USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= -0.126 X(o=-0.78,f=-0.56) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.655 K(o=-0.78,f=-2.3) USER MOD Single : A 12 SER OG : rot 36:sc= 0.0742 USER MOD Single : A 13 TYR OH : rot 114:sc= 0.988 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= 0.473 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 30 SER OG : rot 69:sc= 0.953 USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.894 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 64 ASN : amide:sc= 1.22 K(o=1.2,f=-7.2!) USER MOD Single : A 69 GLN : amide:sc= -1.95! C(o=-1.9!,f=-8.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 11.855 0.988 0.306 1.00 32.13 N ATOM 159 CA SER A 12 12.345 2.173 -0.390 1.00 74.31 C ATOM 160 C SER A 12 11.151 3.051 -0.807 1.00 51.24 C ATOM 161 O SER A 12 11.177 4.277 -0.666 1.00 52.45 O ATOM 162 CB SER A 12 13.198 1.767 -1.587 1.00 3.41 C ATOM 163 OG SER A 12 14.325 1.014 -1.150 1.00 62.04 O ATOM 0 HA SER A 12 12.980 2.758 0.276 1.00 74.31 H new ATOM 0 HB2 SER A 12 12.604 1.176 -2.284 1.00 3.41 H new ATOM 0 HB3 SER A 12 13.530 2.655 -2.125 1.00 3.41 H new ATOM 0 HG SER A 12 14.067 0.449 -0.392 1.00 62.04 H new ATOM 169 N TYR A 13 10.098 2.388 -1.253 1.00 71.34 N ATOM 170 CA TYR A 13 8.827 3.010 -1.562 1.00 3.20 C ATOM 171 C TYR A 13 8.236 3.676 -0.305 1.00 24.11 C ATOM 172 O TYR A 13 7.809 4.826 -0.346 1.00 40.21 O ATOM 173 CB TYR A 13 7.884 1.934 -2.161 1.00 52.12 C ATOM 174 CG TYR A 13 6.399 2.142 -1.947 1.00 44.11 C ATOM 175 CD1 TYR A 13 5.707 3.114 -2.621 1.00 35.25 C ATOM 176 CD2 TYR A 13 5.696 1.343 -1.047 1.00 63.11 C ATOM 177 CE1 TYR A 13 4.360 3.297 -2.412 1.00 73.32 C ATOM 178 CE2 TYR A 13 4.349 1.522 -0.834 1.00 21.24 C ATOM 179 CZ TYR A 13 3.686 2.504 -1.524 1.00 71.23 C ATOM 180 OH TYR A 13 2.345 2.703 -1.319 1.00 41.23 O ATOM 0 H TYR A 13 10.105 1.381 -1.413 1.00 71.34 H new ATOM 0 HA TYR A 13 8.958 3.802 -2.299 1.00 3.20 H new ATOM 0 HB2 TYR A 13 8.069 1.877 -3.234 1.00 52.12 H new ATOM 0 HB3 TYR A 13 8.157 0.967 -1.738 1.00 52.12 H new ATOM 0 HD1 TYR A 13 6.227 3.745 -3.326 1.00 35.25 H new ATOM 0 HD2 TYR A 13 6.219 0.568 -0.506 1.00 63.11 H new ATOM 0 HE1 TYR A 13 3.832 4.070 -2.951 1.00 73.32 H new ATOM 0 HE2 TYR A 13 3.819 0.896 -0.131 1.00 21.24 H new ATOM 0 HH TYR A 13 1.845 1.925 -1.644 1.00 41.23 H new ATOM 190 N VAL A 14 8.250 2.953 0.797 1.00 44.41 N ATOM 191 CA VAL A 14 7.747 3.442 2.063 1.00 35.31 C ATOM 192 C VAL A 14 8.558 4.635 2.568 1.00 2.51 C ATOM 193 O VAL A 14 7.984 5.637 2.959 1.00 73.32 O ATOM 194 CB VAL A 14 7.673 2.329 3.144 1.00 41.52 C ATOM 195 CG1 VAL A 14 7.269 2.922 4.474 1.00 64.03 C ATOM 196 CG2 VAL A 14 6.665 1.261 2.742 1.00 15.12 C ATOM 0 H VAL A 14 8.614 2.001 0.838 1.00 44.41 H new ATOM 0 HA VAL A 14 6.727 3.778 1.877 1.00 35.31 H new ATOM 0 HB VAL A 14 8.659 1.873 3.233 1.00 41.52 H new ATOM 0 HG11 VAL A 14 7.220 2.133 5.224 1.00 64.03 H new ATOM 0 HG12 VAL A 14 8.004 3.667 4.778 1.00 64.03 H new ATOM 0 HG13 VAL A 14 6.291 3.394 4.380 1.00 64.03 H new ATOM 0 HG21 VAL A 14 6.626 0.489 3.511 1.00 15.12 H new ATOM 0 HG22 VAL A 14 5.680 1.714 2.632 1.00 15.12 H new ATOM 0 HG23 VAL A 14 6.967 0.814 1.795 1.00 15.12 H new ATOM 206 N ASN A 15 9.886 4.525 2.551 1.00 74.22 N ATOM 207 CA ASN A 15 10.776 5.605 2.938 1.00 70.42 C ATOM 208 C ASN A 15 10.476 6.872 2.144 1.00 42.31 C ATOM 209 O ASN A 15 10.553 7.995 2.687 1.00 3.13 O ATOM 210 CB ASN A 15 12.199 5.187 2.675 1.00 3.31 C ATOM 211 CG ASN A 15 13.178 6.188 3.194 1.00 43.35 C ATOM 212 OD1 ASN A 15 13.563 7.127 2.500 1.00 62.23 O ATOM 213 ND2 ASN A 15 13.602 6.002 4.390 1.00 11.44 N ATOM 0 H ASN A 15 10.372 3.675 2.265 1.00 74.22 H new ATOM 0 HA ASN A 15 10.627 5.815 3.997 1.00 70.42 H new ATOM 0 HB2 ASN A 15 12.386 4.220 3.143 1.00 3.31 H new ATOM 0 HB3 ASN A 15 12.347 5.056 1.603 1.00 3.31 H new ATOM 0 HD21 ASN A 15 14.282 6.645 4.796 1.00 11.44 H new ATOM 0 HD22 ASN A 15 13.259 5.211 4.935 1.00 11.44 H new ATOM 220 N LYS A 16 10.161 6.695 0.862 1.00 23.21 N ATOM 221 CA LYS A 16 9.731 7.812 0.028 1.00 2.20 C ATOM 222 C LYS A 16 8.518 8.457 0.663 1.00 34.14 C ATOM 223 O LYS A 16 8.517 9.641 0.897 1.00 0.51 O ATOM 224 CB LYS A 16 9.335 7.389 -1.385 1.00 21.14 C ATOM 225 CG LYS A 16 10.403 6.875 -2.311 1.00 43.10 C ATOM 226 CD LYS A 16 9.713 6.435 -3.591 1.00 3.22 C ATOM 227 CE LYS A 16 10.636 5.815 -4.599 1.00 51.51 C ATOM 228 NZ LYS A 16 11.506 6.797 -5.298 1.00 11.45 N ATOM 0 H LYS A 16 10.195 5.795 0.383 1.00 23.21 H new ATOM 0 HA LYS A 16 10.578 8.494 -0.045 1.00 2.20 H new ATOM 0 HB2 LYS A 16 8.573 6.614 -1.297 1.00 21.14 H new ATOM 0 HB3 LYS A 16 8.864 8.246 -1.867 1.00 21.14 H new ATOM 0 HG2 LYS A 16 11.139 7.652 -2.518 1.00 43.10 H new ATOM 0 HG3 LYS A 16 10.938 6.041 -1.856 1.00 43.10 H new ATOM 0 HD2 LYS A 16 8.930 5.719 -3.342 1.00 3.22 H new ATOM 0 HD3 LYS A 16 9.224 7.298 -4.043 1.00 3.22 H new ATOM 0 HE2 LYS A 16 11.264 5.079 -4.098 1.00 51.51 H new ATOM 0 HE3 LYS A 16 10.043 5.277 -5.339 1.00 51.51 H new ATOM 0 HZ1 LYS A 16 12.358 6.316 -5.651 1.00 11.45 H new ATOM 0 HZ2 LYS A 16 10.987 7.213 -6.098 1.00 11.45 H new ATOM 0 HZ3 LYS A 16 11.782 7.549 -4.635 1.00 11.45 H new ATOM 242 N ILE A 17 7.507 7.637 0.980 1.00 22.32 N ATOM 243 CA ILE A 17 6.264 8.091 1.585 1.00 33.24 C ATOM 244 C ILE A 17 6.553 8.883 2.854 1.00 50.42 C ATOM 245 O ILE A 17 6.067 10.004 3.013 1.00 63.14 O ATOM 246 CB ILE A 17 5.354 6.901 1.970 1.00 21.43 C ATOM 247 CG1 ILE A 17 5.067 5.995 0.772 1.00 21.24 C ATOM 248 CG2 ILE A 17 4.065 7.412 2.556 1.00 31.53 C ATOM 249 CD1 ILE A 17 4.244 4.770 1.117 1.00 22.33 C ATOM 0 H ILE A 17 7.537 6.630 0.819 1.00 22.32 H new ATOM 0 HA ILE A 17 5.759 8.714 0.847 1.00 33.24 H new ATOM 0 HB ILE A 17 5.881 6.304 2.714 1.00 21.43 H new ATOM 0 HG12 ILE A 17 4.543 6.571 0.010 1.00 21.24 H new ATOM 0 HG13 ILE A 17 6.013 5.675 0.335 1.00 21.24 H new ATOM 0 HG21 ILE A 17 3.428 6.569 2.825 1.00 31.53 H new ATOM 0 HG22 ILE A 17 4.279 8.004 3.446 1.00 31.53 H new ATOM 0 HG23 ILE A 17 3.553 8.034 1.822 1.00 31.53 H new ATOM 0 HD11 ILE A 17 4.081 4.176 0.218 1.00 22.33 H new ATOM 0 HD12 ILE A 17 4.776 4.171 1.856 1.00 22.33 H new ATOM 0 HD13 ILE A 17 3.283 5.081 1.526 1.00 22.33 H new ATOM 261 N LYS A 18 7.371 8.284 3.733 1.00 12.11 N ATOM 262 CA LYS A 18 7.759 8.875 5.004 1.00 23.43 C ATOM 263 C LYS A 18 8.257 10.308 4.795 1.00 21.25 C ATOM 264 O LYS A 18 7.828 11.208 5.455 1.00 34.11 O ATOM 265 CB LYS A 18 8.892 8.039 5.649 1.00 21.10 C ATOM 266 CG LYS A 18 8.569 6.568 5.778 1.00 33.21 C ATOM 267 CD LYS A 18 9.579 5.794 6.570 1.00 3.21 C ATOM 268 CE LYS A 18 9.197 5.857 8.004 1.00 41.43 C ATOM 269 NZ LYS A 18 10.082 5.051 8.870 1.00 54.23 N ATOM 0 H LYS A 18 7.782 7.365 3.570 1.00 12.11 H new ATOM 0 HA LYS A 18 6.888 8.886 5.659 1.00 23.43 H new ATOM 0 HB2 LYS A 18 9.798 8.151 5.053 1.00 21.10 H new ATOM 0 HB3 LYS A 18 9.109 8.442 6.638 1.00 21.10 H new ATOM 0 HG2 LYS A 18 7.592 6.460 6.249 1.00 33.21 H new ATOM 0 HG3 LYS A 18 8.492 6.134 4.781 1.00 33.21 H new ATOM 0 HD2 LYS A 18 9.614 4.758 6.232 1.00 3.21 H new ATOM 0 HD3 LYS A 18 10.576 6.211 6.424 1.00 3.21 H new ATOM 0 HE2 LYS A 18 9.220 6.895 8.336 1.00 41.43 H new ATOM 0 HE3 LYS A 18 8.170 5.508 8.117 1.00 41.43 H new ATOM 0 HZ1 LYS A 18 9.769 5.132 9.858 1.00 54.23 H new ATOM 0 HZ2 LYS A 18 10.042 4.054 8.575 1.00 54.23 H new ATOM 0 HZ3 LYS A 18 11.059 5.398 8.787 1.00 54.23 H new ATOM 283 N THR A 19 9.146 10.462 3.837 1.00 3.23 N ATOM 284 CA THR A 19 9.794 11.693 3.472 1.00 71.13 C ATOM 285 C THR A 19 8.856 12.673 2.700 1.00 2.45 C ATOM 286 O THR A 19 8.856 13.885 2.931 1.00 5.42 O ATOM 287 CB THR A 19 10.958 11.267 2.563 1.00 5.41 C ATOM 288 OG1 THR A 19 11.941 10.513 3.280 1.00 54.14 O ATOM 289 CG2 THR A 19 11.553 12.393 1.785 1.00 35.12 C ATOM 0 H THR A 19 9.451 9.679 3.259 1.00 3.23 H new ATOM 0 HA THR A 19 10.109 12.234 4.364 1.00 71.13 H new ATOM 0 HB THR A 19 10.527 10.604 1.813 1.00 5.41 H new ATOM 0 HG1 THR A 19 11.720 9.559 3.233 1.00 54.14 H new ATOM 0 HG21 THR A 19 12.368 12.017 1.167 1.00 35.12 H new ATOM 0 HG22 THR A 19 10.789 12.838 1.147 1.00 35.12 H new ATOM 0 HG23 THR A 19 11.937 13.147 2.472 1.00 35.12 H new ATOM 297 N ARG A 20 8.098 12.139 1.789 1.00 14.54 N ATOM 298 CA ARG A 20 7.251 12.917 0.896 1.00 51.30 C ATOM 299 C ARG A 20 6.048 13.486 1.588 1.00 14.20 C ATOM 300 O ARG A 20 5.425 14.432 1.107 1.00 21.44 O ATOM 301 CB ARG A 20 6.860 12.035 -0.270 1.00 4.25 C ATOM 302 CG ARG A 20 8.007 11.815 -1.264 1.00 53.33 C ATOM 303 CD ARG A 20 8.173 12.978 -2.236 1.00 71.45 C ATOM 304 NE ARG A 20 8.494 14.256 -1.588 1.00 52.44 N ATOM 305 CZ ARG A 20 7.977 15.441 -1.953 1.00 23.01 C ATOM 306 NH1 ARG A 20 7.043 15.514 -2.913 1.00 74.44 N ATOM 307 NH2 ARG A 20 8.380 16.537 -1.341 1.00 55.22 N ATOM 0 H ARG A 20 8.041 11.133 1.632 1.00 14.54 H new ATOM 0 HA ARG A 20 7.812 13.781 0.540 1.00 51.30 H new ATOM 0 HB2 ARG A 20 6.524 11.070 0.108 1.00 4.25 H new ATOM 0 HB3 ARG A 20 6.015 12.485 -0.792 1.00 4.25 H new ATOM 0 HG2 ARG A 20 8.937 11.671 -0.714 1.00 53.33 H new ATOM 0 HG3 ARG A 20 7.824 10.899 -1.827 1.00 53.33 H new ATOM 0 HD2 ARG A 20 8.963 12.734 -2.947 1.00 71.45 H new ATOM 0 HD3 ARG A 20 7.253 13.094 -2.809 1.00 71.45 H new ATOM 0 HE ARG A 20 9.153 14.243 -0.809 1.00 52.44 H new ATOM 0 HH11 ARG A 20 6.718 14.664 -3.374 1.00 74.44 H new ATOM 0 HH12 ARG A 20 6.658 16.419 -3.182 1.00 74.44 H new ATOM 0 HH21 ARG A 20 9.077 16.480 -0.599 1.00 55.22 H new ATOM 0 HH22 ARG A 20 7.994 17.442 -1.610 1.00 55.22 H new ATOM 321 N PHE A 21 5.725 12.899 2.695 1.00 0.11 N ATOM 322 CA PHE A 21 4.620 13.307 3.513 1.00 44.43 C ATOM 323 C PHE A 21 5.127 13.390 4.933 1.00 1.12 C ATOM 324 O PHE A 21 4.421 13.119 5.902 1.00 55.40 O ATOM 325 CB PHE A 21 3.489 12.292 3.381 1.00 74.13 C ATOM 326 CG PHE A 21 3.033 12.101 1.958 1.00 2.42 C ATOM 327 CD1 PHE A 21 2.089 12.939 1.392 1.00 70.43 C ATOM 328 CD2 PHE A 21 3.551 11.080 1.189 1.00 53.44 C ATOM 329 CE1 PHE A 21 1.676 12.758 0.091 1.00 52.31 C ATOM 330 CE2 PHE A 21 3.147 10.895 -0.095 1.00 54.02 C ATOM 331 CZ PHE A 21 2.206 11.734 -0.656 1.00 3.22 C ATOM 0 H PHE A 21 6.235 12.099 3.069 1.00 0.11 H new ATOM 0 HA PHE A 21 4.225 14.276 3.206 1.00 44.43 H new ATOM 0 HB2 PHE A 21 3.819 11.334 3.783 1.00 74.13 H new ATOM 0 HB3 PHE A 21 2.644 12.617 3.987 1.00 74.13 H new ATOM 0 HD1 PHE A 21 1.671 13.745 1.977 1.00 70.43 H new ATOM 0 HD2 PHE A 21 4.290 10.417 1.614 1.00 53.44 H new ATOM 0 HE1 PHE A 21 0.938 13.418 -0.341 1.00 52.31 H new ATOM 0 HE2 PHE A 21 3.564 10.088 -0.679 1.00 54.02 H new ATOM 0 HZ PHE A 21 1.888 11.586 -1.677 1.00 3.22 H new ATOM 341 N LEU A 22 6.366 13.826 5.031 1.00 53.55 N ATOM 342 CA LEU A 22 7.089 13.925 6.278 1.00 41.41 C ATOM 343 C LEU A 22 6.445 14.981 7.165 1.00 53.12 C ATOM 344 O LEU A 22 6.454 14.884 8.394 1.00 34.23 O ATOM 345 CB LEU A 22 8.563 14.283 5.971 1.00 22.42 C ATOM 346 CG LEU A 22 9.646 13.421 6.583 1.00 31.24 C ATOM 347 CD1 LEU A 22 11.026 13.977 6.278 1.00 71.53 C ATOM 348 CD2 LEU A 22 9.439 13.289 8.035 1.00 74.30 C ATOM 0 H LEU A 22 6.910 14.129 4.223 1.00 53.55 H new ATOM 0 HA LEU A 22 7.057 12.974 6.809 1.00 41.41 H new ATOM 0 HB2 LEU A 22 8.693 14.264 4.889 1.00 22.42 H new ATOM 0 HB3 LEU A 22 8.731 15.310 6.294 1.00 22.42 H new ATOM 0 HG LEU A 22 9.584 12.429 6.136 1.00 31.24 H new ATOM 0 HD11 LEU A 22 11.784 13.337 6.730 1.00 71.53 H new ATOM 0 HD12 LEU A 22 11.175 14.009 5.199 1.00 71.53 H new ATOM 0 HD13 LEU A 22 11.111 14.984 6.686 1.00 71.53 H new ATOM 0 HD21 LEU A 22 10.226 12.666 8.460 1.00 74.30 H new ATOM 0 HD22 LEU A 22 9.467 14.275 8.498 1.00 74.30 H new ATOM 0 HD23 LEU A 22 8.470 12.827 8.224 1.00 74.30 H new ATOM 360 N ASP A 23 5.854 15.964 6.523 1.00 74.32 N ATOM 361 CA ASP A 23 5.191 17.072 7.183 1.00 11.12 C ATOM 362 C ASP A 23 3.753 16.754 7.490 1.00 25.20 C ATOM 363 O ASP A 23 3.069 17.519 8.165 1.00 64.20 O ATOM 364 CB ASP A 23 5.213 18.300 6.289 1.00 34.32 C ATOM 365 CG ASP A 23 6.563 18.937 6.153 1.00 14.45 C ATOM 366 OD1 ASP A 23 7.342 18.528 5.268 1.00 65.03 O ATOM 367 OD2 ASP A 23 6.871 19.884 6.924 1.00 42.12 O ATOM 0 H ASP A 23 5.819 16.019 5.505 1.00 74.32 H new ATOM 0 HA ASP A 23 5.728 17.257 8.114 1.00 11.12 H new ATOM 0 HB2 ASP A 23 4.854 18.021 5.298 1.00 34.32 H new ATOM 0 HB3 ASP A 23 4.514 19.037 6.685 1.00 34.32 H new ATOM 372 N HIS A 24 3.286 15.650 6.992 1.00 62.01 N ATOM 373 CA HIS A 24 1.906 15.264 7.158 1.00 52.33 C ATOM 374 C HIS A 24 1.800 13.836 7.655 1.00 41.44 C ATOM 375 O HIS A 24 1.625 12.899 6.869 1.00 33.23 O ATOM 376 CB HIS A 24 1.112 15.462 5.870 1.00 70.24 C ATOM 377 CG HIS A 24 0.902 16.882 5.477 1.00 41.13 C ATOM 378 ND1 HIS A 24 0.460 17.868 6.331 1.00 34.44 N ATOM 379 CD2 HIS A 24 1.097 17.473 4.296 1.00 74.11 C ATOM 380 CE1 HIS A 24 0.408 19.006 5.654 1.00 72.12 C ATOM 381 NE2 HIS A 24 0.786 18.831 4.399 1.00 45.24 N ATOM 0 H HIS A 24 3.846 14.986 6.457 1.00 62.01 H new ATOM 0 HA HIS A 24 1.468 15.916 7.913 1.00 52.33 H new ATOM 0 HB2 HIS A 24 1.628 14.948 5.059 1.00 70.24 H new ATOM 0 HB3 HIS A 24 0.139 14.983 5.983 1.00 70.24 H new ATOM 0 HD2 HIS A 24 1.442 16.978 3.400 1.00 74.11 H new ATOM 0 HE1 HIS A 24 0.098 19.952 6.072 1.00 72.12 H new ATOM 0 HE2 HIS A 24 0.839 19.536 3.664 1.00 45.24 H new ATOM 389 N PRO A 25 1.903 13.659 8.982 1.00 12.30 N ATOM 390 CA PRO A 25 1.953 12.339 9.619 1.00 5.51 C ATOM 391 C PRO A 25 0.741 11.467 9.327 1.00 43.04 C ATOM 392 O PRO A 25 0.881 10.254 9.098 1.00 35.04 O ATOM 393 CB PRO A 25 2.021 12.665 11.110 1.00 35.13 C ATOM 394 CG PRO A 25 2.560 14.044 11.168 1.00 4.24 C ATOM 395 CD PRO A 25 1.989 14.742 9.984 1.00 73.20 C ATOM 0 HA PRO A 25 2.796 11.759 9.244 1.00 5.51 H new ATOM 0 HB2 PRO A 25 1.037 12.605 11.574 1.00 35.13 H new ATOM 0 HB3 PRO A 25 2.667 11.965 11.640 1.00 35.13 H new ATOM 0 HG2 PRO A 25 2.270 14.540 12.094 1.00 4.24 H new ATOM 0 HG3 PRO A 25 3.649 14.042 11.135 1.00 4.24 H new ATOM 0 HD2 PRO A 25 1.011 15.173 10.200 1.00 73.20 H new ATOM 0 HD3 PRO A 25 2.629 15.557 9.646 1.00 73.20 H new ATOM 403 N GLU A 26 -0.429 12.085 9.297 1.00 42.13 N ATOM 404 CA GLU A 26 -1.685 11.385 9.117 1.00 51.31 C ATOM 405 C GLU A 26 -1.720 10.566 7.828 1.00 11.34 C ATOM 406 O GLU A 26 -2.186 9.449 7.832 1.00 12.21 O ATOM 407 CB GLU A 26 -2.841 12.365 9.138 1.00 73.11 C ATOM 408 CG GLU A 26 -2.784 13.370 8.016 1.00 53.52 C ATOM 409 CD GLU A 26 -3.979 14.250 7.962 1.00 51.10 C ATOM 410 OE1 GLU A 26 -4.013 15.262 8.672 1.00 75.11 O ATOM 411 OE2 GLU A 26 -4.907 13.944 7.184 1.00 53.04 O ATOM 0 H GLU A 26 -0.531 13.095 9.398 1.00 42.13 H new ATOM 0 HA GLU A 26 -1.781 10.686 9.948 1.00 51.31 H new ATOM 0 HB2 GLU A 26 -3.779 11.813 9.076 1.00 73.11 H new ATOM 0 HB3 GLU A 26 -2.844 12.893 10.091 1.00 73.11 H new ATOM 0 HG2 GLU A 26 -1.892 13.985 8.132 1.00 53.52 H new ATOM 0 HG3 GLU A 26 -2.686 12.842 7.068 1.00 53.52 H new ATOM 418 N ILE A 27 -1.156 11.120 6.768 1.00 41.53 N ATOM 419 CA ILE A 27 -1.160 10.530 5.431 1.00 72.32 C ATOM 420 C ILE A 27 -0.554 9.142 5.441 1.00 14.53 C ATOM 421 O ILE A 27 -1.082 8.210 4.830 1.00 33.12 O ATOM 422 CB ILE A 27 -0.404 11.474 4.471 1.00 31.55 C ATOM 423 CG1 ILE A 27 -1.190 12.799 4.381 1.00 23.54 C ATOM 424 CG2 ILE A 27 -0.147 10.844 3.102 1.00 61.21 C ATOM 425 CD1 ILE A 27 -0.712 13.760 3.328 1.00 14.41 C ATOM 0 H ILE A 27 -0.669 12.015 6.810 1.00 41.53 H new ATOM 0 HA ILE A 27 -2.188 10.416 5.086 1.00 72.32 H new ATOM 0 HB ILE A 27 0.591 11.672 4.869 1.00 31.55 H new ATOM 0 HG12 ILE A 27 -2.238 12.568 4.190 1.00 23.54 H new ATOM 0 HG13 ILE A 27 -1.145 13.296 5.350 1.00 23.54 H new ATOM 0 HG21 ILE A 27 0.387 11.553 2.470 1.00 61.21 H new ATOM 0 HG22 ILE A 27 0.453 9.942 3.223 1.00 61.21 H new ATOM 0 HG23 ILE A 27 -1.098 10.587 2.636 1.00 61.21 H new ATOM 0 HD11 ILE A 27 -1.330 14.658 3.347 1.00 14.41 H new ATOM 0 HD12 ILE A 27 0.326 14.029 3.525 1.00 14.41 H new ATOM 0 HD13 ILE A 27 -0.785 13.291 2.347 1.00 14.41 H new ATOM 437 N TYR A 28 0.492 9.003 6.206 1.00 43.32 N ATOM 438 CA TYR A 28 1.192 7.758 6.350 1.00 14.52 C ATOM 439 C TYR A 28 0.264 6.731 7.006 1.00 4.23 C ATOM 440 O TYR A 28 0.091 5.624 6.510 1.00 73.43 O ATOM 441 CB TYR A 28 2.383 7.999 7.248 1.00 13.21 C ATOM 442 CG TYR A 28 3.431 6.926 7.253 1.00 42.51 C ATOM 443 CD1 TYR A 28 4.388 6.877 6.258 1.00 43.11 C ATOM 444 CD2 TYR A 28 3.478 5.973 8.262 1.00 34.43 C ATOM 445 CE1 TYR A 28 5.355 5.920 6.262 1.00 10.24 C ATOM 446 CE2 TYR A 28 4.454 5.001 8.271 1.00 63.33 C ATOM 447 CZ TYR A 28 5.394 4.982 7.270 1.00 72.40 C ATOM 448 OH TYR A 28 6.386 4.039 7.282 1.00 32.24 O ATOM 0 H TYR A 28 0.889 9.765 6.756 1.00 43.32 H new ATOM 0 HA TYR A 28 1.514 7.383 5.378 1.00 14.52 H new ATOM 0 HB2 TYR A 28 2.853 8.937 6.951 1.00 13.21 H new ATOM 0 HB3 TYR A 28 2.023 8.132 8.268 1.00 13.21 H new ATOM 0 HD1 TYR A 28 4.368 7.610 5.465 1.00 43.11 H new ATOM 0 HD2 TYR A 28 2.740 5.994 9.050 1.00 34.43 H new ATOM 0 HE1 TYR A 28 6.093 5.896 5.474 1.00 10.24 H new ATOM 0 HE2 TYR A 28 4.480 4.261 9.057 1.00 63.33 H new ATOM 0 HH TYR A 28 6.271 3.453 8.059 1.00 32.24 H new ATOM 458 N ARG A 29 -0.392 7.148 8.087 1.00 0.04 N ATOM 459 CA ARG A 29 -1.228 6.241 8.863 1.00 53.21 C ATOM 460 C ARG A 29 -2.546 5.941 8.148 1.00 64.22 C ATOM 461 O ARG A 29 -3.082 4.826 8.247 1.00 24.22 O ATOM 462 CB ARG A 29 -1.489 6.723 10.322 1.00 30.41 C ATOM 463 CG ARG A 29 -0.265 6.735 11.254 1.00 1.20 C ATOM 464 CD ARG A 29 0.695 7.865 10.934 1.00 51.11 C ATOM 465 NE ARG A 29 1.950 7.779 11.694 1.00 23.53 N ATOM 466 CZ ARG A 29 3.122 8.341 11.335 1.00 15.11 C ATOM 467 NH1 ARG A 29 3.200 9.099 10.239 1.00 1.11 N ATOM 468 NH2 ARG A 29 4.197 8.163 12.086 1.00 35.02 N ATOM 0 H ARG A 29 -0.360 8.104 8.442 1.00 0.04 H new ATOM 0 HA ARG A 29 -0.655 5.317 8.943 1.00 53.21 H new ATOM 0 HB2 ARG A 29 -1.902 7.731 10.283 1.00 30.41 H new ATOM 0 HB3 ARG A 29 -2.252 6.083 10.765 1.00 30.41 H new ATOM 0 HG2 ARG A 29 -0.600 6.828 12.287 1.00 1.20 H new ATOM 0 HG3 ARG A 29 0.259 5.783 11.173 1.00 1.20 H new ATOM 0 HD2 ARG A 29 0.920 7.853 9.868 1.00 51.11 H new ATOM 0 HD3 ARG A 29 0.211 8.818 11.147 1.00 51.11 H new ATOM 0 HE ARG A 29 1.933 7.250 12.566 1.00 23.53 H new ATOM 0 HH11 ARG A 29 2.370 9.256 9.667 1.00 1.11 H new ATOM 0 HH12 ARG A 29 4.090 9.521 9.973 1.00 1.11 H new ATOM 0 HH21 ARG A 29 4.138 7.601 12.935 1.00 35.02 H new ATOM 0 HH22 ARG A 29 5.084 8.588 11.815 1.00 35.02 H new ATOM 482 N SER A 30 -3.059 6.925 7.425 1.00 50.04 N ATOM 483 CA SER A 30 -4.277 6.769 6.651 1.00 64.21 C ATOM 484 C SER A 30 -4.052 5.770 5.522 1.00 41.43 C ATOM 485 O SER A 30 -4.969 5.082 5.092 1.00 73.25 O ATOM 486 CB SER A 30 -4.726 8.120 6.088 1.00 32.53 C ATOM 487 OG SER A 30 -4.890 9.085 7.128 1.00 4.43 O ATOM 0 H SER A 30 -2.641 7.853 7.360 1.00 50.04 H new ATOM 0 HA SER A 30 -5.063 6.390 7.303 1.00 64.21 H new ATOM 0 HB2 SER A 30 -3.991 8.479 5.368 1.00 32.53 H new ATOM 0 HB3 SER A 30 -5.666 7.998 5.550 1.00 32.53 H new ATOM 0 HG SER A 30 -4.014 9.313 7.504 1.00 4.43 H new ATOM 493 N PHE A 31 -2.843 5.735 5.011 1.00 1.34 N ATOM 494 CA PHE A 31 -2.483 4.751 4.032 1.00 42.21 C ATOM 495 C PHE A 31 -2.269 3.368 4.644 1.00 14.42 C ATOM 496 O PHE A 31 -2.730 2.366 4.091 1.00 71.02 O ATOM 497 CB PHE A 31 -1.287 5.195 3.197 1.00 21.43 C ATOM 498 CG PHE A 31 -0.590 4.042 2.532 1.00 55.23 C ATOM 499 CD1 PHE A 31 -1.137 3.430 1.418 1.00 11.44 C ATOM 500 CD2 PHE A 31 0.587 3.539 3.062 1.00 53.53 C ATOM 501 CE1 PHE A 31 -0.522 2.342 0.839 1.00 53.43 C ATOM 502 CE2 PHE A 31 1.209 2.450 2.491 1.00 4.41 C ATOM 503 CZ PHE A 31 0.653 1.848 1.376 1.00 72.43 C ATOM 0 H PHE A 31 -2.094 6.381 5.262 1.00 1.34 H new ATOM 0 HA PHE A 31 -3.333 4.660 3.356 1.00 42.21 H new ATOM 0 HB2 PHE A 31 -1.621 5.901 2.437 1.00 21.43 H new ATOM 0 HB3 PHE A 31 -0.579 5.724 3.835 1.00 21.43 H new ATOM 0 HD1 PHE A 31 -2.057 3.810 0.998 1.00 11.44 H new ATOM 0 HD2 PHE A 31 1.022 4.006 3.933 1.00 53.53 H new ATOM 0 HE1 PHE A 31 -0.957 1.875 -0.033 1.00 53.43 H new ATOM 0 HE2 PHE A 31 2.127 2.068 2.912 1.00 4.41 H new ATOM 0 HZ PHE A 31 1.136 0.993 0.926 1.00 72.43 H new ATOM 513 N LEU A 32 -1.572 3.316 5.780 1.00 52.44 N ATOM 514 CA LEU A 32 -1.249 2.058 6.460 1.00 74.22 C ATOM 515 C LEU A 32 -2.478 1.206 6.668 1.00 54.42 C ATOM 516 O LEU A 32 -2.441 -0.012 6.478 1.00 44.32 O ATOM 517 CB LEU A 32 -0.586 2.336 7.806 1.00 22.14 C ATOM 518 CG LEU A 32 0.801 2.965 7.772 1.00 0.01 C ATOM 519 CD1 LEU A 32 1.264 3.248 9.178 1.00 11.20 C ATOM 520 CD2 LEU A 32 1.798 2.061 7.052 1.00 11.13 C ATOM 0 H LEU A 32 -1.215 4.144 6.256 1.00 52.44 H new ATOM 0 HA LEU A 32 -0.558 1.510 5.820 1.00 74.22 H new ATOM 0 HB2 LEU A 32 -1.242 2.991 8.379 1.00 22.14 H new ATOM 0 HB3 LEU A 32 -0.519 1.395 8.352 1.00 22.14 H new ATOM 0 HG LEU A 32 0.744 3.902 7.218 1.00 0.01 H new ATOM 0 HD11 LEU A 32 2.256 3.698 9.151 1.00 11.20 H new ATOM 0 HD12 LEU A 32 0.567 3.935 9.659 1.00 11.20 H new ATOM 0 HD13 LEU A 32 1.303 2.316 9.743 1.00 11.20 H new ATOM 0 HD21 LEU A 32 2.779 2.536 7.043 1.00 11.13 H new ATOM 0 HD22 LEU A 32 1.862 1.105 7.571 1.00 11.13 H new ATOM 0 HD23 LEU A 32 1.465 1.896 6.027 1.00 11.13 H new ATOM 532 N GLU A 33 -3.575 1.862 6.975 1.00 41.21 N ATOM 533 CA GLU A 33 -4.822 1.200 7.252 1.00 40.11 C ATOM 534 C GLU A 33 -5.342 0.458 6.026 1.00 15.23 C ATOM 535 O GLU A 33 -6.006 -0.544 6.161 1.00 64.00 O ATOM 536 CB GLU A 33 -5.849 2.199 7.744 1.00 32.00 C ATOM 537 CG GLU A 33 -6.494 3.048 6.667 1.00 3.34 C ATOM 538 CD GLU A 33 -7.516 3.974 7.228 1.00 23.25 C ATOM 539 OE1 GLU A 33 -7.156 5.023 7.781 1.00 54.12 O ATOM 540 OE2 GLU A 33 -8.712 3.670 7.138 1.00 63.33 O ATOM 0 H GLU A 33 -3.623 2.879 7.039 1.00 41.21 H new ATOM 0 HA GLU A 33 -4.645 0.463 8.035 1.00 40.11 H new ATOM 0 HB2 GLU A 33 -6.632 1.658 8.275 1.00 32.00 H new ATOM 0 HB3 GLU A 33 -5.371 2.860 8.467 1.00 32.00 H new ATOM 0 HG2 GLU A 33 -5.726 3.624 6.151 1.00 3.34 H new ATOM 0 HG3 GLU A 33 -6.960 2.400 5.924 1.00 3.34 H new ATOM 547 N ILE A 34 -5.003 0.949 4.843 1.00 60.21 N ATOM 548 CA ILE A 34 -5.424 0.376 3.604 1.00 51.35 C ATOM 549 C ILE A 34 -4.674 -0.904 3.366 1.00 15.21 C ATOM 550 O ILE A 34 -5.251 -1.897 2.956 1.00 50.33 O ATOM 551 CB ILE A 34 -5.153 1.362 2.452 1.00 30.13 C ATOM 552 CG1 ILE A 34 -5.970 2.638 2.684 1.00 3.14 C ATOM 553 CG2 ILE A 34 -5.463 0.719 1.099 1.00 2.53 C ATOM 554 CD1 ILE A 34 -5.618 3.778 1.772 1.00 2.22 C ATOM 0 H ILE A 34 -4.415 1.775 4.731 1.00 60.21 H new ATOM 0 HA ILE A 34 -6.493 0.167 3.647 1.00 51.35 H new ATOM 0 HB ILE A 34 -4.096 1.626 2.435 1.00 30.13 H new ATOM 0 HG12 ILE A 34 -7.028 2.404 2.561 1.00 3.14 H new ATOM 0 HG13 ILE A 34 -5.832 2.960 3.716 1.00 3.14 H new ATOM 0 HG21 ILE A 34 -5.264 1.435 0.302 1.00 2.53 H new ATOM 0 HG22 ILE A 34 -4.835 -0.161 0.962 1.00 2.53 H new ATOM 0 HG23 ILE A 34 -6.512 0.424 1.068 1.00 2.53 H new ATOM 0 HD11 ILE A 34 -6.245 4.638 2.007 1.00 2.22 H new ATOM 0 HD12 ILE A 34 -4.570 4.044 1.910 1.00 2.22 H new ATOM 0 HD13 ILE A 34 -5.784 3.480 0.737 1.00 2.22 H new ATOM 566 N LEU A 35 -3.391 -0.886 3.660 1.00 35.52 N ATOM 567 CA LEU A 35 -2.566 -2.037 3.482 1.00 25.34 C ATOM 568 C LEU A 35 -2.984 -3.090 4.512 1.00 30.24 C ATOM 569 O LEU A 35 -3.102 -4.264 4.198 1.00 52.13 O ATOM 570 CB LEU A 35 -1.113 -1.621 3.663 1.00 1.14 C ATOM 571 CG LEU A 35 -0.029 -2.460 2.966 1.00 1.45 C ATOM 572 CD1 LEU A 35 0.056 -3.890 3.495 1.00 43.43 C ATOM 573 CD2 LEU A 35 -0.233 -2.455 1.454 1.00 20.32 C ATOM 0 H LEU A 35 -2.902 -0.070 4.028 1.00 35.52 H new ATOM 0 HA LEU A 35 -2.679 -2.463 2.485 1.00 25.34 H new ATOM 0 HB2 LEU A 35 -1.014 -0.593 3.315 1.00 1.14 H new ATOM 0 HB3 LEU A 35 -0.897 -1.618 4.731 1.00 1.14 H new ATOM 0 HG LEU A 35 0.925 -1.988 3.199 1.00 1.45 H new ATOM 0 HD11 LEU A 35 0.839 -4.429 2.962 1.00 43.43 H new ATOM 0 HD12 LEU A 35 0.288 -3.871 4.560 1.00 43.43 H new ATOM 0 HD13 LEU A 35 -0.899 -4.392 3.341 1.00 43.43 H new ATOM 0 HD21 LEU A 35 0.544 -3.054 0.980 1.00 20.32 H new ATOM 0 HD22 LEU A 35 -1.210 -2.876 1.217 1.00 20.32 H new ATOM 0 HD23 LEU A 35 -0.179 -1.432 1.083 1.00 20.32 H new ATOM 585 N HIS A 36 -3.249 -2.647 5.731 1.00 5.34 N ATOM 586 CA HIS A 36 -3.731 -3.548 6.777 1.00 52.42 C ATOM 587 C HIS A 36 -5.109 -4.090 6.400 1.00 11.21 C ATOM 588 O HIS A 36 -5.401 -5.249 6.596 1.00 20.53 O ATOM 589 CB HIS A 36 -3.758 -2.858 8.144 1.00 2.44 C ATOM 590 CG HIS A 36 -2.408 -2.424 8.639 1.00 41.35 C ATOM 591 ND1 HIS A 36 -2.160 -1.212 9.245 1.00 2.01 N ATOM 592 CD2 HIS A 36 -1.223 -3.075 8.617 1.00 32.42 C ATOM 593 CE1 HIS A 36 -0.869 -1.165 9.562 1.00 50.51 C ATOM 594 NE2 HIS A 36 -0.251 -2.277 9.200 1.00 74.44 N ATOM 0 H HIS A 36 -3.141 -1.676 6.024 1.00 5.34 H new ATOM 0 HA HIS A 36 -3.038 -4.385 6.859 1.00 52.42 H new ATOM 0 HB2 HIS A 36 -4.409 -1.986 8.086 1.00 2.44 H new ATOM 0 HB3 HIS A 36 -4.199 -3.537 8.873 1.00 2.44 H new ATOM 0 HD2 HIS A 36 -1.060 -4.062 8.209 1.00 32.42 H new ATOM 0 HE1 HIS A 36 -0.389 -0.330 10.050 1.00 50.51 H new ATOM 0 HE2 HIS A 36 0.736 -2.501 9.324 1.00 74.44 H new ATOM 602 N THR A 37 -5.927 -3.235 5.826 1.00 63.12 N ATOM 603 CA THR A 37 -7.224 -3.604 5.275 1.00 22.21 C ATOM 604 C THR A 37 -7.070 -4.652 4.158 1.00 75.41 C ATOM 605 O THR A 37 -7.876 -5.577 4.034 1.00 61.35 O ATOM 606 CB THR A 37 -7.928 -2.325 4.742 1.00 54.13 C ATOM 607 OG1 THR A 37 -8.510 -1.576 5.818 1.00 65.32 O ATOM 608 CG2 THR A 37 -8.931 -2.579 3.632 1.00 15.22 C ATOM 0 H THR A 37 -5.710 -2.243 5.724 1.00 63.12 H new ATOM 0 HA THR A 37 -7.834 -4.053 6.059 1.00 22.21 H new ATOM 0 HB THR A 37 -7.143 -1.726 4.280 1.00 54.13 H new ATOM 0 HG1 THR A 37 -7.819 -1.029 6.247 1.00 65.32 H new ATOM 0 HG21 THR A 37 -9.375 -1.634 3.319 1.00 15.22 H new ATOM 0 HG22 THR A 37 -8.426 -3.041 2.784 1.00 15.22 H new ATOM 0 HG23 THR A 37 -9.714 -3.245 3.994 1.00 15.22 H new ATOM 616 N TYR A 38 -6.031 -4.499 3.384 1.00 3.34 N ATOM 617 CA TYR A 38 -5.728 -5.373 2.296 1.00 72.02 C ATOM 618 C TYR A 38 -5.330 -6.754 2.862 1.00 54.44 C ATOM 619 O TYR A 38 -5.727 -7.795 2.328 1.00 22.23 O ATOM 620 CB TYR A 38 -4.603 -4.733 1.478 1.00 53.22 C ATOM 621 CG TYR A 38 -4.386 -5.339 0.150 1.00 24.12 C ATOM 622 CD1 TYR A 38 -5.182 -4.958 -0.898 1.00 44.12 C ATOM 623 CD2 TYR A 38 -3.390 -6.271 -0.069 1.00 44.31 C ATOM 624 CE1 TYR A 38 -5.006 -5.503 -2.167 1.00 24.14 C ATOM 625 CE2 TYR A 38 -3.199 -6.822 -1.320 1.00 4.05 C ATOM 626 CZ TYR A 38 -4.012 -6.434 -2.367 1.00 73.54 C ATOM 627 OH TYR A 38 -3.830 -6.991 -3.621 1.00 1.45 O ATOM 0 H TYR A 38 -5.357 -3.742 3.500 1.00 3.34 H new ATOM 0 HA TYR A 38 -6.587 -5.523 1.642 1.00 72.02 H new ATOM 0 HB2 TYR A 38 -4.824 -3.674 1.347 1.00 53.22 H new ATOM 0 HB3 TYR A 38 -3.676 -4.797 2.048 1.00 53.22 H new ATOM 0 HD1 TYR A 38 -5.958 -4.224 -0.737 1.00 44.12 H new ATOM 0 HD2 TYR A 38 -2.753 -6.572 0.749 1.00 44.31 H new ATOM 0 HE1 TYR A 38 -5.642 -5.199 -2.985 1.00 24.14 H new ATOM 0 HE2 TYR A 38 -2.419 -7.552 -1.479 1.00 4.05 H new ATOM 0 HH TYR A 38 -3.087 -7.629 -3.591 1.00 1.45 H new ATOM 637 N GLN A 39 -4.574 -6.732 3.974 1.00 45.21 N ATOM 638 CA GLN A 39 -4.207 -7.944 4.726 1.00 22.42 C ATOM 639 C GLN A 39 -5.475 -8.589 5.279 1.00 12.54 C ATOM 640 O GLN A 39 -5.729 -9.787 5.075 1.00 13.23 O ATOM 641 CB GLN A 39 -3.312 -7.596 5.926 1.00 53.10 C ATOM 642 CG GLN A 39 -2.000 -6.910 5.603 1.00 73.22 C ATOM 643 CD GLN A 39 -1.264 -6.475 6.865 1.00 72.33 C ATOM 644 OE1 GLN A 39 -1.878 -6.164 7.891 1.00 40.34 O ATOM 645 NE2 GLN A 39 0.036 -6.440 6.805 1.00 52.12 N ATOM 0 H GLN A 39 -4.200 -5.872 4.376 1.00 45.21 H new ATOM 0 HA GLN A 39 -3.675 -8.614 4.050 1.00 22.42 H new ATOM 0 HB2 GLN A 39 -3.878 -6.954 6.601 1.00 53.10 H new ATOM 0 HB3 GLN A 39 -3.094 -8.515 6.469 1.00 53.10 H new ATOM 0 HG2 GLN A 39 -1.368 -7.587 5.028 1.00 73.22 H new ATOM 0 HG3 GLN A 39 -2.190 -6.040 4.974 1.00 73.22 H new ATOM 0 HE21 GLN A 39 0.514 -6.703 5.943 1.00 52.12 H new ATOM 0 HE22 GLN A 39 0.577 -6.150 7.620 1.00 52.12 H new ATOM 904 N GLU A 55 -8.241 -4.978 -5.449 1.00 62.41 N ATOM 905 CA GLU A 55 -6.981 -4.309 -5.579 1.00 62.35 C ATOM 906 C GLU A 55 -7.043 -2.990 -6.386 1.00 22.24 C ATOM 907 O GLU A 55 -6.228 -2.101 -6.187 1.00 24.14 O ATOM 908 CB GLU A 55 -5.927 -5.233 -6.124 1.00 55.51 C ATOM 909 CG GLU A 55 -5.956 -5.370 -7.588 1.00 61.01 C ATOM 910 CD GLU A 55 -7.179 -6.094 -8.114 1.00 54.41 C ATOM 911 OE1 GLU A 55 -7.203 -7.334 -8.077 1.00 24.33 O ATOM 912 OE2 GLU A 55 -8.154 -5.427 -8.535 1.00 40.31 O ATOM 0 HA GLU A 55 -6.702 -4.017 -4.567 1.00 62.35 H new ATOM 0 HB2 GLU A 55 -4.946 -4.867 -5.822 1.00 55.51 H new ATOM 0 HB3 GLU A 55 -6.053 -6.218 -5.674 1.00 55.51 H new ATOM 0 HG2 GLU A 55 -5.913 -4.378 -8.037 1.00 61.01 H new ATOM 0 HG3 GLU A 55 -5.063 -5.905 -7.911 1.00 61.01 H new ATOM 919 N GLU A 56 -7.995 -2.882 -7.285 1.00 3.43 N ATOM 920 CA GLU A 56 -8.173 -1.681 -8.058 1.00 61.11 C ATOM 921 C GLU A 56 -8.726 -0.545 -7.176 1.00 2.21 C ATOM 922 O GLU A 56 -8.277 0.605 -7.268 1.00 55.12 O ATOM 923 CB GLU A 56 -9.091 -1.962 -9.230 1.00 44.22 C ATOM 924 CG GLU A 56 -9.264 -0.803 -10.173 1.00 10.12 C ATOM 925 CD GLU A 56 -10.231 -1.125 -11.259 1.00 64.45 C ATOM 926 OE1 GLU A 56 -11.453 -1.038 -11.012 1.00 75.12 O ATOM 927 OE2 GLU A 56 -9.807 -1.498 -12.365 1.00 53.33 O ATOM 0 H GLU A 56 -8.663 -3.623 -7.498 1.00 3.43 H new ATOM 0 HA GLU A 56 -7.207 -1.356 -8.444 1.00 61.11 H new ATOM 0 HB2 GLU A 56 -8.699 -2.813 -9.787 1.00 44.22 H new ATOM 0 HB3 GLU A 56 -10.069 -2.254 -8.848 1.00 44.22 H new ATOM 0 HG2 GLU A 56 -9.613 0.069 -9.620 1.00 10.12 H new ATOM 0 HG3 GLU A 56 -8.300 -0.539 -10.608 1.00 10.12 H new ATOM 934 N GLU A 57 -9.657 -0.873 -6.285 1.00 40.40 N ATOM 935 CA GLU A 57 -10.212 0.126 -5.388 1.00 22.43 C ATOM 936 C GLU A 57 -9.185 0.376 -4.279 1.00 61.05 C ATOM 937 O GLU A 57 -9.096 1.468 -3.720 1.00 65.42 O ATOM 938 CB GLU A 57 -11.571 -0.312 -4.840 1.00 73.44 C ATOM 939 CG GLU A 57 -11.488 -1.130 -3.611 1.00 64.50 C ATOM 940 CD GLU A 57 -12.812 -1.678 -3.169 1.00 42.11 C ATOM 941 OE1 GLU A 57 -13.558 -0.988 -2.458 1.00 44.11 O ATOM 942 OE2 GLU A 57 -13.121 -2.829 -3.520 1.00 11.01 O ATOM 0 H GLU A 57 -10.037 -1.812 -6.168 1.00 40.40 H new ATOM 0 HA GLU A 57 -10.400 1.057 -5.922 1.00 22.43 H new ATOM 0 HB2 GLU A 57 -12.171 0.574 -4.635 1.00 73.44 H new ATOM 0 HB3 GLU A 57 -12.095 -0.881 -5.608 1.00 73.44 H new ATOM 0 HG2 GLU A 57 -10.799 -1.958 -3.780 1.00 64.50 H new ATOM 0 HG3 GLU A 57 -11.068 -0.524 -2.808 1.00 64.50 H new ATOM 949 N VAL A 58 -8.378 -0.656 -4.027 1.00 52.15 N ATOM 950 CA VAL A 58 -7.241 -0.590 -3.158 1.00 20.20 C ATOM 951 C VAL A 58 -6.302 0.484 -3.682 1.00 24.55 C ATOM 952 O VAL A 58 -5.976 1.434 -2.979 1.00 53.54 O ATOM 953 CB VAL A 58 -6.538 -1.980 -3.145 1.00 25.45 C ATOM 954 CG1 VAL A 58 -5.091 -1.933 -2.746 1.00 35.40 C ATOM 955 CG2 VAL A 58 -7.303 -2.968 -2.293 1.00 62.24 C ATOM 0 H VAL A 58 -8.516 -1.578 -4.441 1.00 52.15 H new ATOM 0 HA VAL A 58 -7.538 -0.340 -2.140 1.00 20.20 H new ATOM 0 HB VAL A 58 -6.546 -2.321 -4.180 1.00 25.45 H new ATOM 0 HG11 VAL A 58 -4.676 -2.941 -2.762 1.00 35.40 H new ATOM 0 HG12 VAL A 58 -4.541 -1.303 -3.445 1.00 35.40 H new ATOM 0 HG13 VAL A 58 -5.004 -1.521 -1.741 1.00 35.40 H new ATOM 0 HG21 VAL A 58 -6.790 -3.930 -2.302 1.00 62.24 H new ATOM 0 HG22 VAL A 58 -7.361 -2.597 -1.270 1.00 62.24 H new ATOM 0 HG23 VAL A 58 -8.310 -3.090 -2.693 1.00 62.24 H new ATOM 965 N PHE A 59 -5.943 0.350 -4.956 1.00 21.01 N ATOM 966 CA PHE A 59 -5.067 1.280 -5.631 1.00 5.23 C ATOM 967 C PHE A 59 -5.663 2.678 -5.625 1.00 62.03 C ATOM 968 O PHE A 59 -4.943 3.643 -5.509 1.00 60.45 O ATOM 969 CB PHE A 59 -4.783 0.808 -7.073 1.00 62.32 C ATOM 970 CG PHE A 59 -3.826 1.692 -7.837 1.00 0.54 C ATOM 971 CD1 PHE A 59 -2.463 1.620 -7.601 1.00 62.00 C ATOM 972 CD2 PHE A 59 -4.291 2.600 -8.780 1.00 43.33 C ATOM 973 CE1 PHE A 59 -1.582 2.432 -8.289 1.00 44.23 C ATOM 974 CE2 PHE A 59 -3.413 3.414 -9.470 1.00 34.03 C ATOM 975 CZ PHE A 59 -2.057 3.330 -9.224 1.00 40.14 C ATOM 0 H PHE A 59 -6.260 -0.418 -5.548 1.00 21.01 H new ATOM 0 HA PHE A 59 -4.120 1.314 -5.093 1.00 5.23 H new ATOM 0 HB2 PHE A 59 -4.377 -0.203 -7.039 1.00 62.32 H new ATOM 0 HB3 PHE A 59 -5.725 0.755 -7.618 1.00 62.32 H new ATOM 0 HD1 PHE A 59 -2.084 0.921 -6.870 1.00 62.00 H new ATOM 0 HD2 PHE A 59 -5.351 2.671 -8.976 1.00 43.33 H new ATOM 0 HE1 PHE A 59 -0.522 2.364 -8.095 1.00 44.23 H new ATOM 0 HE2 PHE A 59 -3.787 4.115 -10.201 1.00 34.03 H new ATOM 0 HZ PHE A 59 -1.369 3.966 -9.762 1.00 40.14 H new ATOM 985 N THR A 60 -6.986 2.767 -5.699 1.00 64.31 N ATOM 986 CA THR A 60 -7.670 3.985 -5.703 1.00 44.31 C ATOM 987 C THR A 60 -7.434 4.773 -4.406 1.00 51.30 C ATOM 988 O THR A 60 -7.025 5.922 -4.456 1.00 73.42 O ATOM 989 CB THR A 60 -9.152 3.716 -5.889 1.00 12.35 C ATOM 990 OG1 THR A 60 -9.393 3.102 -7.181 1.00 14.41 O ATOM 991 CG2 THR A 60 -9.911 4.981 -5.766 1.00 63.04 C ATOM 0 H THR A 60 -7.598 1.953 -5.758 1.00 64.31 H new ATOM 0 HA THR A 60 -7.292 4.593 -6.525 1.00 44.31 H new ATOM 0 HB THR A 60 -9.489 3.028 -5.114 1.00 12.35 H new ATOM 0 HG1 THR A 60 -8.934 2.237 -7.223 1.00 14.41 H new ATOM 0 HG21 THR A 60 -10.974 4.782 -5.900 1.00 63.04 H new ATOM 0 HG22 THR A 60 -9.744 5.411 -4.778 1.00 63.04 H new ATOM 0 HG23 THR A 60 -9.574 5.683 -6.529 1.00 63.04 H new ATOM 999 N GLU A 61 -7.637 4.136 -3.256 1.00 43.21 N ATOM 1000 CA GLU A 61 -7.491 4.827 -1.988 1.00 22.35 C ATOM 1001 C GLU A 61 -6.038 5.230 -1.761 1.00 43.43 C ATOM 1002 O GLU A 61 -5.752 6.272 -1.174 1.00 0.22 O ATOM 1003 CB GLU A 61 -8.000 3.955 -0.856 1.00 53.03 C ATOM 1004 CG GLU A 61 -9.502 3.808 -0.853 1.00 33.25 C ATOM 1005 CD GLU A 61 -10.206 5.078 -0.431 1.00 22.32 C ATOM 1006 OE1 GLU A 61 -10.451 5.261 0.790 1.00 24.45 O ATOM 1007 OE2 GLU A 61 -10.529 5.915 -1.287 1.00 74.34 O ATOM 0 H GLU A 61 -7.900 3.153 -3.180 1.00 43.21 H new ATOM 0 HA GLU A 61 -8.089 5.738 -2.013 1.00 22.35 H new ATOM 0 HB2 GLU A 61 -7.544 2.968 -0.932 1.00 53.03 H new ATOM 0 HB3 GLU A 61 -7.680 4.381 0.095 1.00 53.03 H new ATOM 0 HG2 GLU A 61 -9.838 3.524 -1.850 1.00 33.25 H new ATOM 0 HG3 GLU A 61 -9.784 2.999 -0.179 1.00 33.25 H new ATOM 1014 N VAL A 62 -5.139 4.413 -2.280 1.00 62.41 N ATOM 1015 CA VAL A 62 -3.711 4.652 -2.191 1.00 12.41 C ATOM 1016 C VAL A 62 -3.303 5.806 -3.131 1.00 33.51 C ATOM 1017 O VAL A 62 -2.549 6.697 -2.745 1.00 43.41 O ATOM 1018 CB VAL A 62 -2.923 3.360 -2.530 1.00 0.32 C ATOM 1019 CG1 VAL A 62 -1.444 3.562 -2.370 1.00 22.20 C ATOM 1020 CG2 VAL A 62 -3.372 2.230 -1.636 1.00 4.03 C ATOM 0 H VAL A 62 -5.383 3.558 -2.779 1.00 62.41 H new ATOM 0 HA VAL A 62 -3.467 4.940 -1.168 1.00 12.41 H new ATOM 0 HB VAL A 62 -3.127 3.111 -3.572 1.00 0.32 H new ATOM 0 HG11 VAL A 62 -0.922 2.637 -2.615 1.00 22.20 H new ATOM 0 HG12 VAL A 62 -1.111 4.355 -3.039 1.00 22.20 H new ATOM 0 HG13 VAL A 62 -1.224 3.840 -1.339 1.00 22.20 H new ATOM 0 HG21 VAL A 62 -2.813 1.327 -1.882 1.00 4.03 H new ATOM 0 HG22 VAL A 62 -3.191 2.496 -0.595 1.00 4.03 H new ATOM 0 HG23 VAL A 62 -4.437 2.049 -1.785 1.00 4.03 H new ATOM 1030 N ALA A 63 -3.841 5.797 -4.345 1.00 74.24 N ATOM 1031 CA ALA A 63 -3.598 6.869 -5.324 1.00 4.44 C ATOM 1032 C ALA A 63 -4.171 8.169 -4.809 1.00 43.25 C ATOM 1033 O ALA A 63 -3.593 9.211 -4.962 1.00 24.52 O ATOM 1034 CB ALA A 63 -4.198 6.521 -6.682 1.00 34.04 C ATOM 0 H ALA A 63 -4.454 5.056 -4.684 1.00 74.24 H new ATOM 0 HA ALA A 63 -2.522 6.979 -5.456 1.00 4.44 H new ATOM 0 HB1 ALA A 63 -4.003 7.331 -7.384 1.00 34.04 H new ATOM 0 HB2 ALA A 63 -3.747 5.601 -7.054 1.00 34.04 H new ATOM 0 HB3 ALA A 63 -5.274 6.381 -6.579 1.00 34.04 H new ATOM 1040 N ASN A 64 -5.303 8.058 -4.171 1.00 64.13 N ATOM 1041 CA ASN A 64 -5.991 9.162 -3.512 1.00 25.41 C ATOM 1042 C ASN A 64 -5.187 9.712 -2.347 1.00 3.53 C ATOM 1043 O ASN A 64 -5.280 10.896 -2.015 1.00 13.10 O ATOM 1044 CB ASN A 64 -7.361 8.674 -3.060 1.00 72.13 C ATOM 1045 CG ASN A 64 -7.919 9.331 -1.809 1.00 53.43 C ATOM 1046 OD1 ASN A 64 -8.555 10.367 -1.867 1.00 13.12 O ATOM 1047 ND2 ASN A 64 -7.712 8.694 -0.678 1.00 40.03 N ATOM 0 H ASN A 64 -5.799 7.171 -4.086 1.00 64.13 H new ATOM 0 HA ASN A 64 -6.108 9.985 -4.217 1.00 25.41 H new ATOM 0 HB2 ASN A 64 -8.068 8.830 -3.875 1.00 72.13 H new ATOM 0 HB3 ASN A 64 -7.304 7.599 -2.888 1.00 72.13 H new ATOM 0 HD21 ASN A 64 -8.090 9.066 0.193 1.00 40.03 H new ATOM 0 HD22 ASN A 64 -7.173 7.828 -0.672 1.00 40.03 H new ATOM 1054 N LEU A 65 -4.413 8.868 -1.739 1.00 12.42 N ATOM 1055 CA LEU A 65 -3.610 9.269 -0.641 1.00 62.45 C ATOM 1056 C LEU A 65 -2.399 10.057 -1.184 1.00 50.20 C ATOM 1057 O LEU A 65 -2.123 11.195 -0.775 1.00 61.11 O ATOM 1058 CB LEU A 65 -3.097 8.030 0.092 1.00 35.50 C ATOM 1059 CG LEU A 65 -2.923 8.143 1.611 1.00 41.40 C ATOM 1060 CD1 LEU A 65 -3.052 9.546 2.101 1.00 61.04 C ATOM 1061 CD2 LEU A 65 -3.938 7.330 2.296 1.00 72.31 C ATOM 0 H LEU A 65 -4.324 7.884 -1.994 1.00 12.42 H new ATOM 0 HA LEU A 65 -4.195 9.885 0.042 1.00 62.45 H new ATOM 0 HB2 LEU A 65 -3.784 7.208 -0.110 1.00 35.50 H new ATOM 0 HB3 LEU A 65 -2.135 7.755 -0.340 1.00 35.50 H new ATOM 0 HG LEU A 65 -1.916 7.788 1.833 1.00 41.40 H new ATOM 0 HD11 LEU A 65 -2.920 9.567 3.183 1.00 61.04 H new ATOM 0 HD12 LEU A 65 -2.290 10.167 1.630 1.00 61.04 H new ATOM 0 HD13 LEU A 65 -4.040 9.930 1.848 1.00 61.04 H new ATOM 0 HD21 LEU A 65 -3.806 7.417 3.375 1.00 72.31 H new ATOM 0 HD22 LEU A 65 -4.932 7.683 2.022 1.00 72.31 H new ATOM 0 HD23 LEU A 65 -3.829 6.287 2.000 1.00 72.31 H new ATOM 1073 N PHE A 66 -1.727 9.450 -2.154 1.00 5.30 N ATOM 1074 CA PHE A 66 -0.478 9.966 -2.714 1.00 31.24 C ATOM 1075 C PHE A 66 -0.711 10.611 -4.070 1.00 33.10 C ATOM 1076 O PHE A 66 0.134 10.484 -4.969 1.00 31.34 O ATOM 1077 CB PHE A 66 0.501 8.801 -2.914 1.00 1.44 C ATOM 1078 CG PHE A 66 0.695 7.928 -1.703 1.00 45.43 C ATOM 1079 CD1 PHE A 66 0.853 8.479 -0.443 1.00 3.20 C ATOM 1080 CD2 PHE A 66 0.703 6.554 -1.828 1.00 52.03 C ATOM 1081 CE1 PHE A 66 1.017 7.681 0.661 1.00 43.32 C ATOM 1082 CE2 PHE A 66 0.867 5.751 -0.725 1.00 12.15 C ATOM 1083 CZ PHE A 66 1.024 6.317 0.520 1.00 72.45 C ATOM 0 H PHE A 66 -2.035 8.576 -2.581 1.00 5.30 H new ATOM 0 HA PHE A 66 -0.079 10.708 -2.023 1.00 31.24 H new ATOM 0 HB2 PHE A 66 0.145 8.182 -3.738 1.00 1.44 H new ATOM 0 HB3 PHE A 66 1.468 9.204 -3.213 1.00 1.44 H new ATOM 0 HD1 PHE A 66 0.847 9.553 -0.327 1.00 3.20 H new ATOM 0 HD2 PHE A 66 0.579 6.105 -2.802 1.00 52.03 H new ATOM 0 HE1 PHE A 66 1.140 8.126 1.638 1.00 43.32 H new ATOM 0 HE2 PHE A 66 0.873 4.677 -0.835 1.00 12.15 H new ATOM 0 HZ PHE A 66 1.153 5.686 1.387 1.00 72.45 H new ATOM 1093 N ARG A 67 -1.812 11.337 -4.200 1.00 24.21 N ATOM 1094 CA ARG A 67 -2.205 11.944 -5.479 1.00 31.44 C ATOM 1095 C ARG A 67 -1.081 12.808 -6.058 1.00 41.22 C ATOM 1096 O ARG A 67 -0.704 13.843 -5.479 1.00 64.45 O ATOM 1097 CB ARG A 67 -3.457 12.816 -5.341 1.00 52.40 C ATOM 1098 CG ARG A 67 -4.640 12.173 -4.689 1.00 75.43 C ATOM 1099 CD ARG A 67 -5.810 13.133 -4.640 1.00 61.20 C ATOM 1100 NE ARG A 67 -6.977 12.570 -3.958 1.00 15.34 N ATOM 1101 CZ ARG A 67 -8.255 12.833 -4.289 1.00 33.41 C ATOM 1102 NH1 ARG A 67 -8.536 13.692 -5.271 1.00 13.55 N ATOM 1103 NH2 ARG A 67 -9.241 12.255 -3.623 1.00 60.13 N ATOM 0 H ARG A 67 -2.458 11.525 -3.434 1.00 24.21 H new ATOM 0 HA ARG A 67 -2.418 11.113 -6.151 1.00 31.44 H new ATOM 0 HB2 ARG A 67 -3.193 13.707 -4.771 1.00 52.40 H new ATOM 0 HB3 ARG A 67 -3.753 13.150 -6.335 1.00 52.40 H new ATOM 0 HG2 ARG A 67 -4.922 11.276 -5.240 1.00 75.43 H new ATOM 0 HG3 ARG A 67 -4.379 11.858 -3.679 1.00 75.43 H new ATOM 0 HD2 ARG A 67 -5.503 14.047 -4.131 1.00 61.20 H new ATOM 0 HD3 ARG A 67 -6.088 13.412 -5.656 1.00 61.20 H new ATOM 0 HE ARG A 67 -6.810 11.934 -3.178 1.00 15.34 H new ATOM 0 HH11 ARG A 67 -7.780 14.154 -5.776 1.00 13.55 H new ATOM 0 HH12 ARG A 67 -9.507 13.886 -5.516 1.00 13.55 H new ATOM 0 HH21 ARG A 67 -9.032 11.611 -2.860 1.00 60.13 H new ATOM 0 HH22 ARG A 67 -10.210 12.453 -3.873 1.00 60.13 H new ATOM 1117 N GLY A 68 -0.532 12.375 -7.167 1.00 21.31 N ATOM 1118 CA GLY A 68 0.503 13.133 -7.820 1.00 42.23 C ATOM 1119 C GLY A 68 1.868 12.503 -7.692 1.00 40.05 C ATOM 1120 O GLY A 68 2.734 12.722 -8.534 1.00 42.03 O ATOM 0 H GLY A 68 -0.785 11.504 -7.634 1.00 21.31 H new ATOM 0 HA2 GLY A 68 0.256 13.239 -8.876 1.00 42.23 H new ATOM 0 HA3 GLY A 68 0.532 14.137 -7.397 1.00 42.23 H new ATOM 1124 N GLN A 69 2.080 11.726 -6.654 1.00 34.42 N ATOM 1125 CA GLN A 69 3.355 11.092 -6.450 1.00 52.52 C ATOM 1126 C GLN A 69 3.382 9.758 -7.188 1.00 75.43 C ATOM 1127 O GLN A 69 3.081 8.704 -6.610 1.00 34.54 O ATOM 1128 CB GLN A 69 3.594 10.880 -4.966 1.00 51.53 C ATOM 1129 CG GLN A 69 3.446 12.135 -4.119 1.00 75.31 C ATOM 1130 CD GLN A 69 4.458 13.199 -4.420 1.00 50.13 C ATOM 1131 OE1 GLN A 69 5.552 13.206 -3.870 1.00 50.24 O ATOM 1132 NE2 GLN A 69 4.086 14.142 -5.204 1.00 73.24 N ATOM 0 H GLN A 69 1.382 11.520 -5.939 1.00 34.42 H new ATOM 0 HA GLN A 69 4.147 11.731 -6.842 1.00 52.52 H new ATOM 0 HB2 GLN A 69 2.895 10.127 -4.602 1.00 51.53 H new ATOM 0 HB3 GLN A 69 4.598 10.478 -4.826 1.00 51.53 H new ATOM 0 HG2 GLN A 69 2.447 12.546 -4.268 1.00 75.31 H new ATOM 0 HG3 GLN A 69 3.524 11.862 -3.067 1.00 75.31 H new ATOM 0 HE21 GLN A 69 3.168 14.105 -5.646 1.00 73.24 H new ATOM 0 HE22 GLN A 69 4.708 14.929 -5.386 1.00 73.24 H new ATOM 1141 N GLU A 70 3.724 9.804 -8.465 1.00 54.01 N ATOM 1142 CA GLU A 70 3.686 8.623 -9.320 1.00 31.24 C ATOM 1143 C GLU A 70 4.701 7.577 -8.913 1.00 13.12 C ATOM 1144 O GLU A 70 4.507 6.398 -9.197 1.00 41.30 O ATOM 1145 CB GLU A 70 3.837 8.986 -10.781 1.00 13.51 C ATOM 1146 CG GLU A 70 2.744 9.901 -11.284 1.00 23.31 C ATOM 1147 CD GLU A 70 2.970 10.327 -12.697 1.00 53.32 C ATOM 1148 OE1 GLU A 70 3.716 11.289 -12.912 1.00 0.12 O ATOM 1149 OE2 GLU A 70 2.391 9.714 -13.620 1.00 24.42 O ATOM 0 H GLU A 70 4.034 10.653 -8.938 1.00 54.01 H new ATOM 0 HA GLU A 70 2.700 8.179 -9.183 1.00 31.24 H new ATOM 0 HB2 GLU A 70 4.803 9.468 -10.931 1.00 13.51 H new ATOM 0 HB3 GLU A 70 3.841 8.073 -11.377 1.00 13.51 H new ATOM 0 HG2 GLU A 70 1.783 9.392 -11.209 1.00 23.31 H new ATOM 0 HG3 GLU A 70 2.688 10.782 -10.645 1.00 23.31 H new ATOM 1156 N ASP A 71 5.763 8.008 -8.232 1.00 52.25 N ATOM 1157 CA ASP A 71 6.779 7.093 -7.675 1.00 73.42 C ATOM 1158 C ASP A 71 6.124 6.051 -6.839 1.00 32.41 C ATOM 1159 O ASP A 71 6.291 4.844 -7.044 1.00 75.41 O ATOM 1160 CB ASP A 71 7.758 7.828 -6.761 1.00 15.52 C ATOM 1161 CG ASP A 71 8.875 8.564 -7.443 1.00 22.45 C ATOM 1162 OD1 ASP A 71 8.628 9.587 -8.100 1.00 12.23 O ATOM 1163 OD2 ASP A 71 10.044 8.144 -7.289 1.00 32.13 O ATOM 0 H ASP A 71 5.949 8.994 -8.048 1.00 52.25 H new ATOM 0 HA ASP A 71 7.308 6.659 -8.524 1.00 73.42 H new ATOM 0 HB2 ASP A 71 7.195 8.541 -6.159 1.00 15.52 H new ATOM 0 HB3 ASP A 71 8.194 7.104 -6.073 1.00 15.52 H new ATOM 1168 N LEU A 72 5.319 6.531 -5.944 1.00 63.20 N ATOM 1169 CA LEU A 72 4.671 5.721 -4.968 1.00 10.43 C ATOM 1170 C LEU A 72 3.629 4.852 -5.608 1.00 12.40 C ATOM 1171 O LEU A 72 3.474 3.691 -5.268 1.00 33.30 O ATOM 1172 CB LEU A 72 4.060 6.628 -3.906 1.00 24.33 C ATOM 1173 CG LEU A 72 5.052 7.573 -3.229 1.00 2.12 C ATOM 1174 CD1 LEU A 72 4.376 8.408 -2.175 1.00 61.44 C ATOM 1175 CD2 LEU A 72 6.217 6.806 -2.643 1.00 12.24 C ATOM 0 H LEU A 72 5.090 7.522 -5.872 1.00 63.20 H new ATOM 0 HA LEU A 72 5.397 5.058 -4.497 1.00 10.43 H new ATOM 0 HB2 LEU A 72 3.269 7.221 -4.365 1.00 24.33 H new ATOM 0 HB3 LEU A 72 3.591 6.007 -3.143 1.00 24.33 H new ATOM 0 HG LEU A 72 5.440 8.248 -3.992 1.00 2.12 H new ATOM 0 HD11 LEU A 72 5.107 9.070 -1.711 1.00 61.44 H new ATOM 0 HD12 LEU A 72 3.587 9.003 -2.634 1.00 61.44 H new ATOM 0 HD13 LEU A 72 3.944 7.756 -1.416 1.00 61.44 H new ATOM 0 HD21 LEU A 72 6.908 7.502 -2.167 1.00 12.24 H new ATOM 0 HD22 LEU A 72 5.849 6.096 -1.902 1.00 12.24 H new ATOM 0 HD23 LEU A 72 6.734 6.267 -3.437 1.00 12.24 H new ATOM 1187 N LEU A 73 2.990 5.384 -6.597 1.00 44.24 N ATOM 1188 CA LEU A 73 1.897 4.693 -7.239 1.00 11.43 C ATOM 1189 C LEU A 73 2.441 3.597 -8.159 1.00 50.23 C ATOM 1190 O LEU A 73 1.797 2.567 -8.377 1.00 1.00 O ATOM 1191 CB LEU A 73 1.025 5.710 -7.991 1.00 1.04 C ATOM 1192 CG LEU A 73 0.567 6.925 -7.145 1.00 45.21 C ATOM 1193 CD1 LEU A 73 -0.292 7.881 -7.929 1.00 22.14 C ATOM 1194 CD2 LEU A 73 -0.150 6.503 -5.879 1.00 55.32 C ATOM 0 H LEU A 73 3.201 6.302 -6.988 1.00 44.24 H new ATOM 0 HA LEU A 73 1.269 4.203 -6.495 1.00 11.43 H new ATOM 0 HB2 LEU A 73 1.581 6.075 -8.855 1.00 1.04 H new ATOM 0 HB3 LEU A 73 0.142 5.198 -8.373 1.00 1.04 H new ATOM 0 HG LEU A 73 1.481 7.447 -6.863 1.00 45.21 H new ATOM 0 HD11 LEU A 73 -0.586 8.714 -7.290 1.00 22.14 H new ATOM 0 HD12 LEU A 73 0.270 8.259 -8.783 1.00 22.14 H new ATOM 0 HD13 LEU A 73 -1.183 7.363 -8.283 1.00 22.14 H new ATOM 0 HD21 LEU A 73 -0.452 7.388 -5.319 1.00 55.32 H new ATOM 0 HD22 LEU A 73 -1.033 5.919 -6.138 1.00 55.32 H new ATOM 0 HD23 LEU A 73 0.518 5.897 -5.267 1.00 55.32 H new ATOM 1206 N SER A 74 3.653 3.802 -8.648 1.00 64.22 N ATOM 1207 CA SER A 74 4.300 2.849 -9.511 1.00 64.21 C ATOM 1208 C SER A 74 4.875 1.691 -8.690 1.00 51.31 C ATOM 1209 O SER A 74 4.602 0.520 -8.985 1.00 43.44 O ATOM 1210 CB SER A 74 5.404 3.532 -10.346 1.00 52.30 C ATOM 1211 OG SER A 74 5.884 2.683 -11.385 1.00 34.20 O ATOM 0 H SER A 74 4.209 4.635 -8.454 1.00 64.22 H new ATOM 0 HA SER A 74 3.558 2.445 -10.200 1.00 64.21 H new ATOM 0 HB2 SER A 74 5.014 4.453 -10.780 1.00 52.30 H new ATOM 0 HB3 SER A 74 6.232 3.812 -9.694 1.00 52.30 H new ATOM 0 HG SER A 74 6.580 3.149 -11.893 1.00 34.20 H new ATOM 1217 N GLU A 75 5.656 2.007 -7.648 1.00 4.34 N ATOM 1218 CA GLU A 75 6.283 0.968 -6.819 1.00 14.31 C ATOM 1219 C GLU A 75 5.229 0.113 -6.118 1.00 64.11 C ATOM 1220 O GLU A 75 5.378 -1.101 -6.005 1.00 35.42 O ATOM 1221 CB GLU A 75 7.251 1.569 -5.797 1.00 53.52 C ATOM 1222 CG GLU A 75 8.436 2.320 -6.400 1.00 74.34 C ATOM 1223 CD GLU A 75 9.316 1.453 -7.284 1.00 54.41 C ATOM 1224 OE1 GLU A 75 10.101 0.635 -6.756 1.00 24.11 O ATOM 1225 OE2 GLU A 75 9.247 1.584 -8.523 1.00 33.21 O ATOM 0 H GLU A 75 5.867 2.963 -7.361 1.00 4.34 H new ATOM 0 HA GLU A 75 6.858 0.327 -7.487 1.00 14.31 H new ATOM 0 HB2 GLU A 75 6.698 2.251 -5.151 1.00 53.52 H new ATOM 0 HB3 GLU A 75 7.631 0.768 -5.163 1.00 53.52 H new ATOM 0 HG2 GLU A 75 8.063 3.161 -6.985 1.00 74.34 H new ATOM 0 HG3 GLU A 75 9.041 2.735 -5.594 1.00 74.34 H new ATOM 1232 N PHE A 76 4.146 0.753 -5.694 1.00 50.32 N ATOM 1233 CA PHE A 76 3.046 0.060 -5.032 1.00 23.34 C ATOM 1234 C PHE A 76 2.436 -0.988 -5.966 1.00 53.23 C ATOM 1235 O PHE A 76 2.202 -2.120 -5.567 1.00 42.23 O ATOM 1236 CB PHE A 76 1.977 1.068 -4.582 1.00 72.33 C ATOM 1237 CG PHE A 76 0.831 0.472 -3.817 1.00 22.23 C ATOM 1238 CD1 PHE A 76 1.000 0.061 -2.509 1.00 3.22 C ATOM 1239 CD2 PHE A 76 -0.412 0.319 -4.408 1.00 32.04 C ATOM 1240 CE1 PHE A 76 -0.041 -0.487 -1.797 1.00 1.45 C ATOM 1241 CE2 PHE A 76 -1.465 -0.233 -3.699 1.00 0.33 C ATOM 1242 CZ PHE A 76 -1.275 -0.636 -2.387 1.00 22.42 C ATOM 0 H PHE A 76 4.005 1.758 -5.798 1.00 50.32 H new ATOM 0 HA PHE A 76 3.435 -0.450 -4.151 1.00 23.34 H new ATOM 0 HB2 PHE A 76 2.453 1.828 -3.962 1.00 72.33 H new ATOM 0 HB3 PHE A 76 1.583 1.575 -5.463 1.00 72.33 H new ATOM 0 HD1 PHE A 76 1.965 0.172 -2.038 1.00 3.22 H new ATOM 0 HD2 PHE A 76 -0.561 0.633 -5.431 1.00 32.04 H new ATOM 0 HE1 PHE A 76 0.110 -0.800 -0.775 1.00 1.45 H new ATOM 0 HE2 PHE A 76 -2.431 -0.349 -4.167 1.00 0.33 H new ATOM 0 HZ PHE A 76 -2.094 -1.066 -1.829 1.00 22.42 H new