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 28:sc= 0.122 USER MOD Single : A 13 TYR OH : rot 23:sc= -0.106 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.17 (180deg=0.935) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.00712 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.44! USER MOD Single : A 30 SER OG : rot 74:sc= 1.26 USER MOD Single : A 36 HIS : no HE2:sc= 0.752 K(o=0.75,f=-2.6!) USER MOD Single : A 37 THR OG1 : rot 88:sc= 1.08 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 64 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.303 K(o=-0.3,f=-4.4!) USER MOD Single : A 74 SER OG : rot 68:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.320 0.861 1.490 1.00 22.45 N ATOM 159 CA SER A 12 12.784 2.055 0.817 1.00 50.12 C ATOM 160 C SER A 12 11.586 2.794 0.211 1.00 63.54 C ATOM 161 O SER A 12 11.491 4.015 0.291 1.00 43.01 O ATOM 162 CB SER A 12 13.810 1.682 -0.248 1.00 51.15 C ATOM 163 OG SER A 12 14.899 0.952 0.331 1.00 72.44 O ATOM 0 HA SER A 12 13.271 2.721 1.529 1.00 50.12 H new ATOM 0 HB2 SER A 12 13.335 1.081 -1.023 1.00 51.15 H new ATOM 0 HB3 SER A 12 14.186 2.585 -0.730 1.00 51.15 H new ATOM 0 HG SER A 12 14.585 0.473 1.126 1.00 72.44 H new ATOM 169 N TYR A 13 10.658 2.027 -0.350 1.00 73.32 N ATOM 170 CA TYR A 13 9.405 2.559 -0.850 1.00 23.32 C ATOM 171 C TYR A 13 8.620 3.205 0.293 1.00 53.22 C ATOM 172 O TYR A 13 8.159 4.337 0.176 1.00 64.55 O ATOM 173 CB TYR A 13 8.589 1.445 -1.546 1.00 34.43 C ATOM 174 CG TYR A 13 7.162 1.821 -1.888 1.00 33.12 C ATOM 175 CD1 TYR A 13 6.884 2.915 -2.682 1.00 45.34 C ATOM 176 CD2 TYR A 13 6.091 1.083 -1.389 1.00 4.02 C ATOM 177 CE1 TYR A 13 5.589 3.266 -2.974 1.00 74.31 C ATOM 178 CE2 TYR A 13 4.786 1.436 -1.680 1.00 51.34 C ATOM 179 CZ TYR A 13 4.547 2.532 -2.476 1.00 31.45 C ATOM 180 OH TYR A 13 3.260 2.907 -2.768 1.00 55.34 O ATOM 0 H TYR A 13 10.757 1.019 -0.469 1.00 73.32 H new ATOM 0 HA TYR A 13 9.610 3.329 -1.594 1.00 23.32 H new ATOM 0 HB2 TYR A 13 9.103 1.156 -2.463 1.00 34.43 H new ATOM 0 HB3 TYR A 13 8.574 0.568 -0.899 1.00 34.43 H new ATOM 0 HD1 TYR A 13 7.697 3.504 -3.080 1.00 45.34 H new ATOM 0 HD2 TYR A 13 6.283 0.222 -0.766 1.00 4.02 H new ATOM 0 HE1 TYR A 13 5.392 4.125 -3.599 1.00 74.31 H new ATOM 0 HE2 TYR A 13 3.963 0.857 -1.287 1.00 51.34 H new ATOM 0 HH TYR A 13 3.254 3.443 -3.589 1.00 55.34 H new ATOM 190 N VAL A 14 8.514 2.494 1.401 1.00 4.33 N ATOM 191 CA VAL A 14 7.820 2.994 2.574 1.00 75.04 C ATOM 192 C VAL A 14 8.500 4.254 3.137 1.00 11.21 C ATOM 193 O VAL A 14 7.831 5.231 3.433 1.00 34.54 O ATOM 194 CB VAL A 14 7.672 1.917 3.682 1.00 54.32 C ATOM 195 CG1 VAL A 14 7.028 2.527 4.910 1.00 31.31 C ATOM 196 CG2 VAL A 14 6.823 0.756 3.181 1.00 52.32 C ATOM 0 H VAL A 14 8.904 1.558 1.513 1.00 4.33 H new ATOM 0 HA VAL A 14 6.816 3.261 2.243 1.00 75.04 H new ATOM 0 HB VAL A 14 8.663 1.544 3.941 1.00 54.32 H new ATOM 0 HG11 VAL A 14 6.927 1.766 5.684 1.00 31.31 H new ATOM 0 HG12 VAL A 14 7.651 3.341 5.281 1.00 31.31 H new ATOM 0 HG13 VAL A 14 6.042 2.913 4.650 1.00 31.31 H new ATOM 0 HG21 VAL A 14 6.728 0.008 3.969 1.00 52.32 H new ATOM 0 HG22 VAL A 14 5.834 1.121 2.906 1.00 52.32 H new ATOM 0 HG23 VAL A 14 7.299 0.306 2.310 1.00 52.32 H new ATOM 206 N ASN A 15 9.823 4.224 3.267 1.00 51.13 N ATOM 207 CA ASN A 15 10.606 5.340 3.733 1.00 14.10 C ATOM 208 C ASN A 15 10.395 6.555 2.839 1.00 33.32 C ATOM 209 O ASN A 15 10.293 7.683 3.307 1.00 63.41 O ATOM 210 CB ASN A 15 12.047 4.926 3.680 1.00 4.13 C ATOM 211 CG ASN A 15 13.000 5.991 4.094 1.00 53.40 C ATOM 212 OD1 ASN A 15 12.718 6.828 4.958 1.00 35.12 O ATOM 213 ND2 ASN A 15 14.119 5.983 3.476 1.00 33.13 N ATOM 0 H ASN A 15 10.383 3.401 3.044 1.00 51.13 H new ATOM 0 HA ASN A 15 10.308 5.611 4.746 1.00 14.10 H new ATOM 0 HB2 ASN A 15 12.188 4.057 4.323 1.00 4.13 H new ATOM 0 HB3 ASN A 15 12.287 4.613 2.664 1.00 4.13 H new ATOM 0 HD21 ASN A 15 14.824 6.688 3.689 1.00 33.13 H new ATOM 0 HD22 ASN A 15 14.307 5.271 2.770 1.00 33.13 H new ATOM 220 N LYS A 16 10.321 6.298 1.564 1.00 33.43 N ATOM 221 CA LYS A 16 10.079 7.314 0.573 1.00 44.21 C ATOM 222 C LYS A 16 8.706 7.956 0.811 1.00 30.25 C ATOM 223 O LYS A 16 8.568 9.180 0.754 1.00 65.35 O ATOM 224 CB LYS A 16 10.163 6.676 -0.795 1.00 53.33 C ATOM 225 CG LYS A 16 9.980 7.596 -1.949 1.00 20.50 C ATOM 226 CD LYS A 16 10.131 6.807 -3.215 1.00 44.11 C ATOM 227 CE LYS A 16 9.950 7.663 -4.437 1.00 15.24 C ATOM 228 NZ LYS A 16 10.189 6.886 -5.657 1.00 20.33 N ATOM 0 H LYS A 16 10.429 5.361 1.175 1.00 33.43 H new ATOM 0 HA LYS A 16 10.827 8.104 0.641 1.00 44.21 H new ATOM 0 HB2 LYS A 16 11.135 6.192 -0.891 1.00 53.33 H new ATOM 0 HB3 LYS A 16 9.409 5.891 -0.856 1.00 53.33 H new ATOM 0 HG2 LYS A 16 8.996 8.063 -1.909 1.00 20.50 H new ATOM 0 HG3 LYS A 16 10.716 8.399 -1.913 1.00 20.50 H new ATOM 0 HD2 LYS A 16 11.118 6.345 -3.239 1.00 44.11 H new ATOM 0 HD3 LYS A 16 9.400 5.998 -3.227 1.00 44.11 H new ATOM 0 HE2 LYS A 16 8.940 8.072 -4.453 1.00 15.24 H new ATOM 0 HE3 LYS A 16 10.636 8.509 -4.399 1.00 15.24 H new ATOM 0 HZ1 LYS A 16 10.159 7.518 -6.482 1.00 20.33 H new ATOM 0 HZ2 LYS A 16 11.123 6.432 -5.602 1.00 20.33 H new ATOM 0 HZ3 LYS A 16 9.455 6.156 -5.753 1.00 20.33 H new ATOM 242 N ILE A 17 7.710 7.121 1.111 1.00 52.15 N ATOM 243 CA ILE A 17 6.384 7.578 1.460 1.00 31.53 C ATOM 244 C ILE A 17 6.470 8.434 2.720 1.00 60.25 C ATOM 245 O ILE A 17 5.910 9.536 2.771 1.00 32.54 O ATOM 246 CB ILE A 17 5.437 6.381 1.738 1.00 21.14 C ATOM 247 CG1 ILE A 17 5.258 5.505 0.497 1.00 31.25 C ATOM 248 CG2 ILE A 17 4.100 6.866 2.249 1.00 41.04 C ATOM 249 CD1 ILE A 17 4.410 4.273 0.743 1.00 11.13 C ATOM 0 H ILE A 17 7.811 6.106 1.116 1.00 52.15 H new ATOM 0 HA ILE A 17 5.986 8.154 0.625 1.00 31.53 H new ATOM 0 HB ILE A 17 5.900 5.766 2.510 1.00 21.14 H new ATOM 0 HG12 ILE A 17 4.801 6.099 -0.294 1.00 31.25 H new ATOM 0 HG13 ILE A 17 6.239 5.195 0.136 1.00 31.25 H new ATOM 0 HG21 ILE A 17 3.451 6.011 2.438 1.00 41.04 H new ATOM 0 HG22 ILE A 17 4.245 7.423 3.175 1.00 41.04 H new ATOM 0 HG23 ILE A 17 3.639 7.514 1.504 1.00 41.04 H new ATOM 0 HD11 ILE A 17 4.326 3.699 -0.180 1.00 11.13 H new ATOM 0 HD12 ILE A 17 4.877 3.657 1.512 1.00 11.13 H new ATOM 0 HD13 ILE A 17 3.417 4.575 1.074 1.00 11.13 H new ATOM 261 N LYS A 18 7.214 7.923 3.719 1.00 31.20 N ATOM 262 CA LYS A 18 7.403 8.609 4.991 1.00 34.41 C ATOM 263 C LYS A 18 7.915 10.014 4.734 1.00 63.23 C ATOM 264 O LYS A 18 7.315 10.964 5.157 1.00 72.02 O ATOM 265 CB LYS A 18 8.459 7.912 5.881 1.00 73.14 C ATOM 266 CG LYS A 18 8.195 6.506 6.281 1.00 31.20 C ATOM 267 CD LYS A 18 9.303 6.014 7.185 1.00 2.01 C ATOM 268 CE LYS A 18 9.199 4.536 7.410 1.00 61.33 C ATOM 269 NZ LYS A 18 10.213 4.037 8.367 1.00 53.55 N ATOM 0 H LYS A 18 7.695 7.026 3.658 1.00 31.20 H new ATOM 0 HA LYS A 18 6.438 8.604 5.497 1.00 34.41 H new ATOM 0 HB2 LYS A 18 9.413 7.939 5.355 1.00 73.14 H new ATOM 0 HB3 LYS A 18 8.578 8.504 6.789 1.00 73.14 H new ATOM 0 HG2 LYS A 18 7.236 6.439 6.796 1.00 31.20 H new ATOM 0 HG3 LYS A 18 8.127 5.873 5.396 1.00 31.20 H new ATOM 0 HD2 LYS A 18 10.270 6.250 6.742 1.00 2.01 H new ATOM 0 HD3 LYS A 18 9.255 6.535 8.141 1.00 2.01 H new ATOM 0 HE2 LYS A 18 8.203 4.297 7.783 1.00 61.33 H new ATOM 0 HE3 LYS A 18 9.316 4.017 6.458 1.00 61.33 H new ATOM 0 HZ1 LYS A 18 10.100 3.010 8.489 1.00 53.55 H new ATOM 0 HZ2 LYS A 18 11.165 4.239 8.001 1.00 53.55 H new ATOM 0 HZ3 LYS A 18 10.087 4.510 9.284 1.00 53.55 H new ATOM 283 N THR A 19 8.993 10.091 3.964 1.00 70.14 N ATOM 284 CA THR A 19 9.694 11.290 3.618 1.00 61.23 C ATOM 285 C THR A 19 8.835 12.291 2.830 1.00 41.43 C ATOM 286 O THR A 19 8.803 13.485 3.148 1.00 24.50 O ATOM 287 CB THR A 19 10.935 10.857 2.812 1.00 23.33 C ATOM 288 OG1 THR A 19 11.959 10.358 3.677 1.00 54.04 O ATOM 289 CG2 THR A 19 11.449 11.919 1.875 1.00 31.02 C ATOM 0 H THR A 19 9.415 9.261 3.547 1.00 70.14 H new ATOM 0 HA THR A 19 9.973 11.824 4.526 1.00 61.23 H new ATOM 0 HB THR A 19 10.612 10.042 2.165 1.00 23.33 H new ATOM 0 HG1 THR A 19 11.803 9.407 3.853 1.00 54.04 H new ATOM 0 HG21 THR A 19 12.322 11.543 1.343 1.00 31.02 H new ATOM 0 HG22 THR A 19 10.671 12.179 1.157 1.00 31.02 H new ATOM 0 HG23 THR A 19 11.726 12.805 2.446 1.00 31.02 H new ATOM 297 N ARG A 20 8.137 11.803 1.843 1.00 44.15 N ATOM 298 CA ARG A 20 7.336 12.641 0.978 1.00 1.10 C ATOM 299 C ARG A 20 6.180 13.299 1.686 1.00 10.14 C ATOM 300 O ARG A 20 5.642 14.298 1.214 1.00 11.35 O ATOM 301 CB ARG A 20 6.886 11.846 -0.226 1.00 71.05 C ATOM 302 CG ARG A 20 7.921 11.808 -1.345 1.00 24.13 C ATOM 303 CD ARG A 20 7.915 13.106 -2.182 1.00 74.34 C ATOM 304 NE ARG A 20 8.325 14.307 -1.430 1.00 54.33 N ATOM 305 CZ ARG A 20 7.886 15.561 -1.663 1.00 13.24 C ATOM 306 NH1 ARG A 20 6.972 15.796 -2.602 1.00 51.44 N ATOM 307 NH2 ARG A 20 8.371 16.571 -0.946 1.00 42.00 N ATOM 0 H ARG A 20 8.104 10.810 1.610 1.00 44.15 H new ATOM 0 HA ARG A 20 7.966 13.465 0.644 1.00 1.10 H new ATOM 0 HB2 ARG A 20 6.660 10.826 0.085 1.00 71.05 H new ATOM 0 HB3 ARG A 20 5.961 12.275 -0.611 1.00 71.05 H new ATOM 0 HG2 ARG A 20 8.912 11.657 -0.917 1.00 24.13 H new ATOM 0 HG3 ARG A 20 7.721 10.956 -1.995 1.00 24.13 H new ATOM 0 HD2 ARG A 20 8.581 12.979 -3.035 1.00 74.34 H new ATOM 0 HD3 ARG A 20 6.913 13.264 -2.581 1.00 74.34 H new ATOM 0 HE ARG A 20 8.995 14.179 -0.672 1.00 54.33 H new ATOM 0 HH11 ARG A 20 6.597 15.024 -3.153 1.00 51.44 H new ATOM 0 HH12 ARG A 20 6.647 16.748 -2.770 1.00 51.44 H new ATOM 0 HH21 ARG A 20 9.071 16.395 -0.225 1.00 42.00 H new ATOM 0 HH22 ARG A 20 8.043 17.522 -1.117 1.00 42.00 H new ATOM 321 N PHE A 21 5.796 12.751 2.790 1.00 11.52 N ATOM 322 CA PHE A 21 4.707 13.276 3.568 1.00 15.12 C ATOM 323 C PHE A 21 5.148 13.348 5.018 1.00 11.25 C ATOM 324 O PHE A 21 4.351 13.163 5.934 1.00 74.03 O ATOM 325 CB PHE A 21 3.503 12.345 3.418 1.00 62.43 C ATOM 326 CG PHE A 21 3.075 12.129 1.987 1.00 54.45 C ATOM 327 CD1 PHE A 21 2.231 13.023 1.361 1.00 52.51 C ATOM 328 CD2 PHE A 21 3.515 11.027 1.278 1.00 4.20 C ATOM 329 CE1 PHE A 21 1.832 12.826 0.060 1.00 3.24 C ATOM 330 CE2 PHE A 21 3.126 10.820 -0.016 1.00 24.51 C ATOM 331 CZ PHE A 21 2.279 11.720 -0.634 1.00 60.00 C ATOM 0 H PHE A 21 6.229 11.917 3.188 1.00 11.52 H new ATOM 0 HA PHE A 21 4.426 14.273 3.228 1.00 15.12 H new ATOM 0 HB2 PHE A 21 3.743 11.380 3.865 1.00 62.43 H new ATOM 0 HB3 PHE A 21 2.665 12.757 3.980 1.00 62.43 H new ATOM 0 HD1 PHE A 21 1.879 13.890 1.900 1.00 52.51 H new ATOM 0 HD2 PHE A 21 4.177 10.318 1.754 1.00 4.20 H new ATOM 0 HE1 PHE A 21 1.171 13.534 -0.417 1.00 3.24 H new ATOM 0 HE2 PHE A 21 3.480 9.954 -0.555 1.00 24.51 H new ATOM 0 HZ PHE A 21 1.968 11.559 -1.656 1.00 60.00 H new ATOM 341 N LEU A 22 6.418 13.660 5.223 1.00 11.43 N ATOM 342 CA LEU A 22 7.048 13.601 6.523 1.00 55.42 C ATOM 343 C LEU A 22 6.497 14.615 7.516 1.00 55.22 C ATOM 344 O LEU A 22 6.583 14.415 8.726 1.00 50.42 O ATOM 345 CB LEU A 22 8.564 13.732 6.363 1.00 62.32 C ATOM 346 CG LEU A 22 9.412 12.557 6.806 1.00 63.04 C ATOM 347 CD1 LEU A 22 10.890 12.852 6.643 1.00 75.42 C ATOM 348 CD2 LEU A 22 9.107 12.212 8.208 1.00 51.03 C ATOM 0 H LEU A 22 7.044 13.965 4.478 1.00 11.43 H new ATOM 0 HA LEU A 22 6.811 12.628 6.954 1.00 55.42 H new ATOM 0 HB2 LEU A 22 8.777 13.925 5.312 1.00 62.32 H new ATOM 0 HB3 LEU A 22 8.888 14.611 6.920 1.00 62.32 H new ATOM 0 HG LEU A 22 9.171 11.706 6.170 1.00 63.04 H new ATOM 0 HD11 LEU A 22 11.471 11.990 6.969 1.00 75.42 H new ATOM 0 HD12 LEU A 22 11.106 13.060 5.595 1.00 75.42 H new ATOM 0 HD13 LEU A 22 11.157 13.719 7.247 1.00 75.42 H new ATOM 0 HD21 LEU A 22 9.722 11.366 8.517 1.00 51.03 H new ATOM 0 HD22 LEU A 22 9.320 13.068 8.848 1.00 51.03 H new ATOM 0 HD23 LEU A 22 8.054 11.946 8.296 1.00 51.03 H new ATOM 360 N ASP A 23 5.912 15.672 7.019 1.00 22.42 N ATOM 361 CA ASP A 23 5.373 16.696 7.877 1.00 62.43 C ATOM 362 C ASP A 23 3.948 16.379 8.256 1.00 5.04 C ATOM 363 O ASP A 23 3.376 16.993 9.158 1.00 13.52 O ATOM 364 CB ASP A 23 5.409 18.033 7.188 1.00 5.42 C ATOM 365 CG ASP A 23 6.794 18.525 6.875 1.00 45.04 C ATOM 366 OD1 ASP A 23 7.530 18.930 7.793 1.00 35.24 O ATOM 367 OD2 ASP A 23 7.175 18.535 5.687 1.00 25.41 O ATOM 0 H ASP A 23 5.796 15.848 6.021 1.00 22.42 H new ATOM 0 HA ASP A 23 5.986 16.732 8.777 1.00 62.43 H new ATOM 0 HB2 ASP A 23 4.840 17.967 6.261 1.00 5.42 H new ATOM 0 HB3 ASP A 23 4.908 18.768 7.818 1.00 5.42 H new ATOM 372 N HIS A 24 3.374 15.422 7.577 1.00 43.22 N ATOM 373 CA HIS A 24 2.002 15.040 7.805 1.00 4.04 C ATOM 374 C HIS A 24 1.865 13.536 8.005 1.00 42.11 C ATOM 375 O HIS A 24 1.617 12.787 7.049 1.00 12.30 O ATOM 376 CB HIS A 24 1.091 15.503 6.665 1.00 54.01 C ATOM 377 CG HIS A 24 0.883 16.968 6.569 1.00 22.15 C ATOM 378 ND1 HIS A 24 0.339 17.758 7.562 1.00 22.32 N ATOM 379 CD2 HIS A 24 1.162 17.779 5.559 1.00 11.45 C ATOM 380 CE1 HIS A 24 0.316 19.011 7.116 1.00 3.41 C ATOM 381 NE2 HIS A 24 0.809 19.085 5.892 1.00 63.02 N ATOM 0 H HIS A 24 3.843 14.883 6.849 1.00 43.22 H new ATOM 0 HA HIS A 24 1.686 15.539 8.721 1.00 4.04 H new ATOM 0 HB2 HIS A 24 1.510 15.151 5.722 1.00 54.01 H new ATOM 0 HB3 HIS A 24 0.120 15.023 6.782 1.00 54.01 H new ATOM 0 HD2 HIS A 24 1.598 17.474 4.619 1.00 11.45 H new ATOM 0 HE1 HIS A 24 -0.056 19.855 7.679 1.00 3.41 H new ATOM 0 HE2 HIS A 24 0.910 19.920 5.315 1.00 63.02 H new ATOM 389 N PRO A 25 2.039 13.061 9.249 1.00 10.41 N ATOM 390 CA PRO A 25 1.927 11.635 9.587 1.00 51.13 C ATOM 391 C PRO A 25 0.552 11.044 9.240 1.00 74.30 C ATOM 392 O PRO A 25 0.433 9.844 9.010 1.00 32.24 O ATOM 393 CB PRO A 25 2.158 11.599 11.099 1.00 14.32 C ATOM 394 CG PRO A 25 2.915 12.844 11.398 1.00 32.34 C ATOM 395 CD PRO A 25 2.408 13.870 10.432 1.00 13.44 C ATOM 0 HA PRO A 25 2.639 11.036 9.019 1.00 51.13 H new ATOM 0 HB2 PRO A 25 1.214 11.570 11.643 1.00 14.32 H new ATOM 0 HB3 PRO A 25 2.722 10.713 11.392 1.00 14.32 H new ATOM 0 HG2 PRO A 25 2.753 13.163 12.428 1.00 32.34 H new ATOM 0 HG3 PRO A 25 3.987 12.689 11.277 1.00 32.34 H new ATOM 0 HD2 PRO A 25 1.552 14.413 10.832 1.00 13.44 H new ATOM 0 HD3 PRO A 25 3.171 14.610 10.192 1.00 13.44 H new ATOM 403 N GLU A 26 -0.467 11.903 9.185 1.00 33.23 N ATOM 404 CA GLU A 26 -1.832 11.523 8.847 1.00 41.30 C ATOM 405 C GLU A 26 -1.922 10.833 7.480 1.00 55.34 C ATOM 406 O GLU A 26 -2.673 9.888 7.311 1.00 21.20 O ATOM 407 CB GLU A 26 -2.735 12.750 8.866 1.00 61.13 C ATOM 408 CG GLU A 26 -2.328 13.823 7.883 1.00 63.55 C ATOM 409 CD GLU A 26 -3.258 14.998 7.877 1.00 12.12 C ATOM 410 OE1 GLU A 26 -3.429 15.634 8.930 1.00 51.25 O ATOM 411 OE2 GLU A 26 -3.807 15.336 6.807 1.00 0.53 O ATOM 0 H GLU A 26 -0.361 12.899 9.378 1.00 33.23 H new ATOM 0 HA GLU A 26 -2.164 10.807 9.599 1.00 41.30 H new ATOM 0 HB2 GLU A 26 -3.757 12.440 8.649 1.00 61.13 H new ATOM 0 HB3 GLU A 26 -2.737 13.173 9.871 1.00 61.13 H new ATOM 0 HG2 GLU A 26 -1.321 14.165 8.124 1.00 63.55 H new ATOM 0 HG3 GLU A 26 -2.288 13.394 6.882 1.00 63.55 H new ATOM 418 N ILE A 27 -1.120 11.290 6.537 1.00 45.53 N ATOM 419 CA ILE A 27 -1.121 10.774 5.173 1.00 22.13 C ATOM 420 C ILE A 27 -0.527 9.385 5.167 1.00 53.44 C ATOM 421 O ILE A 27 -1.085 8.452 4.581 1.00 73.22 O ATOM 422 CB ILE A 27 -0.302 11.714 4.272 1.00 75.02 C ATOM 423 CG1 ILE A 27 -0.909 13.121 4.363 1.00 71.52 C ATOM 424 CG2 ILE A 27 -0.267 11.210 2.829 1.00 1.43 C ATOM 425 CD1 ILE A 27 -0.292 14.128 3.445 1.00 33.10 C ATOM 0 H ILE A 27 -0.442 12.036 6.693 1.00 45.53 H new ATOM 0 HA ILE A 27 -2.141 10.724 4.792 1.00 22.13 H new ATOM 0 HB ILE A 27 0.733 11.742 4.614 1.00 75.02 H new ATOM 0 HG12 ILE A 27 -1.975 13.057 4.146 1.00 71.52 H new ATOM 0 HG13 ILE A 27 -0.813 13.478 5.389 1.00 71.52 H new ATOM 0 HG21 ILE A 27 0.319 11.896 2.218 1.00 1.43 H new ATOM 0 HG22 ILE A 27 0.188 10.220 2.800 1.00 1.43 H new ATOM 0 HG23 ILE A 27 -1.283 11.154 2.438 1.00 1.43 H new ATOM 0 HD11 ILE A 27 -0.784 15.092 3.578 1.00 33.10 H new ATOM 0 HD12 ILE A 27 0.769 14.227 3.674 1.00 33.10 H new ATOM 0 HD13 ILE A 27 -0.411 13.800 2.412 1.00 33.10 H new ATOM 437 N TYR A 28 0.574 9.260 5.878 1.00 65.33 N ATOM 438 CA TYR A 28 1.269 8.004 6.067 1.00 13.54 C ATOM 439 C TYR A 28 0.288 7.008 6.696 1.00 51.51 C ATOM 440 O TYR A 28 0.040 5.927 6.172 1.00 60.24 O ATOM 441 CB TYR A 28 2.435 8.259 7.032 1.00 1.31 C ATOM 442 CG TYR A 28 3.409 7.122 7.202 1.00 11.03 C ATOM 443 CD1 TYR A 28 4.169 6.669 6.138 1.00 23.25 C ATOM 444 CD2 TYR A 28 3.564 6.501 8.433 1.00 35.02 C ATOM 445 CE1 TYR A 28 5.046 5.626 6.288 1.00 21.32 C ATOM 446 CE2 TYR A 28 4.448 5.455 8.596 1.00 5.13 C ATOM 447 CZ TYR A 28 5.182 5.018 7.524 1.00 41.00 C ATOM 448 OH TYR A 28 6.069 3.981 7.687 1.00 62.44 O ATOM 0 H TYR A 28 1.020 10.046 6.351 1.00 65.33 H new ATOM 0 HA TYR A 28 1.643 7.605 5.124 1.00 13.54 H new ATOM 0 HB2 TYR A 28 2.985 9.134 6.684 1.00 1.31 H new ATOM 0 HB3 TYR A 28 2.024 8.509 8.010 1.00 1.31 H new ATOM 0 HD1 TYR A 28 4.070 7.145 5.174 1.00 23.25 H new ATOM 0 HD2 TYR A 28 2.983 6.842 9.277 1.00 35.02 H new ATOM 0 HE1 TYR A 28 5.628 5.281 5.446 1.00 21.32 H new ATOM 0 HE2 TYR A 28 4.561 4.984 9.561 1.00 5.13 H new ATOM 0 HH TYR A 28 6.041 3.669 8.616 1.00 62.44 H new ATOM 458 N ARG A 29 -0.299 7.446 7.792 1.00 43.25 N ATOM 459 CA ARG A 29 -1.239 6.717 8.576 1.00 22.02 C ATOM 460 C ARG A 29 -2.470 6.262 7.758 1.00 63.41 C ATOM 461 O ARG A 29 -2.831 5.078 7.785 1.00 14.43 O ATOM 462 CB ARG A 29 -1.655 7.620 9.722 1.00 25.35 C ATOM 463 CG ARG A 29 -2.704 7.072 10.618 1.00 2.52 C ATOM 464 CD ARG A 29 -2.988 8.034 11.747 1.00 34.22 C ATOM 465 NE ARG A 29 -4.146 7.622 12.545 1.00 61.01 N ATOM 466 CZ ARG A 29 -4.222 7.643 13.879 1.00 71.24 C ATOM 467 NH1 ARG A 29 -3.162 7.946 14.612 1.00 73.40 N ATOM 468 NH2 ARG A 29 -5.370 7.335 14.476 1.00 11.04 N ATOM 0 H ARG A 29 -0.113 8.375 8.169 1.00 43.25 H new ATOM 0 HA ARG A 29 -0.776 5.800 8.941 1.00 22.02 H new ATOM 0 HB2 ARG A 29 -0.773 7.848 10.321 1.00 25.35 H new ATOM 0 HB3 ARG A 29 -2.012 8.563 9.308 1.00 25.35 H new ATOM 0 HG2 ARG A 29 -3.616 6.888 10.050 1.00 2.52 H new ATOM 0 HG3 ARG A 29 -2.381 6.112 11.022 1.00 2.52 H new ATOM 0 HD2 ARG A 29 -2.111 8.105 12.391 1.00 34.22 H new ATOM 0 HD3 ARG A 29 -3.165 9.029 11.339 1.00 34.22 H new ATOM 0 HE ARG A 29 -4.966 7.290 12.038 1.00 61.01 H new ATOM 0 HH11 ARG A 29 -2.275 8.167 14.159 1.00 73.40 H new ATOM 0 HH12 ARG A 29 -3.232 7.959 15.629 1.00 73.40 H new ATOM 0 HH21 ARG A 29 -6.185 7.085 13.916 1.00 11.04 H new ATOM 0 HH22 ARG A 29 -5.435 7.349 15.494 1.00 11.04 H new ATOM 482 N SER A 30 -3.083 7.190 7.035 1.00 23.44 N ATOM 483 CA SER A 30 -4.281 6.907 6.248 1.00 3.21 C ATOM 484 C SER A 30 -3.997 5.882 5.150 1.00 10.24 C ATOM 485 O SER A 30 -4.831 5.068 4.820 1.00 21.15 O ATOM 486 CB SER A 30 -4.863 8.200 5.667 1.00 64.10 C ATOM 487 OG SER A 30 -5.174 9.129 6.707 1.00 5.50 O ATOM 0 H SER A 30 -2.767 8.158 6.976 1.00 23.44 H new ATOM 0 HA SER A 30 -5.026 6.470 6.913 1.00 3.21 H new ATOM 0 HB2 SER A 30 -4.149 8.647 4.976 1.00 64.10 H new ATOM 0 HB3 SER A 30 -5.762 7.974 5.094 1.00 64.10 H new ATOM 0 HG SER A 30 -4.345 9.517 7.058 1.00 5.50 H new ATOM 493 N PHE A 31 -2.820 5.918 4.590 1.00 54.51 N ATOM 494 CA PHE A 31 -2.467 4.917 3.622 1.00 10.14 C ATOM 495 C PHE A 31 -2.171 3.578 4.287 1.00 31.42 C ATOM 496 O PHE A 31 -2.568 2.517 3.784 1.00 52.43 O ATOM 497 CB PHE A 31 -1.330 5.374 2.720 1.00 24.31 C ATOM 498 CG PHE A 31 -0.643 4.226 2.056 1.00 12.12 C ATOM 499 CD1 PHE A 31 -1.233 3.583 0.989 1.00 64.53 C ATOM 500 CD2 PHE A 31 0.564 3.758 2.541 1.00 15.14 C ATOM 501 CE1 PHE A 31 -0.635 2.498 0.406 1.00 3.44 C ATOM 502 CE2 PHE A 31 1.176 2.665 1.964 1.00 12.21 C ATOM 503 CZ PHE A 31 0.575 2.029 0.892 1.00 40.44 C ATOM 0 H PHE A 31 -2.101 6.615 4.782 1.00 54.51 H new ATOM 0 HA PHE A 31 -3.334 4.769 2.978 1.00 10.14 H new ATOM 0 HB2 PHE A 31 -1.720 6.051 1.960 1.00 24.31 H new ATOM 0 HB3 PHE A 31 -0.606 5.938 3.308 1.00 24.31 H new ATOM 0 HD1 PHE A 31 -2.179 3.939 0.608 1.00 64.53 H new ATOM 0 HD2 PHE A 31 1.032 4.253 3.379 1.00 15.14 H new ATOM 0 HE1 PHE A 31 -1.106 2.008 -0.433 1.00 3.44 H new ATOM 0 HE2 PHE A 31 2.120 2.307 2.347 1.00 12.21 H new ATOM 0 HZ PHE A 31 1.047 1.171 0.436 1.00 40.44 H new ATOM 513 N LEU A 32 -1.477 3.621 5.401 1.00 61.53 N ATOM 514 CA LEU A 32 -1.154 2.432 6.152 1.00 4.23 C ATOM 515 C LEU A 32 -2.395 1.673 6.546 1.00 11.23 C ATOM 516 O LEU A 32 -2.377 0.445 6.588 1.00 51.12 O ATOM 517 CB LEU A 32 -0.358 2.788 7.381 1.00 72.12 C ATOM 518 CG LEU A 32 1.067 3.242 7.165 1.00 73.44 C ATOM 519 CD1 LEU A 32 1.661 3.580 8.491 1.00 61.04 C ATOM 520 CD2 LEU A 32 1.894 2.169 6.460 1.00 33.14 C ATOM 0 H LEU A 32 -1.120 4.484 5.812 1.00 61.53 H new ATOM 0 HA LEU A 32 -0.554 1.788 5.509 1.00 4.23 H new ATOM 0 HB2 LEU A 32 -0.889 3.578 7.912 1.00 72.12 H new ATOM 0 HB3 LEU A 32 -0.341 1.918 8.038 1.00 72.12 H new ATOM 0 HG LEU A 32 1.071 4.121 6.520 1.00 73.44 H new ATOM 0 HD11 LEU A 32 2.691 3.910 8.355 1.00 61.04 H new ATOM 0 HD12 LEU A 32 1.082 4.378 8.956 1.00 61.04 H new ATOM 0 HD13 LEU A 32 1.644 2.699 9.132 1.00 61.04 H new ATOM 0 HD21 LEU A 32 2.913 2.529 6.321 1.00 33.14 H new ATOM 0 HD22 LEU A 32 1.908 1.264 7.067 1.00 33.14 H new ATOM 0 HD23 LEU A 32 1.451 1.948 5.489 1.00 33.14 H new ATOM 532 N GLU A 33 -3.479 2.392 6.796 1.00 63.20 N ATOM 533 CA GLU A 33 -4.720 1.766 7.170 1.00 52.02 C ATOM 534 C GLU A 33 -5.222 0.899 6.008 1.00 74.55 C ATOM 535 O GLU A 33 -5.746 -0.179 6.224 1.00 33.00 O ATOM 536 CB GLU A 33 -5.777 2.811 7.597 1.00 24.01 C ATOM 537 CG GLU A 33 -6.625 3.407 6.470 1.00 32.22 C ATOM 538 CD GLU A 33 -7.643 4.400 6.961 1.00 53.43 C ATOM 539 OE1 GLU A 33 -8.741 3.982 7.377 1.00 15.40 O ATOM 540 OE2 GLU A 33 -7.365 5.612 6.952 1.00 23.14 O ATOM 0 H GLU A 33 -3.516 3.410 6.744 1.00 63.20 H new ATOM 0 HA GLU A 33 -4.546 1.128 8.037 1.00 52.02 H new ATOM 0 HB2 GLU A 33 -6.446 2.347 8.322 1.00 24.01 H new ATOM 0 HB3 GLU A 33 -5.267 3.626 8.111 1.00 24.01 H new ATOM 0 HG2 GLU A 33 -5.969 3.894 5.748 1.00 32.22 H new ATOM 0 HG3 GLU A 33 -7.136 2.602 5.943 1.00 32.22 H new ATOM 547 N ILE A 34 -4.982 1.367 4.778 1.00 62.32 N ATOM 548 CA ILE A 34 -5.375 0.693 3.580 1.00 24.42 C ATOM 549 C ILE A 34 -4.532 -0.544 3.379 1.00 31.01 C ATOM 550 O ILE A 34 -5.055 -1.597 3.101 1.00 1.32 O ATOM 551 CB ILE A 34 -5.211 1.631 2.360 1.00 71.11 C ATOM 552 CG1 ILE A 34 -6.077 2.879 2.538 1.00 2.41 C ATOM 553 CG2 ILE A 34 -5.534 0.901 1.058 1.00 25.42 C ATOM 554 CD1 ILE A 34 -5.856 3.931 1.484 1.00 40.22 C ATOM 0 H ILE A 34 -4.496 2.247 4.606 1.00 62.32 H new ATOM 0 HA ILE A 34 -6.422 0.405 3.673 1.00 24.42 H new ATOM 0 HB ILE A 34 -4.170 1.947 2.299 1.00 71.11 H new ATOM 0 HG12 ILE A 34 -7.127 2.585 2.529 1.00 2.41 H new ATOM 0 HG13 ILE A 34 -5.875 3.312 3.518 1.00 2.41 H new ATOM 0 HG21 ILE A 34 -5.410 1.584 0.218 1.00 25.42 H new ATOM 0 HG22 ILE A 34 -4.859 0.053 0.939 1.00 25.42 H new ATOM 0 HG23 ILE A 34 -6.563 0.544 1.087 1.00 25.42 H new ATOM 0 HD11 ILE A 34 -6.506 4.784 1.679 1.00 40.22 H new ATOM 0 HD12 ILE A 34 -4.816 4.255 1.506 1.00 40.22 H new ATOM 0 HD13 ILE A 34 -6.086 3.517 0.502 1.00 40.22 H new ATOM 566 N LEU A 35 -3.227 -0.415 3.546 1.00 54.23 N ATOM 567 CA LEU A 35 -2.331 -1.519 3.334 1.00 55.55 C ATOM 568 C LEU A 35 -2.609 -2.632 4.358 1.00 54.53 C ATOM 569 O LEU A 35 -2.702 -3.803 3.993 1.00 62.25 O ATOM 570 CB LEU A 35 -0.898 -1.013 3.412 1.00 74.11 C ATOM 571 CG LEU A 35 0.164 -1.763 2.595 1.00 14.30 C ATOM 572 CD1 LEU A 35 0.397 -3.189 3.085 1.00 33.55 C ATOM 573 CD2 LEU A 35 -0.200 -1.763 1.115 1.00 34.40 C ATOM 0 H LEU A 35 -2.770 0.452 3.830 1.00 54.23 H new ATOM 0 HA LEU A 35 -2.488 -1.950 2.345 1.00 55.55 H new ATOM 0 HB2 LEU A 35 -0.892 0.030 3.095 1.00 74.11 H new ATOM 0 HB3 LEU A 35 -0.592 -1.030 4.458 1.00 74.11 H new ATOM 0 HG LEU A 35 1.101 -1.225 2.737 1.00 14.30 H new ATOM 0 HD11 LEU A 35 1.158 -3.666 2.468 1.00 33.55 H new ATOM 0 HD12 LEU A 35 0.732 -3.167 4.122 1.00 33.55 H new ATOM 0 HD13 LEU A 35 -0.533 -3.754 3.016 1.00 33.55 H new ATOM 0 HD21 LEU A 35 0.564 -2.299 0.552 1.00 34.40 H new ATOM 0 HD22 LEU A 35 -1.163 -2.254 0.977 1.00 34.40 H new ATOM 0 HD23 LEU A 35 -0.262 -0.736 0.755 1.00 34.40 H new ATOM 585 N HIS A 36 -2.782 -2.252 5.622 1.00 45.42 N ATOM 586 CA HIS A 36 -3.135 -3.214 6.671 1.00 33.21 C ATOM 587 C HIS A 36 -4.463 -3.871 6.346 1.00 44.34 C ATOM 588 O HIS A 36 -4.591 -5.095 6.394 1.00 34.33 O ATOM 589 CB HIS A 36 -3.196 -2.546 8.043 1.00 71.34 C ATOM 590 CG HIS A 36 -1.859 -2.233 8.646 1.00 44.12 C ATOM 591 ND1 HIS A 36 -1.296 -0.983 8.671 1.00 23.51 N ATOM 592 CD2 HIS A 36 -0.994 -3.040 9.292 1.00 15.44 C ATOM 593 CE1 HIS A 36 -0.134 -1.059 9.316 1.00 75.13 C ATOM 594 NE2 HIS A 36 0.101 -2.294 9.718 1.00 54.43 N ATOM 0 H HIS A 36 -2.685 -1.290 5.947 1.00 45.42 H new ATOM 0 HA HIS A 36 -2.356 -3.976 6.707 1.00 33.21 H new ATOM 0 HB2 HIS A 36 -3.766 -1.621 7.957 1.00 71.34 H new ATOM 0 HB3 HIS A 36 -3.744 -3.196 8.725 1.00 71.34 H new ATOM 0 HD1 HIS A 36 -1.699 -0.139 8.265 1.00 23.51 H new ATOM 0 HD2 HIS A 36 -1.129 -4.099 9.454 1.00 15.44 H new ATOM 0 HE1 HIS A 36 0.527 -0.223 9.487 1.00 75.13 H new ATOM 602 N THR A 37 -5.420 -3.043 5.974 1.00 52.01 N ATOM 603 CA THR A 37 -6.727 -3.476 5.527 1.00 45.41 C ATOM 604 C THR A 37 -6.602 -4.480 4.384 1.00 13.11 C ATOM 605 O THR A 37 -7.220 -5.520 4.408 1.00 53.25 O ATOM 606 CB THR A 37 -7.554 -2.229 5.091 1.00 11.51 C ATOM 607 OG1 THR A 37 -8.068 -1.522 6.233 1.00 61.54 O ATOM 608 CG2 THR A 37 -8.640 -2.501 4.043 1.00 31.52 C ATOM 0 H THR A 37 -5.307 -2.029 5.975 1.00 52.01 H new ATOM 0 HA THR A 37 -7.243 -3.978 6.345 1.00 45.41 H new ATOM 0 HB THR A 37 -6.844 -1.584 4.573 1.00 11.51 H new ATOM 0 HG1 THR A 37 -7.405 -0.869 6.539 1.00 61.54 H new ATOM 0 HG21 THR A 37 -9.158 -1.572 3.807 1.00 31.52 H new ATOM 0 HG22 THR A 37 -8.181 -2.901 3.139 1.00 31.52 H new ATOM 0 HG23 THR A 37 -9.354 -3.224 4.438 1.00 31.52 H new ATOM 616 N TYR A 38 -5.749 -4.166 3.442 1.00 61.15 N ATOM 617 CA TYR A 38 -5.540 -4.952 2.264 1.00 64.52 C ATOM 618 C TYR A 38 -4.996 -6.340 2.601 1.00 63.35 C ATOM 619 O TYR A 38 -5.451 -7.335 2.046 1.00 52.22 O ATOM 620 CB TYR A 38 -4.595 -4.209 1.326 1.00 33.13 C ATOM 621 CG TYR A 38 -4.445 -4.859 0.011 1.00 61.30 C ATOM 622 CD1 TYR A 38 -5.413 -4.682 -0.930 1.00 52.11 C ATOM 623 CD2 TYR A 38 -3.346 -5.650 -0.291 1.00 4.05 C ATOM 624 CE1 TYR A 38 -5.315 -5.281 -2.177 1.00 14.30 C ATOM 625 CE2 TYR A 38 -3.230 -6.254 -1.527 1.00 42.23 C ATOM 626 CZ TYR A 38 -4.222 -6.067 -2.468 1.00 44.23 C ATOM 627 OH TYR A 38 -4.123 -6.671 -3.699 1.00 12.15 O ATOM 0 H TYR A 38 -5.166 -3.330 3.480 1.00 61.15 H new ATOM 0 HA TYR A 38 -6.500 -5.100 1.769 1.00 64.52 H new ATOM 0 HB2 TYR A 38 -4.963 -3.193 1.181 1.00 33.13 H new ATOM 0 HB3 TYR A 38 -3.615 -4.129 1.797 1.00 33.13 H new ATOM 0 HD1 TYR A 38 -6.270 -4.066 -0.702 1.00 52.11 H new ATOM 0 HD2 TYR A 38 -2.573 -5.795 0.449 1.00 4.05 H new ATOM 0 HE1 TYR A 38 -6.090 -5.132 -2.914 1.00 14.30 H new ATOM 0 HE2 TYR A 38 -2.371 -6.867 -1.755 1.00 42.23 H new ATOM 0 HH TYR A 38 -3.292 -7.189 -3.743 1.00 12.15 H new ATOM 637 N GLN A 39 -4.042 -6.395 3.518 1.00 1.22 N ATOM 638 CA GLN A 39 -3.445 -7.665 3.940 1.00 43.12 C ATOM 639 C GLN A 39 -4.503 -8.572 4.548 1.00 43.23 C ATOM 640 O GLN A 39 -4.627 -9.748 4.195 1.00 31.51 O ATOM 641 CB GLN A 39 -2.372 -7.423 4.985 1.00 21.21 C ATOM 642 CG GLN A 39 -1.213 -6.574 4.536 1.00 14.32 C ATOM 643 CD GLN A 39 -0.257 -6.309 5.670 1.00 70.14 C ATOM 644 OE1 GLN A 39 -0.659 -6.259 6.840 1.00 14.24 O ATOM 645 NE2 GLN A 39 0.993 -6.147 5.353 1.00 30.14 N ATOM 0 H GLN A 39 -3.660 -5.575 3.989 1.00 1.22 H new ATOM 0 HA GLN A 39 -3.009 -8.137 3.060 1.00 43.12 H new ATOM 0 HB2 GLN A 39 -2.833 -6.949 5.852 1.00 21.21 H new ATOM 0 HB3 GLN A 39 -1.987 -8.388 5.316 1.00 21.21 H new ATOM 0 HG2 GLN A 39 -0.687 -7.074 3.723 1.00 14.32 H new ATOM 0 HG3 GLN A 39 -1.584 -5.628 4.141 1.00 14.32 H new ATOM 0 HE21 GLN A 39 1.282 -6.196 4.376 1.00 30.14 H new ATOM 0 HE22 GLN A 39 1.685 -5.971 6.081 1.00 30.14 H new ATOM 904 N GLU A 55 -9.481 -5.002 -4.897 1.00 11.35 N ATOM 905 CA GLU A 55 -8.210 -4.573 -5.481 1.00 34.51 C ATOM 906 C GLU A 55 -8.274 -3.204 -6.201 1.00 24.53 C ATOM 907 O GLU A 55 -7.410 -2.348 -5.991 1.00 51.15 O ATOM 908 CB GLU A 55 -7.776 -5.639 -6.458 1.00 3.05 C ATOM 909 CG GLU A 55 -6.372 -5.497 -6.938 1.00 21.03 C ATOM 910 CD GLU A 55 -6.031 -6.515 -7.987 1.00 72.14 C ATOM 911 OE1 GLU A 55 -5.915 -7.706 -7.657 1.00 51.32 O ATOM 912 OE2 GLU A 55 -5.867 -6.141 -9.170 1.00 72.23 O ATOM 0 HA GLU A 55 -7.498 -4.442 -4.666 1.00 34.51 H new ATOM 0 HB2 GLU A 55 -7.889 -6.615 -5.986 1.00 3.05 H new ATOM 0 HB3 GLU A 55 -8.445 -5.621 -7.318 1.00 3.05 H new ATOM 0 HG2 GLU A 55 -6.227 -4.496 -7.344 1.00 21.03 H new ATOM 0 HG3 GLU A 55 -5.688 -5.602 -6.095 1.00 21.03 H new ATOM 919 N GLU A 56 -9.286 -2.992 -7.011 1.00 15.31 N ATOM 920 CA GLU A 56 -9.412 -1.787 -7.749 1.00 70.13 C ATOM 921 C GLU A 56 -9.764 -0.590 -6.873 1.00 53.15 C ATOM 922 O GLU A 56 -9.276 0.524 -7.109 1.00 60.53 O ATOM 923 CB GLU A 56 -10.397 -1.987 -8.854 1.00 53.13 C ATOM 924 CG GLU A 56 -9.919 -2.982 -9.893 1.00 23.45 C ATOM 925 CD GLU A 56 -10.858 -3.111 -11.044 1.00 33.15 C ATOM 926 OE1 GLU A 56 -11.795 -3.937 -10.985 1.00 24.25 O ATOM 927 OE2 GLU A 56 -10.682 -2.387 -12.045 1.00 74.55 O ATOM 0 H GLU A 56 -10.040 -3.661 -7.167 1.00 15.31 H new ATOM 0 HA GLU A 56 -8.440 -1.547 -8.180 1.00 70.13 H new ATOM 0 HB2 GLU A 56 -11.342 -2.332 -8.434 1.00 53.13 H new ATOM 0 HB3 GLU A 56 -10.594 -1.030 -9.337 1.00 53.13 H new ATOM 0 HG2 GLU A 56 -8.940 -2.674 -10.261 1.00 23.45 H new ATOM 0 HG3 GLU A 56 -9.791 -3.957 -9.424 1.00 23.45 H new ATOM 934 N GLU A 57 -10.564 -0.805 -5.839 1.00 41.40 N ATOM 935 CA GLU A 57 -10.901 0.285 -4.941 1.00 4.11 C ATOM 936 C GLU A 57 -9.698 0.527 -4.024 1.00 0.33 C ATOM 937 O GLU A 57 -9.453 1.646 -3.577 1.00 51.41 O ATOM 938 CB GLU A 57 -12.171 -0.003 -4.131 1.00 24.15 C ATOM 939 CG GLU A 57 -11.918 -0.750 -2.869 1.00 4.34 C ATOM 940 CD GLU A 57 -13.154 -1.052 -2.094 1.00 14.14 C ATOM 941 OE1 GLU A 57 -13.608 -0.204 -1.306 1.00 43.41 O ATOM 942 OE2 GLU A 57 -13.691 -2.158 -2.229 1.00 54.23 O ATOM 0 H GLU A 57 -10.983 -1.705 -5.605 1.00 41.40 H new ATOM 0 HA GLU A 57 -11.118 1.180 -5.524 1.00 4.11 H new ATOM 0 HB2 GLU A 57 -12.661 0.941 -3.892 1.00 24.15 H new ATOM 0 HB3 GLU A 57 -12.864 -0.575 -4.749 1.00 24.15 H new ATOM 0 HG2 GLU A 57 -11.411 -1.685 -3.106 1.00 4.34 H new ATOM 0 HG3 GLU A 57 -11.240 -0.170 -2.243 1.00 4.34 H new ATOM 949 N VAL A 58 -8.923 -0.549 -3.801 1.00 34.11 N ATOM 950 CA VAL A 58 -7.713 -0.501 -3.053 1.00 61.12 C ATOM 951 C VAL A 58 -6.768 0.468 -3.721 1.00 0.42 C ATOM 952 O VAL A 58 -6.337 1.445 -3.116 1.00 21.23 O ATOM 953 CB VAL A 58 -7.053 -1.904 -3.003 1.00 53.54 C ATOM 954 CG1 VAL A 58 -5.644 -1.825 -2.512 1.00 40.24 C ATOM 955 CG2 VAL A 58 -7.845 -2.856 -2.137 1.00 40.31 C ATOM 0 H VAL A 58 -9.148 -1.479 -4.153 1.00 34.11 H new ATOM 0 HA VAL A 58 -7.932 -0.179 -2.035 1.00 61.12 H new ATOM 0 HB VAL A 58 -7.045 -2.288 -4.023 1.00 53.54 H new ATOM 0 HG11 VAL A 58 -5.210 -2.825 -2.489 1.00 40.24 H new ATOM 0 HG12 VAL A 58 -5.061 -1.192 -3.180 1.00 40.24 H new ATOM 0 HG13 VAL A 58 -5.632 -1.401 -1.508 1.00 40.24 H new ATOM 0 HG21 VAL A 58 -7.355 -3.829 -2.124 1.00 40.31 H new ATOM 0 HG22 VAL A 58 -7.900 -2.464 -1.121 1.00 40.31 H new ATOM 0 HG23 VAL A 58 -8.852 -2.962 -2.540 1.00 40.31 H new ATOM 965 N PHE A 59 -6.522 0.231 -5.009 1.00 52.22 N ATOM 966 CA PHE A 59 -5.625 1.061 -5.777 1.00 12.23 C ATOM 967 C PHE A 59 -6.140 2.487 -5.833 1.00 3.14 C ATOM 968 O PHE A 59 -5.361 3.424 -5.798 1.00 32.22 O ATOM 969 CB PHE A 59 -5.395 0.502 -7.193 1.00 2.23 C ATOM 970 CG PHE A 59 -4.389 1.303 -7.987 1.00 22.45 C ATOM 971 CD1 PHE A 59 -3.035 1.202 -7.708 1.00 25.23 C ATOM 972 CD2 PHE A 59 -4.798 2.165 -8.994 1.00 33.45 C ATOM 973 CE1 PHE A 59 -2.109 1.943 -8.413 1.00 74.43 C ATOM 974 CE2 PHE A 59 -3.875 2.907 -9.705 1.00 35.40 C ATOM 975 CZ PHE A 59 -2.529 2.798 -9.414 1.00 35.12 C ATOM 0 H PHE A 59 -6.939 -0.536 -5.536 1.00 52.22 H new ATOM 0 HA PHE A 59 -4.659 1.059 -5.272 1.00 12.23 H new ATOM 0 HB2 PHE A 59 -5.053 -0.530 -7.119 1.00 2.23 H new ATOM 0 HB3 PHE A 59 -6.343 0.486 -7.730 1.00 2.23 H new ATOM 0 HD1 PHE A 59 -2.700 0.534 -6.928 1.00 25.23 H new ATOM 0 HD2 PHE A 59 -5.849 2.257 -9.224 1.00 33.45 H new ATOM 0 HE1 PHE A 59 -1.057 1.855 -8.183 1.00 74.43 H new ATOM 0 HE2 PHE A 59 -4.206 3.573 -10.489 1.00 35.40 H new ATOM 0 HZ PHE A 59 -1.807 3.380 -9.968 1.00 35.12 H new ATOM 985 N THR A 60 -7.453 2.637 -5.859 1.00 70.04 N ATOM 986 CA THR A 60 -8.072 3.882 -5.885 1.00 2.52 C ATOM 987 C THR A 60 -7.741 4.709 -4.634 1.00 4.53 C ATOM 988 O THR A 60 -7.310 5.845 -4.758 1.00 0.22 O ATOM 989 CB THR A 60 -9.572 3.678 -6.034 1.00 63.43 C ATOM 990 OG1 THR A 60 -9.857 3.116 -7.332 1.00 62.13 O ATOM 991 CG2 THR A 60 -10.298 4.956 -5.850 1.00 52.14 C ATOM 0 H THR A 60 -8.106 1.853 -5.862 1.00 70.04 H new ATOM 0 HA THR A 60 -7.695 4.450 -6.736 1.00 2.52 H new ATOM 0 HB THR A 60 -9.912 2.987 -5.263 1.00 63.43 H new ATOM 0 HG1 THR A 60 -9.501 2.204 -7.379 1.00 62.13 H new ATOM 0 HG21 THR A 60 -11.369 4.785 -5.961 1.00 52.14 H new ATOM 0 HG22 THR A 60 -10.095 5.350 -4.854 1.00 52.14 H new ATOM 0 HG23 THR A 60 -9.965 5.674 -6.599 1.00 52.14 H new ATOM 999 N GLU A 61 -7.871 4.124 -3.438 1.00 74.52 N ATOM 1000 CA GLU A 61 -7.635 4.892 -2.238 1.00 43.23 C ATOM 1001 C GLU A 61 -6.165 5.192 -2.057 1.00 63.24 C ATOM 1002 O GLU A 61 -5.796 6.218 -1.481 1.00 4.51 O ATOM 1003 CB GLU A 61 -8.212 4.229 -1.007 1.00 11.52 C ATOM 1004 CG GLU A 61 -9.698 4.086 -1.068 1.00 31.21 C ATOM 1005 CD GLU A 61 -10.311 3.832 0.268 1.00 74.31 C ATOM 1006 OE1 GLU A 61 -10.386 4.769 1.063 1.00 35.45 O ATOM 1007 OE2 GLU A 61 -10.782 2.708 0.531 1.00 51.20 O ATOM 0 H GLU A 61 -8.131 3.149 -3.289 1.00 74.52 H new ATOM 0 HA GLU A 61 -8.160 5.839 -2.364 1.00 43.23 H new ATOM 0 HB2 GLU A 61 -7.762 3.244 -0.886 1.00 11.52 H new ATOM 0 HB3 GLU A 61 -7.944 4.813 -0.126 1.00 11.52 H new ATOM 0 HG2 GLU A 61 -10.128 4.993 -1.493 1.00 31.21 H new ATOM 0 HG3 GLU A 61 -9.952 3.267 -1.741 1.00 31.21 H new ATOM 1014 N VAL A 62 -5.334 4.318 -2.577 1.00 74.00 N ATOM 1015 CA VAL A 62 -3.901 4.505 -2.537 1.00 74.11 C ATOM 1016 C VAL A 62 -3.501 5.622 -3.509 1.00 74.13 C ATOM 1017 O VAL A 62 -2.729 6.518 -3.162 1.00 11.20 O ATOM 1018 CB VAL A 62 -3.161 3.194 -2.873 1.00 14.30 C ATOM 1019 CG1 VAL A 62 -1.673 3.381 -2.778 1.00 62.11 C ATOM 1020 CG2 VAL A 62 -3.595 2.100 -1.925 1.00 64.35 C ATOM 0 H VAL A 62 -5.631 3.459 -3.039 1.00 74.00 H new ATOM 0 HA VAL A 62 -3.613 4.794 -1.526 1.00 74.11 H new ATOM 0 HB VAL A 62 -3.412 2.912 -3.895 1.00 14.30 H new ATOM 0 HG11 VAL A 62 -1.172 2.443 -3.019 1.00 62.11 H new ATOM 0 HG12 VAL A 62 -1.358 4.152 -3.481 1.00 62.11 H new ATOM 0 HG13 VAL A 62 -1.408 3.684 -1.765 1.00 62.11 H new ATOM 0 HG21 VAL A 62 -3.068 1.177 -2.169 1.00 64.35 H new ATOM 0 HG22 VAL A 62 -3.361 2.392 -0.901 1.00 64.35 H new ATOM 0 HG23 VAL A 62 -4.669 1.941 -2.021 1.00 64.35 H new ATOM 1030 N ALA A 63 -4.083 5.593 -4.707 1.00 4.24 N ATOM 1031 CA ALA A 63 -3.867 6.639 -5.711 1.00 52.41 C ATOM 1032 C ALA A 63 -4.393 7.960 -5.192 1.00 2.31 C ATOM 1033 O ALA A 63 -3.858 9.001 -5.473 1.00 33.25 O ATOM 1034 CB ALA A 63 -4.540 6.277 -7.030 1.00 71.31 C ATOM 0 H ALA A 63 -4.713 4.850 -5.010 1.00 4.24 H new ATOM 0 HA ALA A 63 -2.797 6.729 -5.897 1.00 52.41 H new ATOM 0 HB1 ALA A 63 -4.365 7.069 -7.758 1.00 71.31 H new ATOM 0 HB2 ALA A 63 -4.125 5.341 -7.405 1.00 71.31 H new ATOM 0 HB3 ALA A 63 -5.612 6.161 -6.872 1.00 71.31 H new ATOM 1040 N ASN A 64 -5.450 7.865 -4.432 1.00 62.30 N ATOM 1041 CA ASN A 64 -6.089 8.977 -3.743 1.00 53.51 C ATOM 1042 C ASN A 64 -5.222 9.529 -2.628 1.00 10.42 C ATOM 1043 O ASN A 64 -5.298 10.712 -2.309 1.00 54.42 O ATOM 1044 CB ASN A 64 -7.432 8.503 -3.215 1.00 5.43 C ATOM 1045 CG ASN A 64 -7.952 9.205 -1.978 1.00 41.03 C ATOM 1046 OD1 ASN A 64 -8.636 10.213 -2.059 1.00 24.34 O ATOM 1047 ND2 ASN A 64 -7.666 8.636 -0.828 1.00 54.03 N ATOM 0 H ASN A 64 -5.918 6.975 -4.262 1.00 62.30 H new ATOM 0 HA ASN A 64 -6.235 9.797 -4.446 1.00 53.51 H new ATOM 0 HB2 ASN A 64 -8.171 8.616 -4.008 1.00 5.43 H new ATOM 0 HB3 ASN A 64 -7.358 7.437 -2.998 1.00 5.43 H new ATOM 0 HD21 ASN A 64 -8.019 9.036 0.041 1.00 54.03 H new ATOM 0 HD22 ASN A 64 -7.091 7.794 -0.805 1.00 54.03 H new ATOM 1054 N LEU A 65 -4.415 8.699 -2.031 1.00 15.53 N ATOM 1055 CA LEU A 65 -3.557 9.164 -0.996 1.00 73.33 C ATOM 1056 C LEU A 65 -2.396 9.900 -1.639 1.00 52.52 C ATOM 1057 O LEU A 65 -2.060 11.023 -1.269 1.00 31.23 O ATOM 1058 CB LEU A 65 -2.993 8.016 -0.161 1.00 64.01 C ATOM 1059 CG LEU A 65 -2.944 8.253 1.354 1.00 15.25 C ATOM 1060 CD1 LEU A 65 -2.917 9.694 1.701 1.00 33.42 C ATOM 1061 CD2 LEU A 65 -4.066 7.591 2.048 1.00 63.13 C ATOM 0 H LEU A 65 -4.338 7.705 -2.246 1.00 15.53 H new ATOM 0 HA LEU A 65 -4.136 9.811 -0.337 1.00 73.33 H new ATOM 0 HB2 LEU A 65 -3.592 7.125 -0.351 1.00 64.01 H new ATOM 0 HB3 LEU A 65 -1.983 7.801 -0.509 1.00 64.01 H new ATOM 0 HG LEU A 65 -2.010 7.807 1.696 1.00 15.25 H new ATOM 0 HD11 LEU A 65 -2.883 9.807 2.785 1.00 33.42 H new ATOM 0 HD12 LEU A 65 -2.035 10.158 1.260 1.00 33.42 H new ATOM 0 HD13 LEU A 65 -3.814 10.178 1.314 1.00 33.42 H new ATOM 0 HD21 LEU A 65 -3.995 7.783 3.119 1.00 63.13 H new ATOM 0 HD22 LEU A 65 -5.010 7.984 1.670 1.00 63.13 H new ATOM 0 HD23 LEU A 65 -4.022 6.517 1.868 1.00 63.13 H new ATOM 1073 N PHE A 66 -1.828 9.281 -2.639 1.00 52.02 N ATOM 1074 CA PHE A 66 -0.667 9.814 -3.301 1.00 13.01 C ATOM 1075 C PHE A 66 -1.064 10.427 -4.641 1.00 31.25 C ATOM 1076 O PHE A 66 -0.454 10.136 -5.678 1.00 52.03 O ATOM 1077 CB PHE A 66 0.365 8.700 -3.520 1.00 23.44 C ATOM 1078 CG PHE A 66 0.648 7.854 -2.308 1.00 62.13 C ATOM 1079 CD1 PHE A 66 0.983 8.433 -1.100 1.00 72.13 C ATOM 1080 CD2 PHE A 66 0.589 6.476 -2.388 1.00 11.05 C ATOM 1081 CE1 PHE A 66 1.251 7.658 0.003 1.00 20.31 C ATOM 1082 CE2 PHE A 66 0.856 5.694 -1.288 1.00 61.11 C ATOM 1083 CZ PHE A 66 1.188 6.287 -0.090 1.00 73.11 C ATOM 0 H PHE A 66 -2.157 8.393 -3.018 1.00 52.02 H new ATOM 0 HA PHE A 66 -0.227 10.590 -2.675 1.00 13.01 H new ATOM 0 HB2 PHE A 66 0.015 8.052 -4.324 1.00 23.44 H new ATOM 0 HB3 PHE A 66 1.299 9.150 -3.857 1.00 23.44 H new ATOM 0 HD1 PHE A 66 1.035 9.509 -1.021 1.00 72.13 H new ATOM 0 HD2 PHE A 66 0.330 6.007 -3.326 1.00 11.05 H new ATOM 0 HE1 PHE A 66 1.511 8.125 0.942 1.00 20.31 H new ATOM 0 HE2 PHE A 66 0.805 4.618 -1.364 1.00 61.11 H new ATOM 0 HZ PHE A 66 1.399 5.676 0.775 1.00 73.11 H new ATOM 1093 N ARG A 67 -2.087 11.277 -4.625 1.00 21.24 N ATOM 1094 CA ARG A 67 -2.548 11.938 -5.842 1.00 1.24 C ATOM 1095 C ARG A 67 -1.493 12.933 -6.342 1.00 73.34 C ATOM 1096 O ARG A 67 -1.390 14.066 -5.842 1.00 34.42 O ATOM 1097 CB ARG A 67 -3.893 12.665 -5.633 1.00 22.45 C ATOM 1098 CG ARG A 67 -5.011 11.792 -5.185 1.00 13.10 C ATOM 1099 CD ARG A 67 -6.316 12.551 -5.109 1.00 2.00 C ATOM 1100 NE ARG A 67 -6.727 13.060 -6.421 1.00 70.21 N ATOM 1101 CZ ARG A 67 -7.744 12.587 -7.161 1.00 63.35 C ATOM 1102 NH1 ARG A 67 -8.463 11.539 -6.750 1.00 41.31 N ATOM 1103 NH2 ARG A 67 -8.023 13.160 -8.317 1.00 72.54 N ATOM 0 H ARG A 67 -2.611 11.524 -3.785 1.00 21.24 H new ATOM 0 HA ARG A 67 -2.702 11.161 -6.591 1.00 1.24 H new ATOM 0 HB2 ARG A 67 -3.752 13.457 -4.897 1.00 22.45 H new ATOM 0 HB3 ARG A 67 -4.179 13.146 -6.568 1.00 22.45 H new ATOM 0 HG2 ARG A 67 -5.117 10.954 -5.874 1.00 13.10 H new ATOM 0 HG3 ARG A 67 -4.776 11.373 -4.207 1.00 13.10 H new ATOM 0 HD2 ARG A 67 -7.094 11.898 -4.713 1.00 2.00 H new ATOM 0 HD3 ARG A 67 -6.213 13.383 -4.412 1.00 2.00 H new ATOM 0 HE ARG A 67 -6.195 13.841 -6.805 1.00 70.21 H new ATOM 0 HH11 ARG A 67 -8.243 11.086 -5.863 1.00 41.31 H new ATOM 0 HH12 ARG A 67 -9.232 11.192 -7.323 1.00 41.31 H new ATOM 0 HH21 ARG A 67 -7.469 13.953 -8.640 1.00 72.54 H new ATOM 0 HH22 ARG A 67 -8.793 12.810 -8.887 1.00 72.54 H new ATOM 1117 N GLY A 68 -0.686 12.494 -7.262 1.00 21.00 N ATOM 1118 CA GLY A 68 0.339 13.331 -7.813 1.00 53.23 C ATOM 1119 C GLY A 68 1.661 12.628 -7.812 1.00 70.00 C ATOM 1120 O GLY A 68 2.448 12.765 -8.744 1.00 44.24 O ATOM 0 H GLY A 68 -0.719 11.551 -7.650 1.00 21.00 H new ATOM 0 HA2 GLY A 68 0.074 13.614 -8.832 1.00 53.23 H new ATOM 0 HA3 GLY A 68 0.412 14.252 -7.235 1.00 53.23 H new ATOM 1124 N GLN A 69 1.909 11.876 -6.764 1.00 13.11 N ATOM 1125 CA GLN A 69 3.108 11.110 -6.630 1.00 71.21 C ATOM 1126 C GLN A 69 2.987 9.834 -7.453 1.00 1.44 C ATOM 1127 O GLN A 69 2.676 8.759 -6.928 1.00 73.20 O ATOM 1128 CB GLN A 69 3.355 10.748 -5.167 1.00 33.33 C ATOM 1129 CG GLN A 69 3.574 11.921 -4.199 1.00 2.03 C ATOM 1130 CD GLN A 69 2.378 12.848 -3.999 1.00 0.22 C ATOM 1131 OE1 GLN A 69 1.221 12.442 -4.092 1.00 62.43 O ATOM 1132 NE2 GLN A 69 2.648 14.080 -3.698 1.00 55.14 N ATOM 0 H GLN A 69 1.269 11.784 -5.975 1.00 13.11 H new ATOM 0 HA GLN A 69 3.946 11.707 -6.989 1.00 71.21 H new ATOM 0 HB2 GLN A 69 2.505 10.166 -4.811 1.00 33.33 H new ATOM 0 HB3 GLN A 69 4.229 10.098 -5.119 1.00 33.33 H new ATOM 0 HG2 GLN A 69 3.864 11.518 -3.229 1.00 2.03 H new ATOM 0 HG3 GLN A 69 4.414 12.515 -4.561 1.00 2.03 H new ATOM 0 HE21 GLN A 69 3.618 14.387 -3.628 1.00 55.14 H new ATOM 0 HE22 GLN A 69 1.890 14.742 -3.531 1.00 55.14 H new ATOM 1141 N GLU A 70 3.224 9.959 -8.738 1.00 21.15 N ATOM 1142 CA GLU A 70 3.064 8.861 -9.675 1.00 72.21 C ATOM 1143 C GLU A 70 4.101 7.784 -9.425 1.00 60.41 C ATOM 1144 O GLU A 70 3.871 6.603 -9.718 1.00 51.23 O ATOM 1145 CB GLU A 70 3.126 9.377 -11.103 1.00 2.13 C ATOM 1146 CG GLU A 70 2.075 10.435 -11.384 1.00 4.04 C ATOM 1147 CD GLU A 70 2.148 10.977 -12.777 1.00 53.31 C ATOM 1148 OE1 GLU A 70 2.878 11.962 -13.012 1.00 52.43 O ATOM 1149 OE2 GLU A 70 1.460 10.434 -13.669 1.00 1.20 O ATOM 0 H GLU A 70 3.535 10.829 -9.170 1.00 21.15 H new ATOM 0 HA GLU A 70 2.084 8.409 -9.523 1.00 72.21 H new ATOM 0 HB2 GLU A 70 4.115 9.793 -11.293 1.00 2.13 H new ATOM 0 HB3 GLU A 70 2.992 8.544 -11.793 1.00 2.13 H new ATOM 0 HG2 GLU A 70 1.085 10.009 -11.217 1.00 4.04 H new ATOM 0 HG3 GLU A 70 2.193 11.254 -10.675 1.00 4.04 H new ATOM 1156 N ASP A 71 5.224 8.196 -8.845 1.00 34.32 N ATOM 1157 CA ASP A 71 6.306 7.286 -8.449 1.00 23.14 C ATOM 1158 C ASP A 71 5.765 6.233 -7.531 1.00 1.44 C ATOM 1159 O ASP A 71 5.858 5.038 -7.800 1.00 4.14 O ATOM 1160 CB ASP A 71 7.391 8.012 -7.671 1.00 54.11 C ATOM 1161 CG ASP A 71 8.067 9.123 -8.405 1.00 53.24 C ATOM 1162 OD1 ASP A 71 7.573 10.265 -8.350 1.00 22.11 O ATOM 1163 OD2 ASP A 71 9.123 8.888 -9.025 1.00 44.00 O ATOM 0 H ASP A 71 5.415 9.175 -8.633 1.00 34.32 H new ATOM 0 HA ASP A 71 6.718 6.863 -9.365 1.00 23.14 H new ATOM 0 HB2 ASP A 71 6.953 8.415 -6.758 1.00 54.11 H new ATOM 0 HB3 ASP A 71 8.146 7.286 -7.368 1.00 54.11 H new ATOM 1168 N LEU A 72 5.117 6.697 -6.480 1.00 53.32 N ATOM 1169 CA LEU A 72 4.615 5.839 -5.434 1.00 32.14 C ATOM 1170 C LEU A 72 3.519 4.926 -5.947 1.00 62.43 C ATOM 1171 O LEU A 72 3.390 3.798 -5.500 1.00 42.25 O ATOM 1172 CB LEU A 72 4.099 6.662 -4.252 1.00 44.24 C ATOM 1173 CG LEU A 72 5.110 7.596 -3.574 1.00 22.02 C ATOM 1174 CD1 LEU A 72 4.442 8.360 -2.454 1.00 65.20 C ATOM 1175 CD2 LEU A 72 6.302 6.819 -3.041 1.00 31.02 C ATOM 0 H LEU A 72 4.925 7.688 -6.331 1.00 53.32 H new ATOM 0 HA LEU A 72 5.446 5.220 -5.095 1.00 32.14 H new ATOM 0 HB2 LEU A 72 3.257 7.263 -4.596 1.00 44.24 H new ATOM 0 HB3 LEU A 72 3.713 5.974 -3.500 1.00 44.24 H new ATOM 0 HG LEU A 72 5.473 8.302 -4.321 1.00 22.02 H new ATOM 0 HD11 LEU A 72 5.169 9.020 -1.980 1.00 65.20 H new ATOM 0 HD12 LEU A 72 3.622 8.954 -2.857 1.00 65.20 H new ATOM 0 HD13 LEU A 72 4.053 7.658 -1.716 1.00 65.20 H new ATOM 0 HD21 LEU A 72 7.002 7.507 -2.566 1.00 31.02 H new ATOM 0 HD22 LEU A 72 5.961 6.086 -2.310 1.00 31.02 H new ATOM 0 HD23 LEU A 72 6.800 6.306 -3.864 1.00 31.02 H new ATOM 1187 N LEU A 73 2.780 5.405 -6.920 1.00 30.34 N ATOM 1188 CA LEU A 73 1.663 4.661 -7.486 1.00 12.24 C ATOM 1189 C LEU A 73 2.188 3.541 -8.377 1.00 11.14 C ATOM 1190 O LEU A 73 1.590 2.465 -8.479 1.00 50.24 O ATOM 1191 CB LEU A 73 0.762 5.618 -8.277 1.00 62.11 C ATOM 1192 CG LEU A 73 0.285 6.860 -7.503 1.00 54.44 C ATOM 1193 CD1 LEU A 73 -0.576 7.767 -8.347 1.00 53.41 C ATOM 1194 CD2 LEU A 73 -0.444 6.477 -6.240 1.00 43.50 C ATOM 0 H LEU A 73 2.930 6.320 -7.346 1.00 30.34 H new ATOM 0 HA LEU A 73 1.074 4.212 -6.686 1.00 12.24 H new ATOM 0 HB2 LEU A 73 1.301 5.948 -9.165 1.00 62.11 H new ATOM 0 HB3 LEU A 73 -0.113 5.066 -8.622 1.00 62.11 H new ATOM 0 HG LEU A 73 1.183 7.415 -7.232 1.00 54.44 H new ATOM 0 HD11 LEU A 73 -0.887 8.628 -7.755 1.00 53.41 H new ATOM 0 HD12 LEU A 73 -0.007 8.107 -9.212 1.00 53.41 H new ATOM 0 HD13 LEU A 73 -1.457 7.222 -8.684 1.00 53.41 H new ATOM 0 HD21 LEU A 73 -0.767 7.378 -5.719 1.00 43.50 H new ATOM 0 HD22 LEU A 73 -1.315 5.872 -6.492 1.00 43.50 H new ATOM 0 HD23 LEU A 73 0.222 5.904 -5.595 1.00 43.50 H new ATOM 1206 N SER A 74 3.334 3.785 -8.978 1.00 52.35 N ATOM 1207 CA SER A 74 3.973 2.809 -9.825 1.00 41.43 C ATOM 1208 C SER A 74 4.648 1.742 -8.954 1.00 25.53 C ATOM 1209 O SER A 74 4.452 0.540 -9.148 1.00 61.42 O ATOM 1210 CB SER A 74 5.001 3.505 -10.719 1.00 0.40 C ATOM 1211 OG SER A 74 4.393 4.549 -11.474 1.00 45.14 O ATOM 0 H SER A 74 3.845 4.664 -8.891 1.00 52.35 H new ATOM 0 HA SER A 74 3.230 2.325 -10.459 1.00 41.43 H new ATOM 0 HB2 SER A 74 5.804 3.914 -10.106 1.00 0.40 H new ATOM 0 HB3 SER A 74 5.453 2.778 -11.394 1.00 0.40 H new ATOM 0 HG SER A 74 4.116 5.270 -10.871 1.00 45.14 H new ATOM 1217 N GLU A 75 5.393 2.192 -7.953 1.00 63.13 N ATOM 1218 CA GLU A 75 6.102 1.290 -7.054 1.00 10.31 C ATOM 1219 C GLU A 75 5.119 0.459 -6.219 1.00 13.12 C ATOM 1220 O GLU A 75 5.414 -0.672 -5.843 1.00 71.14 O ATOM 1221 CB GLU A 75 7.073 2.075 -6.172 1.00 64.24 C ATOM 1222 CG GLU A 75 8.102 2.860 -6.977 1.00 23.02 C ATOM 1223 CD GLU A 75 9.052 3.666 -6.130 1.00 24.42 C ATOM 1224 OE1 GLU A 75 8.682 4.760 -5.671 1.00 15.14 O ATOM 1225 OE2 GLU A 75 10.226 3.227 -5.934 1.00 51.51 O ATOM 0 H GLU A 75 5.523 3.182 -7.742 1.00 63.13 H new ATOM 0 HA GLU A 75 6.685 0.590 -7.652 1.00 10.31 H new ATOM 0 HB2 GLU A 75 6.509 2.764 -5.543 1.00 64.24 H new ATOM 0 HB3 GLU A 75 7.590 1.385 -5.505 1.00 64.24 H new ATOM 0 HG2 GLU A 75 8.677 2.165 -7.590 1.00 23.02 H new ATOM 0 HG3 GLU A 75 7.580 3.531 -7.660 1.00 23.02 H new ATOM 1232 N PHE A 76 3.936 1.015 -5.977 1.00 4.44 N ATOM 1233 CA PHE A 76 2.882 0.322 -5.249 1.00 74.21 C ATOM 1234 C PHE A 76 2.451 -0.932 -6.000 1.00 31.12 C ATOM 1235 O PHE A 76 2.309 -1.997 -5.411 1.00 72.33 O ATOM 1236 CB PHE A 76 1.675 1.245 -5.033 1.00 33.21 C ATOM 1237 CG PHE A 76 0.564 0.613 -4.255 1.00 51.33 C ATOM 1238 CD1 PHE A 76 0.720 0.343 -2.910 1.00 74.41 C ATOM 1239 CD2 PHE A 76 -0.633 0.286 -4.867 1.00 71.53 C ATOM 1240 CE1 PHE A 76 -0.289 -0.245 -2.187 1.00 30.14 C ATOM 1241 CE2 PHE A 76 -1.656 -0.306 -4.147 1.00 31.03 C ATOM 1242 CZ PHE A 76 -1.478 -0.573 -2.801 1.00 13.24 C ATOM 0 H PHE A 76 3.683 1.956 -6.279 1.00 4.44 H new ATOM 0 HA PHE A 76 3.277 0.031 -4.276 1.00 74.21 H new ATOM 0 HB2 PHE A 76 2.005 2.144 -4.512 1.00 33.21 H new ATOM 0 HB3 PHE A 76 1.293 1.561 -6.004 1.00 33.21 H new ATOM 0 HD1 PHE A 76 1.648 0.598 -2.420 1.00 74.41 H new ATOM 0 HD2 PHE A 76 -0.771 0.495 -5.918 1.00 71.53 H new ATOM 0 HE1 PHE A 76 -0.150 -0.451 -1.136 1.00 30.14 H new ATOM 0 HE2 PHE A 76 -2.587 -0.558 -4.633 1.00 31.03 H new ATOM 0 HZ PHE A 76 -2.270 -1.038 -2.233 1.00 13.24 H new