USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 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 Single : A 12 SER OG : rot 39:sc= 0.192 USER MOD Single : A 13 TYR OH : rot 106:sc= 0.894 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.194 USER MOD Single : A 24 HIS : no HE2:sc= 0.818 K(o=0.82,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 72:sc= 1.3 USER MOD Single : A 36 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.55) USER MOD Single : A 60 THR OG1 : rot 54:sc= 1.17 USER MOD Single : A 64 ASN : amide:sc= 0.024 X(o=0.024,f=0) USER MOD Single : A 69 GLN : amide:sc= 1.36 K(o=1.4,f=-10!) USER MOD Single : A 74 SER OG : rot 81:sc= 0.843 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.214 1.222 0.077 1.00 42.24 N ATOM 159 CA SER A 12 12.507 2.426 -0.684 1.00 5.01 C ATOM 160 C SER A 12 11.202 3.163 -0.998 1.00 53.32 C ATOM 161 O SER A 12 11.116 4.387 -0.873 1.00 42.21 O ATOM 162 CB SER A 12 13.240 2.053 -1.958 1.00 13.15 C ATOM 163 OG SER A 12 14.377 1.259 -1.654 1.00 4.44 O ATOM 0 HA SER A 12 13.145 3.089 -0.100 1.00 5.01 H new ATOM 0 HB2 SER A 12 12.572 1.506 -2.624 1.00 13.15 H new ATOM 0 HB3 SER A 12 13.548 2.955 -2.487 1.00 13.15 H new ATOM 0 HG SER A 12 14.158 0.637 -0.929 1.00 4.44 H new ATOM 169 N TYR A 13 10.188 2.387 -1.354 1.00 62.53 N ATOM 170 CA TYR A 13 8.850 2.889 -1.575 1.00 4.14 C ATOM 171 C TYR A 13 8.324 3.575 -0.299 1.00 0.03 C ATOM 172 O TYR A 13 7.951 4.743 -0.326 1.00 34.53 O ATOM 173 CB TYR A 13 7.944 1.715 -2.020 1.00 31.21 C ATOM 174 CG TYR A 13 6.449 1.940 -1.909 1.00 4.31 C ATOM 175 CD1 TYR A 13 5.780 2.801 -2.757 1.00 61.03 C ATOM 176 CD2 TYR A 13 5.710 1.261 -0.947 1.00 31.23 C ATOM 177 CE1 TYR A 13 4.416 2.982 -2.644 1.00 71.20 C ATOM 178 CE2 TYR A 13 4.352 1.439 -0.832 1.00 73.35 C ATOM 179 CZ TYR A 13 3.710 2.301 -1.683 1.00 65.31 C ATOM 180 OH TYR A 13 2.356 2.486 -1.570 1.00 21.34 O ATOM 0 H TYR A 13 10.278 1.381 -1.498 1.00 62.53 H new ATOM 0 HA TYR A 13 8.851 3.641 -2.364 1.00 4.14 H new ATOM 0 HB2 TYR A 13 8.178 1.477 -3.058 1.00 31.21 H new ATOM 0 HB3 TYR A 13 8.203 0.839 -1.426 1.00 31.21 H new ATOM 0 HD1 TYR A 13 6.329 3.338 -3.516 1.00 61.03 H new ATOM 0 HD2 TYR A 13 6.213 0.580 -0.277 1.00 31.23 H new ATOM 0 HE1 TYR A 13 3.904 3.659 -3.312 1.00 71.20 H new ATOM 0 HE2 TYR A 13 3.795 0.904 -0.077 1.00 73.35 H new ATOM 0 HH TYR A 13 1.888 1.698 -1.917 1.00 21.34 H new ATOM 190 N VAL A 14 8.367 2.858 0.810 1.00 13.44 N ATOM 191 CA VAL A 14 7.880 3.360 2.080 1.00 32.35 C ATOM 192 C VAL A 14 8.692 4.552 2.596 1.00 5.25 C ATOM 193 O VAL A 14 8.117 5.551 2.972 1.00 61.33 O ATOM 194 CB VAL A 14 7.780 2.249 3.164 1.00 40.03 C ATOM 195 CG1 VAL A 14 7.362 2.840 4.494 1.00 63.11 C ATOM 196 CG2 VAL A 14 6.780 1.181 2.748 1.00 23.22 C ATOM 0 H VAL A 14 8.741 1.910 0.854 1.00 13.44 H new ATOM 0 HA VAL A 14 6.869 3.716 1.881 1.00 32.35 H new ATOM 0 HB VAL A 14 8.765 1.793 3.268 1.00 40.03 H new ATOM 0 HG11 VAL A 14 7.297 2.048 5.240 1.00 63.11 H new ATOM 0 HG12 VAL A 14 8.098 3.578 4.812 1.00 63.11 H new ATOM 0 HG13 VAL A 14 6.389 3.320 4.389 1.00 63.11 H new ATOM 0 HG21 VAL A 14 6.725 0.413 3.520 1.00 23.22 H new ATOM 0 HG22 VAL A 14 5.797 1.634 2.616 1.00 23.22 H new ATOM 0 HG23 VAL A 14 7.100 0.729 1.809 1.00 23.22 H new ATOM 206 N ASN A 15 10.016 4.444 2.600 1.00 2.13 N ATOM 207 CA ASN A 15 10.916 5.505 3.064 1.00 12.25 C ATOM 208 C ASN A 15 10.647 6.805 2.322 1.00 74.11 C ATOM 209 O ASN A 15 10.690 7.904 2.912 1.00 11.51 O ATOM 210 CB ASN A 15 12.351 5.086 2.802 1.00 15.22 C ATOM 211 CG ASN A 15 13.344 5.922 3.552 1.00 54.31 C ATOM 212 OD1 ASN A 15 13.814 6.957 3.075 1.00 43.21 O ATOM 213 ND2 ASN A 15 13.684 5.477 4.723 1.00 71.11 N ATOM 0 H ASN A 15 10.505 3.609 2.278 1.00 2.13 H new ATOM 0 HA ASN A 15 10.747 5.663 4.129 1.00 12.25 H new ATOM 0 HB2 ASN A 15 12.477 4.040 3.083 1.00 15.22 H new ATOM 0 HB3 ASN A 15 12.556 5.156 1.734 1.00 15.22 H new ATOM 0 HD21 ASN A 15 14.364 5.989 5.285 1.00 71.11 H new ATOM 0 HD22 ASN A 15 13.271 4.616 5.081 1.00 71.11 H new ATOM 220 N LYS A 16 10.355 6.678 1.041 1.00 14.41 N ATOM 221 CA LYS A 16 10.045 7.789 0.218 1.00 0.23 C ATOM 222 C LYS A 16 8.733 8.407 0.685 1.00 70.24 C ATOM 223 O LYS A 16 8.639 9.614 0.810 1.00 73.40 O ATOM 224 CB LYS A 16 9.961 7.302 -1.195 1.00 51.13 C ATOM 225 CG LYS A 16 9.777 8.355 -2.253 1.00 2.25 C ATOM 226 CD LYS A 16 9.746 7.692 -3.608 1.00 44.53 C ATOM 227 CE LYS A 16 11.066 7.024 -3.942 1.00 40.03 C ATOM 228 NZ LYS A 16 11.093 6.470 -5.305 1.00 31.11 N ATOM 0 H LYS A 16 10.331 5.782 0.555 1.00 14.41 H new ATOM 0 HA LYS A 16 10.812 8.561 0.280 1.00 0.23 H new ATOM 0 HB2 LYS A 16 10.871 6.746 -1.420 1.00 51.13 H new ATOM 0 HB3 LYS A 16 9.132 6.598 -1.265 1.00 51.13 H new ATOM 0 HG2 LYS A 16 8.851 8.903 -2.081 1.00 2.25 H new ATOM 0 HG3 LYS A 16 10.590 9.080 -2.207 1.00 2.25 H new ATOM 0 HD2 LYS A 16 8.948 6.950 -3.631 1.00 44.53 H new ATOM 0 HD3 LYS A 16 9.512 8.435 -4.370 1.00 44.53 H new ATOM 0 HE2 LYS A 16 11.873 7.748 -3.833 1.00 40.03 H new ATOM 0 HE3 LYS A 16 11.256 6.225 -3.225 1.00 40.03 H new ATOM 0 HZ1 LYS A 16 12.052 6.132 -5.523 1.00 31.11 H new ATOM 0 HZ2 LYS A 16 10.423 5.677 -5.371 1.00 31.11 H new ATOM 0 HZ3 LYS A 16 10.823 7.209 -5.985 1.00 31.11 H new ATOM 242 N ILE A 17 7.742 7.561 0.992 1.00 43.42 N ATOM 243 CA ILE A 17 6.469 8.008 1.530 1.00 2.51 C ATOM 244 C ILE A 17 6.714 8.771 2.828 1.00 50.04 C ATOM 245 O ILE A 17 6.255 9.896 2.987 1.00 43.12 O ATOM 246 CB ILE A 17 5.538 6.817 1.876 1.00 4.41 C ATOM 247 CG1 ILE A 17 5.279 5.923 0.666 1.00 44.34 C ATOM 248 CG2 ILE A 17 4.235 7.334 2.435 1.00 74.55 C ATOM 249 CD1 ILE A 17 4.466 4.684 0.984 1.00 63.11 C ATOM 0 H ILE A 17 7.808 6.550 0.871 1.00 43.42 H new ATOM 0 HA ILE A 17 5.997 8.630 0.770 1.00 2.51 H new ATOM 0 HB ILE A 17 6.041 6.207 2.626 1.00 4.41 H new ATOM 0 HG12 ILE A 17 4.759 6.502 -0.097 1.00 44.34 H new ATOM 0 HG13 ILE A 17 6.235 5.619 0.239 1.00 44.34 H new ATOM 0 HG21 ILE A 17 3.584 6.494 2.677 1.00 74.55 H new ATOM 0 HG22 ILE A 17 4.431 7.913 3.338 1.00 74.55 H new ATOM 0 HG23 ILE A 17 3.748 7.969 1.695 1.00 74.55 H new ATOM 0 HD11 ILE A 17 4.323 4.099 0.075 1.00 63.11 H new ATOM 0 HD12 ILE A 17 4.994 4.082 1.724 1.00 63.11 H new ATOM 0 HD13 ILE A 17 3.495 4.978 1.382 1.00 63.11 H new ATOM 261 N LYS A 18 7.478 8.140 3.729 1.00 53.32 N ATOM 262 CA LYS A 18 7.796 8.686 5.037 1.00 41.12 C ATOM 263 C LYS A 18 8.336 10.115 4.915 1.00 65.00 C ATOM 264 O LYS A 18 7.931 10.980 5.628 1.00 42.43 O ATOM 265 CB LYS A 18 8.852 7.797 5.743 1.00 30.44 C ATOM 266 CG LYS A 18 8.451 6.338 5.842 1.00 54.40 C ATOM 267 CD LYS A 18 9.363 5.502 6.697 1.00 4.54 C ATOM 268 CE LYS A 18 9.040 5.779 8.109 1.00 43.13 C ATOM 269 NZ LYS A 18 9.695 4.858 9.062 1.00 42.43 N ATOM 0 H LYS A 18 7.894 7.224 3.559 1.00 53.32 H new ATOM 0 HA LYS A 18 6.880 8.705 5.627 1.00 41.12 H new ATOM 0 HB2 LYS A 18 9.796 7.870 5.202 1.00 30.44 H new ATOM 0 HB3 LYS A 18 9.029 8.185 6.746 1.00 30.44 H new ATOM 0 HG2 LYS A 18 7.439 6.278 6.244 1.00 54.40 H new ATOM 0 HG3 LYS A 18 8.422 5.913 4.839 1.00 54.40 H new ATOM 0 HD2 LYS A 18 9.229 4.443 6.476 1.00 4.54 H new ATOM 0 HD3 LYS A 18 10.406 5.742 6.490 1.00 4.54 H new ATOM 0 HE2 LYS A 18 9.334 6.802 8.346 1.00 43.13 H new ATOM 0 HE3 LYS A 18 7.960 5.719 8.244 1.00 43.13 H new ATOM 0 HZ1 LYS A 18 9.423 5.112 10.033 1.00 42.43 H new ATOM 0 HZ2 LYS A 18 9.396 3.882 8.863 1.00 42.43 H new ATOM 0 HZ3 LYS A 18 10.728 4.931 8.962 1.00 42.43 H new ATOM 283 N THR A 19 9.250 10.308 3.992 1.00 73.34 N ATOM 284 CA THR A 19 9.892 11.561 3.713 1.00 64.33 C ATOM 285 C THR A 19 8.965 12.568 2.956 1.00 11.44 C ATOM 286 O THR A 19 8.912 13.760 3.278 1.00 13.21 O ATOM 287 CB THR A 19 11.123 11.211 2.866 1.00 31.13 C ATOM 288 OG1 THR A 19 12.108 10.501 3.638 1.00 4.42 O ATOM 289 CG2 THR A 19 11.701 12.386 2.147 1.00 64.02 C ATOM 0 H THR A 19 9.578 9.554 3.388 1.00 73.34 H new ATOM 0 HA THR A 19 10.155 12.066 4.643 1.00 64.33 H new ATOM 0 HB THR A 19 10.775 10.538 2.082 1.00 31.13 H new ATOM 0 HG1 THR A 19 11.917 9.540 3.608 1.00 4.42 H new ATOM 0 HG21 THR A 19 12.568 12.068 1.568 1.00 64.02 H new ATOM 0 HG22 THR A 19 10.952 12.807 1.477 1.00 64.02 H new ATOM 0 HG23 THR A 19 12.006 13.142 2.871 1.00 64.02 H new ATOM 297 N ARG A 20 8.263 12.090 1.964 1.00 71.33 N ATOM 298 CA ARG A 20 7.429 12.940 1.115 1.00 64.54 C ATOM 299 C ARG A 20 6.170 13.397 1.816 1.00 70.00 C ATOM 300 O ARG A 20 5.559 14.390 1.436 1.00 33.10 O ATOM 301 CB ARG A 20 7.127 12.206 -0.185 1.00 53.13 C ATOM 302 CG ARG A 20 8.354 12.108 -1.097 1.00 3.52 C ATOM 303 CD ARG A 20 8.677 13.427 -1.804 1.00 62.00 C ATOM 304 NE ARG A 20 7.739 13.725 -2.899 1.00 11.05 N ATOM 305 CZ ARG A 20 7.729 14.851 -3.632 1.00 11.31 C ATOM 306 NH1 ARG A 20 8.539 15.861 -3.340 1.00 43.55 N ATOM 307 NH2 ARG A 20 6.900 14.945 -4.666 1.00 41.13 N ATOM 0 H ARG A 20 8.244 11.102 1.711 1.00 71.33 H new ATOM 0 HA ARG A 20 7.981 13.852 0.886 1.00 64.54 H new ATOM 0 HB2 ARG A 20 6.765 11.203 0.042 1.00 53.13 H new ATOM 0 HB3 ARG A 20 6.325 12.722 -0.713 1.00 53.13 H new ATOM 0 HG2 ARG A 20 9.216 11.798 -0.506 1.00 3.52 H new ATOM 0 HG3 ARG A 20 8.184 11.333 -1.844 1.00 3.52 H new ATOM 0 HD2 ARG A 20 8.653 14.240 -1.078 1.00 62.00 H new ATOM 0 HD3 ARG A 20 9.691 13.384 -2.201 1.00 62.00 H new ATOM 0 HE ARG A 20 7.038 13.017 -3.120 1.00 11.05 H new ATOM 0 HH11 ARG A 20 9.180 15.789 -2.550 1.00 43.55 H new ATOM 0 HH12 ARG A 20 8.520 16.710 -3.905 1.00 43.55 H new ATOM 0 HH21 ARG A 20 6.281 14.168 -4.895 1.00 41.13 H new ATOM 0 HH22 ARG A 20 6.883 15.795 -5.230 1.00 41.13 H new ATOM 321 N PHE A 21 5.807 12.685 2.836 1.00 4.35 N ATOM 322 CA PHE A 21 4.649 12.992 3.638 1.00 21.10 C ATOM 323 C PHE A 21 5.108 13.103 5.074 1.00 11.51 C ATOM 324 O PHE A 21 4.360 12.858 6.013 1.00 63.24 O ATOM 325 CB PHE A 21 3.624 11.870 3.490 1.00 0.24 C ATOM 326 CG PHE A 21 3.149 11.669 2.076 1.00 1.55 C ATOM 327 CD1 PHE A 21 3.854 10.869 1.190 1.00 75.04 C ATOM 328 CD2 PHE A 21 1.989 12.256 1.645 1.00 65.33 C ATOM 329 CE1 PHE A 21 3.410 10.671 -0.082 1.00 70.10 C ATOM 330 CE2 PHE A 21 1.539 12.064 0.363 1.00 25.00 C ATOM 331 CZ PHE A 21 2.245 11.272 -0.501 1.00 11.41 C ATOM 0 H PHE A 21 6.313 11.856 3.147 1.00 4.35 H new ATOM 0 HA PHE A 21 4.184 13.926 3.321 1.00 21.10 H new ATOM 0 HB2 PHE A 21 4.061 10.940 3.853 1.00 0.24 H new ATOM 0 HB3 PHE A 21 2.765 12.088 4.125 1.00 0.24 H new ATOM 0 HD1 PHE A 21 4.769 10.396 1.514 1.00 75.04 H new ATOM 0 HD2 PHE A 21 1.422 12.877 2.322 1.00 65.33 H new ATOM 0 HE1 PHE A 21 3.970 10.044 -0.760 1.00 70.10 H new ATOM 0 HE2 PHE A 21 0.626 12.539 0.035 1.00 25.00 H new ATOM 0 HZ PHE A 21 1.889 11.119 -1.509 1.00 11.41 H new ATOM 341 N LEU A 22 6.340 13.557 5.218 1.00 70.15 N ATOM 342 CA LEU A 22 7.030 13.634 6.489 1.00 60.22 C ATOM 343 C LEU A 22 6.332 14.595 7.451 1.00 13.23 C ATOM 344 O LEU A 22 6.308 14.369 8.663 1.00 52.32 O ATOM 345 CB LEU A 22 8.497 14.055 6.242 1.00 33.52 C ATOM 346 CG LEU A 22 9.594 13.235 6.895 1.00 21.10 C ATOM 347 CD1 LEU A 22 10.958 13.845 6.638 1.00 22.30 C ATOM 348 CD2 LEU A 22 9.347 13.091 8.337 1.00 64.22 C ATOM 0 H LEU A 22 6.901 13.890 4.434 1.00 70.15 H new ATOM 0 HA LEU A 22 7.012 12.652 6.962 1.00 60.22 H new ATOM 0 HB2 LEU A 22 8.670 14.047 5.166 1.00 33.52 H new ATOM 0 HB3 LEU A 22 8.609 15.087 6.575 1.00 33.52 H new ATOM 0 HG LEU A 22 9.584 12.241 6.447 1.00 21.10 H new ATOM 0 HD11 LEU A 22 11.725 13.237 7.118 1.00 22.30 H new ATOM 0 HD12 LEU A 22 11.143 13.883 5.565 1.00 22.30 H new ATOM 0 HD13 LEU A 22 10.988 14.855 7.047 1.00 22.30 H new ATOM 0 HD21 LEU A 22 10.145 12.500 8.786 1.00 64.22 H new ATOM 0 HD22 LEU A 22 9.320 14.077 8.802 1.00 64.22 H new ATOM 0 HD23 LEU A 22 8.392 12.590 8.494 1.00 64.22 H new ATOM 360 N ASP A 23 5.732 15.635 6.907 1.00 3.11 N ATOM 361 CA ASP A 23 5.067 16.627 7.710 1.00 22.42 C ATOM 362 C ASP A 23 3.650 16.231 8.012 1.00 15.15 C ATOM 363 O ASP A 23 3.004 16.817 8.885 1.00 44.34 O ATOM 364 CB ASP A 23 5.070 17.984 7.033 1.00 13.11 C ATOM 365 CG ASP A 23 6.421 18.635 6.991 1.00 12.42 C ATOM 366 OD1 ASP A 23 6.990 18.923 8.054 1.00 41.41 O ATOM 367 OD2 ASP A 23 6.949 18.877 5.892 1.00 25.43 O ATOM 0 H ASP A 23 5.695 15.811 5.903 1.00 3.11 H new ATOM 0 HA ASP A 23 5.624 16.695 8.644 1.00 22.42 H new ATOM 0 HB2 ASP A 23 4.699 17.873 6.014 1.00 13.11 H new ATOM 0 HB3 ASP A 23 4.376 18.642 7.555 1.00 13.11 H new ATOM 372 N HIS A 24 3.169 15.233 7.323 1.00 1.33 N ATOM 373 CA HIS A 24 1.801 14.777 7.480 1.00 22.34 C ATOM 374 C HIS A 24 1.732 13.280 7.738 1.00 42.51 C ATOM 375 O HIS A 24 1.449 12.492 6.818 1.00 43.15 O ATOM 376 CB HIS A 24 0.930 15.130 6.266 1.00 3.24 C ATOM 377 CG HIS A 24 0.513 16.538 6.144 1.00 33.23 C ATOM 378 ND1 HIS A 24 -0.483 17.143 6.892 1.00 4.04 N ATOM 379 CD2 HIS A 24 0.957 17.448 5.309 1.00 11.40 C ATOM 380 CE1 HIS A 24 -0.593 18.404 6.477 1.00 25.51 C ATOM 381 NE2 HIS A 24 0.270 18.650 5.501 1.00 21.12 N ATOM 0 H HIS A 24 3.708 14.708 6.635 1.00 1.33 H new ATOM 0 HA HIS A 24 1.407 15.302 8.350 1.00 22.34 H new ATOM 0 HB2 HIS A 24 1.476 14.856 5.363 1.00 3.24 H new ATOM 0 HB3 HIS A 24 0.034 14.510 6.297 1.00 3.24 H new ATOM 0 HD1 HIS A 24 -1.034 16.702 7.629 1.00 4.04 H new ATOM 0 HD2 HIS A 24 1.739 17.291 4.580 1.00 11.40 H new ATOM 0 HE1 HIS A 24 -1.288 19.126 6.880 1.00 25.51 H new ATOM 389 N PRO A 25 1.987 12.845 8.989 1.00 32.15 N ATOM 390 CA PRO A 25 1.938 11.431 9.357 1.00 3.13 C ATOM 391 C PRO A 25 0.543 10.842 9.167 1.00 10.31 C ATOM 392 O PRO A 25 0.389 9.645 9.021 1.00 24.42 O ATOM 393 CB PRO A 25 2.323 11.424 10.839 1.00 33.23 C ATOM 394 CG PRO A 25 3.036 12.708 11.054 1.00 52.21 C ATOM 395 CD PRO A 25 2.379 13.686 10.138 1.00 25.20 C ATOM 0 HA PRO A 25 2.598 10.826 8.736 1.00 3.13 H new ATOM 0 HB2 PRO A 25 1.442 11.350 11.476 1.00 33.23 H new ATOM 0 HB3 PRO A 25 2.961 10.573 11.078 1.00 33.23 H new ATOM 0 HG2 PRO A 25 2.960 13.030 12.092 1.00 52.21 H new ATOM 0 HG3 PRO A 25 4.098 12.610 10.828 1.00 52.21 H new ATOM 0 HD2 PRO A 25 1.516 14.161 10.605 1.00 25.20 H new ATOM 0 HD3 PRO A 25 3.060 14.484 9.842 1.00 25.20 H new ATOM 403 N GLU A 26 -0.459 11.713 9.123 1.00 52.32 N ATOM 404 CA GLU A 26 -1.845 11.334 8.921 1.00 4.53 C ATOM 405 C GLU A 26 -2.052 10.701 7.533 1.00 34.02 C ATOM 406 O GLU A 26 -2.910 9.860 7.374 1.00 50.10 O ATOM 407 CB GLU A 26 -2.711 12.570 9.050 1.00 52.14 C ATOM 408 CG GLU A 26 -2.486 13.591 7.960 1.00 1.33 C ATOM 409 CD GLU A 26 -3.210 14.872 8.203 1.00 71.43 C ATOM 410 OE1 GLU A 26 -4.454 14.881 8.188 1.00 3.01 O ATOM 411 OE2 GLU A 26 -2.540 15.902 8.464 1.00 14.52 O ATOM 0 H GLU A 26 -0.324 12.719 9.229 1.00 52.32 H new ATOM 0 HA GLU A 26 -2.121 10.595 9.673 1.00 4.53 H new ATOM 0 HB2 GLU A 26 -3.759 12.270 9.043 1.00 52.14 H new ATOM 0 HB3 GLU A 26 -2.520 13.036 10.016 1.00 52.14 H new ATOM 0 HG2 GLU A 26 -1.418 13.794 7.875 1.00 1.33 H new ATOM 0 HG3 GLU A 26 -2.808 13.173 7.006 1.00 1.33 H new ATOM 418 N ILE A 27 -1.252 11.099 6.546 1.00 42.14 N ATOM 419 CA ILE A 27 -1.389 10.550 5.211 1.00 65.22 C ATOM 420 C ILE A 27 -0.779 9.175 5.189 1.00 31.42 C ATOM 421 O ILE A 27 -1.355 8.232 4.655 1.00 24.12 O ATOM 422 CB ILE A 27 -0.756 11.472 4.152 1.00 0.40 C ATOM 423 CG1 ILE A 27 -1.434 12.844 4.248 1.00 71.11 C ATOM 424 CG2 ILE A 27 -0.927 10.872 2.739 1.00 2.30 C ATOM 425 CD1 ILE A 27 -0.905 13.865 3.293 1.00 50.54 C ATOM 0 H ILE A 27 -0.511 11.793 6.649 1.00 42.14 H new ATOM 0 HA ILE A 27 -2.447 10.477 4.957 1.00 65.22 H new ATOM 0 HB ILE A 27 0.314 11.574 4.335 1.00 0.40 H new ATOM 0 HG12 ILE A 27 -2.503 12.720 4.073 1.00 71.11 H new ATOM 0 HG13 ILE A 27 -1.319 13.222 5.264 1.00 71.11 H new ATOM 0 HG21 ILE A 27 -0.474 11.537 2.004 1.00 2.30 H new ATOM 0 HG22 ILE A 27 -0.440 9.898 2.696 1.00 2.30 H new ATOM 0 HG23 ILE A 27 -1.988 10.757 2.519 1.00 2.30 H new ATOM 0 HD11 ILE A 27 -1.441 14.804 3.430 1.00 50.54 H new ATOM 0 HD12 ILE A 27 0.157 14.023 3.481 1.00 50.54 H new ATOM 0 HD13 ILE A 27 -1.045 13.514 2.271 1.00 50.54 H new ATOM 437 N TYR A 28 0.362 9.062 5.862 1.00 53.35 N ATOM 438 CA TYR A 28 1.061 7.793 6.052 1.00 34.31 C ATOM 439 C TYR A 28 0.080 6.835 6.737 1.00 22.15 C ATOM 440 O TYR A 28 -0.151 5.717 6.299 1.00 45.22 O ATOM 441 CB TYR A 28 2.258 8.040 6.993 1.00 2.53 C ATOM 442 CG TYR A 28 3.272 6.919 7.076 1.00 44.40 C ATOM 443 CD1 TYR A 28 4.263 6.771 6.113 1.00 1.12 C ATOM 444 CD2 TYR A 28 3.228 5.999 8.109 1.00 10.14 C ATOM 445 CE1 TYR A 28 5.168 5.740 6.182 1.00 0.01 C ATOM 446 CE2 TYR A 28 4.142 4.969 8.187 1.00 12.13 C ATOM 447 CZ TYR A 28 5.105 4.841 7.225 1.00 12.03 C ATOM 448 OH TYR A 28 6.005 3.800 7.300 1.00 72.41 O ATOM 0 H TYR A 28 0.833 9.856 6.296 1.00 53.35 H new ATOM 0 HA TYR A 28 1.411 7.381 5.105 1.00 34.31 H new ATOM 0 HB2 TYR A 28 2.771 8.945 6.668 1.00 2.53 H new ATOM 0 HB3 TYR A 28 1.875 8.233 7.995 1.00 2.53 H new ATOM 0 HD1 TYR A 28 4.322 7.477 5.298 1.00 1.12 H new ATOM 0 HD2 TYR A 28 2.464 6.089 8.867 1.00 10.14 H new ATOM 0 HE1 TYR A 28 5.927 5.634 5.421 1.00 0.01 H new ATOM 0 HE2 TYR A 28 4.097 4.266 9.005 1.00 12.13 H new ATOM 0 HH TYR A 28 5.818 3.263 8.098 1.00 72.41 H new ATOM 458 N ARG A 29 -0.515 7.359 7.783 1.00 4.34 N ATOM 459 CA ARG A 29 -1.499 6.728 8.610 1.00 71.50 C ATOM 460 C ARG A 29 -2.730 6.258 7.816 1.00 3.22 C ATOM 461 O ARG A 29 -3.137 5.095 7.915 1.00 40.45 O ATOM 462 CB ARG A 29 -1.930 7.761 9.570 1.00 24.31 C ATOM 463 CG ARG A 29 -2.819 7.263 10.591 1.00 70.12 C ATOM 464 CD ARG A 29 -3.291 8.373 11.441 1.00 3.41 C ATOM 465 NE ARG A 29 -4.114 9.376 10.719 1.00 12.31 N ATOM 466 CZ ARG A 29 -5.333 9.156 10.159 1.00 61.33 C ATOM 467 NH1 ARG A 29 -5.925 7.970 10.259 1.00 0.35 N ATOM 468 NH2 ARG A 29 -5.971 10.140 9.542 1.00 23.34 N ATOM 0 H ARG A 29 -0.304 8.307 8.095 1.00 4.34 H new ATOM 0 HA ARG A 29 -1.070 5.843 9.079 1.00 71.50 H new ATOM 0 HB2 ARG A 29 -1.050 8.194 10.045 1.00 24.31 H new ATOM 0 HB3 ARG A 29 -2.427 8.565 9.027 1.00 24.31 H new ATOM 0 HG2 ARG A 29 -3.670 6.761 10.130 1.00 70.12 H new ATOM 0 HG3 ARG A 29 -2.304 6.521 11.202 1.00 70.12 H new ATOM 0 HD2 ARG A 29 -3.875 7.963 12.265 1.00 3.41 H new ATOM 0 HD3 ARG A 29 -2.428 8.874 11.880 1.00 3.41 H new ATOM 0 HE ARG A 29 -3.729 10.317 10.635 1.00 12.31 H new ATOM 0 HH11 ARG A 29 -5.464 7.211 10.761 1.00 0.35 H new ATOM 0 HH12 ARG A 29 -6.840 7.819 9.834 1.00 0.35 H new ATOM 0 HH21 ARG A 29 -5.548 11.066 9.486 1.00 23.34 H new ATOM 0 HH22 ARG A 29 -6.885 9.971 9.123 1.00 23.34 H new ATOM 482 N SER A 30 -3.312 7.170 7.033 1.00 33.55 N ATOM 483 CA SER A 30 -4.499 6.883 6.238 1.00 34.01 C ATOM 484 C SER A 30 -4.200 5.802 5.216 1.00 75.11 C ATOM 485 O SER A 30 -5.077 5.059 4.803 1.00 34.13 O ATOM 486 CB SER A 30 -5.028 8.154 5.558 1.00 71.41 C ATOM 487 OG SER A 30 -5.354 9.156 6.521 1.00 3.42 O ATOM 0 H SER A 30 -2.971 8.126 6.935 1.00 33.55 H new ATOM 0 HA SER A 30 -5.279 6.518 6.906 1.00 34.01 H new ATOM 0 HB2 SER A 30 -4.278 8.540 4.868 1.00 71.41 H new ATOM 0 HB3 SER A 30 -5.911 7.913 4.967 1.00 71.41 H new ATOM 0 HG SER A 30 -4.529 9.528 6.898 1.00 3.42 H new ATOM 493 N PHE A 31 -2.969 5.740 4.792 1.00 34.32 N ATOM 494 CA PHE A 31 -2.545 4.703 3.913 1.00 50.41 C ATOM 495 C PHE A 31 -2.413 3.378 4.652 1.00 12.34 C ATOM 496 O PHE A 31 -2.878 2.339 4.175 1.00 1.05 O ATOM 497 CB PHE A 31 -1.229 5.057 3.261 1.00 75.14 C ATOM 498 CG PHE A 31 -0.625 3.887 2.587 1.00 35.23 C ATOM 499 CD1 PHE A 31 -1.223 3.357 1.465 1.00 51.21 C ATOM 500 CD2 PHE A 31 0.491 3.277 3.114 1.00 32.23 C ATOM 501 CE1 PHE A 31 -0.720 2.238 0.863 1.00 23.12 C ATOM 502 CE2 PHE A 31 1.015 2.147 2.528 1.00 12.44 C ATOM 503 CZ PHE A 31 0.407 1.620 1.393 1.00 62.21 C ATOM 0 H PHE A 31 -2.240 6.406 5.048 1.00 34.32 H new ATOM 0 HA PHE A 31 -3.306 4.596 3.140 1.00 50.41 H new ATOM 0 HB2 PHE A 31 -1.384 5.856 2.536 1.00 75.14 H new ATOM 0 HB3 PHE A 31 -0.540 5.440 4.014 1.00 75.14 H new ATOM 0 HD1 PHE A 31 -2.102 3.833 1.055 1.00 51.21 H new ATOM 0 HD2 PHE A 31 0.960 3.689 3.995 1.00 32.23 H new ATOM 0 HE1 PHE A 31 -1.195 1.836 -0.020 1.00 23.12 H new ATOM 0 HE2 PHE A 31 1.891 1.673 2.946 1.00 12.44 H new ATOM 0 HZ PHE A 31 0.809 0.734 0.925 1.00 62.21 H new ATOM 513 N LEU A 32 -1.757 3.421 5.792 1.00 1.52 N ATOM 514 CA LEU A 32 -1.514 2.257 6.618 1.00 14.04 C ATOM 515 C LEU A 32 -2.784 1.517 6.922 1.00 64.40 C ATOM 516 O LEU A 32 -2.817 0.293 6.891 1.00 70.10 O ATOM 517 CB LEU A 32 -0.840 2.684 7.907 1.00 34.31 C ATOM 518 CG LEU A 32 0.583 3.189 7.788 1.00 52.41 C ATOM 519 CD1 LEU A 32 1.093 3.550 9.151 1.00 33.54 C ATOM 520 CD2 LEU A 32 1.493 2.159 7.113 1.00 54.30 C ATOM 0 H LEU A 32 -1.370 4.282 6.178 1.00 1.52 H new ATOM 0 HA LEU A 32 -0.863 1.579 6.066 1.00 14.04 H new ATOM 0 HB2 LEU A 32 -1.443 3.468 8.365 1.00 34.31 H new ATOM 0 HB3 LEU A 32 -0.845 1.836 8.592 1.00 34.31 H new ATOM 0 HG LEU A 32 0.589 4.076 7.154 1.00 52.41 H new ATOM 0 HD11 LEU A 32 2.117 3.914 9.072 1.00 33.54 H new ATOM 0 HD12 LEU A 32 0.463 4.329 9.581 1.00 33.54 H new ATOM 0 HD13 LEU A 32 1.070 2.670 9.793 1.00 33.54 H new ATOM 0 HD21 LEU A 32 2.506 2.557 7.045 1.00 54.30 H new ATOM 0 HD22 LEU A 32 1.502 1.241 7.701 1.00 54.30 H new ATOM 0 HD23 LEU A 32 1.120 1.945 6.112 1.00 54.30 H new ATOM 532 N GLU A 33 -3.832 2.258 7.149 1.00 4.54 N ATOM 533 CA GLU A 33 -5.102 1.688 7.475 1.00 34.12 C ATOM 534 C GLU A 33 -5.687 0.913 6.280 1.00 5.44 C ATOM 535 O GLU A 33 -6.382 -0.080 6.461 1.00 31.44 O ATOM 536 CB GLU A 33 -6.033 2.775 7.961 1.00 63.24 C ATOM 537 CG GLU A 33 -6.668 3.645 6.898 1.00 3.41 C ATOM 538 CD GLU A 33 -7.515 4.705 7.524 1.00 1.53 C ATOM 539 OE1 GLU A 33 -6.970 5.647 8.118 1.00 24.23 O ATOM 540 OE2 GLU A 33 -8.748 4.581 7.490 1.00 41.24 O ATOM 0 H GLU A 33 -3.826 3.277 7.112 1.00 4.54 H new ATOM 0 HA GLU A 33 -4.975 0.964 8.280 1.00 34.12 H new ATOM 0 HB2 GLU A 33 -6.829 2.308 8.540 1.00 63.24 H new ATOM 0 HB3 GLU A 33 -5.478 3.420 8.643 1.00 63.24 H new ATOM 0 HG2 GLU A 33 -5.892 4.106 6.286 1.00 3.41 H new ATOM 0 HG3 GLU A 33 -7.276 3.031 6.233 1.00 3.41 H new ATOM 547 N ILE A 34 -5.349 1.350 5.067 1.00 52.12 N ATOM 548 CA ILE A 34 -5.770 0.711 3.851 1.00 24.24 C ATOM 549 C ILE A 34 -4.998 -0.570 3.691 1.00 60.30 C ATOM 550 O ILE A 34 -5.557 -1.602 3.344 1.00 44.11 O ATOM 551 CB ILE A 34 -5.481 1.629 2.642 1.00 1.50 C ATOM 552 CG1 ILE A 34 -6.285 2.919 2.769 1.00 42.21 C ATOM 553 CG2 ILE A 34 -5.763 0.913 1.320 1.00 1.13 C ATOM 554 CD1 ILE A 34 -5.897 3.985 1.788 1.00 3.23 C ATOM 0 H ILE A 34 -4.765 2.172 4.915 1.00 52.12 H new ATOM 0 HA ILE A 34 -6.840 0.509 3.897 1.00 24.24 H new ATOM 0 HB ILE A 34 -4.421 1.884 2.640 1.00 1.50 H new ATOM 0 HG12 ILE A 34 -7.342 2.689 2.639 1.00 42.21 H new ATOM 0 HG13 ILE A 34 -6.166 3.310 3.779 1.00 42.21 H new ATOM 0 HG21 ILE A 34 -5.550 1.586 0.489 1.00 1.13 H new ATOM 0 HG22 ILE A 34 -5.130 0.029 1.243 1.00 1.13 H new ATOM 0 HG23 ILE A 34 -6.810 0.613 1.285 1.00 1.13 H new ATOM 0 HD11 ILE A 34 -6.516 4.868 1.946 1.00 3.23 H new ATOM 0 HD12 ILE A 34 -4.849 4.247 1.931 1.00 3.23 H new ATOM 0 HD13 ILE A 34 -6.044 3.616 0.773 1.00 3.23 H new ATOM 566 N LEU A 35 -3.714 -0.502 3.975 1.00 43.55 N ATOM 567 CA LEU A 35 -2.850 -1.627 3.863 1.00 3.11 C ATOM 568 C LEU A 35 -3.268 -2.678 4.899 1.00 72.23 C ATOM 569 O LEU A 35 -3.342 -3.862 4.588 1.00 73.42 O ATOM 570 CB LEU A 35 -1.414 -1.154 4.063 1.00 43.34 C ATOM 571 CG LEU A 35 -0.288 -1.983 3.427 1.00 73.12 C ATOM 572 CD1 LEU A 35 -0.146 -3.363 4.051 1.00 5.43 C ATOM 573 CD2 LEU A 35 -0.485 -2.100 1.916 1.00 4.43 C ATOM 0 H LEU A 35 -3.250 0.349 4.292 1.00 43.55 H new ATOM 0 HA LEU A 35 -2.919 -2.089 2.878 1.00 3.11 H new ATOM 0 HB2 LEU A 35 -1.340 -0.138 3.676 1.00 43.34 H new ATOM 0 HB3 LEU A 35 -1.226 -1.102 5.135 1.00 43.34 H new ATOM 0 HG LEU A 35 0.640 -1.447 3.626 1.00 73.12 H new ATOM 0 HD11 LEU A 35 0.665 -3.902 3.561 1.00 5.43 H new ATOM 0 HD12 LEU A 35 0.076 -3.261 5.113 1.00 5.43 H new ATOM 0 HD13 LEU A 35 -1.077 -3.916 3.926 1.00 5.43 H new ATOM 0 HD21 LEU A 35 0.325 -2.691 1.488 1.00 4.43 H new ATOM 0 HD22 LEU A 35 -1.438 -2.587 1.710 1.00 4.43 H new ATOM 0 HD23 LEU A 35 -0.482 -1.105 1.471 1.00 4.43 H new ATOM 585 N HIS A 36 -3.570 -2.232 6.114 1.00 3.05 N ATOM 586 CA HIS A 36 -4.076 -3.125 7.150 1.00 65.24 C ATOM 587 C HIS A 36 -5.402 -3.734 6.720 1.00 65.11 C ATOM 588 O HIS A 36 -5.581 -4.939 6.803 1.00 64.24 O ATOM 589 CB HIS A 36 -4.194 -2.424 8.512 1.00 20.32 C ATOM 590 CG HIS A 36 -2.870 -2.100 9.142 1.00 63.25 C ATOM 591 ND1 HIS A 36 -2.521 -0.859 9.635 1.00 42.21 N ATOM 592 CD2 HIS A 36 -1.812 -2.907 9.392 1.00 22.44 C ATOM 593 CE1 HIS A 36 -1.298 -0.948 10.155 1.00 24.21 C ATOM 594 NE2 HIS A 36 -0.819 -2.175 10.035 1.00 24.14 N ATOM 0 H HIS A 36 -3.473 -1.259 6.405 1.00 3.05 H new ATOM 0 HA HIS A 36 -3.352 -3.930 7.278 1.00 65.24 H new ATOM 0 HB2 HIS A 36 -4.762 -1.502 8.388 1.00 20.32 H new ATOM 0 HB3 HIS A 36 -4.763 -3.060 9.190 1.00 20.32 H new ATOM 0 HD2 HIS A 36 -1.749 -3.954 9.133 1.00 22.44 H new ATOM 0 HE1 HIS A 36 -0.768 -0.127 10.614 1.00 24.21 H new ATOM 0 HE2 HIS A 36 0.090 -2.514 10.349 1.00 24.14 H new ATOM 602 N THR A 37 -6.286 -2.896 6.201 1.00 11.11 N ATOM 603 CA THR A 37 -7.563 -3.315 5.623 1.00 52.10 C ATOM 604 C THR A 37 -7.343 -4.429 4.586 1.00 1.13 C ATOM 605 O THR A 37 -7.992 -5.485 4.627 1.00 0.30 O ATOM 606 CB THR A 37 -8.213 -2.079 4.941 1.00 62.32 C ATOM 607 OG1 THR A 37 -8.768 -1.185 5.915 1.00 63.41 O ATOM 608 CG2 THR A 37 -9.224 -2.418 3.852 1.00 61.33 C ATOM 0 H THR A 37 -6.138 -1.887 6.167 1.00 11.11 H new ATOM 0 HA THR A 37 -8.214 -3.704 6.406 1.00 52.10 H new ATOM 0 HB THR A 37 -7.400 -1.572 4.422 1.00 62.32 H new ATOM 0 HG1 THR A 37 -8.082 -0.546 6.201 1.00 63.41 H new ATOM 0 HG21 THR A 37 -9.627 -1.497 3.431 1.00 61.33 H new ATOM 0 HG22 THR A 37 -8.733 -2.992 3.066 1.00 61.33 H new ATOM 0 HG23 THR A 37 -10.035 -3.007 4.279 1.00 61.33 H new ATOM 616 N TYR A 38 -6.388 -4.190 3.724 1.00 13.14 N ATOM 617 CA TYR A 38 -6.024 -5.063 2.650 1.00 33.25 C ATOM 618 C TYR A 38 -5.507 -6.408 3.199 1.00 30.41 C ATOM 619 O TYR A 38 -5.874 -7.475 2.702 1.00 53.45 O ATOM 620 CB TYR A 38 -4.955 -4.346 1.828 1.00 2.01 C ATOM 621 CG TYR A 38 -4.610 -4.994 0.552 1.00 61.44 C ATOM 622 CD1 TYR A 38 -5.380 -4.750 -0.550 1.00 15.03 C ATOM 623 CD2 TYR A 38 -3.515 -5.836 0.438 1.00 60.31 C ATOM 624 CE1 TYR A 38 -5.078 -5.333 -1.774 1.00 41.11 C ATOM 625 CE2 TYR A 38 -3.200 -6.425 -0.768 1.00 13.44 C ATOM 626 CZ TYR A 38 -3.983 -6.170 -1.872 1.00 54.25 C ATOM 627 OH TYR A 38 -3.674 -6.759 -3.072 1.00 52.11 O ATOM 0 H TYR A 38 -5.821 -3.343 3.758 1.00 13.14 H new ATOM 0 HA TYR A 38 -6.886 -5.292 2.023 1.00 33.25 H new ATOM 0 HB2 TYR A 38 -5.297 -3.332 1.622 1.00 2.01 H new ATOM 0 HB3 TYR A 38 -4.051 -4.261 2.431 1.00 2.01 H new ATOM 0 HD1 TYR A 38 -6.235 -4.095 -0.468 1.00 15.03 H new ATOM 0 HD2 TYR A 38 -2.901 -6.033 1.304 1.00 60.31 H new ATOM 0 HE1 TYR A 38 -5.692 -5.134 -2.640 1.00 41.11 H new ATOM 0 HE2 TYR A 38 -2.346 -7.081 -0.846 1.00 13.44 H new ATOM 0 HH TYR A 38 -2.874 -7.316 -2.967 1.00 52.11 H new ATOM 637 N GLN A 39 -4.681 -6.338 4.242 1.00 12.40 N ATOM 638 CA GLN A 39 -4.145 -7.529 4.904 1.00 44.21 C ATOM 639 C GLN A 39 -5.261 -8.355 5.527 1.00 3.21 C ATOM 640 O GLN A 39 -5.281 -9.578 5.403 1.00 21.21 O ATOM 641 CB GLN A 39 -3.120 -7.150 5.976 1.00 51.21 C ATOM 642 CG GLN A 39 -1.841 -6.551 5.430 1.00 62.23 C ATOM 643 CD GLN A 39 -1.079 -7.502 4.525 1.00 22.41 C ATOM 644 OE1 GLN A 39 -1.125 -8.721 4.689 1.00 14.20 O ATOM 645 NE2 GLN A 39 -0.366 -6.963 3.577 1.00 14.33 N ATOM 0 H GLN A 39 -4.365 -5.459 4.651 1.00 12.40 H new ATOM 0 HA GLN A 39 -3.647 -8.129 4.142 1.00 44.21 H new ATOM 0 HB2 GLN A 39 -3.577 -6.438 6.663 1.00 51.21 H new ATOM 0 HB3 GLN A 39 -2.873 -8.039 6.556 1.00 51.21 H new ATOM 0 HG2 GLN A 39 -2.079 -5.643 4.875 1.00 62.23 H new ATOM 0 HG3 GLN A 39 -1.200 -6.258 6.261 1.00 62.23 H new ATOM 0 HE21 GLN A 39 -0.348 -5.949 3.466 1.00 14.33 H new ATOM 0 HE22 GLN A 39 0.174 -7.555 2.946 1.00 14.33 H new ATOM 904 N GLU A 55 -8.811 -5.121 -5.181 1.00 53.53 N ATOM 905 CA GLU A 55 -7.539 -4.550 -5.577 1.00 62.04 C ATOM 906 C GLU A 55 -7.668 -3.198 -6.314 1.00 34.43 C ATOM 907 O GLU A 55 -6.949 -2.255 -5.992 1.00 61.05 O ATOM 908 CB GLU A 55 -6.832 -5.571 -6.423 1.00 42.05 C ATOM 909 CG GLU A 55 -5.381 -5.335 -6.592 1.00 11.22 C ATOM 910 CD GLU A 55 -4.729 -6.450 -7.359 1.00 24.52 C ATOM 911 OE1 GLU A 55 -4.751 -7.614 -6.877 1.00 43.43 O ATOM 912 OE2 GLU A 55 -4.227 -6.213 -8.464 1.00 4.34 O ATOM 0 HA GLU A 55 -6.965 -4.318 -4.680 1.00 62.04 H new ATOM 0 HB2 GLU A 55 -6.977 -6.555 -5.978 1.00 42.05 H new ATOM 0 HB3 GLU A 55 -7.300 -5.594 -7.407 1.00 42.05 H new ATOM 0 HG2 GLU A 55 -5.223 -4.391 -7.114 1.00 11.22 H new ATOM 0 HG3 GLU A 55 -4.910 -5.241 -5.614 1.00 11.22 H new ATOM 919 N GLU A 56 -8.593 -3.100 -7.264 1.00 0.32 N ATOM 920 CA GLU A 56 -8.793 -1.849 -7.996 1.00 43.35 C ATOM 921 C GLU A 56 -9.244 -0.727 -7.051 1.00 32.52 C ATOM 922 O GLU A 56 -8.737 0.399 -7.108 1.00 12.13 O ATOM 923 CB GLU A 56 -9.823 -2.013 -9.107 1.00 31.34 C ATOM 924 CG GLU A 56 -9.890 -0.814 -10.030 1.00 61.41 C ATOM 925 CD GLU A 56 -11.007 -0.887 -11.032 1.00 20.01 C ATOM 926 OE1 GLU A 56 -11.253 -1.966 -11.605 1.00 72.32 O ATOM 927 OE2 GLU A 56 -11.675 0.143 -11.258 1.00 12.22 O ATOM 0 H GLU A 56 -9.211 -3.861 -7.545 1.00 0.32 H new ATOM 0 HA GLU A 56 -7.834 -1.583 -8.441 1.00 43.35 H new ATOM 0 HB2 GLU A 56 -9.582 -2.901 -9.691 1.00 31.34 H new ATOM 0 HB3 GLU A 56 -10.805 -2.179 -8.664 1.00 31.34 H new ATOM 0 HG2 GLU A 56 -10.009 0.089 -9.431 1.00 61.41 H new ATOM 0 HG3 GLU A 56 -8.943 -0.721 -10.561 1.00 61.41 H new ATOM 934 N GLU A 57 -10.167 -1.036 -6.156 1.00 4.10 N ATOM 935 CA GLU A 57 -10.676 -0.036 -5.240 1.00 30.22 C ATOM 936 C GLU A 57 -9.634 0.223 -4.137 1.00 32.42 C ATOM 937 O GLU A 57 -9.590 1.313 -3.549 1.00 53.52 O ATOM 938 CB GLU A 57 -12.033 -0.444 -4.670 1.00 10.13 C ATOM 939 CG GLU A 57 -11.949 -1.216 -3.410 1.00 33.24 C ATOM 940 CD GLU A 57 -13.268 -1.732 -2.941 1.00 54.51 C ATOM 941 OE1 GLU A 57 -14.068 -0.964 -2.355 1.00 74.25 O ATOM 942 OE2 GLU A 57 -13.539 -2.918 -3.131 1.00 10.20 O ATOM 0 H GLU A 57 -10.575 -1.964 -6.046 1.00 4.10 H new ATOM 0 HA GLU A 57 -10.841 0.896 -5.780 1.00 30.22 H new ATOM 0 HB2 GLU A 57 -12.627 0.453 -4.496 1.00 10.13 H new ATOM 0 HB3 GLU A 57 -12.564 -1.038 -5.414 1.00 10.13 H new ATOM 0 HG2 GLU A 57 -11.269 -2.056 -3.552 1.00 33.24 H new ATOM 0 HG3 GLU A 57 -11.518 -0.584 -2.634 1.00 33.24 H new ATOM 949 N VAL A 58 -8.781 -0.783 -3.887 1.00 33.45 N ATOM 950 CA VAL A 58 -7.681 -0.656 -2.987 1.00 23.42 C ATOM 951 C VAL A 58 -6.744 0.395 -3.547 1.00 34.31 C ATOM 952 O VAL A 58 -6.471 1.414 -2.907 1.00 72.34 O ATOM 953 CB VAL A 58 -6.914 -2.009 -2.852 1.00 20.13 C ATOM 954 CG1 VAL A 58 -5.587 -1.817 -2.189 1.00 64.05 C ATOM 955 CG2 VAL A 58 -7.720 -3.039 -2.084 1.00 45.31 C ATOM 0 H VAL A 58 -8.857 -1.704 -4.319 1.00 33.45 H new ATOM 0 HA VAL A 58 -8.047 -0.373 -2.000 1.00 23.42 H new ATOM 0 HB VAL A 58 -6.755 -2.380 -3.865 1.00 20.13 H new ATOM 0 HG11 VAL A 58 -5.078 -2.777 -2.110 1.00 64.05 H new ATOM 0 HG12 VAL A 58 -4.980 -1.132 -2.781 1.00 64.05 H new ATOM 0 HG13 VAL A 58 -5.735 -1.401 -1.192 1.00 64.05 H new ATOM 0 HG21 VAL A 58 -7.151 -3.966 -2.012 1.00 45.31 H new ATOM 0 HG22 VAL A 58 -7.930 -2.664 -1.082 1.00 45.31 H new ATOM 0 HG23 VAL A 58 -8.659 -3.229 -2.605 1.00 45.31 H new ATOM 965 N PHE A 59 -6.348 0.171 -4.795 1.00 51.41 N ATOM 966 CA PHE A 59 -5.438 1.030 -5.512 1.00 72.05 C ATOM 967 C PHE A 59 -6.003 2.438 -5.632 1.00 41.01 C ATOM 968 O PHE A 59 -5.262 3.388 -5.638 1.00 12.40 O ATOM 969 CB PHE A 59 -5.123 0.432 -6.895 1.00 24.13 C ATOM 970 CG PHE A 59 -4.074 1.179 -7.680 1.00 24.40 C ATOM 971 CD1 PHE A 59 -2.730 1.038 -7.369 1.00 54.10 C ATOM 972 CD2 PHE A 59 -4.429 2.012 -8.730 1.00 71.04 C ATOM 973 CE1 PHE A 59 -1.762 1.714 -8.085 1.00 14.53 C ATOM 974 CE2 PHE A 59 -3.465 2.691 -9.450 1.00 73.52 C ATOM 975 CZ PHE A 59 -2.129 2.542 -9.127 1.00 61.12 C ATOM 0 H PHE A 59 -6.662 -0.632 -5.340 1.00 51.41 H new ATOM 0 HA PHE A 59 -4.506 1.099 -4.951 1.00 72.05 H new ATOM 0 HB2 PHE A 59 -4.794 -0.599 -6.764 1.00 24.13 H new ATOM 0 HB3 PHE A 59 -6.042 0.401 -7.480 1.00 24.13 H new ATOM 0 HD1 PHE A 59 -2.436 0.391 -6.556 1.00 54.10 H new ATOM 0 HD2 PHE A 59 -5.471 2.131 -8.988 1.00 71.04 H new ATOM 0 HE1 PHE A 59 -0.719 1.595 -7.830 1.00 14.53 H new ATOM 0 HE2 PHE A 59 -3.755 3.338 -10.265 1.00 73.52 H new ATOM 0 HZ PHE A 59 -1.374 3.072 -9.689 1.00 61.12 H new ATOM 985 N THR A 60 -7.323 2.554 -5.679 1.00 12.15 N ATOM 986 CA THR A 60 -7.983 3.789 -5.746 1.00 41.41 C ATOM 987 C THR A 60 -7.644 4.690 -4.540 1.00 62.42 C ATOM 988 O THR A 60 -7.217 5.835 -4.720 1.00 71.22 O ATOM 989 CB THR A 60 -9.478 3.528 -5.807 1.00 43.33 C ATOM 990 OG1 THR A 60 -9.807 2.843 -7.037 1.00 23.04 O ATOM 991 CG2 THR A 60 -10.224 4.801 -5.706 1.00 12.00 C ATOM 0 H THR A 60 -7.954 1.753 -5.670 1.00 12.15 H new ATOM 0 HA THR A 60 -7.651 4.319 -6.638 1.00 41.41 H new ATOM 0 HB THR A 60 -9.764 2.895 -4.967 1.00 43.33 H new ATOM 0 HG1 THR A 60 -9.252 2.040 -7.123 1.00 23.04 H new ATOM 0 HG21 THR A 60 -11.294 4.600 -5.751 1.00 12.00 H new ATOM 0 HG22 THR A 60 -9.986 5.288 -4.761 1.00 12.00 H new ATOM 0 HG23 THR A 60 -9.942 5.454 -6.532 1.00 12.00 H new ATOM 999 N GLU A 61 -7.781 4.162 -3.325 1.00 44.33 N ATOM 1000 CA GLU A 61 -7.530 4.968 -2.158 1.00 42.43 C ATOM 1001 C GLU A 61 -6.059 5.209 -1.980 1.00 62.30 C ATOM 1002 O GLU A 61 -5.662 6.249 -1.493 1.00 21.54 O ATOM 1003 CB GLU A 61 -8.149 4.365 -0.916 1.00 10.41 C ATOM 1004 CG GLU A 61 -9.635 4.588 -0.833 1.00 72.34 C ATOM 1005 CD GLU A 61 -10.260 3.952 0.370 1.00 73.44 C ATOM 1006 OE1 GLU A 61 -9.768 4.148 1.486 1.00 61.42 O ATOM 1007 OE2 GLU A 61 -11.288 3.268 0.221 1.00 45.42 O ATOM 0 H GLU A 61 -8.059 3.199 -3.136 1.00 44.33 H new ATOM 0 HA GLU A 61 -8.010 5.934 -2.314 1.00 42.43 H new ATOM 0 HB2 GLU A 61 -7.946 3.294 -0.899 1.00 10.41 H new ATOM 0 HB3 GLU A 61 -7.673 4.794 -0.034 1.00 10.41 H new ATOM 0 HG2 GLU A 61 -9.835 5.659 -0.815 1.00 72.34 H new ATOM 0 HG3 GLU A 61 -10.106 4.191 -1.732 1.00 72.34 H new ATOM 1014 N VAL A 62 -5.262 4.259 -2.419 1.00 73.22 N ATOM 1015 CA VAL A 62 -3.821 4.376 -2.360 1.00 50.32 C ATOM 1016 C VAL A 62 -3.337 5.442 -3.365 1.00 42.23 C ATOM 1017 O VAL A 62 -2.468 6.248 -3.057 1.00 22.11 O ATOM 1018 CB VAL A 62 -3.140 3.018 -2.634 1.00 25.23 C ATOM 1019 CG1 VAL A 62 -1.655 3.124 -2.456 1.00 61.41 C ATOM 1020 CG2 VAL A 62 -3.685 1.961 -1.701 1.00 5.03 C ATOM 0 H VAL A 62 -5.594 3.385 -2.826 1.00 73.22 H new ATOM 0 HA VAL A 62 -3.542 4.688 -1.354 1.00 50.32 H new ATOM 0 HB VAL A 62 -3.353 2.735 -3.665 1.00 25.23 H new ATOM 0 HG11 VAL A 62 -1.195 2.156 -2.654 1.00 61.41 H new ATOM 0 HG12 VAL A 62 -1.257 3.864 -3.151 1.00 61.41 H new ATOM 0 HG13 VAL A 62 -1.432 3.430 -1.434 1.00 61.41 H new ATOM 0 HG21 VAL A 62 -3.196 1.008 -1.905 1.00 5.03 H new ATOM 0 HG22 VAL A 62 -3.493 2.253 -0.669 1.00 5.03 H new ATOM 0 HG23 VAL A 62 -4.759 1.858 -1.856 1.00 5.03 H new ATOM 1030 N ALA A 63 -3.933 5.455 -4.544 1.00 61.21 N ATOM 1031 CA ALA A 63 -3.631 6.466 -5.553 1.00 20.41 C ATOM 1032 C ALA A 63 -4.014 7.827 -5.028 1.00 10.11 C ATOM 1033 O ALA A 63 -3.239 8.749 -5.078 1.00 54.21 O ATOM 1034 CB ALA A 63 -4.349 6.176 -6.863 1.00 62.03 C ATOM 0 H ALA A 63 -4.635 4.773 -4.832 1.00 61.21 H new ATOM 0 HA ALA A 63 -2.561 6.444 -5.758 1.00 20.41 H new ATOM 0 HB1 ALA A 63 -4.102 6.948 -7.592 1.00 62.03 H new ATOM 0 HB2 ALA A 63 -4.034 5.204 -7.243 1.00 62.03 H new ATOM 0 HB3 ALA A 63 -5.426 6.168 -6.694 1.00 62.03 H new ATOM 1040 N ASN A 64 -5.213 7.904 -4.492 1.00 21.44 N ATOM 1041 CA ASN A 64 -5.771 9.100 -3.844 1.00 22.12 C ATOM 1042 C ASN A 64 -4.902 9.592 -2.680 1.00 31.12 C ATOM 1043 O ASN A 64 -4.764 10.800 -2.449 1.00 62.21 O ATOM 1044 CB ASN A 64 -7.182 8.750 -3.384 1.00 10.24 C ATOM 1045 CG ASN A 64 -7.705 9.505 -2.180 1.00 4.01 C ATOM 1046 OD1 ASN A 64 -8.274 10.589 -2.298 1.00 2.13 O ATOM 1047 ND2 ASN A 64 -7.557 8.910 -1.025 1.00 62.44 N ATOM 0 H ASN A 64 -5.859 7.115 -4.489 1.00 21.44 H new ATOM 0 HA ASN A 64 -5.795 9.927 -4.554 1.00 22.12 H new ATOM 0 HB2 ASN A 64 -7.865 8.920 -4.217 1.00 10.24 H new ATOM 0 HB3 ASN A 64 -7.213 7.684 -3.159 1.00 10.24 H new ATOM 0 HD21 ASN A 64 -7.920 9.345 -0.177 1.00 62.44 H new ATOM 0 HD22 ASN A 64 -7.078 8.011 -0.972 1.00 62.44 H new ATOM 1054 N LEU A 65 -4.306 8.653 -1.992 1.00 23.54 N ATOM 1055 CA LEU A 65 -3.463 8.884 -0.863 1.00 34.24 C ATOM 1056 C LEU A 65 -2.211 9.622 -1.354 1.00 25.30 C ATOM 1057 O LEU A 65 -1.839 10.665 -0.822 1.00 74.22 O ATOM 1058 CB LEU A 65 -3.065 7.504 -0.353 1.00 51.23 C ATOM 1059 CG LEU A 65 -2.612 7.283 1.058 1.00 1.55 C ATOM 1060 CD1 LEU A 65 -1.366 8.001 1.343 1.00 4.13 C ATOM 1061 CD2 LEU A 65 -3.658 7.578 2.075 1.00 72.42 C ATOM 0 H LEU A 65 -4.404 7.664 -2.219 1.00 23.54 H new ATOM 0 HA LEU A 65 -3.951 9.471 -0.085 1.00 34.24 H new ATOM 0 HB2 LEU A 65 -3.921 6.849 -0.515 1.00 51.23 H new ATOM 0 HB3 LEU A 65 -2.264 7.148 -1.001 1.00 51.23 H new ATOM 0 HG LEU A 65 -2.414 6.214 1.140 1.00 1.55 H new ATOM 0 HD11 LEU A 65 -1.068 7.817 2.375 1.00 4.13 H new ATOM 0 HD12 LEU A 65 -0.582 7.651 0.671 1.00 4.13 H new ATOM 0 HD13 LEU A 65 -1.520 9.070 1.195 1.00 4.13 H new ATOM 0 HD21 LEU A 65 -3.258 7.395 3.072 1.00 72.42 H new ATOM 0 HD22 LEU A 65 -3.962 8.621 1.992 1.00 72.42 H new ATOM 0 HD23 LEU A 65 -4.521 6.934 1.907 1.00 72.42 H new ATOM 1073 N PHE A 66 -1.593 9.084 -2.397 1.00 20.42 N ATOM 1074 CA PHE A 66 -0.348 9.629 -2.915 1.00 20.45 C ATOM 1075 C PHE A 66 -0.583 10.383 -4.223 1.00 52.14 C ATOM 1076 O PHE A 66 0.259 10.336 -5.124 1.00 4.22 O ATOM 1077 CB PHE A 66 0.652 8.493 -3.200 1.00 33.15 C ATOM 1078 CG PHE A 66 0.871 7.522 -2.081 1.00 45.14 C ATOM 1079 CD1 PHE A 66 1.424 7.928 -0.891 1.00 74.12 C ATOM 1080 CD2 PHE A 66 0.536 6.194 -2.236 1.00 70.23 C ATOM 1081 CE1 PHE A 66 1.635 7.029 0.126 1.00 40.53 C ATOM 1082 CE2 PHE A 66 0.744 5.294 -1.222 1.00 61.45 C ATOM 1083 CZ PHE A 66 1.291 5.710 -0.041 1.00 43.43 C ATOM 0 H PHE A 66 -1.937 8.267 -2.902 1.00 20.42 H new ATOM 0 HA PHE A 66 0.048 10.310 -2.162 1.00 20.45 H new ATOM 0 HB2 PHE A 66 0.306 7.940 -4.073 1.00 33.15 H new ATOM 0 HB3 PHE A 66 1.612 8.937 -3.464 1.00 33.15 H new ATOM 0 HD1 PHE A 66 1.696 8.964 -0.754 1.00 74.12 H new ATOM 0 HD2 PHE A 66 0.104 5.858 -3.167 1.00 70.23 H new ATOM 0 HE1 PHE A 66 2.071 7.360 1.057 1.00 40.53 H new ATOM 0 HE2 PHE A 66 0.475 4.257 -1.357 1.00 61.45 H new ATOM 0 HZ PHE A 66 1.452 5.003 0.759 1.00 43.43 H new ATOM 1093 N ARG A 67 -1.685 11.112 -4.317 1.00 43.44 N ATOM 1094 CA ARG A 67 -1.968 11.891 -5.510 1.00 54.23 C ATOM 1095 C ARG A 67 -0.946 12.989 -5.720 1.00 52.40 C ATOM 1096 O ARG A 67 -0.920 13.998 -5.005 1.00 35.31 O ATOM 1097 CB ARG A 67 -3.405 12.416 -5.531 1.00 2.21 C ATOM 1098 CG ARG A 67 -4.407 11.387 -5.981 1.00 62.53 C ATOM 1099 CD ARG A 67 -4.202 11.024 -7.445 1.00 11.24 C ATOM 1100 NE ARG A 67 -5.197 10.061 -7.942 1.00 34.51 N ATOM 1101 CZ ARG A 67 -5.297 9.668 -9.222 1.00 20.44 C ATOM 1102 NH1 ARG A 67 -4.486 10.173 -10.135 1.00 14.53 N ATOM 1103 NH2 ARG A 67 -6.217 8.781 -9.580 1.00 23.34 N ATOM 0 H ARG A 67 -2.393 11.180 -3.586 1.00 43.44 H new ATOM 0 HA ARG A 67 -1.879 11.215 -6.360 1.00 54.23 H new ATOM 0 HB2 ARG A 67 -3.673 12.762 -4.533 1.00 2.21 H new ATOM 0 HB3 ARG A 67 -3.459 13.280 -6.193 1.00 2.21 H new ATOM 0 HG2 ARG A 67 -4.315 10.492 -5.365 1.00 62.53 H new ATOM 0 HG3 ARG A 67 -5.417 11.771 -5.837 1.00 62.53 H new ATOM 0 HD2 ARG A 67 -4.248 11.930 -8.049 1.00 11.24 H new ATOM 0 HD3 ARG A 67 -3.204 10.606 -7.574 1.00 11.24 H new ATOM 0 HE ARG A 67 -5.854 9.666 -7.270 1.00 34.51 H new ATOM 0 HH11 ARG A 67 -3.783 10.862 -9.868 1.00 14.53 H new ATOM 0 HH12 ARG A 67 -4.563 9.874 -11.107 1.00 14.53 H new ATOM 0 HH21 ARG A 67 -6.852 8.395 -8.882 1.00 23.34 H new ATOM 0 HH22 ARG A 67 -6.289 8.486 -10.554 1.00 23.34 H new ATOM 1117 N GLY A 68 -0.095 12.759 -6.681 1.00 23.31 N ATOM 1118 CA GLY A 68 0.983 13.648 -6.976 1.00 15.21 C ATOM 1119 C GLY A 68 2.293 12.897 -7.007 1.00 20.25 C ATOM 1120 O GLY A 68 3.249 13.316 -7.650 1.00 61.30 O ATOM 0 H GLY A 68 -0.135 11.938 -7.286 1.00 23.31 H new ATOM 0 HA2 GLY A 68 0.811 14.131 -7.938 1.00 15.21 H new ATOM 0 HA3 GLY A 68 1.027 14.438 -6.226 1.00 15.21 H new ATOM 1124 N GLN A 69 2.332 11.777 -6.316 1.00 64.45 N ATOM 1125 CA GLN A 69 3.516 10.960 -6.235 1.00 21.34 C ATOM 1126 C GLN A 69 3.351 9.758 -7.146 1.00 70.13 C ATOM 1127 O GLN A 69 2.986 8.667 -6.693 1.00 62.21 O ATOM 1128 CB GLN A 69 3.680 10.454 -4.823 1.00 41.13 C ATOM 1129 CG GLN A 69 3.464 11.504 -3.761 1.00 12.14 C ATOM 1130 CD GLN A 69 4.492 12.603 -3.765 1.00 74.34 C ATOM 1131 OE1 GLN A 69 5.650 12.400 -4.124 1.00 22.03 O ATOM 1132 NE2 GLN A 69 4.079 13.774 -3.373 1.00 33.14 N ATOM 0 H GLN A 69 1.537 11.409 -5.793 1.00 64.45 H new ATOM 0 HA GLN A 69 4.383 11.551 -6.529 1.00 21.34 H new ATOM 0 HB2 GLN A 69 2.978 9.637 -4.658 1.00 41.13 H new ATOM 0 HB3 GLN A 69 4.682 10.041 -4.711 1.00 41.13 H new ATOM 0 HG2 GLN A 69 2.476 11.945 -3.897 1.00 12.14 H new ATOM 0 HG3 GLN A 69 3.467 11.022 -2.783 1.00 12.14 H new ATOM 0 HE21 GLN A 69 3.110 13.902 -3.083 1.00 33.14 H new ATOM 0 HE22 GLN A 69 4.725 14.563 -3.356 1.00 33.14 H new ATOM 1141 N GLU A 70 3.585 9.943 -8.417 1.00 61.02 N ATOM 1142 CA GLU A 70 3.375 8.874 -9.374 1.00 12.54 C ATOM 1143 C GLU A 70 4.406 7.764 -9.235 1.00 42.12 C ATOM 1144 O GLU A 70 4.169 6.623 -9.665 1.00 25.33 O ATOM 1145 CB GLU A 70 3.299 9.401 -10.787 1.00 70.51 C ATOM 1146 CG GLU A 70 2.157 10.373 -11.001 1.00 2.11 C ATOM 1147 CD GLU A 70 2.029 10.796 -12.430 1.00 2.14 C ATOM 1148 OE1 GLU A 70 2.747 11.725 -12.850 1.00 74.34 O ATOM 1149 OE2 GLU A 70 1.203 10.219 -13.159 1.00 30.42 O ATOM 0 H GLU A 70 3.920 10.818 -8.820 1.00 61.02 H new ATOM 0 HA GLU A 70 2.408 8.427 -9.143 1.00 12.54 H new ATOM 0 HB2 GLU A 70 4.239 9.894 -11.035 1.00 70.51 H new ATOM 0 HB3 GLU A 70 3.188 8.563 -11.475 1.00 70.51 H new ATOM 0 HG2 GLU A 70 1.225 9.911 -10.677 1.00 2.11 H new ATOM 0 HG3 GLU A 70 2.311 11.253 -10.377 1.00 2.11 H new ATOM 1156 N ASP A 71 5.539 8.085 -8.614 1.00 70.20 N ATOM 1157 CA ASP A 71 6.569 7.088 -8.339 1.00 43.32 C ATOM 1158 C ASP A 71 6.036 6.048 -7.422 1.00 4.05 C ATOM 1159 O ASP A 71 6.120 4.868 -7.703 1.00 32.12 O ATOM 1160 CB ASP A 71 7.815 7.688 -7.715 1.00 24.13 C ATOM 1161 CG ASP A 71 8.690 8.424 -8.682 1.00 51.10 C ATOM 1162 OD1 ASP A 71 8.399 9.596 -9.004 1.00 34.31 O ATOM 1163 OD2 ASP A 71 9.708 7.847 -9.120 1.00 33.23 O ATOM 0 H ASP A 71 5.766 9.026 -8.293 1.00 70.20 H new ATOM 0 HA ASP A 71 6.847 6.655 -9.300 1.00 43.32 H new ATOM 0 HB2 ASP A 71 7.517 8.371 -6.919 1.00 24.13 H new ATOM 0 HB3 ASP A 71 8.395 6.891 -7.250 1.00 24.13 H new ATOM 1168 N LEU A 72 5.407 6.501 -6.363 1.00 3.45 N ATOM 1169 CA LEU A 72 4.873 5.627 -5.342 1.00 43.05 C ATOM 1170 C LEU A 72 3.759 4.766 -5.898 1.00 12.55 C ATOM 1171 O LEU A 72 3.673 3.586 -5.602 1.00 52.10 O ATOM 1172 CB LEU A 72 4.376 6.450 -4.159 1.00 71.30 C ATOM 1173 CG LEU A 72 5.436 7.289 -3.445 1.00 70.44 C ATOM 1174 CD1 LEU A 72 4.803 8.114 -2.352 1.00 0.31 C ATOM 1175 CD2 LEU A 72 6.538 6.405 -2.876 1.00 1.33 C ATOM 0 H LEU A 72 5.250 7.493 -6.183 1.00 3.45 H new ATOM 0 HA LEU A 72 5.669 4.966 -5.000 1.00 43.05 H new ATOM 0 HB2 LEU A 72 3.587 7.116 -4.509 1.00 71.30 H new ATOM 0 HB3 LEU A 72 3.924 5.774 -3.433 1.00 71.30 H new ATOM 0 HG LEU A 72 5.886 7.962 -4.175 1.00 70.44 H new ATOM 0 HD11 LEU A 72 5.570 8.706 -1.853 1.00 0.31 H new ATOM 0 HD12 LEU A 72 4.056 8.779 -2.785 1.00 0.31 H new ATOM 0 HD13 LEU A 72 4.326 7.454 -1.628 1.00 0.31 H new ATOM 0 HD21 LEU A 72 7.279 7.026 -2.373 1.00 1.33 H new ATOM 0 HD22 LEU A 72 6.109 5.703 -2.162 1.00 1.33 H new ATOM 0 HD23 LEU A 72 7.016 5.853 -3.685 1.00 1.33 H new ATOM 1187 N LEU A 73 2.969 5.345 -6.770 1.00 33.21 N ATOM 1188 CA LEU A 73 1.837 4.649 -7.360 1.00 44.32 C ATOM 1189 C LEU A 73 2.343 3.538 -8.269 1.00 5.43 C ATOM 1190 O LEU A 73 1.794 2.433 -8.307 1.00 53.23 O ATOM 1191 CB LEU A 73 0.961 5.645 -8.123 1.00 15.25 C ATOM 1192 CG LEU A 73 0.497 6.851 -7.293 1.00 74.41 C ATOM 1193 CD1 LEU A 73 -0.388 7.788 -8.081 1.00 0.50 C ATOM 1194 CD2 LEU A 73 -0.189 6.403 -6.024 1.00 63.32 C ATOM 0 H LEU A 73 3.086 6.305 -7.093 1.00 33.21 H new ATOM 0 HA LEU A 73 1.227 4.196 -6.578 1.00 44.32 H new ATOM 0 HB2 LEU A 73 1.515 6.007 -8.989 1.00 15.25 H new ATOM 0 HB3 LEU A 73 0.083 5.122 -8.502 1.00 15.25 H new ATOM 0 HG LEU A 73 1.392 7.411 -7.024 1.00 74.41 H new ATOM 0 HD11 LEU A 73 -0.688 8.623 -7.448 1.00 0.50 H new ATOM 0 HD12 LEU A 73 0.160 8.165 -8.945 1.00 0.50 H new ATOM 0 HD13 LEU A 73 -1.275 7.252 -8.420 1.00 0.50 H new ATOM 0 HD21 LEU A 73 -0.508 7.276 -5.455 1.00 63.32 H new ATOM 0 HD22 LEU A 73 -1.059 5.796 -6.275 1.00 63.32 H new ATOM 0 HD23 LEU A 73 0.504 5.812 -5.425 1.00 63.32 H new ATOM 1206 N SER A 74 3.426 3.826 -8.951 1.00 54.21 N ATOM 1207 CA SER A 74 4.065 2.863 -9.798 1.00 5.12 C ATOM 1208 C SER A 74 4.756 1.777 -8.956 1.00 1.32 C ATOM 1209 O SER A 74 4.567 0.596 -9.203 1.00 24.05 O ATOM 1210 CB SER A 74 5.055 3.569 -10.719 1.00 30.43 C ATOM 1211 OG SER A 74 4.376 4.511 -11.550 1.00 12.22 O ATOM 0 H SER A 74 3.885 4.737 -8.930 1.00 54.21 H new ATOM 0 HA SER A 74 3.314 2.369 -10.414 1.00 5.12 H new ATOM 0 HB2 SER A 74 5.814 4.079 -10.125 1.00 30.43 H new ATOM 0 HB3 SER A 74 5.573 2.836 -11.337 1.00 30.43 H new ATOM 0 HG SER A 74 4.213 5.335 -11.045 1.00 12.22 H new ATOM 1217 N GLU A 75 5.506 2.191 -7.934 1.00 42.14 N ATOM 1218 CA GLU A 75 6.246 1.261 -7.075 1.00 34.43 C ATOM 1219 C GLU A 75 5.319 0.337 -6.280 1.00 62.21 C ATOM 1220 O GLU A 75 5.667 -0.816 -6.007 1.00 21.41 O ATOM 1221 CB GLU A 75 7.224 2.013 -6.171 1.00 70.11 C ATOM 1222 CG GLU A 75 8.304 2.736 -6.963 1.00 61.22 C ATOM 1223 CD GLU A 75 9.283 3.498 -6.111 1.00 75.43 C ATOM 1224 OE1 GLU A 75 10.182 2.867 -5.523 1.00 13.23 O ATOM 1225 OE2 GLU A 75 9.239 4.749 -6.093 1.00 10.25 O ATOM 0 H GLU A 75 5.618 3.172 -7.678 1.00 42.14 H new ATOM 0 HA GLU A 75 6.831 0.612 -7.727 1.00 34.43 H new ATOM 0 HB2 GLU A 75 6.675 2.735 -5.567 1.00 70.11 H new ATOM 0 HB3 GLU A 75 7.691 1.310 -5.481 1.00 70.11 H new ATOM 0 HG2 GLU A 75 8.850 2.007 -7.562 1.00 61.22 H new ATOM 0 HG3 GLU A 75 7.828 3.428 -7.658 1.00 61.22 H new ATOM 1232 N PHE A 76 4.140 0.830 -5.941 1.00 64.22 N ATOM 1233 CA PHE A 76 3.115 0.028 -5.284 1.00 4.51 C ATOM 1234 C PHE A 76 2.684 -1.081 -6.238 1.00 22.22 C ATOM 1235 O PHE A 76 2.634 -2.247 -5.862 1.00 31.52 O ATOM 1236 CB PHE A 76 1.938 0.934 -4.884 1.00 11.23 C ATOM 1237 CG PHE A 76 0.892 0.297 -4.013 1.00 20.12 C ATOM 1238 CD1 PHE A 76 1.234 -0.279 -2.796 1.00 10.33 C ATOM 1239 CD2 PHE A 76 -0.437 0.314 -4.389 1.00 64.15 C ATOM 1240 CE1 PHE A 76 0.269 -0.830 -1.976 1.00 71.14 C ATOM 1241 CE2 PHE A 76 -1.411 -0.242 -3.574 1.00 63.52 C ATOM 1242 CZ PHE A 76 -1.054 -0.814 -2.362 1.00 62.12 C ATOM 0 H PHE A 76 3.864 1.797 -6.112 1.00 64.22 H new ATOM 0 HA PHE A 76 3.500 -0.432 -4.373 1.00 4.51 H new ATOM 0 HB2 PHE A 76 2.335 1.806 -4.365 1.00 11.23 H new ATOM 0 HB3 PHE A 76 1.457 1.296 -5.793 1.00 11.23 H new ATOM 0 HD1 PHE A 76 2.269 -0.296 -2.487 1.00 10.33 H new ATOM 0 HD2 PHE A 76 -0.721 0.765 -5.328 1.00 64.15 H new ATOM 0 HE1 PHE A 76 0.551 -1.273 -1.032 1.00 71.14 H new ATOM 0 HE2 PHE A 76 -2.446 -0.230 -3.882 1.00 63.52 H new ATOM 0 HZ PHE A 76 -1.810 -1.245 -1.723 1.00 62.12 H new