.51 H new ATOM 0 HA GLU A 33 -4.692 0.935 8.221 1.00 63.04 H new ATOM 0 HB2 GLU A 33 -6.575 2.201 8.573 1.00 34.40 H new ATOM 0 HB3 GLU A 33 -5.269 3.368 8.641 1.00 34.40 H new ATOM 0 HG2 GLU A 33 -5.803 4.031 6.281 1.00 31.13 H new ATOM 0 HG3 GLU A 33 -7.175 2.941 6.323 1.00 31.13 H new ATOM 547 N ILE A 34 -5.110 1.307 5.027 1.00 11.11 N ATOM 548 CA ILE A 34 -5.526 0.648 3.823 1.00 45.15 C ATOM 549 C ILE A 34 -4.716 -0.613 3.642 1.00 3.34 C ATOM 550 O ILE A 34 -5.256 -1.654 3.330 1.00 5.22 O ATOM 551 CB ILE A 34 -5.302 1.571 2.609 1.00 70.22 C ATOM 552 CG1 ILE A 34 -6.126 2.839 2.782 1.00 61.21 C ATOM 553 CG2 ILE A 34 -5.623 0.849 1.300 1.00 63.31 C ATOM 554 CD1 ILE A 34 -5.823 3.923 1.791 1.00 51.44 C ATOM 0 H ILE A 34 -4.543 2.139 4.863 1.00 11.11 H new ATOM 0 HA ILE A 34 -6.586 0.405 3.897 1.00 45.15 H new ATOM 0 HB ILE A 34 -4.250 1.850 2.556 1.00 70.22 H new ATOM 0 HG12 ILE A 34 -7.183 2.582 2.708 1.00 61.21 H new ATOM 0 HG13 ILE A 34 -5.963 3.228 3.787 1.00 61.21 H new ATOM 0 HG21 ILE A 34 -5.456 1.525 0.461 1.00 63.31 H new ATOM 0 HG22 ILE A 34 -4.977 -0.023 1.198 1.00 63.31 H new ATOM 0 HG23 ILE A 34 -6.665 0.530 1.307 1.00 63.31 H new ATOM 0 HD11 ILE A 34 -6.457 4.787 1.991 1.00 51.44 H new ATOM 0 HD12 ILE A 34 -4.776 4.214 1.878 1.00 51.44 H new ATOM 0 HD13 ILE A 34 -6.015 3.558 0.782 1.00 51.44 H new ATOM 566 N LEU A 35 -3.426 -0.513 3.887 1.00 74.43 N ATOM 567 CA LEU A 35 -2.525 -1.615 3.715 1.00 73.53 C ATOM 568 C LEU A 35 -2.860 -2.727 4.729 1.00 22.14 C ATOM 569 O LEU A 35 -2.958 -3.894 4.366 1.00 24.14 O ATOM 570 CB LEU A 35 -1.099 -1.093 3.886 1.00 54.51 C ATOM 571 CG LEU A 35 0.044 -1.878 3.229 1.00 74.45 C ATOM 572 CD1 LEU A 35 0.236 -3.261 3.830 1.00 53.00 C ATOM 573 CD2 LEU A 35 -0.158 -1.973 1.721 1.00 61.32 C ATOM 0 H LEU A 35 -2.978 0.344 4.213 1.00 74.43 H new ATOM 0 HA LEU A 35 -2.623 -2.050 2.720 1.00 73.53 H new ATOM 0 HB2 LEU A 35 -1.069 -0.074 3.499 1.00 54.51 H new ATOM 0 HB3 LEU A 35 -0.892 -1.035 4.955 1.00 54.51 H new ATOM 0 HG LEU A 35 0.957 -1.318 3.430 1.00 74.45 H new ATOM 0 HD11 LEU A 35 1.058 -3.767 3.324 1.00 53.00 H new ATOM 0 HD12 LEU A 35 0.466 -3.168 4.891 1.00 53.00 H new ATOM 0 HD13 LEU A 35 -0.678 -3.842 3.706 1.00 53.00 H new ATOM 0 HD21 LEU A 35 0.665 -2.534 1.278 1.00 61.32 H new ATOM 0 HD22 LEU A 35 -1.099 -2.482 1.511 1.00 61.32 H new ATOM 0 HD23 LEU A 35 -0.185 -0.971 1.294 1.00 61.32 H new ATOM 585 N HIS A 36 -3.078 -2.349 5.976 1.00 13.43 N ATOM 586 CA HIS A 36 -3.434 -3.319 7.017 1.00 42.30 C ATOM 587 C HIS A 36 -4.818 -3.924 6.741 1.00 31.10 C ATOM 588 O HIS A 36 -5.078 -5.105 7.039 1.00 3.40 O ATOM 589 CB HIS A 36 -3.344 -2.697 8.419 1.00 71.32 C ATOM 590 CG HIS A 36 -1.942 -2.282 8.802 1.00 74.14 C ATOM 591 ND1 HIS A 36 -0.801 -3.011 8.832 1.00 11.35 N flip ATOM 592 CD2 HIS A 36 -1.585 -1.016 9.213 1.00 64.55 C flip ATOM 593 CE1 HIS A 36 0.252 -2.208 9.251 1.00 71.12 C flip ATOM 594 NE2 HIS A 36 -0.276 -1.015 9.469 1.00 4.13 N flip ATOM 0 H HIS A 36 -3.017 -1.384 6.300 1.00 13.43 H new ATOM 0 HA HIS A 36 -2.708 -4.132 6.989 1.00 42.30 H new ATOM 0 HB2 HIS A 36 -3.998 -1.826 8.465 1.00 71.32 H new ATOM 0 HB3 HIS A 36 -3.716 -3.414 9.151 1.00 71.32 H new ATOM 0 HD1 HIS A 36 -0.726 -3.998 8.585 1.00 11.35 H new ATOM 0 HD2 HIS A 36 -2.250 -0.171 9.311 1.00 64.55 H new ATOM 0 HE1 HIS A 36 1.285 -2.497 9.373 1.00 71.12 H new ATOM 602 N THR A 37 -5.674 -3.121 6.131 1.00 24.33 N ATOM 603 CA THR A 37 -6.974 -3.545 5.671 1.00 14.11 C ATOM 604 C THR A 37 -6.806 -4.575 4.557 1.00 22.33 C ATOM 605 O THR A 37 -7.399 -5.649 4.593 1.00 31.31 O ATOM 606 CB THR A 37 -7.745 -2.292 5.171 1.00 42.12 C ATOM 607 OG1 THR A 37 -8.296 -1.551 6.267 1.00 23.23 O ATOM 608 CG2 THR A 37 -8.776 -2.559 4.088 1.00 45.45 C ATOM 0 H THR A 37 -5.475 -2.139 5.941 1.00 24.33 H new ATOM 0 HA THR A 37 -7.540 -4.013 6.476 1.00 14.11 H new ATOM 0 HB THR A 37 -6.994 -1.676 4.676 1.00 42.12 H new ATOM 0 HG1 THR A 37 -7.618 -0.938 6.621 1.00 23.23 H new ATOM 0 HG21 THR A 37 -9.259 -1.623 3.807 1.00 45.45 H new ATOM 0 HG22 THR A 37 -8.284 -2.990 3.216 1.00 45.45 H new ATOM 0 HG23 THR A 37 -9.526 -3.256 4.463 1.00 45.45 H new ATOM 616 N TYR A 38 -5.931 -4.248 3.639 1.00 13.50 N ATOM 617 CA TYR A 38 -5.630 -5.036 2.481 1.00 14.45 C ATOM 618 C TYR A 38 -5.179 -6.439 2.881 1.00 35.44 C ATOM 619 O TYR A 38 -5.623 -7.425 2.307 1.00 31.04 O ATOM 620 CB TYR A 38 -4.528 -4.330 1.699 1.00 13.03 C ATOM 621 CG TYR A 38 -4.231 -4.915 0.372 1.00 73.42 C ATOM 622 CD1 TYR A 38 -5.076 -4.670 -0.663 1.00 14.21 C ATOM 623 CD2 TYR A 38 -3.091 -5.673 0.147 1.00 61.25 C ATOM 624 CE1 TYR A 38 -4.817 -5.166 -1.936 1.00 22.42 C ATOM 625 CE2 TYR A 38 -2.817 -6.185 -1.109 1.00 70.31 C ATOM 626 CZ TYR A 38 -3.686 -5.925 -2.152 1.00 33.43 C ATOM 627 OH TYR A 38 -3.419 -6.420 -3.416 1.00 3.24 O ATOM 0 H TYR A 38 -5.388 -3.386 3.685 1.00 13.50 H new ATOM 0 HA TYR A 38 -6.523 -5.140 1.865 1.00 14.45 H new ATOM 0 HB2 TYR A 38 -4.810 -3.286 1.564 1.00 13.03 H new ATOM 0 HB3 TYR A 38 -3.616 -4.339 2.296 1.00 13.03 H new ATOM 0 HD1 TYR A 38 -5.964 -4.080 -0.494 1.00 14.21 H new ATOM 0 HD2 TYR A 38 -2.409 -5.866 0.962 1.00 61.25 H new ATOM 0 HE1 TYR A 38 -5.496 -4.958 -2.749 1.00 22.42 H new ATOM 0 HE2 TYR A 38 -1.932 -6.782 -1.273 1.00 70.31 H new ATOM 0 HH TYR A 38 -2.584 -6.932 -3.397 1.00 3.24 H new ATOM 637 N GLN A 39 -4.306 -6.507 3.884 1.00 61.31 N ATOM 638 CA GLN A 39 -3.788 -7.776 4.405 1.00 33.44 C ATOM 639 C GLN A 39 -4.922 -8.616 4.996 1.00 75.33 C ATOM 640 O GLN A 39 -4.989 -9.821 4.793 1.00 22.34 O ATOM 641 CB GLN A 39 -2.730 -7.522 5.477 1.00 31.02 C ATOM 642 CG GLN A 39 -1.539 -6.707 5.002 1.00 45.43 C ATOM 643 CD GLN A 39 -0.580 -6.387 6.126 1.00 4.35 C ATOM 644 OE1 GLN A 39 -0.724 -5.379 6.811 1.00 12.22 O ATOM 645 NE2 GLN A 39 0.400 -7.222 6.332 1.00 12.25 N ATOM 0 H GLN A 39 -3.936 -5.685 4.361 1.00 61.31 H new ATOM 0 HA GLN A 39 -3.334 -8.321 3.577 1.00 33.44 H new ATOM 0 HB2 GLN A 39 -3.197 -7.006 6.316 1.00 31.02 H new ATOM 0 HB3 GLN A 39 -2.372 -8.481 5.852 1.00 31.02 H new ATOM 0 HG2 GLN A 39 -1.012 -7.258 4.223 1.00 45.43 H new ATOM 0 HG3 GLN A 39 -1.892 -5.779 4.553 1.00 45.43 H new ATOM 0 HE21 GLN A 39 0.495 -8.052 5.747 1.00 12.25 H new ATOM 0 HE22 GLN A 39 1.072 -7.045 7.079 1.00 12.25 H new ATOM 904 N GLU A 55 -7.999 -5.078 -5.366 1.00 34.21 N ATOM 905 CA GLU A 55 -6.808 -4.303 -5.359 1.00 75.22 C ATOM 906 C GLU A 55 -6.969 -2.985 -6.149 1.00 30.41 C ATOM 907 O GLU A 55 -6.268 -2.023 -5.909 1.00 10.32 O ATOM 908 CB GLU A 55 -5.607 -5.121 -5.792 1.00 32.43 C ATOM 909 CG GLU A 55 -5.381 -5.174 -7.247 1.00 74.13 C ATOM 910 CD GLU A 55 -6.433 -5.960 -8.010 1.00 1.30 C ATOM 911 OE1 GLU A 55 -6.309 -7.203 -8.134 1.00 45.21 O ATOM 912 OE2 GLU A 55 -7.391 -5.355 -8.512 1.00 51.52 O ATOM 0 HA GLU A 55 -6.615 -4.005 -4.328 1.00 75.22 H new ATOM 0 HB2 GLU A 55 -4.716 -4.711 -5.316 1.00 32.43 H new ATOM 0 HB3 GLU A 55 -5.727 -6.139 -5.421 1.00 32.43 H new ATOM 0 HG2 GLU A 55 -5.350 -4.156 -7.636 1.00 74.13 H new ATOM 0 HG3 GLU A 55 -4.403 -5.618 -7.436 1.00 74.13 H new ATOM 919 N GLU A 56 -7.899 -2.973 -7.076 1.00 32.44 N ATOM 920 CA GLU A 56 -8.231 -1.793 -7.843 1.00 1.43 C ATOM 921 C GLU A 56 -8.934 -0.723 -6.958 1.00 42.42 C ATOM 922 O GLU A 56 -8.688 0.483 -7.101 1.00 70.31 O ATOM 923 CB GLU A 56 -9.096 -2.203 -9.025 1.00 23.32 C ATOM 924 CG GLU A 56 -9.444 -1.087 -9.975 1.00 54.13 C ATOM 925 CD GLU A 56 -10.178 -1.601 -11.173 1.00 12.22 C ATOM 926 OE1 GLU A 56 -11.412 -1.697 -11.131 1.00 32.13 O ATOM 927 OE2 GLU A 56 -9.526 -1.953 -12.178 1.00 61.10 O ATOM 0 H GLU A 56 -8.454 -3.793 -7.322 1.00 32.44 H new ATOM 0 HA GLU A 56 -7.316 -1.332 -8.215 1.00 1.43 H new ATOM 0 HB2 GLU A 56 -8.579 -2.985 -9.581 1.00 23.32 H new ATOM 0 HB3 GLU A 56 -10.020 -2.639 -8.646 1.00 23.32 H new ATOM 0 HG2 GLU A 56 -10.057 -0.347 -9.461 1.00 54.13 H new ATOM 0 HG3 GLU A 56 -8.533 -0.581 -10.294 1.00 54.13 H new ATOM 934 N GLU A 57 -9.766 -1.166 -6.005 1.00 4.44 N ATOM 935 CA GLU A 57 -10.448 -0.229 -5.107 1.00 13.23 C ATOM 936 C GLU A 57 -9.446 0.201 -4.048 1.00 34.11 C ATOM 937 O GLU A 57 -9.515 1.296 -3.488 1.00 42.34 O ATOM 938 CB GLU A 57 -11.702 -0.860 -4.482 1.00 3.05 C ATOM 939 CG GLU A 57 -11.443 -1.669 -3.261 1.00 0.32 C ATOM 940 CD GLU A 57 -12.667 -2.377 -2.749 1.00 45.41 C ATOM 941 OE1 GLU A 57 -12.974 -3.459 -3.250 1.00 60.32 O ATOM 942 OE2 GLU A 57 -13.335 -1.868 -1.835 1.00 53.35 O ATOM 0 H GLU A 57 -9.979 -2.150 -5.839 1.00 4.44 H new ATOM 0 HA GLU A 57 -10.798 0.640 -5.664 1.00 13.23 H new ATOM 0 HB2 GLU A 57 -12.407 -0.067 -4.234 1.00 3.05 H new ATOM 0 HB3 GLU A 57 -12.184 -1.494 -5.227 1.00 3.05 H new ATOM 0 HG2 GLU A 57 -10.669 -2.405 -3.478 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -11.053 -1.019 -2.478 1.00 0.32 H new ATOM 949 N VAL A 58 -8.499 -0.686 -3.817 1.00 13.22 N ATOM 950 CA VAL A 58 -7.376 -0.472 -2.965 1.00 55.41 C ATOM 951 C VAL A 58 -6.524 0.640 -3.538 1.00 53.35 C ATOM 952 O VAL A 58 -6.287 1.660 -2.883 1.00 62.12 O ATOM 953 CB VAL A 58 -6.577 -1.794 -2.897 1.00 44.41 C ATOM 954 CG1 VAL A 58 -5.151 -1.629 -2.446 1.00 3.14 C ATOM 955 CG2 VAL A 58 -7.296 -2.769 -2.026 1.00 30.43 C ATOM 0 H VAL A 58 -8.504 -1.613 -4.243 1.00 13.22 H new ATOM 0 HA VAL A 58 -7.690 -0.181 -1.963 1.00 55.41 H new ATOM 0 HB VAL A 58 -6.515 -2.172 -3.917 1.00 44.41 H new ATOM 0 HG11 VAL A 58 -4.661 -2.602 -2.425 1.00 3.14 H new ATOM 0 HG12 VAL A 58 -4.624 -0.972 -3.138 1.00 3.14 H new ATOM 0 HG13 VAL A 58 -5.133 -1.193 -1.447 1.00 3.14 H new ATOM 0 HG21 VAL A 58 -6.731 -3.700 -1.979 1.00 30.43 H new ATOM 0 HG22 VAL A 58 -7.397 -2.355 -1.023 1.00 30.43 H new ATOM 0 HG23 VAL A 58 -8.286 -2.965 -2.439 1.00 30.43 H new ATOM 965 N PHE A 59 -6.143 0.463 -4.804 1.00 13.44 N ATOM 966 CA PHE A 59 -5.315 1.405 -5.523 1.00 75.23 C ATOM 967 C PHE A 59 -5.967 2.771 -5.553 1.00 70.22 C ATOM 968 O PHE A 59 -5.287 3.762 -5.494 1.00 53.53 O ATOM 969 CB PHE A 59 -5.025 0.906 -6.955 1.00 3.21 C ATOM 970 CG PHE A 59 -4.064 1.780 -7.731 1.00 33.33 C ATOM 971 CD1 PHE A 59 -2.696 1.637 -7.569 1.00 34.31 C ATOM 972 CD2 PHE A 59 -4.531 2.743 -8.617 1.00 20.05 C ATOM 973 CE1 PHE A 59 -1.813 2.436 -8.268 1.00 61.12 C ATOM 974 CE2 PHE A 59 -3.652 3.543 -9.319 1.00 31.23 C ATOM 975 CZ PHE A 59 -2.292 3.389 -9.144 1.00 44.32 C ATOM 0 H PHE A 59 -6.409 -0.352 -5.357 1.00 13.44 H new ATOM 0 HA PHE A 59 -4.363 1.490 -4.998 1.00 75.23 H new ATOM 0 HB2 PHE A 59 -4.618 -0.104 -6.901 1.00 3.21 H new ATOM 0 HB3 PHE A 59 -5.965 0.842 -7.503 1.00 3.21 H new ATOM 0 HD1 PHE A 59 -2.315 0.891 -6.887 1.00 34.31 H new ATOM 0 HD2 PHE A 59 -5.595 2.867 -8.758 1.00 20.05 H new ATOM 0 HE1 PHE A 59 -0.749 2.315 -8.129 1.00 61.12 H new ATOM 0 HE2 PHE A 59 -4.028 4.288 -10.004 1.00 31.23 H new ATOM 0 HZ PHE A 59 -1.603 4.014 -9.692 1.00 44.32 H new ATOM 985 N THR A 60 -7.292 2.801 -5.579 1.00 33.13 N ATOM 986 CA THR A 60 -8.031 3.987 -5.601 1.00 4.14 C ATOM 987 C THR A 60 -7.702 4.898 -4.393 1.00 11.00 C ATOM 988 O THR A 60 -7.288 6.036 -4.580 1.00 2.32 O ATOM 989 CB THR A 60 -9.510 3.616 -5.615 1.00 42.24 C ATOM 990 OG1 THR A 60 -9.843 2.955 -6.859 1.00 15.12 O ATOM 991 CG2 THR A 60 -10.356 4.818 -5.413 1.00 31.41 C ATOM 0 H THR A 60 -7.869 1.960 -5.585 1.00 33.13 H new ATOM 0 HA THR A 60 -7.772 4.558 -6.493 1.00 4.14 H new ATOM 0 HB THR A 60 -9.705 2.928 -4.792 1.00 42.24 H new ATOM 0 HG1 THR A 60 -9.539 2.024 -6.826 1.00 15.12 H new ATOM 0 HG21 THR A 60 -11.407 4.530 -5.427 1.00 31.41 H new ATOM 0 HG22 THR A 60 -10.117 5.274 -4.452 1.00 31.41 H new ATOM 0 HG23 THR A 60 -10.166 5.535 -6.212 1.00 31.41 H new ATOM 999 N GLU A 61 -7.794 4.366 -3.171 1.00 73.34 N ATOM 1000 CA GLU A 61 -7.588 5.196 -1.995 1.00 65.34 C ATOM 1001 C GLU A 61 -6.129 5.523 -1.817 1.00 24.51 C ATOM 1002 O GLU A 61 -5.784 6.591 -1.334 1.00 21.35 O ATOM 1003 CB GLU A 61 -8.132 4.530 -0.750 1.00 25.24 C ATOM 1004 CG GLU A 61 -9.625 4.408 -0.742 1.00 24.33 C ATOM 1005 CD GLU A 61 -10.143 3.785 0.515 1.00 32.22 C ATOM 1006 OE1 GLU A 61 -10.267 4.497 1.536 1.00 51.54 O ATOM 1007 OE2 GLU A 61 -10.448 2.584 0.507 1.00 50.43 O ATOM 0 H GLU A 61 -8.005 3.387 -2.978 1.00 73.34 H new ATOM 0 HA GLU A 61 -8.136 6.126 -2.150 1.00 65.34 H new ATOM 0 HB2 GLU A 61 -7.694 3.536 -0.658 1.00 25.24 H new ATOM 0 HB3 GLU A 61 -7.817 5.100 0.124 1.00 25.24 H new ATOM 0 HG2 GLU A 61 -10.068 5.397 -0.862 1.00 24.33 H new ATOM 0 HG3 GLU A 61 -9.942 3.811 -1.597 1.00 24.33 H new ATOM 1014 N VAL A 62 -5.286 4.606 -2.229 1.00 25.15 N ATOM 1015 CA VAL A 62 -3.852 4.778 -2.150 1.00 22.53 C ATOM 1016 C VAL A 62 -3.375 5.834 -3.158 1.00 22.10 C ATOM 1017 O VAL A 62 -2.577 6.709 -2.827 1.00 32.42 O ATOM 1018 CB VAL A 62 -3.133 3.439 -2.387 1.00 14.11 C ATOM 1019 CG1 VAL A 62 -1.644 3.585 -2.229 1.00 21.43 C ATOM 1020 CG2 VAL A 62 -3.652 2.402 -1.419 1.00 11.22 C ATOM 0 H VAL A 62 -5.576 3.714 -2.631 1.00 25.15 H new ATOM 0 HA VAL A 62 -3.605 5.128 -1.148 1.00 22.53 H new ATOM 0 HB VAL A 62 -3.336 3.120 -3.409 1.00 14.11 H new ATOM 0 HG11 VAL A 62 -1.164 2.622 -2.402 1.00 21.43 H new ATOM 0 HG12 VAL A 62 -1.271 4.312 -2.951 1.00 21.43 H new ATOM 0 HG13 VAL A 62 -1.417 3.927 -1.219 1.00 21.43 H new ATOM 0 HG21 VAL A 62 -3.140 1.455 -1.591 1.00 11.22 H new ATOM 0 HG22 VAL A 62 -3.468 2.734 -0.397 1.00 11.22 H new ATOM 0 HG23 VAL A 62 -4.723 2.267 -1.570 1.00 11.22 H new ATOM 1030 N ALA A 63 -3.902 5.774 -4.366 1.00 43.14 N ATOM 1031 CA ALA A 63 -3.580 6.755 -5.399 1.00 73.42 C ATOM 1032 C ALA A 63 -4.125 8.105 -5.007 1.00 42.55 C ATOM 1033 O ALA A 63 -3.516 9.119 -5.244 1.00 51.25 O ATOM 1034 CB ALA A 63 -4.109 6.324 -6.751 1.00 63.44 C ATOM 0 H ALA A 63 -4.560 5.053 -4.663 1.00 43.14 H new ATOM 0 HA ALA A 63 -2.496 6.826 -5.486 1.00 73.42 H new ATOM 0 HB1 ALA A 63 -3.853 7.075 -7.498 1.00 63.44 H new ATOM 0 HB2 ALA A 63 -3.663 5.369 -7.029 1.00 63.44 H new ATOM 0 HB3 ALA A 63 -5.193 6.217 -6.700 1.00 63.44 H new ATOM 1040 N ASN A 64 -5.276 8.076 -4.391 1.00 65.34 N ATOM 1041 CA ASN A 64 -5.935 9.243 -3.818 1.00 62.50 C ATOM 1042 C ASN A 64 -5.140 9.817 -2.638 1.00 45.31 C ATOM 1043 O ASN A 64 -5.180 11.020 -2.362 1.00 20.40 O ATOM 1044 CB ASN A 64 -7.346 8.839 -3.417 1.00 71.42 C ATOM 1045 CG ASN A 64 -8.011 9.690 -2.365 1.00 61.13 C ATOM 1046 OD1 ASN A 64 -8.642 10.698 -2.668 1.00 41.53 O ATOM 1047 ND2 ASN A 64 -7.917 9.253 -1.128 1.00 42.33 N ATOM 0 H ASN A 64 -5.808 7.215 -4.264 1.00 65.34 H new ATOM 0 HA ASN A 64 -5.985 10.043 -4.557 1.00 62.50 H new ATOM 0 HB2 ASN A 64 -7.971 8.848 -4.310 1.00 71.42 H new ATOM 0 HB3 ASN A 64 -7.318 7.810 -3.058 1.00 71.42 H new ATOM 0 HD21 ASN A 64 -8.380 9.758 -0.372 1.00 42.33 H new ATOM 0 HD22 ASN A 64 -7.381 8.409 -0.924 1.00 42.33 H new ATOM 1054 N LEU A 65 -4.422 8.962 -1.955 1.00 75.15 N ATOM 1055 CA LEU A 65 -3.629 9.360 -0.833 1.00 14.13 C ATOM 1056 C LEU A 65 -2.383 10.100 -1.341 1.00 42.20 C ATOM 1057 O LEU A 65 -2.040 11.176 -0.864 1.00 44.12 O ATOM 1058 CB LEU A 65 -3.168 8.126 -0.063 1.00 13.15 C ATOM 1059 CG LEU A 65 -2.987 8.274 1.452 1.00 72.30 C ATOM 1060 CD1 LEU A 65 -3.081 9.691 1.910 1.00 72.15 C ATOM 1061 CD2 LEU A 65 -4.019 7.502 2.155 1.00 71.52 C ATOM 0 H LEU A 65 -4.375 7.966 -2.168 1.00 75.15 H new ATOM 0 HA LEU A 65 -4.223 10.003 -0.184 1.00 14.13 H new ATOM 0 HB2 LEU A 65 -3.889 7.328 -0.241 1.00 13.15 H new ATOM 0 HB3 LEU A 65 -2.219 7.798 -0.486 1.00 13.15 H new ATOM 0 HG LEU A 65 -1.988 7.904 1.681 1.00 72.30 H new ATOM 0 HD11 LEU A 65 -2.945 9.734 2.991 1.00 72.15 H new ATOM 0 HD12 LEU A 65 -2.306 10.283 1.423 1.00 72.15 H new ATOM 0 HD13 LEU A 65 -4.061 10.093 1.651 1.00 72.15 H new ATOM 0 HD21 LEU A 65 -3.885 7.611 3.231 1.00 71.52 H new ATOM 0 HD22 LEU A 65 -5.005 7.871 1.873 1.00 71.52 H new ATOM 0 HD23 LEU A 65 -3.934 6.450 1.884 1.00 71.52 H new ATOM 1073 N PHE A 66 -1.735 9.517 -2.332 1.00 32.31 N ATOM 1074 CA PHE A 66 -0.483 10.044 -2.869 1.00 1.41 C ATOM 1075 C PHE A 66 -0.733 10.723 -4.209 1.00 64.53 C ATOM 1076 O PHE A 66 0.085 10.622 -5.126 1.00 42.10 O ATOM 1077 CB PHE A 66 0.524 8.901 -3.071 1.00 31.24 C ATOM 1078 CG PHE A 66 0.700 7.992 -1.879 1.00 64.20 C ATOM 1079 CD1 PHE A 66 0.809 8.505 -0.597 1.00 3.42 C ATOM 1080 CD2 PHE A 66 0.744 6.621 -2.046 1.00 15.52 C ATOM 1081 CE1 PHE A 66 0.960 7.675 0.486 1.00 64.52 C ATOM 1082 CE2 PHE A 66 0.894 5.785 -0.964 1.00 73.42 C ATOM 1083 CZ PHE A 66 1.004 6.314 0.303 1.00 63.51 C ATOM 0 H PHE A 66 -2.057 8.665 -2.791 1.00 32.31 H new ATOM 0 HA PHE A 66 -0.081 10.768 -2.161 1.00 1.41 H new ATOM 0 HB2 PHE A 66 0.205 8.301 -3.923 1.00 31.24 H new ATOM 0 HB3 PHE A 66 1.492 9.330 -3.328 1.00 31.24 H new ATOM 0 HD1 PHE A 66 0.775 9.574 -0.447 1.00 3.42 H new ATOM 0 HD2 PHE A 66 0.660 6.201 -3.037 1.00 15.52 H new ATOM 0 HE1 PHE A 66 1.044 8.091 1.479 1.00 64.52 H new ATOM 0 HE2 PHE A 66 0.925 4.715 -1.108 1.00 73.42 H new ATOM 0 HZ PHE A 66 1.125 5.659 1.153 1.00 63.51 H new ATOM 1093 N ARG A 67 -1.831 11.442 -4.295 1.00 22.12 N ATOM 1094 CA ARG A 67 -2.248 12.113 -5.527 1.00 1.44 C ATOM 1095 C ARG A 67 -1.192 13.072 -6.077 1.00 22.34 C ATOM 1096 O ARG A 67 -0.955 14.156 -5.529 1.00 22.33 O ATOM 1097 CB ARG A 67 -3.589 12.828 -5.337 1.00 12.21 C ATOM 1098 CG ARG A 67 -4.774 11.931 -5.421 1.00 33.31 C ATOM 1099 CD ARG A 67 -5.055 11.552 -6.867 1.00 2.52 C ATOM 1100 NE ARG A 67 -5.363 12.746 -7.674 1.00 24.35 N ATOM 1101 CZ ARG A 67 -5.112 12.898 -8.979 1.00 24.41 C ATOM 1102 NH1 ARG A 67 -4.543 11.917 -9.678 1.00 35.41 N ATOM 1103 NH2 ARG A 67 -5.438 14.032 -9.582 1.00 30.10 N ATOM 0 H ARG A 67 -2.470 11.584 -3.513 1.00 22.12 H new ATOM 0 HA ARG A 67 -2.371 11.329 -6.274 1.00 1.44 H new ATOM 0 HB2 ARG A 67 -3.590 13.323 -4.366 1.00 12.21 H new ATOM 0 HB3 ARG A 67 -3.683 13.608 -6.093 1.00 12.21 H new ATOM 0 HG2 ARG A 67 -4.599 11.032 -4.831 1.00 33.31 H new ATOM 0 HG3 ARG A 67 -5.645 12.428 -4.994 1.00 33.31 H new ATOM 0 HD2 ARG A 67 -4.190 11.038 -7.287 1.00 2.52 H new ATOM 0 HD3 ARG A 67 -5.892 10.855 -6.908 1.00 2.52 H new ATOM 0 HE ARG A 67 -5.808 13.528 -7.194 1.00 24.35 H new ATOM 0 HH11 ARG A 67 -4.295 11.041 -9.218 1.00 35.41 H new ATOM 0 HH12 ARG A 67 -4.355 12.042 -10.673 1.00 35.41 H new ATOM 0 HH21 ARG A 67 -5.878 14.784 -9.051 1.00 30.10 H new ATOM 0 HH22 ARG A 67 -5.249 14.153 -10.577 1.00 30.10 H new ATOM 1117 N GLY A 68 -0.569 12.661 -7.150 1.00 13.34 N ATOM 1118 CA GLY A 68 0.444 13.447 -7.783 1.00 14.24 C ATOM 1119 C GLY A 68 1.772 12.743 -7.771 1.00 23.53 C ATOM 1120 O GLY A 68 2.600 12.941 -8.665 1.00 41.32 O ATOM 0 H GLY A 68 -0.754 11.768 -7.607 1.00 13.34 H new ATOM 0 HA2 GLY A 68 0.152 13.659 -8.812 1.00 14.24 H new ATOM 0 HA3 GLY A 68 0.534 14.406 -7.273 1.00 14.24 H new ATOM 1124 N GLN A 69 1.980 11.909 -6.774 1.00 62.34 N ATOM 1125 CA GLN A 69 3.215 11.187 -6.617 1.00 24.11 C ATOM 1126 C GLN A 69 3.131 9.836 -7.318 1.00 12.52 C ATOM 1127 O GLN A 69 2.944 8.796 -6.677 1.00 14.25 O ATOM 1128 CB GLN A 69 3.496 10.989 -5.136 1.00 4.34 C ATOM 1129 CG GLN A 69 3.498 12.279 -4.338 1.00 52.33 C ATOM 1130 CD GLN A 69 4.619 13.197 -4.693 1.00 62.22 C ATOM 1131 OE1 GLN A 69 5.702 13.126 -4.133 1.00 24.23 O ATOM 1132 NE2 GLN A 69 4.365 14.090 -5.561 1.00 43.53 N ATOM 0 H GLN A 69 1.290 11.715 -6.048 1.00 62.34 H new ATOM 0 HA GLN A 69 4.025 11.760 -7.068 1.00 24.11 H new ATOM 0 HB2 GLN A 69 2.746 10.316 -4.720 1.00 4.34 H new ATOM 0 HB3 GLN A 69 4.463 10.499 -5.021 1.00 4.34 H new ATOM 0 HG2 GLN A 69 2.552 12.796 -4.496 1.00 52.33 H new ATOM 0 HG3 GLN A 69 3.557 12.040 -3.276 1.00 52.33 H new ATOM 0 HE21 GLN A 69 3.449 14.120 -6.009 1.00 43.53 H new ATOM 0 HE22 GLN A 69 5.077 14.777 -5.809 1.00 43.53 H new ATOM 1141 N GLU A 70 3.272 9.854 -8.632 1.00 31.12 N ATOM 1142 CA GLU A 70 3.160 8.644 -9.450 1.00 43.34 C ATOM 1143 C GLU A 70 4.245 7.643 -9.121 1.00 42.55 C ATOM 1144 O GLU A 70 4.085 6.447 -9.365 1.00 62.02 O ATOM 1145 CB GLU A 70 3.219 8.971 -10.926 1.00 52.02 C ATOM 1146 CG GLU A 70 2.118 9.881 -11.409 1.00 13.32 C ATOM 1147 CD GLU A 70 2.200 10.087 -12.886 1.00 23.34 C ATOM 1148 OE1 GLU A 70 3.029 10.907 -13.335 1.00 13.24 O ATOM 1149 OE2 GLU A 70 1.453 9.418 -13.632 1.00 64.11 O ATOM 0 H GLU A 70 3.467 10.701 -9.167 1.00 31.12 H new ATOM 0 HA GLU A 70 2.191 8.202 -9.218 1.00 43.34 H new ATOM 0 HB2 GLU A 70 4.180 9.437 -11.144 1.00 52.02 H new ATOM 0 HB3 GLU A 70 3.180 8.041 -11.493 1.00 52.02 H new ATOM 0 HG2 GLU A 70 1.149 9.453 -11.152 1.00 13.32 H new ATOM 0 HG3 GLU A 70 2.187 10.842 -10.900 1.00 13.32 H new ATOM 1156 N ASP A 71 5.332 8.137 -8.558 1.00 61.40 N ATOM 1157 CA ASP A 71 6.486 7.326 -8.166 1.00 45.24 C ATOM 1158 C ASP A 71 6.053 6.240 -7.219 1.00 51.42 C ATOM 1159 O ASP A 71 6.368 5.060 -7.395 1.00 21.31 O ATOM 1160 CB ASP A 71 7.520 8.172 -7.438 1.00 43.25 C ATOM 1161 CG ASP A 71 7.908 9.450 -8.141 1.00 4.13 C ATOM 1162 OD1 ASP A 71 7.153 10.457 -8.015 1.00 30.12 O ATOM 1163 OD2 ASP A 71 8.981 9.497 -8.784 1.00 12.22 O ATOM 0 H ASP A 71 5.447 9.130 -8.354 1.00 61.40 H new ATOM 0 HA ASP A 71 6.915 6.906 -9.076 1.00 45.24 H new ATOM 0 HB2 ASP A 71 7.133 8.422 -6.450 1.00 43.25 H new ATOM 0 HB3 ASP A 71 8.417 7.572 -7.286 1.00 43.25 H new ATOM 1168 N LEU A 72 5.296 6.643 -6.238 1.00 64.11 N ATOM 1169 CA LEU A 72 4.833 5.758 -5.204 1.00 0.44 C ATOM 1170 C LEU A 72 3.753 4.842 -5.746 1.00 61.34 C ATOM 1171 O LEU A 72 3.727 3.651 -5.456 1.00 21.43 O ATOM 1172 CB LEU A 72 4.301 6.586 -4.034 1.00 73.03 C ATOM 1173 CG LEU A 72 5.307 7.556 -3.394 1.00 3.45 C ATOM 1174 CD1 LEU A 72 4.641 8.382 -2.319 1.00 74.52 C ATOM 1175 CD2 LEU A 72 6.501 6.807 -2.824 1.00 61.05 C ATOM 0 H LEU A 72 4.979 7.607 -6.132 1.00 64.11 H new ATOM 0 HA LEU A 72 5.659 5.139 -4.855 1.00 0.44 H new ATOM 0 HB2 LEU A 72 3.441 7.159 -4.380 1.00 73.03 H new ATOM 0 HB3 LEU A 72 3.941 5.904 -3.264 1.00 73.03 H new ATOM 0 HG LEU A 72 5.668 8.227 -4.174 1.00 3.45 H new ATOM 0 HD11 LEU A 72 5.370 9.062 -1.879 1.00 74.52 H new ATOM 0 HD12 LEU A 72 3.825 8.958 -2.756 1.00 74.52 H new ATOM 0 HD13 LEU A 72 4.246 7.723 -1.546 1.00 74.52 H new ATOM 0 HD21 LEU A 72 7.197 7.517 -2.377 1.00 61.05 H new ATOM 0 HD22 LEU A 72 6.161 6.105 -2.063 1.00 61.05 H new ATOM 0 HD23 LEU A 72 7.003 6.261 -3.623 1.00 61.05 H new ATOM 1187 N LEU A 73 2.941 5.386 -6.623 1.00 21.32 N ATOM 1188 CA LEU A 73 1.781 4.676 -7.145 1.00 41.31 C ATOM 1189 C LEU A 73 2.233 3.526 -8.032 1.00 22.34 C ATOM 1190 O LEU A 73 1.704 2.409 -7.966 1.00 71.34 O ATOM 1191 CB LEU A 73 0.889 5.648 -7.926 1.00 24.22 C ATOM 1192 CG LEU A 73 0.478 6.922 -7.169 1.00 10.44 C ATOM 1193 CD1 LEU A 73 -0.418 7.806 -7.990 1.00 22.13 C ATOM 1194 CD2 LEU A 73 -0.179 6.603 -5.852 1.00 72.33 C ATOM 0 H LEU A 73 3.059 6.328 -6.997 1.00 21.32 H new ATOM 0 HA LEU A 73 1.204 4.264 -6.317 1.00 41.31 H new ATOM 0 HB2 LEU A 73 1.410 5.940 -8.838 1.00 24.22 H new ATOM 0 HB3 LEU A 73 -0.014 5.120 -8.231 1.00 24.22 H new ATOM 0 HG LEU A 73 1.401 7.467 -6.971 1.00 10.44 H new ATOM 0 HD11 LEU A 73 -0.682 8.693 -7.414 1.00 22.13 H new ATOM 0 HD12 LEU A 73 0.102 8.106 -8.900 1.00 22.13 H new ATOM 0 HD13 LEU A 73 -1.325 7.261 -8.253 1.00 22.13 H new ATOM 0 HD21 LEU A 73 -0.454 7.530 -5.349 1.00 72.33 H new ATOM 0 HD22 LEU A 73 -1.074 6.006 -6.027 1.00 72.33 H new ATOM 0 HD23 LEU A 73 0.515 6.042 -5.226 1.00 72.33 H new ATOM 1206 N SER A 74 3.250 3.796 -8.811 1.00 73.23 N ATOM 1207 CA SER A 74 3.813 2.828 -9.706 1.00 71.40 C ATOM 1208 C SER A 74 4.531 1.710 -8.937 1.00 63.43 C ATOM 1209 O SER A 74 4.498 0.553 -9.343 1.00 0.12 O ATOM 1210 CB SER A 74 4.750 3.534 -10.667 1.00 54.51 C ATOM 1211 OG SER A 74 4.041 4.564 -11.357 1.00 1.23 O ATOM 0 H SER A 74 3.712 4.705 -8.839 1.00 73.23 H new ATOM 0 HA SER A 74 3.013 2.352 -10.273 1.00 71.40 H new ATOM 0 HB2 SER A 74 5.592 3.960 -10.122 1.00 54.51 H new ATOM 0 HB3 SER A 74 5.161 2.820 -11.381 1.00 54.51 H new ATOM 0 HG SER A 74 3.969 5.354 -10.781 1.00 1.23 H new ATOM 1217 N GLU A 75 5.161 2.044 -7.819 1.00 3.31 N ATOM 1218 CA GLU A 75 5.824 1.028 -7.012 1.00 54.51 C ATOM 1219 C GLU A 75 4.813 0.142 -6.315 1.00 13.41 C ATOM 1220 O GLU A 75 5.012 -1.071 -6.211 1.00 53.42 O ATOM 1221 CB GLU A 75 6.781 1.631 -5.997 1.00 0.51 C ATOM 1222 CG GLU A 75 8.029 2.231 -6.603 1.00 2.31 C ATOM 1223 CD GLU A 75 8.826 1.225 -7.399 1.00 64.04 C ATOM 1224 OE1 GLU A 75 8.867 0.034 -7.022 1.00 55.32 O ATOM 1225 OE2 GLU A 75 9.424 1.606 -8.422 1.00 44.34 O ATOM 0 H GLU A 75 5.227 2.994 -7.454 1.00 3.31 H new ATOM 0 HA GLU A 75 6.413 0.420 -7.698 1.00 54.51 H new ATOM 0 HB2 GLU A 75 6.257 2.403 -5.434 1.00 0.51 H new ATOM 0 HB3 GLU A 75 7.072 0.859 -5.285 1.00 0.51 H new ATOM 0 HG2 GLU A 75 7.751 3.063 -7.250 1.00 2.31 H new ATOM 0 HG3 GLU A 75 8.655 2.639 -5.809 1.00 2.31 H new ATOM 1232 N PHE A 76 3.732 0.751 -5.860 1.00 42.04 N ATOM 1233 CA PHE A 76 2.645 0.057 -5.185 1.00 63.53 C ATOM 1234 C PHE A 76 2.043 -0.990 -6.115 1.00 22.44 C ATOM 1235 O PHE A 76 1.948 -2.164 -5.752 1.00 74.40 O ATOM 1236 CB PHE A 76 1.596 1.090 -4.746 1.00 73.51 C ATOM 1237 CG PHE A 76 0.524 0.570 -3.840 1.00 12.13 C ATOM 1238 CD1 PHE A 76 0.846 0.067 -2.591 1.00 4.02 C ATOM 1239 CD2 PHE A 76 -0.804 0.617 -4.218 1.00 11.35 C ATOM 1240 CE1 PHE A 76 -0.131 -0.385 -1.736 1.00 51.23 C ATOM 1241 CE2 PHE A 76 -1.791 0.162 -3.369 1.00 61.13 C ATOM 1242 CZ PHE A 76 -1.452 -0.340 -2.120 1.00 73.14 C ATOM 0 H PHE A 76 3.581 1.756 -5.949 1.00 42.04 H new ATOM 0 HA PHE A 76 3.016 -0.462 -4.301 1.00 63.53 H new ATOM 0 HB2 PHE A 76 2.107 1.911 -4.243 1.00 73.51 H new ATOM 0 HB3 PHE A 76 1.125 1.506 -5.637 1.00 73.51 H new ATOM 0 HD1 PHE A 76 1.881 0.029 -2.284 1.00 4.02 H new ATOM 0 HD2 PHE A 76 -1.071 1.013 -5.186 1.00 11.35 H new ATOM 0 HE1 PHE A 76 0.137 -0.775 -0.765 1.00 51.23 H new ATOM 0 HE2 PHE A 76 -2.826 0.196 -3.675 1.00 61.13 H new ATOM 0 HZ PHE A 76 -2.223 -0.694 -1.451 1.00 73.14 H new