USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 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 74 THR OG1 : rot 180:sc= -0.274 USER MOD Set 1.2: A 75 SER OG : rot -110:sc= -1.08 USER MOD Set 2.1: A 34 GLN : amide:sc= -5.18! C(o=-10!,f=-2.1!) USER MOD Set 2.2: A 37 GLN : amide:sc= -4.93! K(o=-10!,f=1.4) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.678! USER MOD Single : A 12 MET CE :methyl 155:sc= -0.14 (180deg=-1.16) USER MOD Single : A 13 GLN : amide:sc=-0.00709 K(o=-0.0071,f=-1.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 50:sc= 0.781 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0271) USER MOD Single : A 22 THR OG1 : rot -78:sc= 0.973 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc=-0.00857 (180deg=-0.21) USER MOD Single : A 28 SER OG : rot -31:sc= 0.651 USER MOD Single : A 29 SER OG : rot 70:sc= 0.909 USER MOD Single : A 31 GLN : amide:sc=-0.00886 K(o=-0.0089,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.6) USER MOD Single : A 44 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -36:sc= 0.807 USER MOD Single : A 56 THR OG1 : rot 77:sc= 0.0141 USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0429 (180deg=-0.562) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -0.807 -17.116 8.730 1.00 1.00 N ATOM 67 CA ALA A 6 -0.459 -15.759 8.377 1.00 1.00 C ATOM 68 C ALA A 6 -0.324 -15.637 6.873 1.00 1.00 C ATOM 69 O ALA A 6 -0.296 -16.634 6.150 1.00 1.00 O ATOM 70 CB ALA A 6 0.864 -15.372 9.041 1.00 1.00 C ATOM 0 HA ALA A 6 -1.246 -15.090 8.724 1.00 1.00 H new ATOM 0 HB1 ALA A 6 1.121 -14.348 8.771 1.00 1.00 H new ATOM 0 HB2 ALA A 6 0.763 -15.447 10.124 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.652 -16.045 8.702 1.00 1.00 H new ATOM 76 N SER A 7 -0.254 -14.408 6.415 1.00 1.00 N ATOM 77 CA SER A 7 -0.136 -14.135 4.996 1.00 1.00 C ATOM 78 C SER A 7 1.248 -14.504 4.489 1.00 1.00 C ATOM 79 O SER A 7 2.121 -14.910 5.255 1.00 1.00 O ATOM 80 CB SER A 7 -0.393 -12.653 4.729 1.00 1.00 C ATOM 81 OG SER A 7 -1.767 -12.363 4.948 1.00 1.00 O ATOM 0 H SER A 7 -0.277 -13.576 7.005 1.00 1.00 H new ATOM 0 HA SER A 7 -0.876 -14.738 4.470 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.228 -12.042 5.384 1.00 1.00 H new ATOM 0 HB3 SER A 7 -0.117 -12.404 3.704 1.00 1.00 H new ATOM 0 HG SER A 7 -1.932 -11.412 4.778 1.00 1.00 H new ATOM 87 N LEU A 8 1.433 -14.355 3.188 1.00 1.00 N ATOM 88 CA LEU A 8 2.704 -14.665 2.546 1.00 1.00 C ATOM 89 C LEU A 8 3.846 -13.856 3.167 1.00 1.00 C ATOM 90 O LEU A 8 5.004 -13.996 2.772 1.00 1.00 O ATOM 91 CB LEU A 8 2.623 -14.352 1.049 1.00 1.00 C ATOM 92 CG LEU A 8 1.424 -15.071 0.418 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.361 -14.725 -1.073 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.568 -16.592 0.590 1.00 1.00 C ATOM 0 H LEU A 8 0.713 -14.018 2.549 1.00 1.00 H new ATOM 0 HA LEU A 8 2.905 -15.726 2.693 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.530 -13.276 0.900 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.543 -14.664 0.555 1.00 1.00 H new ATOM 0 HG LEU A 8 0.508 -14.747 0.912 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.511 -15.233 -1.529 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.247 -13.648 -1.192 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.281 -15.048 -1.561 1.00 1.00 H new ATOM 0 HD21 LEU A 8 0.711 -17.092 0.138 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.483 -16.928 0.102 1.00 1.00 H new ATOM 0 HD23 LEU A 8 1.612 -16.836 1.652 1.00 1.00 H new ATOM 106 N LEU A 9 3.523 -13.024 4.154 1.00 1.00 N ATOM 107 CA LEU A 9 4.523 -12.215 4.837 1.00 1.00 C ATOM 108 C LEU A 9 5.251 -13.041 5.900 1.00 1.00 C ATOM 109 O LEU A 9 6.219 -12.583 6.504 1.00 1.00 O ATOM 110 CB LEU A 9 3.829 -11.014 5.494 1.00 1.00 C ATOM 111 CG LEU A 9 3.527 -9.948 4.433 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.638 -10.549 3.338 1.00 1.00 C ATOM 113 CD2 LEU A 9 2.802 -8.766 5.085 1.00 1.00 C ATOM 0 H LEU A 9 2.572 -12.894 4.498 1.00 1.00 H new ATOM 0 HA LEU A 9 5.259 -11.868 4.112 1.00 1.00 H new ATOM 0 HB2 LEU A 9 2.905 -11.334 5.975 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.466 -10.595 6.273 1.00 1.00 H new ATOM 0 HG LEU A 9 4.463 -9.603 3.993 1.00 1.00 H new ATOM 0 HD11 LEU A 9 2.425 -9.790 2.585 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.153 -11.388 2.871 1.00 1.00 H new ATOM 0 HD13 LEU A 9 1.703 -10.896 3.778 1.00 1.00 H new ATOM 0 HD21 LEU A 9 2.588 -8.009 4.330 1.00 1.00 H new ATOM 0 HD22 LEU A 9 1.868 -9.112 5.528 1.00 1.00 H new ATOM 0 HD23 LEU A 9 3.434 -8.335 5.862 1.00 1.00 H new ATOM 125 N SER A 10 4.757 -14.254 6.133 1.00 1.00 N ATOM 126 CA SER A 10 5.349 -15.129 7.146 1.00 1.00 C ATOM 127 C SER A 10 6.769 -15.523 6.787 1.00 1.00 C ATOM 128 O SER A 10 7.712 -15.189 7.503 1.00 1.00 O ATOM 129 CB SER A 10 4.500 -16.388 7.341 1.00 1.00 C ATOM 130 OG SER A 10 4.722 -17.281 6.256 1.00 1.00 O ATOM 0 H SER A 10 3.957 -14.652 5.641 1.00 1.00 H new ATOM 0 HA SER A 10 5.376 -14.565 8.079 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.758 -16.872 8.283 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.444 -16.123 7.398 1.00 1.00 H new ATOM 0 HG SER A 10 4.180 -18.088 6.381 1.00 1.00 H new ATOM 136 N PHE A 11 6.914 -16.265 5.705 1.00 1.00 N ATOM 137 CA PHE A 11 8.230 -16.731 5.298 1.00 1.00 C ATOM 138 C PHE A 11 9.242 -15.599 5.420 1.00 1.00 C ATOM 139 O PHE A 11 10.321 -15.778 5.981 1.00 1.00 O ATOM 140 CB PHE A 11 8.172 -17.217 3.852 1.00 1.00 C ATOM 141 CG PHE A 11 9.543 -17.674 3.413 1.00 1.00 C ATOM 142 CD1 PHE A 11 10.103 -18.827 3.974 1.00 1.00 C ATOM 143 CD2 PHE A 11 10.248 -16.955 2.440 1.00 1.00 C ATOM 144 CE1 PHE A 11 11.369 -19.260 3.565 1.00 1.00 C ATOM 145 CE2 PHE A 11 11.513 -17.388 2.030 1.00 1.00 C ATOM 146 CZ PHE A 11 12.074 -18.542 2.592 1.00 1.00 C ATOM 0 H PHE A 11 6.148 -16.556 5.097 1.00 1.00 H new ATOM 0 HA PHE A 11 8.537 -17.552 5.945 1.00 1.00 H new ATOM 0 HB2 PHE A 11 7.459 -18.036 3.762 1.00 1.00 H new ATOM 0 HB3 PHE A 11 7.820 -16.415 3.203 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.558 -19.383 4.723 1.00 1.00 H new ATOM 0 HD2 PHE A 11 9.815 -16.066 2.006 1.00 1.00 H new ATOM 0 HE1 PHE A 11 11.802 -20.148 4.000 1.00 1.00 H new ATOM 0 HE2 PHE A 11 12.057 -16.833 1.280 1.00 1.00 H new ATOM 0 HZ PHE A 11 13.050 -18.878 2.275 1.00 1.00 H new ATOM 156 N MET A 12 8.896 -14.442 4.876 1.00 1.00 N ATOM 157 CA MET A 12 9.801 -13.298 4.916 1.00 1.00 C ATOM 158 C MET A 12 10.025 -12.845 6.351 1.00 1.00 C ATOM 159 O MET A 12 11.150 -12.867 6.848 1.00 1.00 O ATOM 160 CB MET A 12 9.228 -12.144 4.091 1.00 1.00 C ATOM 161 CG MET A 12 9.258 -12.517 2.606 1.00 1.00 C ATOM 162 SD MET A 12 8.481 -11.201 1.635 1.00 1.00 S ATOM 163 CE MET A 12 9.707 -9.909 1.957 1.00 1.00 C ATOM 0 H MET A 12 8.007 -14.269 4.407 1.00 1.00 H new ATOM 0 HA MET A 12 10.758 -13.601 4.491 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.206 -11.932 4.403 1.00 1.00 H new ATOM 0 HB3 MET A 12 9.808 -11.237 4.261 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.287 -12.666 2.278 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.733 -13.459 2.446 1.00 1.00 H new ATOM 0 HE1 MET A 12 9.690 -9.181 1.146 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.472 -9.410 2.897 1.00 1.00 H new ATOM 0 HE3 MET A 12 10.699 -10.357 2.022 1.00 1.00 H new ATOM 173 N GLN A 13 8.946 -12.428 7.008 1.00 1.00 N ATOM 174 CA GLN A 13 9.026 -11.962 8.394 1.00 1.00 C ATOM 175 C GLN A 13 10.084 -12.745 9.168 1.00 1.00 C ATOM 176 O GLN A 13 11.008 -12.166 9.736 1.00 1.00 O ATOM 177 CB GLN A 13 7.667 -12.126 9.076 1.00 1.00 C ATOM 178 CG GLN A 13 7.751 -11.617 10.515 1.00 1.00 C ATOM 179 CD GLN A 13 6.369 -11.633 11.154 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.360 -11.734 10.456 1.00 1.00 O ATOM 181 NE2 GLN A 13 6.263 -11.536 12.451 1.00 1.00 N ATOM 0 H GLN A 13 8.008 -12.402 6.607 1.00 1.00 H new ATOM 0 HA GLN A 13 9.307 -10.909 8.387 1.00 1.00 H new ATOM 0 HB2 GLN A 13 6.904 -11.573 8.528 1.00 1.00 H new ATOM 0 HB3 GLN A 13 7.368 -13.174 9.067 1.00 1.00 H new ATOM 0 HG2 GLN A 13 8.434 -12.241 11.091 1.00 1.00 H new ATOM 0 HG3 GLN A 13 8.155 -10.605 10.529 1.00 1.00 H new ATOM 0 HE21 GLN A 13 7.101 -11.452 13.026 1.00 1.00 H new ATOM 0 HE22 GLN A 13 5.342 -11.544 12.889 1.00 1.00 H new ATOM 190 N GLY A 14 9.942 -14.064 9.181 1.00 1.00 N ATOM 191 CA GLY A 14 10.885 -14.919 9.885 1.00 1.00 C ATOM 192 C GLY A 14 12.262 -14.901 9.219 1.00 1.00 C ATOM 193 O GLY A 14 13.286 -15.052 9.881 1.00 1.00 O ATOM 0 H GLY A 14 9.185 -14.563 8.713 1.00 1.00 H new ATOM 0 HA2 GLY A 14 10.976 -14.588 10.920 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.504 -15.940 9.909 1.00 1.00 H new ATOM 197 N TYR A 15 12.279 -14.744 7.904 1.00 1.00 N ATOM 198 CA TYR A 15 13.541 -14.731 7.166 1.00 1.00 C ATOM 199 C TYR A 15 14.497 -13.708 7.736 1.00 1.00 C ATOM 200 O TYR A 15 15.575 -14.053 8.213 1.00 1.00 O ATOM 201 CB TYR A 15 13.276 -14.454 5.683 1.00 1.00 C ATOM 202 CG TYR A 15 14.520 -14.724 4.879 1.00 1.00 C ATOM 203 CD1 TYR A 15 14.792 -16.023 4.436 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.392 -13.677 4.561 1.00 1.00 C ATOM 205 CE1 TYR A 15 15.938 -16.277 3.678 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.537 -13.930 3.799 1.00 1.00 C ATOM 207 CZ TYR A 15 16.810 -15.230 3.357 1.00 1.00 C ATOM 208 OH TYR A 15 17.938 -15.479 2.602 1.00 1.00 O ATOM 0 H TYR A 15 11.446 -14.625 7.328 1.00 1.00 H new ATOM 0 HA TYR A 15 14.007 -15.711 7.266 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.460 -15.082 5.327 1.00 1.00 H new ATOM 0 HB3 TYR A 15 12.963 -13.419 5.548 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.116 -16.829 4.680 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.181 -12.675 4.904 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.151 -17.280 3.340 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.210 -13.123 3.552 1.00 1.00 H new ATOM 0 HH TYR A 15 18.434 -14.644 2.469 1.00 1.00 H new ATOM 218 N MET A 16 14.114 -12.456 7.664 1.00 1.00 N ATOM 219 CA MET A 16 14.970 -11.401 8.164 1.00 1.00 C ATOM 220 C MET A 16 15.299 -11.670 9.617 1.00 1.00 C ATOM 221 O MET A 16 16.391 -11.351 10.082 1.00 1.00 O ATOM 222 CB MET A 16 14.253 -10.056 8.022 1.00 1.00 C ATOM 223 CG MET A 16 15.110 -8.931 8.603 1.00 1.00 C ATOM 224 SD MET A 16 14.311 -7.340 8.265 1.00 1.00 S ATOM 225 CE MET A 16 13.262 -7.270 9.741 1.00 1.00 C ATOM 0 H MET A 16 13.227 -12.142 7.270 1.00 1.00 H new ATOM 0 HA MET A 16 15.896 -11.370 7.590 1.00 1.00 H new ATOM 0 HB2 MET A 16 14.045 -9.857 6.971 1.00 1.00 H new ATOM 0 HB3 MET A 16 13.293 -10.093 8.536 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.233 -9.069 9.677 1.00 1.00 H new ATOM 0 HG3 MET A 16 16.107 -8.952 8.162 1.00 1.00 H new ATOM 0 HE1 MET A 16 12.676 -6.351 9.728 1.00 1.00 H new ATOM 0 HE2 MET A 16 12.590 -8.128 9.751 1.00 1.00 H new ATOM 0 HE3 MET A 16 13.888 -7.289 10.633 1.00 1.00 H new ATOM 235 N LYS A 17 14.364 -12.274 10.329 1.00 1.00 N ATOM 236 CA LYS A 17 14.607 -12.591 11.732 1.00 1.00 C ATOM 237 C LYS A 17 15.736 -13.610 11.860 1.00 1.00 C ATOM 238 O LYS A 17 16.630 -13.461 12.693 1.00 1.00 O ATOM 239 CB LYS A 17 13.329 -13.115 12.397 1.00 1.00 C ATOM 240 CG LYS A 17 12.254 -12.011 12.420 1.00 1.00 C ATOM 241 CD LYS A 17 12.453 -11.101 13.638 1.00 1.00 C ATOM 242 CE LYS A 17 11.363 -10.028 13.655 1.00 1.00 C ATOM 243 NZ LYS A 17 11.502 -9.206 14.890 1.00 1.00 N ATOM 0 H LYS A 17 13.449 -12.551 9.973 1.00 1.00 H new ATOM 0 HA LYS A 17 14.908 -11.677 12.244 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.957 -13.984 11.854 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.547 -13.443 13.413 1.00 1.00 H new ATOM 0 HG2 LYS A 17 12.308 -11.422 11.504 1.00 1.00 H new ATOM 0 HG3 LYS A 17 11.262 -12.461 12.452 1.00 1.00 H new ATOM 0 HD2 LYS A 17 12.414 -11.689 14.555 1.00 1.00 H new ATOM 0 HD3 LYS A 17 13.437 -10.634 13.600 1.00 1.00 H new ATOM 0 HE2 LYS A 17 11.446 -9.395 12.772 1.00 1.00 H new ATOM 0 HE3 LYS A 17 10.378 -10.493 13.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 10.762 -8.475 14.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 11.403 -9.816 15.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.438 -8.752 14.901 1.00 1.00 H new ATOM 257 N HIS A 18 15.677 -14.655 11.033 1.00 1.00 N ATOM 258 CA HIS A 18 16.687 -15.709 11.064 1.00 1.00 C ATOM 259 C HIS A 18 17.974 -15.282 10.367 1.00 1.00 C ATOM 260 O HIS A 18 19.066 -15.472 10.902 1.00 1.00 O ATOM 261 CB HIS A 18 16.142 -16.968 10.395 1.00 1.00 C ATOM 262 CG HIS A 18 17.190 -18.045 10.427 1.00 1.00 C ATOM 263 ND1 HIS A 18 17.556 -18.685 11.599 1.00 1.00 N ATOM 264 CD2 HIS A 18 17.958 -18.606 9.436 1.00 1.00 C ATOM 265 CE1 HIS A 18 18.507 -19.586 11.289 1.00 1.00 C ATOM 266 NE2 HIS A 18 18.790 -19.579 9.983 1.00 1.00 N ATOM 0 H HIS A 18 14.944 -14.792 10.337 1.00 1.00 H new ATOM 0 HA HIS A 18 16.920 -15.911 12.109 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.242 -17.306 10.909 1.00 1.00 H new ATOM 0 HB3 HIS A 18 15.858 -16.752 9.365 1.00 1.00 H new ATOM 0 HD2 HIS A 18 17.922 -18.334 8.392 1.00 1.00 H new ATOM 0 HE1 HIS A 18 18.983 -20.236 12.008 1.00 1.00 H new ATOM 0 HE2 HIS A 18 19.469 -20.161 9.493 1.00 1.00 H new ATOM 274 N ALA A 19 17.853 -14.738 9.158 1.00 1.00 N ATOM 275 CA ALA A 19 19.035 -14.335 8.400 1.00 1.00 C ATOM 276 C ALA A 19 19.870 -13.345 9.175 1.00 1.00 C ATOM 277 O ALA A 19 21.068 -13.201 8.936 1.00 1.00 O ATOM 278 CB ALA A 19 18.608 -13.715 7.071 1.00 1.00 C ATOM 0 H ALA A 19 16.964 -14.568 8.688 1.00 1.00 H new ATOM 0 HA ALA A 19 19.640 -15.223 8.217 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.492 -13.416 6.508 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.041 -14.446 6.494 1.00 1.00 H new ATOM 0 HB3 ALA A 19 17.985 -12.841 7.261 1.00 1.00 H new ATOM 284 N THR A 20 19.245 -12.689 10.117 1.00 1.00 N ATOM 285 CA THR A 20 19.961 -11.734 10.949 1.00 1.00 C ATOM 286 C THR A 20 20.975 -12.487 11.805 1.00 1.00 C ATOM 287 O THR A 20 21.947 -11.911 12.292 1.00 1.00 O ATOM 288 CB THR A 20 18.973 -10.983 11.846 1.00 1.00 C ATOM 289 OG1 THR A 20 18.170 -10.129 11.047 1.00 1.00 O ATOM 290 CG2 THR A 20 19.732 -10.154 12.885 1.00 1.00 C ATOM 0 H THR A 20 18.253 -12.790 10.333 1.00 1.00 H new ATOM 0 HA THR A 20 20.479 -11.011 10.319 1.00 1.00 H new ATOM 0 HB THR A 20 18.339 -11.703 12.364 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.801 -10.637 10.294 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.020 -9.624 13.518 1.00 1.00 H new ATOM 0 HG22 THR A 20 20.344 -10.814 13.500 1.00 1.00 H new ATOM 0 HG23 THR A 20 20.373 -9.433 12.378 1.00 1.00 H new ATOM 298 N LYS A 21 20.756 -13.792 11.951 1.00 1.00 N ATOM 299 CA LYS A 21 21.673 -14.628 12.720 1.00 1.00 C ATOM 300 C LYS A 21 23.028 -14.741 12.023 1.00 1.00 C ATOM 301 O LYS A 21 24.070 -14.780 12.677 1.00 1.00 O ATOM 302 CB LYS A 21 21.090 -16.026 12.944 1.00 1.00 C ATOM 303 CG LYS A 21 22.015 -16.812 13.879 1.00 1.00 C ATOM 304 CD LYS A 21 21.404 -18.185 14.165 1.00 1.00 C ATOM 305 CE LYS A 21 22.316 -18.971 15.112 1.00 1.00 C ATOM 306 NZ LYS A 21 22.144 -18.465 16.503 1.00 1.00 N ATOM 0 H LYS A 21 19.960 -14.289 11.551 1.00 1.00 H new ATOM 0 HA LYS A 21 21.814 -14.148 13.689 1.00 1.00 H new ATOM 0 HB2 LYS A 21 20.092 -15.952 13.377 1.00 1.00 H new ATOM 0 HB3 LYS A 21 20.987 -16.547 11.992 1.00 1.00 H new ATOM 0 HG2 LYS A 21 22.998 -16.928 13.423 1.00 1.00 H new ATOM 0 HG3 LYS A 21 22.158 -16.265 14.811 1.00 1.00 H new ATOM 0 HD2 LYS A 21 20.416 -18.068 14.610 1.00 1.00 H new ATOM 0 HD3 LYS A 21 21.271 -18.735 13.234 1.00 1.00 H new ATOM 0 HE2 LYS A 21 22.075 -20.033 15.068 1.00 1.00 H new ATOM 0 HE3 LYS A 21 23.356 -18.867 14.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 22.698 -19.053 17.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 22.475 -17.480 16.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 21.139 -18.508 16.766 1.00 1.00 H new ATOM 320 N THR A 22 23.006 -14.821 10.695 1.00 1.00 N ATOM 321 CA THR A 22 24.243 -14.961 9.921 1.00 1.00 C ATOM 322 C THR A 22 25.188 -13.781 10.140 1.00 1.00 C ATOM 323 O THR A 22 26.362 -13.839 9.777 1.00 1.00 O ATOM 324 CB THR A 22 23.912 -15.081 8.430 1.00 1.00 C ATOM 325 OG1 THR A 22 23.172 -13.940 8.020 1.00 1.00 O ATOM 326 CG2 THR A 22 23.082 -16.343 8.192 1.00 1.00 C ATOM 0 H THR A 22 22.155 -14.792 10.134 1.00 1.00 H new ATOM 0 HA THR A 22 24.747 -15.864 10.266 1.00 1.00 H new ATOM 0 HB THR A 22 24.835 -15.142 7.854 1.00 1.00 H new ATOM 0 HG1 THR A 22 22.239 -14.035 8.305 1.00 1.00 H new ATOM 0 HG21 THR A 22 22.846 -16.429 7.131 1.00 1.00 H new ATOM 0 HG22 THR A 22 23.650 -17.217 8.509 1.00 1.00 H new ATOM 0 HG23 THR A 22 22.157 -16.284 8.766 1.00 1.00 H new ATOM 334 N ALA A 23 24.670 -12.716 10.730 1.00 1.00 N ATOM 335 CA ALA A 23 25.466 -11.530 10.993 1.00 1.00 C ATOM 336 C ALA A 23 26.778 -11.904 11.672 1.00 1.00 C ATOM 337 O ALA A 23 27.843 -11.502 11.229 1.00 1.00 O ATOM 338 CB ALA A 23 24.675 -10.576 11.888 1.00 1.00 C ATOM 0 H ALA A 23 23.699 -12.649 11.036 1.00 1.00 H new ATOM 0 HA ALA A 23 25.694 -11.042 10.045 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.271 -9.685 12.087 1.00 1.00 H new ATOM 0 HB2 ALA A 23 23.750 -10.290 11.387 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.439 -11.072 12.830 1.00 1.00 H new ATOM 344 N LYS A 24 26.692 -12.670 12.754 1.00 1.00 N ATOM 345 CA LYS A 24 27.888 -13.087 13.486 1.00 1.00 C ATOM 346 C LYS A 24 28.909 -13.713 12.530 1.00 1.00 C ATOM 347 O LYS A 24 29.944 -13.124 12.220 1.00 1.00 O ATOM 348 CB LYS A 24 27.487 -14.105 14.554 1.00 1.00 C ATOM 349 CG LYS A 24 26.522 -13.445 15.544 1.00 1.00 C ATOM 350 CD LYS A 24 26.070 -14.466 16.593 1.00 1.00 C ATOM 351 CE LYS A 24 25.019 -13.830 17.509 1.00 1.00 C ATOM 352 NZ LYS A 24 25.650 -12.751 18.322 1.00 1.00 N ATOM 0 H LYS A 24 25.814 -13.014 13.144 1.00 1.00 H new ATOM 0 HA LYS A 24 28.344 -12.216 13.956 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.014 -14.970 14.089 1.00 1.00 H new ATOM 0 HB3 LYS A 24 28.372 -14.468 15.077 1.00 1.00 H new ATOM 0 HG2 LYS A 24 27.009 -12.601 16.032 1.00 1.00 H new ATOM 0 HG3 LYS A 24 25.656 -13.050 15.012 1.00 1.00 H new ATOM 0 HD2 LYS A 24 25.655 -15.347 16.103 1.00 1.00 H new ATOM 0 HD3 LYS A 24 26.924 -14.801 17.181 1.00 1.00 H new ATOM 0 HE2 LYS A 24 24.203 -13.420 16.913 1.00 1.00 H new ATOM 0 HE3 LYS A 24 24.587 -14.587 18.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 25.005 -12.472 19.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 26.542 -13.099 18.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 25.843 -11.928 17.716 1.00 1.00 H new ATOM 366 N ASP A 25 28.614 -14.935 12.109 1.00 1.00 N ATOM 367 CA ASP A 25 29.512 -15.678 11.232 1.00 1.00 C ATOM 368 C ASP A 25 29.962 -14.764 10.104 1.00 1.00 C ATOM 369 O ASP A 25 31.135 -14.752 9.729 1.00 1.00 O ATOM 370 CB ASP A 25 28.799 -16.902 10.648 1.00 1.00 C ATOM 371 CG ASP A 25 28.602 -17.964 11.726 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.158 -17.802 12.801 1.00 1.00 O ATOM 373 OD2 ASP A 25 27.902 -18.926 11.460 1.00 1.00 O ATOM 0 H ASP A 25 27.760 -15.434 12.360 1.00 1.00 H new ATOM 0 HA ASP A 25 30.374 -16.020 11.805 1.00 1.00 H new ATOM 0 HB2 ASP A 25 27.833 -16.607 10.237 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.383 -17.313 9.825 1.00 1.00 H new ATOM 378 N ALA A 26 29.033 -13.967 9.600 1.00 1.00 N ATOM 379 CA ALA A 26 29.357 -13.016 8.553 1.00 1.00 C ATOM 380 C ALA A 26 30.280 -11.930 9.110 1.00 1.00 C ATOM 381 O ALA A 26 31.231 -11.513 8.452 1.00 1.00 O ATOM 382 CB ALA A 26 28.079 -12.373 8.024 1.00 1.00 C ATOM 0 H ALA A 26 28.057 -13.960 9.897 1.00 1.00 H new ATOM 0 HA ALA A 26 29.861 -13.539 7.740 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.329 -11.660 7.238 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.424 -13.145 7.619 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.570 -11.854 8.836 1.00 1.00 H new ATOM 388 N LEU A 27 29.989 -11.467 10.333 1.00 1.00 N ATOM 389 CA LEU A 27 30.811 -10.416 10.954 1.00 1.00 C ATOM 390 C LEU A 27 32.253 -10.874 11.102 1.00 1.00 C ATOM 391 O LEU A 27 33.183 -10.128 10.814 1.00 1.00 O ATOM 392 CB LEU A 27 30.244 -10.013 12.334 1.00 1.00 C ATOM 393 CG LEU A 27 29.071 -9.020 12.167 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.135 -9.109 13.375 1.00 1.00 C ATOM 395 CD2 LEU A 27 29.607 -7.585 12.073 1.00 1.00 C ATOM 0 H LEU A 27 29.209 -11.794 10.903 1.00 1.00 H new ATOM 0 HA LEU A 27 30.784 -9.546 10.298 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.904 -10.901 12.868 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.029 -9.559 12.938 1.00 1.00 H new ATOM 0 HG LEU A 27 28.530 -9.276 11.256 1.00 1.00 H new ATOM 0 HD11 LEU A 27 27.311 -8.406 13.250 1.00 1.00 H new ATOM 0 HD12 LEU A 27 27.739 -10.121 13.455 1.00 1.00 H new ATOM 0 HD13 LEU A 27 28.687 -8.863 14.282 1.00 1.00 H new ATOM 0 HD21 LEU A 27 28.774 -6.892 11.955 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.156 -7.341 12.983 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.273 -7.501 11.214 1.00 1.00 H new ATOM 407 N SER A 28 32.434 -12.097 11.549 1.00 1.00 N ATOM 408 CA SER A 28 33.778 -12.636 11.715 1.00 1.00 C ATOM 409 C SER A 28 34.477 -12.632 10.363 1.00 1.00 C ATOM 410 O SER A 28 35.704 -12.562 10.277 1.00 1.00 O ATOM 411 CB SER A 28 33.702 -14.066 12.253 1.00 1.00 C ATOM 412 OG SER A 28 32.971 -14.868 11.335 1.00 1.00 O ATOM 0 H SER A 28 31.681 -12.736 11.803 1.00 1.00 H new ATOM 0 HA SER A 28 34.336 -12.024 12.423 1.00 1.00 H new ATOM 0 HB2 SER A 28 34.705 -14.470 12.390 1.00 1.00 H new ATOM 0 HB3 SER A 28 33.218 -14.076 13.230 1.00 1.00 H new ATOM 0 HG SER A 28 32.304 -14.315 10.876 1.00 1.00 H new ATOM 418 N SER A 29 33.671 -12.704 9.307 1.00 1.00 N ATOM 419 CA SER A 29 34.217 -12.706 7.942 1.00 1.00 C ATOM 420 C SER A 29 34.688 -11.306 7.514 1.00 1.00 C ATOM 421 O SER A 29 35.164 -11.128 6.393 1.00 1.00 O ATOM 422 CB SER A 29 33.188 -13.222 6.937 1.00 1.00 C ATOM 423 OG SER A 29 32.542 -14.370 7.471 1.00 1.00 O ATOM 0 H SER A 29 32.654 -12.761 9.361 1.00 1.00 H new ATOM 0 HA SER A 29 35.078 -13.375 7.951 1.00 1.00 H new ATOM 0 HB2 SER A 29 32.454 -12.446 6.720 1.00 1.00 H new ATOM 0 HB3 SER A 29 33.676 -13.471 5.995 1.00 1.00 H new ATOM 0 HG SER A 29 31.966 -14.104 8.218 1.00 1.00 H new ATOM 429 N VAL A 30 34.544 -10.311 8.391 1.00 1.00 N ATOM 430 CA VAL A 30 34.948 -8.936 8.051 1.00 1.00 C ATOM 431 C VAL A 30 36.405 -8.844 7.584 1.00 1.00 C ATOM 432 O VAL A 30 36.893 -7.755 7.306 1.00 1.00 O ATOM 433 CB VAL A 30 34.750 -8.004 9.254 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.238 -7.815 9.526 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.458 -8.592 10.497 1.00 1.00 C ATOM 0 H VAL A 30 34.158 -10.423 9.328 1.00 1.00 H new ATOM 0 HA VAL A 30 34.310 -8.626 7.223 1.00 1.00 H new ATOM 0 HB VAL A 30 35.189 -7.031 9.034 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.102 -7.153 10.381 1.00 1.00 H new ATOM 0 HG12 VAL A 30 32.762 -7.377 8.648 1.00 1.00 H new ATOM 0 HG13 VAL A 30 32.783 -8.782 9.740 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.314 -7.926 11.347 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.036 -9.570 10.727 1.00 1.00 H new ATOM 0 HG23 VAL A 30 36.524 -8.695 10.294 1.00 1.00 H new ATOM 445 N GLN A 31 37.090 -9.979 7.510 1.00 1.00 N ATOM 446 CA GLN A 31 38.494 -10.006 7.077 1.00 1.00 C ATOM 447 C GLN A 31 38.714 -9.103 5.875 1.00 1.00 C ATOM 448 O GLN A 31 39.846 -8.734 5.564 1.00 1.00 O ATOM 449 CB GLN A 31 38.875 -11.445 6.717 1.00 1.00 C ATOM 450 CG GLN A 31 40.333 -11.516 6.251 1.00 1.00 C ATOM 451 CD GLN A 31 40.729 -12.972 6.028 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.085 -13.879 6.554 1.00 1.00 O ATOM 453 NE2 GLN A 31 41.753 -13.251 5.268 1.00 1.00 N ATOM 0 H GLN A 31 36.703 -10.894 7.742 1.00 1.00 H new ATOM 0 HA GLN A 31 39.120 -9.642 7.892 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.732 -12.092 7.582 1.00 1.00 H new ATOM 0 HB3 GLN A 31 38.218 -11.815 5.930 1.00 1.00 H new ATOM 0 HG2 GLN A 31 40.458 -10.949 5.328 1.00 1.00 H new ATOM 0 HG3 GLN A 31 40.986 -11.061 6.996 1.00 1.00 H new ATOM 0 HE21 GLN A 31 42.285 -12.498 4.833 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.021 -14.222 5.109 1.00 1.00 H new ATOM 462 N GLU A 32 37.632 -8.722 5.223 1.00 1.00 N ATOM 463 CA GLU A 32 37.732 -7.834 4.080 1.00 1.00 C ATOM 464 C GLU A 32 38.056 -6.432 4.576 1.00 1.00 C ATOM 465 O GLU A 32 38.288 -5.517 3.786 1.00 1.00 O ATOM 466 CB GLU A 32 36.413 -7.822 3.312 1.00 1.00 C ATOM 467 CG GLU A 32 36.156 -9.202 2.702 1.00 1.00 C ATOM 468 CD GLU A 32 37.208 -9.515 1.643 1.00 1.00 C ATOM 469 OE1 GLU A 32 37.824 -8.583 1.153 1.00 1.00 O ATOM 470 OE2 GLU A 32 37.383 -10.683 1.335 1.00 1.00 O ATOM 0 H GLU A 32 36.683 -9.010 5.462 1.00 1.00 H new ATOM 0 HA GLU A 32 38.520 -8.181 3.412 1.00 1.00 H new ATOM 0 HB2 GLU A 32 35.595 -7.551 3.980 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.446 -7.067 2.526 1.00 1.00 H new ATOM 0 HG2 GLU A 32 36.178 -9.962 3.483 1.00 1.00 H new ATOM 0 HG3 GLU A 32 35.162 -9.231 2.257 1.00 1.00 H new ATOM 477 N SER A 33 38.078 -6.277 5.900 1.00 1.00 N ATOM 478 CA SER A 33 38.389 -4.990 6.503 1.00 1.00 C ATOM 479 C SER A 33 39.782 -4.566 6.092 1.00 1.00 C ATOM 480 O SER A 33 40.148 -3.397 6.210 1.00 1.00 O ATOM 481 CB SER A 33 38.310 -5.072 8.029 1.00 1.00 C ATOM 482 OG SER A 33 38.297 -3.756 8.564 1.00 1.00 O ATOM 0 H SER A 33 37.885 -7.024 6.568 1.00 1.00 H new ATOM 0 HA SER A 33 37.660 -4.258 6.157 1.00 1.00 H new ATOM 0 HB2 SER A 33 37.411 -5.610 8.331 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.161 -5.629 8.420 1.00 1.00 H new ATOM 0 HG SER A 33 38.245 -3.801 9.542 1.00 1.00 H new ATOM 488 N GLN A 34 40.562 -5.525 5.612 1.00 1.00 N ATOM 489 CA GLN A 34 41.924 -5.219 5.197 1.00 1.00 C ATOM 490 C GLN A 34 41.916 -4.103 4.148 1.00 1.00 C ATOM 491 O GLN A 34 42.962 -3.542 3.823 1.00 1.00 O ATOM 492 CB GLN A 34 42.609 -6.473 4.638 1.00 1.00 C ATOM 493 CG GLN A 34 44.067 -6.152 4.295 1.00 1.00 C ATOM 494 CD GLN A 34 44.827 -7.437 3.989 1.00 1.00 C ATOM 495 OE1 GLN A 34 44.362 -8.526 4.318 1.00 1.00 O ATOM 496 NE2 GLN A 34 45.982 -7.374 3.382 1.00 1.00 N ATOM 0 H GLN A 34 40.284 -6.500 5.502 1.00 1.00 H new ATOM 0 HA GLN A 34 42.486 -4.879 6.067 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.566 -7.280 5.370 1.00 1.00 H new ATOM 0 HB3 GLN A 34 42.084 -6.821 3.749 1.00 1.00 H new ATOM 0 HG2 GLN A 34 44.108 -5.483 3.436 1.00 1.00 H new ATOM 0 HG3 GLN A 34 44.539 -5.631 5.128 1.00 1.00 H new ATOM 0 HE21 GLN A 34 46.366 -6.469 3.110 1.00 1.00 H new ATOM 0 HE22 GLN A 34 46.499 -8.230 3.180 1.00 1.00 H new ATOM 505 N VAL A 35 40.727 -3.780 3.622 1.00 1.00 N ATOM 506 CA VAL A 35 40.588 -2.725 2.610 1.00 1.00 C ATOM 507 C VAL A 35 41.375 -1.462 2.998 1.00 1.00 C ATOM 508 O VAL A 35 41.528 -0.547 2.196 1.00 1.00 O ATOM 509 CB VAL A 35 39.107 -2.381 2.421 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.569 -1.710 3.684 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.935 -1.433 1.227 1.00 1.00 C ATOM 0 H VAL A 35 39.850 -4.233 3.880 1.00 1.00 H new ATOM 0 HA VAL A 35 41.000 -3.100 1.673 1.00 1.00 H new ATOM 0 HB VAL A 35 38.552 -3.300 2.231 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.515 -1.467 3.546 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.677 -2.388 4.530 1.00 1.00 H new ATOM 0 HG13 VAL A 35 39.130 -0.796 3.878 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.879 -1.195 1.101 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.495 -0.516 1.407 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.309 -1.915 0.323 1.00 1.00 H new ATOM 521 N ALA A 36 41.924 -1.447 4.206 1.00 1.00 N ATOM 522 CA ALA A 36 42.747 -0.322 4.645 1.00 1.00 C ATOM 523 C ALA A 36 43.744 0.032 3.550 1.00 1.00 C ATOM 524 O ALA A 36 43.683 1.116 2.973 1.00 1.00 O ATOM 525 CB ALA A 36 43.499 -0.700 5.921 1.00 1.00 C ATOM 0 H ALA A 36 41.817 -2.192 4.895 1.00 1.00 H new ATOM 0 HA ALA A 36 42.108 0.537 4.847 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.112 0.141 6.245 1.00 1.00 H new ATOM 0 HB2 ALA A 36 42.784 -0.951 6.704 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.139 -1.560 5.725 1.00 1.00 H new ATOM 531 N GLN A 37 44.672 -0.892 3.277 1.00 1.00 N ATOM 532 CA GLN A 37 45.690 -0.659 2.248 1.00 1.00 C ATOM 533 C GLN A 37 45.062 0.054 1.048 1.00 1.00 C ATOM 534 O GLN A 37 45.668 0.957 0.469 1.00 1.00 O ATOM 535 CB GLN A 37 46.315 -1.981 1.804 1.00 1.00 C ATOM 536 CG GLN A 37 45.248 -2.860 1.150 1.00 1.00 C ATOM 537 CD GLN A 37 45.796 -4.265 0.930 1.00 1.00 C ATOM 538 OE1 GLN A 37 46.051 -4.665 -0.207 1.00 1.00 O ATOM 539 NE2 GLN A 37 46.000 -5.041 1.959 1.00 1.00 N ATOM 0 H GLN A 37 44.739 -1.795 3.747 1.00 1.00 H new ATOM 0 HA GLN A 37 46.474 -0.030 2.668 1.00 1.00 H new ATOM 0 HB2 GLN A 37 47.126 -1.793 1.101 1.00 1.00 H new ATOM 0 HB3 GLN A 37 46.749 -2.496 2.661 1.00 1.00 H new ATOM 0 HG2 GLN A 37 44.361 -2.901 1.782 1.00 1.00 H new ATOM 0 HG3 GLN A 37 44.941 -2.427 0.198 1.00 1.00 H new ATOM 0 HE21 GLN A 37 45.788 -4.707 2.899 1.00 1.00 H new ATOM 0 HE22 GLN A 37 46.371 -5.981 1.823 1.00 1.00 H new ATOM 548 N GLN A 38 43.833 -0.335 0.693 1.00 1.00 N ATOM 549 CA GLN A 38 43.135 0.309 -0.420 1.00 1.00 C ATOM 550 C GLN A 38 42.954 1.774 -0.068 1.00 1.00 C ATOM 551 O GLN A 38 43.479 2.652 -0.742 1.00 1.00 O ATOM 552 CB GLN A 38 41.763 -0.350 -0.625 1.00 1.00 C ATOM 553 CG GLN A 38 41.266 -0.119 -2.053 1.00 1.00 C ATOM 554 CD GLN A 38 39.896 -0.764 -2.222 1.00 1.00 C ATOM 555 OE1 GLN A 38 38.947 -0.397 -1.528 1.00 1.00 O ATOM 556 NE2 GLN A 38 39.734 -1.714 -3.102 1.00 1.00 N ATOM 0 H GLN A 38 43.310 -1.080 1.153 1.00 1.00 H new ATOM 0 HA GLN A 38 43.709 0.206 -1.341 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.833 -1.419 -0.427 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.046 0.060 0.087 1.00 1.00 H new ATOM 0 HG2 GLN A 38 41.205 0.949 -2.260 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.971 -0.543 -2.768 1.00 1.00 H new ATOM 0 HE21 GLN A 38 40.521 -2.017 -3.676 1.00 1.00 H new ATOM 0 HE22 GLN A 38 38.821 -2.154 -3.216 1.00 1.00 H new ATOM 565 N ALA A 39 42.219 2.031 1.012 1.00 1.00 N ATOM 566 CA ALA A 39 42.016 3.409 1.450 1.00 1.00 C ATOM 567 C ALA A 39 43.374 4.117 1.428 1.00 1.00 C ATOM 568 O ALA A 39 43.542 5.149 0.776 1.00 1.00 O ATOM 569 CB ALA A 39 41.427 3.452 2.861 1.00 1.00 C ATOM 0 H ALA A 39 41.764 1.322 1.587 1.00 1.00 H new ATOM 0 HA ALA A 39 41.313 3.907 0.782 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.285 4.489 3.165 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.467 2.937 2.870 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.109 2.961 3.555 1.00 1.00 H new ATOM 575 N ARG A 40 44.351 3.530 2.133 1.00 1.00 N ATOM 576 CA ARG A 40 45.715 4.078 2.179 1.00 1.00 C ATOM 577 C ARG A 40 46.277 4.215 0.766 1.00 1.00 C ATOM 578 O ARG A 40 47.348 4.768 0.548 1.00 1.00 O ATOM 579 CB ARG A 40 46.612 3.178 3.043 1.00 1.00 C ATOM 580 CG ARG A 40 47.916 3.902 3.390 1.00 1.00 C ATOM 581 CD ARG A 40 48.791 3.001 4.263 1.00 1.00 C ATOM 582 NE ARG A 40 49.974 3.730 4.710 1.00 1.00 N ATOM 583 CZ ARG A 40 51.052 3.827 3.935 1.00 1.00 C ATOM 584 NH1 ARG A 40 51.047 3.297 2.744 1.00 1.00 N ATOM 585 NH2 ARG A 40 52.113 4.455 4.365 1.00 1.00 N ATOM 0 H ARG A 40 44.223 2.678 2.678 1.00 1.00 H new ATOM 0 HA ARG A 40 45.687 5.070 2.630 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.088 2.901 3.958 1.00 1.00 H new ATOM 0 HB3 ARG A 40 46.832 2.253 2.510 1.00 1.00 H new ATOM 0 HG2 ARG A 40 48.449 4.168 2.477 1.00 1.00 H new ATOM 0 HG3 ARG A 40 47.698 4.832 3.915 1.00 1.00 H new ATOM 0 HD2 ARG A 40 48.222 2.653 5.125 1.00 1.00 H new ATOM 0 HD3 ARG A 40 49.090 2.117 3.701 1.00 1.00 H new ATOM 0 HE ARG A 40 49.975 4.171 5.630 1.00 1.00 H new ATOM 0 HH11 ARG A 40 50.218 2.809 2.407 1.00 1.00 H new ATOM 0 HH12 ARG A 40 51.873 3.371 2.149 1.00 1.00 H new ATOM 0 HH21 ARG A 40 52.117 4.872 5.296 1.00 1.00 H new ATOM 0 HH22 ARG A 40 52.938 4.528 3.770 1.00 1.00 H new ATOM 599 N GLY A 41 45.498 3.727 -0.167 1.00 1.00 N ATOM 600 CA GLY A 41 45.837 3.817 -1.581 1.00 1.00 C ATOM 601 C GLY A 41 45.497 5.218 -2.088 1.00 1.00 C ATOM 602 O GLY A 41 46.355 5.944 -2.599 1.00 1.00 O ATOM 0 H GLY A 41 44.613 3.257 0.022 1.00 1.00 H new ATOM 0 HA2 GLY A 41 46.897 3.611 -1.727 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.285 3.067 -2.148 1.00 1.00 H new ATOM 606 N TRP A 42 44.219 5.556 -1.975 1.00 1.00 N ATOM 607 CA TRP A 42 43.706 6.846 -2.462 1.00 1.00 C ATOM 608 C TRP A 42 44.672 7.985 -2.152 1.00 1.00 C ATOM 609 O TRP A 42 44.646 9.030 -2.804 1.00 1.00 O ATOM 610 CB TRP A 42 42.340 7.156 -1.837 1.00 1.00 C ATOM 611 CG TRP A 42 41.478 5.931 -1.852 1.00 1.00 C ATOM 612 CD1 TRP A 42 41.591 4.905 -2.729 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.374 5.587 -0.963 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.634 3.953 -2.429 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.860 4.327 -1.349 1.00 1.00 C ATOM 616 CE3 TRP A 42 39.778 6.239 0.132 1.00 1.00 C ATOM 617 CZ2 TRP A 42 38.792 3.733 -0.672 1.00 1.00 C ATOM 618 CZ3 TRP A 42 38.703 5.645 0.814 1.00 1.00 C ATOM 619 CH2 TRP A 42 38.212 4.394 0.414 1.00 1.00 C ATOM 0 H TRP A 42 43.510 4.958 -1.550 1.00 1.00 H new ATOM 0 HA TRP A 42 43.601 6.763 -3.544 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.471 7.506 -0.813 1.00 1.00 H new ATOM 0 HB3 TRP A 42 41.853 7.960 -2.389 1.00 1.00 H new ATOM 0 HD1 TRP A 42 42.311 4.841 -3.531 1.00 1.00 H new ATOM 0 HE1 TRP A 42 40.515 3.080 -2.943 1.00 1.00 H new ATOM 0 HE3 TRP A 42 40.149 7.202 0.450 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.417 2.770 -0.986 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 38.252 6.155 1.652 1.00 1.00 H new ATOM 0 HH2 TRP A 42 37.387 3.942 0.944 1.00 1.00 H new ATOM 630 N VAL A 43 45.535 7.762 -1.178 1.00 1.00 N ATOM 631 CA VAL A 43 46.530 8.760 -0.797 1.00 1.00 C ATOM 632 C VAL A 43 47.471 9.053 -1.971 1.00 1.00 C ATOM 633 O VAL A 43 47.779 10.205 -2.268 1.00 1.00 O ATOM 634 CB VAL A 43 47.321 8.266 0.417 1.00 1.00 C ATOM 635 CG1 VAL A 43 46.353 7.648 1.430 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.343 7.212 -0.023 1.00 1.00 C ATOM 0 H VAL A 43 45.571 6.900 -0.634 1.00 1.00 H new ATOM 0 HA VAL A 43 46.020 9.686 -0.531 1.00 1.00 H new ATOM 0 HB VAL A 43 47.847 9.104 0.874 1.00 1.00 H new ATOM 0 HG11 VAL A 43 46.911 7.294 2.297 1.00 1.00 H new ATOM 0 HG12 VAL A 43 45.629 8.399 1.746 1.00 1.00 H new ATOM 0 HG13 VAL A 43 45.830 6.810 0.969 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.903 6.864 0.845 1.00 1.00 H new ATOM 0 HG22 VAL A 43 47.823 6.370 -0.481 1.00 1.00 H new ATOM 0 HG23 VAL A 43 49.030 7.651 -0.746 1.00 1.00 H new ATOM 646 N THR A 44 47.932 7.981 -2.610 1.00 1.00 N ATOM 647 CA THR A 44 48.855 8.106 -3.728 1.00 1.00 C ATOM 648 C THR A 44 48.194 8.902 -4.841 1.00 1.00 C ATOM 649 O THR A 44 48.820 9.763 -5.461 1.00 1.00 O ATOM 650 CB THR A 44 49.268 6.726 -4.251 1.00 1.00 C ATOM 651 OG1 THR A 44 48.109 5.953 -4.527 1.00 1.00 O ATOM 652 CG2 THR A 44 50.128 6.016 -3.204 1.00 1.00 C ATOM 0 H THR A 44 47.681 7.021 -2.372 1.00 1.00 H new ATOM 0 HA THR A 44 49.751 8.624 -3.386 1.00 1.00 H new ATOM 0 HB THR A 44 49.845 6.845 -5.168 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.659 5.727 -3.686 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.421 5.035 -3.578 1.00 1.00 H new ATOM 0 HG22 THR A 44 51.020 6.609 -3.004 1.00 1.00 H new ATOM 0 HG23 THR A 44 49.557 5.898 -2.283 1.00 1.00 H new ATOM 660 N ASP A 45 46.922 8.622 -5.081 1.00 1.00 N ATOM 661 CA ASP A 45 46.185 9.331 -6.112 1.00 1.00 C ATOM 662 C ASP A 45 45.783 10.719 -5.618 1.00 1.00 C ATOM 663 O ASP A 45 45.020 11.423 -6.279 1.00 1.00 O ATOM 664 CB ASP A 45 44.937 8.539 -6.493 1.00 1.00 C ATOM 665 CG ASP A 45 44.232 9.210 -7.666 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.830 10.087 -8.268 1.00 1.00 O ATOM 667 OD2 ASP A 45 43.105 8.836 -7.947 1.00 1.00 O ATOM 0 H ASP A 45 46.384 7.915 -4.580 1.00 1.00 H new ATOM 0 HA ASP A 45 46.825 9.441 -6.987 1.00 1.00 H new ATOM 0 HB2 ASP A 45 45.211 7.518 -6.759 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.262 8.476 -5.640 1.00 1.00 H new ATOM 672 N GLY A 46 46.314 11.120 -4.461 1.00 1.00 N ATOM 673 CA GLY A 46 45.993 12.443 -3.928 1.00 1.00 C ATOM 674 C GLY A 46 44.507 12.543 -3.583 1.00 1.00 C ATOM 675 O GLY A 46 43.824 13.461 -4.037 1.00 1.00 O ATOM 0 H GLY A 46 46.951 10.565 -3.889 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.591 12.636 -3.038 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.253 13.208 -4.660 1.00 1.00 H new ATOM 679 N PHE A 47 44.014 11.620 -2.757 1.00 1.00 N ATOM 680 CA PHE A 47 42.610 11.645 -2.346 1.00 1.00 C ATOM 681 C PHE A 47 42.182 13.059 -1.951 1.00 1.00 C ATOM 682 O PHE A 47 40.990 13.352 -1.851 1.00 1.00 O ATOM 683 CB PHE A 47 42.391 10.675 -1.170 1.00 1.00 C ATOM 684 CG PHE A 47 42.795 11.331 0.140 1.00 1.00 C ATOM 685 CD1 PHE A 47 44.109 11.776 0.318 1.00 1.00 C ATOM 686 CD2 PHE A 47 41.856 11.495 1.169 1.00 1.00 C ATOM 687 CE1 PHE A 47 44.487 12.384 1.520 1.00 1.00 C ATOM 688 CE2 PHE A 47 42.234 12.103 2.372 1.00 1.00 C ATOM 689 CZ PHE A 47 43.551 12.545 2.548 1.00 1.00 C ATOM 0 H PHE A 47 44.559 10.853 -2.363 1.00 1.00 H new ATOM 0 HA PHE A 47 41.998 11.329 -3.190 1.00 1.00 H new ATOM 0 HB2 PHE A 47 41.344 10.376 -1.127 1.00 1.00 H new ATOM 0 HB3 PHE A 47 42.975 9.768 -1.325 1.00 1.00 H new ATOM 0 HD1 PHE A 47 44.833 11.650 -0.474 1.00 1.00 H new ATOM 0 HD2 PHE A 47 40.841 11.152 1.033 1.00 1.00 H new ATOM 0 HE1 PHE A 47 45.501 12.729 1.655 1.00 1.00 H new ATOM 0 HE2 PHE A 47 41.511 12.231 3.164 1.00 1.00 H new ATOM 0 HZ PHE A 47 43.845 13.010 3.477 1.00 1.00 H new ATOM 699 N SER A 48 43.164 13.923 -1.702 1.00 1.00 N ATOM 700 CA SER A 48 42.874 15.291 -1.286 1.00 1.00 C ATOM 701 C SER A 48 41.788 15.894 -2.158 1.00 1.00 C ATOM 702 O SER A 48 41.042 16.768 -1.718 1.00 1.00 O ATOM 703 CB SER A 48 44.130 16.157 -1.369 1.00 1.00 C ATOM 704 OG SER A 48 45.146 15.581 -0.562 1.00 1.00 O ATOM 0 H SER A 48 44.157 13.702 -1.780 1.00 1.00 H new ATOM 0 HA SER A 48 42.529 15.261 -0.253 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.468 16.231 -2.403 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.911 17.170 -1.032 1.00 1.00 H new ATOM 0 HG SER A 48 45.955 16.131 -0.613 1.00 1.00 H new ATOM 710 N SER A 49 41.706 15.439 -3.399 1.00 1.00 N ATOM 711 CA SER A 49 40.713 15.964 -4.316 1.00 1.00 C ATOM 712 C SER A 49 39.327 15.928 -3.686 1.00 1.00 C ATOM 713 O SER A 49 38.391 16.543 -4.200 1.00 1.00 O ATOM 714 CB SER A 49 40.704 15.126 -5.593 1.00 1.00 C ATOM 715 OG SER A 49 39.756 15.668 -6.501 1.00 1.00 O ATOM 0 H SER A 49 42.309 14.715 -3.789 1.00 1.00 H new ATOM 0 HA SER A 49 40.969 16.998 -4.548 1.00 1.00 H new ATOM 0 HB2 SER A 49 41.696 15.120 -6.045 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.453 14.091 -5.361 1.00 1.00 H new ATOM 0 HG SER A 49 39.748 15.134 -7.323 1.00 1.00 H new ATOM 721 N LEU A 50 39.196 15.243 -2.552 1.00 1.00 N ATOM 722 CA LEU A 50 37.912 15.194 -1.860 1.00 1.00 C ATOM 723 C LEU A 50 37.721 16.466 -1.041 1.00 1.00 C ATOM 724 O LEU A 50 36.601 16.937 -0.864 1.00 1.00 O ATOM 725 CB LEU A 50 37.831 13.975 -0.928 1.00 1.00 C ATOM 726 CG LEU A 50 36.419 13.875 -0.316 1.00 1.00 C ATOM 727 CD1 LEU A 50 35.370 13.630 -1.420 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.388 12.726 0.698 1.00 1.00 C ATOM 0 H LEU A 50 39.948 14.723 -2.100 1.00 1.00 H new ATOM 0 HA LEU A 50 37.126 15.111 -2.610 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.061 13.066 -1.483 1.00 1.00 H new ATOM 0 HB3 LEU A 50 38.575 14.062 -0.136 1.00 1.00 H new ATOM 0 HG LEU A 50 36.180 14.813 0.185 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.379 13.562 -0.971 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.391 14.456 -2.131 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.598 12.699 -1.939 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.391 12.652 1.133 1.00 1.00 H new ATOM 0 HD22 LEU A 50 36.635 11.791 0.196 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.115 12.917 1.487 1.00 1.00 H new ATOM 740 N LYS A 51 38.831 17.011 -0.539 1.00 1.00 N ATOM 741 CA LYS A 51 38.787 18.225 0.273 1.00 1.00 C ATOM 742 C LYS A 51 38.135 19.365 -0.499 1.00 1.00 C ATOM 743 O LYS A 51 37.069 19.848 -0.128 1.00 1.00 O ATOM 744 CB LYS A 51 40.206 18.632 0.683 1.00 1.00 C ATOM 745 CG LYS A 51 40.141 19.795 1.677 1.00 1.00 C ATOM 746 CD LYS A 51 41.552 20.133 2.164 1.00 1.00 C ATOM 747 CE LYS A 51 41.482 21.285 3.169 1.00 1.00 C ATOM 748 NZ LYS A 51 42.850 21.589 3.677 1.00 1.00 N ATOM 0 H LYS A 51 39.767 16.631 -0.681 1.00 1.00 H new ATOM 0 HA LYS A 51 38.194 18.020 1.165 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.722 17.784 1.133 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.780 18.924 -0.197 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.690 20.667 1.203 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.507 19.529 2.523 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.007 19.258 2.628 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.183 20.411 1.320 1.00 1.00 H new ATOM 0 HE2 LYS A 51 41.054 22.169 2.695 1.00 1.00 H new ATOM 0 HE3 LYS A 51 40.826 21.019 3.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 42.801 22.372 4.360 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 43.242 20.747 4.144 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 43.463 21.861 2.882 1.00 1.00 H new ATOM 762 N ASP A 52 38.784 19.781 -1.582 1.00 1.00 N ATOM 763 CA ASP A 52 38.251 20.867 -2.402 1.00 1.00 C ATOM 764 C ASP A 52 36.758 20.653 -2.624 1.00 1.00 C ATOM 765 O ASP A 52 35.941 21.509 -2.288 1.00 1.00 O ATOM 766 CB ASP A 52 38.970 20.916 -3.748 1.00 1.00 C ATOM 767 CG ASP A 52 38.961 19.535 -4.388 1.00 1.00 C ATOM 768 OD1 ASP A 52 39.403 18.601 -3.738 1.00 1.00 O ATOM 769 OD2 ASP A 52 38.518 19.429 -5.520 1.00 1.00 O ATOM 0 H ASP A 52 39.667 19.390 -1.910 1.00 1.00 H new ATOM 0 HA ASP A 52 38.411 21.813 -1.884 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.481 21.635 -4.406 1.00 1.00 H new ATOM 0 HB3 ASP A 52 39.996 21.256 -3.610 1.00 1.00 H new ATOM 774 N TYR A 53 36.411 19.512 -3.209 1.00 1.00 N ATOM 775 CA TYR A 53 35.015 19.211 -3.488 1.00 1.00 C ATOM 776 C TYR A 53 34.202 19.303 -2.200 1.00 1.00 C ATOM 777 O TYR A 53 33.086 19.820 -2.200 1.00 1.00 O ATOM 778 CB TYR A 53 34.896 17.802 -4.081 1.00 1.00 C ATOM 779 CG TYR A 53 33.482 17.566 -4.565 1.00 1.00 C ATOM 780 CD1 TYR A 53 33.005 18.272 -5.674 1.00 1.00 C ATOM 781 CD2 TYR A 53 32.650 16.644 -3.912 1.00 1.00 C ATOM 782 CE1 TYR A 53 31.700 18.059 -6.133 1.00 1.00 C ATOM 783 CE2 TYR A 53 31.346 16.431 -4.372 1.00 1.00 C ATOM 784 CZ TYR A 53 30.870 17.138 -5.484 1.00 1.00 C ATOM 785 OH TYR A 53 29.584 16.929 -5.938 1.00 1.00 O ATOM 0 H TYR A 53 37.070 18.788 -3.496 1.00 1.00 H new ATOM 0 HA TYR A 53 34.628 19.933 -4.207 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.597 17.685 -4.907 1.00 1.00 H new ATOM 0 HB3 TYR A 53 35.162 17.058 -3.330 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.644 18.982 -6.177 1.00 1.00 H new ATOM 0 HD2 TYR A 53 33.016 16.099 -3.055 1.00 1.00 H new ATOM 0 HE1 TYR A 53 31.333 18.606 -6.989 1.00 1.00 H new ATOM 0 HE2 TYR A 53 30.706 15.721 -3.870 1.00 1.00 H new ATOM 0 HH TYR A 53 29.144 16.257 -5.376 1.00 1.00 H new ATOM 795 N TRP A 54 34.770 18.817 -1.098 1.00 1.00 N ATOM 796 CA TRP A 54 34.074 18.880 0.185 1.00 1.00 C ATOM 797 C TRP A 54 33.990 20.325 0.662 1.00 1.00 C ATOM 798 O TRP A 54 32.915 20.811 1.010 1.00 1.00 O ATOM 799 CB TRP A 54 34.811 18.032 1.240 1.00 1.00 C ATOM 800 CG TRP A 54 34.316 16.622 1.188 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.869 16.000 0.076 1.00 1.00 C ATOM 802 CD2 TRP A 54 34.193 15.663 2.274 1.00 1.00 C ATOM 803 NE1 TRP A 54 33.478 14.716 0.410 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.660 14.461 1.755 1.00 1.00 C ATOM 805 CE3 TRP A 54 34.492 15.719 3.648 1.00 1.00 C ATOM 806 CZ2 TRP A 54 33.427 13.352 2.569 1.00 1.00 C ATOM 807 CZ3 TRP A 54 34.261 14.605 4.471 1.00 1.00 C ATOM 808 CH2 TRP A 54 33.730 13.425 3.932 1.00 1.00 C ATOM 0 H TRP A 54 35.693 18.383 -1.066 1.00 1.00 H new ATOM 0 HA TRP A 54 33.068 18.483 0.051 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.885 18.058 1.056 1.00 1.00 H new ATOM 0 HB3 TRP A 54 34.648 18.448 2.234 1.00 1.00 H new ATOM 0 HD1 TRP A 54 33.824 16.434 -0.912 1.00 1.00 H new ATOM 0 HE1 TRP A 54 33.102 14.041 -0.255 1.00 1.00 H new ATOM 0 HE3 TRP A 54 34.901 16.624 4.072 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.016 12.445 2.150 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 34.494 14.658 5.524 1.00 1.00 H new ATOM 0 HH2 TRP A 54 33.555 12.571 4.570 1.00 1.00 H new ATOM 819 N SER A 55 35.130 21.008 0.682 1.00 1.00 N ATOM 820 CA SER A 55 35.160 22.395 1.126 1.00 1.00 C ATOM 821 C SER A 55 34.038 23.177 0.457 1.00 1.00 C ATOM 822 O SER A 55 33.392 24.015 1.085 1.00 1.00 O ATOM 823 CB SER A 55 36.510 23.030 0.792 1.00 1.00 C ATOM 824 OG SER A 55 36.664 23.106 -0.616 1.00 1.00 O ATOM 0 H SER A 55 36.034 20.629 0.400 1.00 1.00 H new ATOM 0 HA SER A 55 35.019 22.421 2.207 1.00 1.00 H new ATOM 0 HB2 SER A 55 36.573 24.026 1.229 1.00 1.00 H new ATOM 0 HB3 SER A 55 37.318 22.440 1.225 1.00 1.00 H new ATOM 0 HG SER A 55 36.257 22.318 -1.033 1.00 1.00 H new ATOM 830 N THR A 56 33.788 22.871 -0.812 1.00 1.00 N ATOM 831 CA THR A 56 32.709 23.534 -1.535 1.00 1.00 C ATOM 832 C THR A 56 31.358 22.959 -1.108 1.00 1.00 C ATOM 833 O THR A 56 30.605 23.598 -0.373 1.00 1.00 O ATOM 834 CB THR A 56 32.893 23.351 -3.042 1.00 1.00 C ATOM 835 OG1 THR A 56 34.114 23.956 -3.445 1.00 1.00 O ATOM 836 CG2 THR A 56 31.726 24.004 -3.782 1.00 1.00 C ATOM 0 H THR A 56 34.308 22.180 -1.353 1.00 1.00 H new ATOM 0 HA THR A 56 32.735 24.598 -1.299 1.00 1.00 H new ATOM 0 HB THR A 56 32.920 22.288 -3.280 1.00 1.00 H new ATOM 0 HG1 THR A 56 34.864 23.378 -3.192 1.00 1.00 H new ATOM 0 HG21 THR A 56 31.858 23.873 -4.856 1.00 1.00 H new ATOM 0 HG22 THR A 56 30.791 23.537 -3.471 1.00 1.00 H new ATOM 0 HG23 THR A 56 31.696 25.068 -3.547 1.00 1.00 H new ATOM 844 N VAL A 57 31.049 21.756 -1.595 1.00 1.00 N ATOM 845 CA VAL A 57 29.776 21.106 -1.277 1.00 1.00 C ATOM 846 C VAL A 57 29.401 21.326 0.184 1.00 1.00 C ATOM 847 O VAL A 57 28.433 22.026 0.482 1.00 1.00 O ATOM 848 CB VAL A 57 29.855 19.602 -1.570 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.575 18.911 -1.086 1.00 1.00 C ATOM 850 CG2 VAL A 57 30.006 19.379 -3.078 1.00 1.00 C ATOM 0 H VAL A 57 31.659 21.214 -2.208 1.00 1.00 H new ATOM 0 HA VAL A 57 29.006 21.553 -1.905 1.00 1.00 H new ATOM 0 HB VAL A 57 30.715 19.183 -1.048 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.636 17.843 -1.296 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.463 19.064 -0.013 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.715 19.334 -1.604 1.00 1.00 H new ATOM 0 HG21 VAL A 57 30.062 18.310 -3.284 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.147 19.804 -3.597 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.917 19.864 -3.428 1.00 1.00 H new ATOM 860 N LYS A 58 30.160 20.716 1.093 1.00 1.00 N ATOM 861 CA LYS A 58 29.888 20.846 2.522 1.00 1.00 C ATOM 862 C LYS A 58 29.453 22.266 2.863 1.00 1.00 C ATOM 863 O LYS A 58 28.327 22.494 3.297 1.00 1.00 O ATOM 864 CB LYS A 58 31.150 20.493 3.307 1.00 1.00 C ATOM 865 CG LYS A 58 30.842 20.473 4.803 1.00 1.00 C ATOM 866 CD LYS A 58 32.107 20.097 5.575 1.00 1.00 C ATOM 867 CE LYS A 58 31.797 20.066 7.070 1.00 1.00 C ATOM 868 NZ LYS A 58 30.800 18.994 7.347 1.00 1.00 N ATOM 0 H LYS A 58 30.964 20.130 0.866 1.00 1.00 H new ATOM 0 HA LYS A 58 29.080 20.166 2.790 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.525 19.520 2.991 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.934 21.220 3.098 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.483 21.450 5.125 1.00 1.00 H new ATOM 0 HG3 LYS A 58 30.048 19.757 5.013 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.471 19.123 5.247 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.899 20.818 5.371 1.00 1.00 H new ATOM 0 HE2 LYS A 58 32.709 19.885 7.638 1.00 1.00 H new ATOM 0 HE3 LYS A 58 31.408 21.032 7.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 30.848 18.727 8.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 29.845 19.342 7.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 31.010 18.164 6.757 1.00 1.00 H new ATOM 882 N ASP A 59 30.355 23.213 2.670 1.00 1.00 N ATOM 883 CA ASP A 59 30.053 24.603 2.967 1.00 1.00 C ATOM 884 C ASP A 59 28.864 25.082 2.139 1.00 1.00 C ATOM 885 O ASP A 59 27.984 25.776 2.649 1.00 1.00 O ATOM 886 CB ASP A 59 31.274 25.476 2.671 1.00 1.00 C ATOM 887 CG ASP A 59 30.958 26.937 2.975 1.00 1.00 C ATOM 888 OD1 ASP A 59 29.815 27.223 3.288 1.00 1.00 O ATOM 889 OD2 ASP A 59 31.865 27.748 2.892 1.00 1.00 O ATOM 0 H ASP A 59 31.296 23.047 2.312 1.00 1.00 H new ATOM 0 HA ASP A 59 29.798 24.684 4.024 1.00 1.00 H new ATOM 0 HB2 ASP A 59 32.121 25.146 3.272 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.564 25.368 1.626 1.00 1.00 H new ATOM 894 N LYS A 60 28.857 24.733 0.857 1.00 1.00 N ATOM 895 CA LYS A 60 27.789 25.157 -0.045 1.00 1.00 C ATOM 896 C LYS A 60 26.464 24.529 0.341 1.00 1.00 C ATOM 897 O LYS A 60 25.412 24.922 -0.160 1.00 1.00 O ATOM 898 CB LYS A 60 28.155 24.748 -1.477 1.00 1.00 C ATOM 899 CG LYS A 60 27.270 25.477 -2.493 1.00 1.00 C ATOM 900 CD LYS A 60 27.698 25.083 -3.911 1.00 1.00 C ATOM 901 CE LYS A 60 26.830 25.827 -4.928 1.00 1.00 C ATOM 902 NZ LYS A 60 27.205 25.418 -6.313 1.00 1.00 N ATOM 0 H LYS A 60 29.577 24.159 0.418 1.00 1.00 H new ATOM 0 HA LYS A 60 27.682 26.240 0.024 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.203 24.978 -1.669 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.039 23.670 -1.593 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.223 25.219 -2.332 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.357 26.555 -2.361 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.749 25.326 -4.066 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.596 24.006 -4.048 1.00 1.00 H new ATOM 0 HE2 LYS A 60 25.777 25.610 -4.748 1.00 1.00 H new ATOM 0 HE3 LYS A 60 26.958 26.903 -4.810 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 26.611 25.927 -6.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 28.205 25.647 -6.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 27.061 24.394 -6.424 1.00 1.00 H new ATOM 916 N PHE A 61 26.509 23.569 1.242 1.00 1.00 N ATOM 917 CA PHE A 61 25.287 22.932 1.680 1.00 1.00 C ATOM 918 C PHE A 61 24.435 23.961 2.407 1.00 1.00 C ATOM 919 O PHE A 61 23.215 23.825 2.496 1.00 1.00 O ATOM 920 CB PHE A 61 25.605 21.772 2.624 1.00 1.00 C ATOM 921 CG PHE A 61 24.335 21.032 2.969 1.00 1.00 C ATOM 922 CD1 PHE A 61 23.798 20.105 2.067 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.698 21.267 4.193 1.00 1.00 C ATOM 924 CE1 PHE A 61 22.624 19.414 2.391 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.526 20.575 4.517 1.00 1.00 C ATOM 926 CZ PHE A 61 21.988 19.648 3.616 1.00 1.00 C ATOM 0 H PHE A 61 27.362 23.219 1.678 1.00 1.00 H new ATOM 0 HA PHE A 61 24.750 22.541 0.816 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.316 21.093 2.154 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.076 22.148 3.532 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.289 19.923 1.122 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.111 21.983 4.888 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.209 18.700 1.695 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.036 20.756 5.462 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.083 19.114 3.866 1.00 1.00 H new ATOM 936 N SER A 62 25.092 25.008 2.910 1.00 1.00 N ATOM 937 CA SER A 62 24.374 26.072 3.608 1.00 1.00 C ATOM 938 C SER A 62 23.538 26.906 2.640 1.00 1.00 C ATOM 939 O SER A 62 22.339 27.103 2.844 1.00 1.00 O ATOM 940 CB SER A 62 25.343 26.979 4.367 1.00 1.00 C ATOM 941 OG SER A 62 24.627 27.678 5.376 1.00 1.00 O ATOM 0 H SER A 62 26.102 25.140 2.848 1.00 1.00 H new ATOM 0 HA SER A 62 23.703 25.595 4.322 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.142 26.387 4.814 1.00 1.00 H new ATOM 0 HB3 SER A 62 25.814 27.684 3.682 1.00 1.00 H new ATOM 0 HG SER A 62 25.241 28.261 5.869 1.00 1.00 H new ATOM 947 N GLU A 63 24.192 27.409 1.593 1.00 1.00 N ATOM 948 CA GLU A 63 23.521 28.244 0.602 1.00 1.00 C ATOM 949 C GLU A 63 22.594 27.420 -0.277 1.00 1.00 C ATOM 950 O GLU A 63 21.596 27.929 -0.789 1.00 1.00 O ATOM 951 CB GLU A 63 24.556 28.951 -0.272 1.00 1.00 C ATOM 952 CG GLU A 63 23.852 29.914 -1.232 1.00 1.00 C ATOM 953 CD GLU A 63 24.884 30.656 -2.071 1.00 1.00 C ATOM 954 OE1 GLU A 63 26.037 30.259 -2.042 1.00 1.00 O ATOM 955 OE2 GLU A 63 24.507 31.611 -2.730 1.00 1.00 O ATOM 0 H GLU A 63 25.183 27.252 1.411 1.00 1.00 H new ATOM 0 HA GLU A 63 22.923 28.983 1.136 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.262 29.498 0.354 1.00 1.00 H new ATOM 0 HB3 GLU A 63 25.132 28.217 -0.836 1.00 1.00 H new ATOM 0 HG2 GLU A 63 23.172 29.362 -1.881 1.00 1.00 H new ATOM 0 HG3 GLU A 63 23.248 30.626 -0.669 1.00 1.00 H new ATOM 962 N PHE A 64 22.940 26.158 -0.482 1.00 1.00 N ATOM 963 CA PHE A 64 22.140 25.301 -1.340 1.00 1.00 C ATOM 964 C PHE A 64 20.707 25.226 -0.831 1.00 1.00 C ATOM 965 O PHE A 64 19.834 24.668 -1.495 1.00 1.00 O ATOM 966 CB PHE A 64 22.754 23.897 -1.363 1.00 1.00 C ATOM 967 CG PHE A 64 21.919 22.987 -2.232 1.00 1.00 C ATOM 968 CD1 PHE A 64 21.964 23.117 -3.625 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.103 22.009 -1.647 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.195 22.271 -4.432 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.334 21.163 -2.454 1.00 1.00 C ATOM 972 CZ PHE A 64 20.381 21.294 -3.848 1.00 1.00 C ATOM 0 H PHE A 64 23.759 25.710 -0.071 1.00 1.00 H new ATOM 0 HA PHE A 64 22.129 25.717 -2.348 1.00 1.00 H new ATOM 0 HB2 PHE A 64 23.774 23.943 -1.744 1.00 1.00 H new ATOM 0 HB3 PHE A 64 22.809 23.498 -0.350 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.592 23.870 -4.077 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.068 21.908 -0.572 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.230 22.372 -5.507 1.00 1.00 H new ATOM 0 HE2 PHE A 64 19.705 20.410 -2.003 1.00 1.00 H new ATOM 0 HZ PHE A 64 19.789 20.641 -4.472 1.00 1.00 H new ATOM 982 N TRP A 65 20.463 25.802 0.342 1.00 1.00 N ATOM 983 CA TRP A 65 19.119 25.797 0.904 1.00 1.00 C ATOM 984 C TRP A 65 18.258 26.885 0.247 1.00 1.00 C ATOM 985 O TRP A 65 17.173 26.609 -0.260 1.00 1.00 O ATOM 986 CB TRP A 65 19.207 26.035 2.413 1.00 1.00 C ATOM 987 CG TRP A 65 17.860 25.867 3.026 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.167 24.708 3.070 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.036 26.864 3.693 1.00 1.00 C ATOM 990 NE1 TRP A 65 15.963 24.932 3.710 1.00 1.00 N ATOM 991 CE2 TRP A 65 15.836 26.246 4.114 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.209 28.234 3.966 1.00 1.00 C ATOM 993 CZ2 TRP A 65 14.842 26.961 4.782 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.212 28.955 4.639 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.031 28.319 5.047 1.00 1.00 C ATOM 0 H TRP A 65 21.166 26.271 0.913 1.00 1.00 H new ATOM 0 HA TRP A 65 18.652 24.831 0.712 1.00 1.00 H new ATOM 0 HB2 TRP A 65 19.911 25.334 2.861 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.585 27.038 2.612 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.500 23.761 2.670 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.255 24.214 3.865 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.115 28.733 3.655 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 13.933 26.468 5.092 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 16.355 30.006 4.844 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.268 28.879 5.566 1.00 1.00 H new ATOM 1006 N ASP A 66 18.774 28.116 0.236 1.00 1.00 N ATOM 1007 CA ASP A 66 18.079 29.253 -0.385 1.00 1.00 C ATOM 1008 C ASP A 66 18.432 29.351 -1.860 1.00 1.00 C ATOM 1009 O ASP A 66 19.563 29.661 -2.228 1.00 1.00 O ATOM 1010 CB ASP A 66 18.461 30.554 0.331 1.00 1.00 C ATOM 1011 CG ASP A 66 17.797 30.611 1.703 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.873 29.845 1.922 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.219 31.421 2.515 1.00 1.00 O ATOM 0 H ASP A 66 19.675 28.355 0.651 1.00 1.00 H new ATOM 0 HA ASP A 66 17.004 29.096 -0.294 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.544 30.614 0.440 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.153 31.412 -0.267 1.00 1.00 H new ATOM 1018 N LEU A 67 17.443 29.094 -2.692 1.00 1.00 N ATOM 1019 CA LEU A 67 17.601 29.152 -4.138 1.00 1.00 C ATOM 1020 C LEU A 67 17.244 30.547 -4.635 1.00 1.00 C ATOM 1021 O LEU A 67 17.057 31.473 -3.845 1.00 1.00 O ATOM 1022 CB LEU A 67 16.728 28.085 -4.811 1.00 1.00 C ATOM 1023 CG LEU A 67 17.406 26.705 -4.705 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.687 26.657 -5.567 1.00 1.00 C ATOM 1025 CD2 LEU A 67 17.754 26.423 -3.237 1.00 1.00 C ATOM 0 H LEU A 67 16.504 28.838 -2.388 1.00 1.00 H new ATOM 0 HA LEU A 67 18.639 28.947 -4.398 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.747 28.055 -4.337 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.569 28.341 -5.858 1.00 1.00 H new ATOM 0 HG LEU A 67 16.718 25.944 -5.073 1.00 1.00 H new ATOM 0 HD11 LEU A 67 19.149 25.674 -5.477 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.431 26.844 -6.610 1.00 1.00 H new ATOM 0 HD13 LEU A 67 19.386 27.419 -5.223 1.00 1.00 H new ATOM 0 HD21 LEU A 67 18.234 25.448 -3.158 1.00 1.00 H new ATOM 0 HD22 LEU A 67 18.433 27.192 -2.870 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.842 26.429 -2.639 1.00 1.00 H new ATOM 1037 N ASP A 68 17.186 30.699 -5.942 1.00 1.00 N ATOM 1038 CA ASP A 68 16.889 31.994 -6.543 1.00 1.00 C ATOM 1039 C ASP A 68 15.551 32.514 -5.995 1.00 1.00 C ATOM 1040 O ASP A 68 14.788 31.762 -5.391 1.00 1.00 O ATOM 1041 CB ASP A 68 16.812 31.781 -8.076 1.00 1.00 C ATOM 1042 CG ASP A 68 18.101 32.238 -8.763 1.00 1.00 C ATOM 1043 OD1 ASP A 68 18.641 33.250 -8.351 1.00 1.00 O ATOM 1044 OD2 ASP A 68 18.526 31.566 -9.689 1.00 1.00 O ATOM 0 H ASP A 68 17.340 29.946 -6.613 1.00 1.00 H new ATOM 0 HA ASP A 68 17.657 32.730 -6.307 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.636 30.727 -8.291 1.00 1.00 H new ATOM 0 HB3 ASP A 68 15.965 32.335 -8.481 1.00 1.00 H new ATOM 1049 N PRO A 69 15.266 33.783 -6.166 1.00 1.00 N ATOM 1050 CA PRO A 69 14.016 34.401 -5.637 1.00 1.00 C ATOM 1051 C PRO A 69 12.787 33.534 -5.926 1.00 1.00 C ATOM 1052 O PRO A 69 11.708 33.777 -5.387 1.00 1.00 O ATOM 1053 CB PRO A 69 13.924 35.761 -6.381 1.00 1.00 C ATOM 1054 CG PRO A 69 15.118 35.825 -7.306 1.00 1.00 C ATOM 1055 CD PRO A 69 16.115 34.775 -6.830 1.00 1.00 C ATOM 0 HA PRO A 69 14.041 34.512 -4.553 1.00 1.00 H new ATOM 0 HB2 PRO A 69 12.993 35.833 -6.943 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.935 36.591 -5.675 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.818 35.631 -8.336 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.567 36.818 -7.287 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.668 34.339 -7.662 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.850 35.199 -6.145 1.00 1.00 H new ATOM 1063 N GLU A 70 12.966 32.508 -6.753 1.00 1.00 N ATOM 1064 CA GLU A 70 11.875 31.592 -7.082 1.00 1.00 C ATOM 1065 C GLU A 70 12.363 30.154 -6.961 1.00 1.00 C ATOM 1066 O GLU A 70 13.228 29.708 -7.713 1.00 1.00 O ATOM 1067 CB GLU A 70 11.372 31.860 -8.505 1.00 1.00 C ATOM 1068 CG GLU A 70 10.816 33.283 -8.594 1.00 1.00 C ATOM 1069 CD GLU A 70 10.364 33.578 -10.022 1.00 1.00 C ATOM 1070 OE1 GLU A 70 10.419 32.671 -10.838 1.00 1.00 O ATOM 1071 OE2 GLU A 70 9.969 34.702 -10.277 1.00 1.00 O ATOM 0 H GLU A 70 13.853 32.289 -7.207 1.00 1.00 H new ATOM 0 HA GLU A 70 11.051 31.751 -6.386 1.00 1.00 H new ATOM 0 HB2 GLU A 70 12.185 31.731 -9.219 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.598 31.139 -8.770 1.00 1.00 H new ATOM 0 HG2 GLU A 70 9.978 33.398 -7.907 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.578 34.000 -8.290 1.00 1.00 H new ATOM 1078 N VAL A 71 11.768 29.423 -6.020 1.00 1.00 N ATOM 1079 CA VAL A 71 12.106 28.020 -5.829 1.00 1.00 C ATOM 1080 C VAL A 71 11.003 27.158 -6.448 1.00 1.00 C ATOM 1081 O VAL A 71 10.022 26.831 -5.782 1.00 1.00 O ATOM 1082 CB VAL A 71 12.200 27.717 -4.328 1.00 1.00 C ATOM 1083 CG1 VAL A 71 12.950 26.397 -4.109 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.931 28.867 -3.619 1.00 1.00 C ATOM 0 H VAL A 71 11.055 29.779 -5.384 1.00 1.00 H new ATOM 0 HA VAL A 71 13.063 27.802 -6.304 1.00 1.00 H new ATOM 0 HB VAL A 71 11.197 27.622 -3.913 1.00 1.00 H new ATOM 0 HG11 VAL A 71 13.013 26.187 -3.041 1.00 1.00 H new ATOM 0 HG12 VAL A 71 12.415 25.588 -4.606 1.00 1.00 H new ATOM 0 HG13 VAL A 71 13.955 26.476 -4.523 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.998 28.653 -2.552 1.00 1.00 H new ATOM 0 HG22 VAL A 71 13.934 28.970 -4.032 1.00 1.00 H new ATOM 0 HG23 VAL A 71 12.380 29.795 -3.768 1.00 1.00 H new ATOM 1094 N ARG A 72 11.173 26.773 -7.720 1.00 1.00 N ATOM 1095 CA ARG A 72 10.181 25.920 -8.400 1.00 1.00 C ATOM 1096 C ARG A 72 10.872 24.664 -8.961 1.00 1.00 C ATOM 1097 O ARG A 72 11.903 24.790 -9.623 1.00 1.00 O ATOM 1098 CB ARG A 72 9.460 26.693 -9.538 1.00 1.00 C ATOM 1099 CG ARG A 72 9.708 28.204 -9.406 1.00 1.00 C ATOM 1100 CD ARG A 72 11.111 28.561 -9.929 1.00 1.00 C ATOM 1101 NE ARG A 72 10.996 29.212 -11.227 1.00 1.00 N ATOM 1102 CZ ARG A 72 11.911 30.076 -11.648 1.00 1.00 C ATOM 1103 NH1 ARG A 72 12.988 30.279 -10.939 1.00 1.00 N ATOM 1104 NH2 ARG A 72 11.729 30.714 -12.768 1.00 1.00 N ATOM 0 H ARG A 72 11.975 27.032 -8.295 1.00 1.00 H new ATOM 0 HA ARG A 72 9.427 25.622 -7.671 1.00 1.00 H new ATOM 0 HB2 ARG A 72 9.818 26.343 -10.506 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.390 26.490 -9.502 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.952 28.754 -9.967 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.613 28.506 -8.363 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.617 29.220 -9.223 1.00 1.00 H new ATOM 0 HD3 ARG A 72 11.719 27.660 -10.015 1.00 1.00 H new ATOM 0 HE ARG A 72 10.197 29.000 -11.824 1.00 1.00 H new ATOM 0 HH11 ARG A 72 13.125 29.774 -10.063 1.00 1.00 H new ATOM 0 HH12 ARG A 72 13.693 30.943 -11.261 1.00 1.00 H new ATOM 0 HH21 ARG A 72 10.886 30.549 -13.318 1.00 1.00 H new ATOM 0 HH22 ARG A 72 12.429 31.379 -13.096 1.00 1.00 H new ATOM 1118 N PRO A 73 10.345 23.472 -8.749 1.00 1.00 N ATOM 1119 CA PRO A 73 10.981 22.246 -9.301 1.00 1.00 C ATOM 1120 C PRO A 73 11.060 22.298 -10.830 1.00 1.00 C ATOM 1121 O PRO A 73 11.764 21.498 -11.447 1.00 1.00 O ATOM 1122 CB PRO A 73 10.077 21.071 -8.854 1.00 1.00 C ATOM 1123 CG PRO A 73 8.919 21.651 -8.084 1.00 1.00 C ATOM 1124 CD PRO A 73 9.128 23.172 -7.961 1.00 1.00 C ATOM 0 HA PRO A 73 12.004 22.140 -8.940 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.720 20.513 -9.719 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.637 20.372 -8.233 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.980 21.438 -8.594 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.855 21.196 -7.096 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.267 23.718 -8.346 1.00 1.00 H new ATOM 0 HD3 PRO A 73 9.253 23.467 -6.919 1.00 1.00 H new ATOM 1132 N THR A 74 10.305 23.214 -11.439 1.00 1.00 N ATOM 1133 CA THR A 74 10.287 23.315 -12.901 1.00 1.00 C ATOM 1134 C THR A 74 11.501 24.043 -13.436 1.00 1.00 C ATOM 1135 O THR A 74 12.340 23.453 -14.116 1.00 1.00 O ATOM 1136 CB THR A 74 9.014 24.030 -13.363 1.00 1.00 C ATOM 1137 OG1 THR A 74 9.038 25.377 -12.910 1.00 1.00 O ATOM 1138 CG2 THR A 74 7.794 23.315 -12.787 1.00 1.00 C ATOM 0 H THR A 74 9.708 23.885 -10.955 1.00 1.00 H new ATOM 0 HA THR A 74 10.306 22.299 -13.296 1.00 1.00 H new ATOM 0 HB THR A 74 8.960 24.016 -14.452 1.00 1.00 H new ATOM 0 HG1 THR A 74 8.225 25.836 -13.206 1.00 1.00 H new ATOM 0 HG21 THR A 74 6.887 23.822 -13.115 1.00 1.00 H new ATOM 0 HG22 THR A 74 7.779 22.283 -13.136 1.00 1.00 H new ATOM 0 HG23 THR A 74 7.845 23.329 -11.698 1.00 1.00 H new ATOM 1146 N SER A 75 11.582 25.327 -13.155 1.00 1.00 N ATOM 1147 CA SER A 75 12.693 26.121 -13.644 1.00 1.00 C ATOM 1148 C SER A 75 14.008 25.576 -13.108 1.00 1.00 C ATOM 1149 O SER A 75 15.027 25.618 -13.793 1.00 1.00 O ATOM 1150 CB SER A 75 12.524 27.573 -13.212 1.00 1.00 C ATOM 1151 OG SER A 75 11.226 28.022 -13.578 1.00 1.00 O ATOM 0 H SER A 75 10.900 25.840 -12.596 1.00 1.00 H new ATOM 0 HA SER A 75 12.707 26.069 -14.733 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.662 27.663 -12.135 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.284 28.196 -13.684 1.00 1.00 H new ATOM 0 HG SER A 75 11.299 28.675 -14.305 1.00 1.00 H new ATOM 1157 N ALA A 76 13.983 25.064 -11.885 1.00 1.00 N ATOM 1158 CA ALA A 76 15.192 24.512 -11.289 1.00 1.00 C ATOM 1159 C ALA A 76 15.811 23.482 -12.225 1.00 1.00 C ATOM 1160 O ALA A 76 16.935 23.653 -12.695 1.00 1.00 O ATOM 1161 CB ALA A 76 14.868 23.864 -9.943 1.00 1.00 C ATOM 0 H ALA A 76 13.153 25.019 -11.294 1.00 1.00 H new ATOM 0 HA ALA A 76 15.905 25.321 -11.128 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.780 23.455 -9.507 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.448 24.612 -9.271 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.145 23.062 -10.090 1.00 1.00 H new ATOM 1167 N VAL A 77 15.079 22.401 -12.476 1.00 1.00 N ATOM 1168 CA VAL A 77 15.587 21.347 -13.344 1.00 1.00 C ATOM 1169 C VAL A 77 15.845 21.908 -14.739 1.00 1.00 C ATOM 1170 O VAL A 77 16.924 21.718 -15.300 1.00 1.00 O ATOM 1171 CB VAL A 77 14.574 20.201 -13.433 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.026 19.189 -14.492 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.474 19.504 -12.075 1.00 1.00 C ATOM 0 H VAL A 77 14.147 22.234 -12.097 1.00 1.00 H new ATOM 0 HA VAL A 77 16.519 20.966 -12.926 1.00 1.00 H new ATOM 0 HB VAL A 77 13.600 20.603 -13.712 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.302 18.376 -14.551 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.096 19.683 -15.461 1.00 1.00 H new ATOM 0 HG13 VAL A 77 16.001 18.787 -14.218 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.754 18.688 -12.137 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.450 19.106 -11.798 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.147 20.221 -11.321 1.00 1.00 H new ATOM 1183 N ALA A 78 14.861 22.612 -15.289 1.00 1.00 N ATOM 1184 CA ALA A 78 15.016 23.205 -16.614 1.00 1.00 C ATOM 1185 C ALA A 78 16.070 24.310 -16.583 1.00 1.00 C ATOM 1186 O ALA A 78 16.460 24.843 -17.622 1.00 1.00 O ATOM 1187 CB ALA A 78 13.678 23.775 -17.084 1.00 1.00 C ATOM 0 H ALA A 78 13.959 22.785 -14.846 1.00 1.00 H new ATOM 0 HA ALA A 78 15.343 22.432 -17.309 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.798 24.217 -18.073 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.938 22.976 -17.131 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.342 24.540 -16.384 1.00 1.00 H new ATOM 1193 N ALA A 79 16.520 24.646 -15.379 1.00 1.00 N ATOM 1194 CA ALA A 79 17.522 25.694 -15.210 1.00 1.00 C ATOM 1195 C ALA A 79 17.918 25.836 -13.743 1.00 1.00 C ATOM 1196 O ALA A 79 17.278 26.610 -13.050 1.00 1.00 O ATOM 1197 CB ALA A 79 16.967 27.025 -15.720 1.00 1.00 C ATOM 1198 OXT ALA A 79 18.854 25.168 -13.335 1.00 1.00 O ATOM 0 H ALA A 79 16.210 24.211 -14.510 1.00 1.00 H new ATOM 0 HA ALA A 79 18.407 25.419 -15.784 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.718 27.805 -15.592 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.715 26.933 -16.777 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.072 27.286 -15.155 1.00 1.00 H new