USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 607 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 77 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= 1.06 X(o=1.1,f=0.72) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -164:sc= 2.32 (180deg=0.625) USER MOD Set 2.2: A 82 THR OG1 : rot -58:sc= 1.92 USER MOD Single : A 22 CYS SG : rot 15:sc= 0.34 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00664 X(o=-0.0066,f=-0.00027) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 33 HIS : no HE2:sc= 0.908 K(o=0.91,f=-3.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 49 SER OG : rot 76:sc= 0.414 USER MOD Single : A 54 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.76) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc=-0.00581 (180deg=-0.0837) USER MOD Single : A 63 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.39) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=-0.035) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.5) USER MOD Single : A 78 THR OG1 : rot 82:sc= 1.05 USER MOD Single : A 84 GLN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.7 K(o=-1.7,f=0.022) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -3.967 -5.771 -12.629 1.00 72.01 N ATOM 80 CA ILE A 7 -2.885 -4.985 -12.114 1.00 34.32 C ATOM 81 C ILE A 7 -3.137 -3.590 -12.615 1.00 2.52 C ATOM 82 O ILE A 7 -3.612 -3.403 -13.741 1.00 43.31 O ATOM 83 CB ILE A 7 -1.492 -5.466 -12.609 1.00 33.03 C ATOM 84 CG1 ILE A 7 -1.157 -6.906 -12.124 1.00 2.21 C ATOM 85 CG2 ILE A 7 -0.410 -4.460 -12.155 1.00 11.24 C ATOM 86 CD1 ILE A 7 -1.939 -8.021 -12.820 1.00 3.14 C ATOM 0 HA ILE A 7 -2.856 -5.060 -11.027 1.00 34.32 H new ATOM 0 HB ILE A 7 -1.515 -5.507 -13.698 1.00 33.03 H new ATOM 0 HG12 ILE A 7 -0.092 -7.084 -12.271 1.00 2.21 H new ATOM 0 HG13 ILE A 7 -1.345 -6.965 -11.052 1.00 2.21 H new ATOM 0 HG21 ILE A 7 0.567 -4.796 -12.501 1.00 11.24 H new ATOM 0 HG22 ILE A 7 -0.626 -3.478 -12.576 1.00 11.24 H new ATOM 0 HG23 ILE A 7 -0.407 -4.395 -11.067 1.00 11.24 H new ATOM 0 HD11 ILE A 7 -1.636 -8.986 -12.414 1.00 3.14 H new ATOM 0 HD12 ILE A 7 -3.006 -7.876 -12.653 1.00 3.14 H new ATOM 0 HD13 ILE A 7 -1.733 -7.997 -13.890 1.00 3.14 H new ATOM 98 N PHE A 8 -2.868 -2.584 -11.773 1.00 62.52 N ATOM 99 CA PHE A 8 -3.024 -1.216 -12.171 1.00 71.54 C ATOM 100 C PHE A 8 -2.149 -0.433 -11.249 1.00 30.14 C ATOM 101 O PHE A 8 -1.787 -0.925 -10.178 1.00 73.13 O ATOM 102 CB PHE A 8 -4.502 -0.662 -12.105 1.00 11.40 C ATOM 103 CG PHE A 8 -5.129 -0.912 -10.733 1.00 64.35 C ATOM 104 CD1 PHE A 8 -5.428 -2.234 -10.282 1.00 24.42 C ATOM 105 CD2 PHE A 8 -5.456 0.181 -9.890 1.00 11.13 C ATOM 106 CE1 PHE A 8 -6.001 -2.442 -9.016 1.00 43.45 C ATOM 107 CE2 PHE A 8 -6.057 -0.043 -8.631 1.00 50.15 C ATOM 108 CZ PHE A 8 -6.320 -1.353 -8.196 1.00 52.45 C ATOM 0 H PHE A 8 -2.542 -2.712 -10.815 1.00 62.52 H new ATOM 0 HA PHE A 8 -2.754 -1.127 -13.223 1.00 71.54 H new ATOM 0 HB2 PHE A 8 -4.502 0.407 -12.318 1.00 11.40 H new ATOM 0 HB3 PHE A 8 -5.106 -1.140 -12.876 1.00 11.40 H new ATOM 0 HD1 PHE A 8 -5.212 -3.079 -10.918 1.00 24.42 H new ATOM 0 HD2 PHE A 8 -5.244 1.190 -10.212 1.00 11.13 H new ATOM 0 HE1 PHE A 8 -6.196 -3.447 -8.674 1.00 43.45 H new ATOM 0 HE2 PHE A 8 -6.315 0.795 -8.001 1.00 50.15 H new ATOM 0 HZ PHE A 8 -6.769 -1.520 -7.228 1.00 52.45 H new ATOM 118 N GLU A 9 -1.766 0.802 -11.637 1.00 13.15 N ATOM 119 CA GLU A 9 -0.929 1.594 -10.773 1.00 4.41 C ATOM 120 C GLU A 9 -1.847 2.593 -10.144 1.00 62.53 C ATOM 121 O GLU A 9 -2.825 3.025 -10.762 1.00 22.20 O ATOM 122 CB GLU A 9 0.193 2.419 -11.485 1.00 23.14 C ATOM 123 CG GLU A 9 1.159 1.601 -12.361 1.00 14.14 C ATOM 124 CD GLU A 9 0.547 1.444 -13.726 1.00 52.14 C ATOM 125 OE1 GLU A 9 0.281 2.481 -14.374 1.00 75.33 O ATOM 126 OE2 GLU A 9 0.315 0.297 -14.158 1.00 3.34 O ATOM 0 H GLU A 9 -2.024 1.244 -12.519 1.00 13.15 H new ATOM 0 HA GLU A 9 -0.420 0.906 -10.097 1.00 4.41 H new ATOM 0 HB2 GLU A 9 -0.278 3.180 -12.107 1.00 23.14 H new ATOM 0 HB3 GLU A 9 0.773 2.942 -10.725 1.00 23.14 H new ATOM 0 HG2 GLU A 9 2.123 2.104 -12.434 1.00 14.14 H new ATOM 0 HG3 GLU A 9 1.342 0.624 -11.913 1.00 14.14 H new ATOM 133 N VAL A 10 -1.543 2.980 -8.919 1.00 25.13 N ATOM 134 CA VAL A 10 -2.281 4.010 -8.253 1.00 63.40 C ATOM 135 C VAL A 10 -1.247 4.959 -7.789 1.00 71.25 C ATOM 136 O VAL A 10 -0.247 4.549 -7.237 1.00 0.53 O ATOM 137 CB VAL A 10 -3.076 3.522 -7.047 1.00 33.15 C ATOM 138 CG1 VAL A 10 -3.861 4.707 -6.445 1.00 51.31 C ATOM 139 CG2 VAL A 10 -4.002 2.377 -7.508 1.00 20.42 C ATOM 0 H VAL A 10 -0.780 2.585 -8.369 1.00 25.13 H new ATOM 0 HA VAL A 10 -3.019 4.433 -8.934 1.00 63.40 H new ATOM 0 HB VAL A 10 -2.421 3.136 -6.266 1.00 33.15 H new ATOM 0 HG11 VAL A 10 -4.432 4.364 -5.582 1.00 51.31 H new ATOM 0 HG12 VAL A 10 -3.164 5.485 -6.133 1.00 51.31 H new ATOM 0 HG13 VAL A 10 -4.543 5.110 -7.194 1.00 51.31 H new ATOM 0 HG21 VAL A 10 -4.581 2.013 -6.659 1.00 20.42 H new ATOM 0 HG22 VAL A 10 -4.680 2.745 -8.278 1.00 20.42 H new ATOM 0 HG23 VAL A 10 -3.400 1.563 -7.913 1.00 20.42 H new ATOM 149 N GLU A 11 -1.444 6.243 -8.036 1.00 52.45 N ATOM 150 CA GLU A 11 -0.499 7.210 -7.589 1.00 53.21 C ATOM 151 C GLU A 11 -1.174 7.997 -6.538 1.00 34.31 C ATOM 152 O GLU A 11 -2.344 8.359 -6.670 1.00 10.15 O ATOM 153 CB GLU A 11 0.054 8.114 -8.710 1.00 55.35 C ATOM 154 CG GLU A 11 -0.999 8.649 -9.691 1.00 45.00 C ATOM 155 CD GLU A 11 -0.293 9.017 -10.971 1.00 11.14 C ATOM 156 OE1 GLU A 11 0.350 8.127 -11.563 1.00 21.25 O ATOM 157 OE2 GLU A 11 -0.374 10.176 -11.394 1.00 75.12 O ATOM 0 H GLU A 11 -2.246 6.622 -8.540 1.00 52.45 H new ATOM 0 HA GLU A 11 0.385 6.700 -7.208 1.00 53.21 H new ATOM 0 HB2 GLU A 11 0.567 8.961 -8.254 1.00 55.35 H new ATOM 0 HB3 GLU A 11 0.801 7.554 -9.272 1.00 55.35 H new ATOM 0 HG2 GLU A 11 -1.763 7.895 -9.880 1.00 45.00 H new ATOM 0 HG3 GLU A 11 -1.506 9.518 -9.271 1.00 45.00 H new ATOM 164 N LEU A 12 -0.471 8.205 -5.417 1.00 30.21 N ATOM 165 CA LEU A 12 -1.054 8.841 -4.274 1.00 2.44 C ATOM 166 C LEU A 12 -0.202 10.018 -3.994 1.00 15.53 C ATOM 167 O LEU A 12 1.027 9.897 -3.917 1.00 43.14 O ATOM 168 CB LEU A 12 -1.056 7.939 -2.998 1.00 33.21 C ATOM 169 CG LEU A 12 -2.468 7.652 -2.445 1.00 14.33 C ATOM 170 CD1 LEU A 12 -3.157 8.925 -1.935 1.00 73.43 C ATOM 171 CD2 LEU A 12 -3.352 6.854 -3.426 1.00 54.02 C ATOM 0 H LEU A 12 0.505 7.933 -5.297 1.00 30.21 H new ATOM 0 HA LEU A 12 -2.094 9.080 -4.494 1.00 2.44 H new ATOM 0 HB2 LEU A 12 -0.567 6.993 -3.231 1.00 33.21 H new ATOM 0 HB3 LEU A 12 -0.462 8.421 -2.222 1.00 33.21 H new ATOM 0 HG LEU A 12 -2.328 7.002 -1.581 1.00 14.33 H new ATOM 0 HD11 LEU A 12 -4.148 8.675 -1.555 1.00 73.43 H new ATOM 0 HD12 LEU A 12 -2.562 9.365 -1.135 1.00 73.43 H new ATOM 0 HD13 LEU A 12 -3.251 9.640 -2.752 1.00 73.43 H new ATOM 0 HD21 LEU A 12 -4.331 6.685 -2.978 1.00 54.02 H new ATOM 0 HD22 LEU A 12 -3.469 7.418 -4.352 1.00 54.02 H new ATOM 0 HD23 LEU A 12 -2.881 5.895 -3.642 1.00 54.02 H new ATOM 183 N ALA A 13 -0.832 11.190 -3.859 1.00 15.22 N ATOM 184 CA ALA A 13 -0.099 12.386 -3.586 1.00 30.11 C ATOM 185 C ALA A 13 -0.044 12.571 -2.107 1.00 71.25 C ATOM 186 O ALA A 13 -1.019 12.347 -1.400 1.00 12.44 O ATOM 187 CB ALA A 13 -0.735 13.654 -4.184 1.00 34.34 C ATOM 0 H ALA A 13 -1.841 11.314 -3.937 1.00 15.22 H new ATOM 0 HA ALA A 13 0.884 12.264 -4.041 1.00 30.11 H new ATOM 0 HB1 ALA A 13 -0.122 14.520 -3.935 1.00 34.34 H new ATOM 0 HB2 ALA A 13 -0.798 13.553 -5.268 1.00 34.34 H new ATOM 0 HB3 ALA A 13 -1.736 13.787 -3.773 1.00 34.34 H new ATOM 193 N LYS A 14 1.112 13.048 -1.621 1.00 44.15 N ATOM 194 CA LYS A 14 1.300 13.457 -0.230 1.00 23.22 C ATOM 195 C LYS A 14 0.819 14.885 -0.120 1.00 14.53 C ATOM 196 O LYS A 14 1.391 15.693 0.617 1.00 13.11 O ATOM 197 CB LYS A 14 2.777 13.408 0.253 1.00 75.03 C ATOM 198 CG LYS A 14 3.264 12.009 0.665 1.00 52.22 C ATOM 199 CD LYS A 14 3.012 10.912 -0.373 1.00 54.30 C ATOM 200 CE LYS A 14 3.725 9.591 -0.061 1.00 12.11 C ATOM 201 NZ LYS A 14 5.185 9.809 0.118 1.00 1.34 N ATOM 0 H LYS A 14 1.949 13.160 -2.193 1.00 44.15 H new ATOM 0 HA LYS A 14 0.745 12.758 0.396 1.00 23.22 H new ATOM 0 HB2 LYS A 14 3.420 13.783 -0.543 1.00 75.03 H new ATOM 0 HB3 LYS A 14 2.892 14.084 1.100 1.00 75.03 H new ATOM 0 HG2 LYS A 14 4.333 12.057 0.870 1.00 52.22 H new ATOM 0 HG3 LYS A 14 2.773 11.728 1.597 1.00 52.22 H new ATOM 0 HD2 LYS A 14 1.940 10.728 -0.441 1.00 54.30 H new ATOM 0 HD3 LYS A 14 3.337 11.268 -1.351 1.00 54.30 H new ATOM 0 HE2 LYS A 14 3.305 9.150 0.843 1.00 12.11 H new ATOM 0 HE3 LYS A 14 3.555 8.881 -0.870 1.00 12.11 H new ATOM 0 HZ1 LYS A 14 5.682 8.897 0.058 1.00 1.34 H new ATOM 0 HZ2 LYS A 14 5.535 10.444 -0.627 1.00 1.34 H new ATOM 0 HZ3 LYS A 14 5.360 10.238 1.049 1.00 1.34 H new ATOM 285 N GLY A 20 -0.310 8.853 6.838 1.00 71.32 N ATOM 286 CA GLY A 20 -1.255 8.141 7.642 1.00 51.23 C ATOM 287 C GLY A 20 -1.619 6.854 6.997 1.00 1.14 C ATOM 288 O GLY A 20 -2.798 6.534 6.874 1.00 50.14 O ATOM 0 HA2 GLY A 20 -0.833 7.954 8.630 1.00 51.23 H new ATOM 0 HA3 GLY A 20 -2.149 8.748 7.787 1.00 51.23 H new ATOM 292 N ILE A 21 -0.615 6.087 6.571 1.00 45.52 N ATOM 293 CA ILE A 21 -0.856 4.789 6.017 1.00 71.24 C ATOM 294 C ILE A 21 -0.019 3.882 6.863 1.00 61.35 C ATOM 295 O ILE A 21 1.014 4.314 7.391 1.00 35.41 O ATOM 296 CB ILE A 21 -0.398 4.669 4.542 1.00 43.34 C ATOM 297 CG1 ILE A 21 -0.942 5.863 3.713 1.00 31.41 C ATOM 298 CG2 ILE A 21 -0.845 3.293 3.965 1.00 42.23 C ATOM 299 CD1 ILE A 21 -0.532 5.827 2.234 1.00 14.53 C ATOM 0 H ILE A 21 0.368 6.358 6.606 1.00 45.52 H new ATOM 0 HA ILE A 21 -1.921 4.557 6.017 1.00 71.24 H new ATOM 0 HB ILE A 21 0.690 4.712 4.487 1.00 43.34 H new ATOM 0 HG12 ILE A 21 -2.030 5.873 3.779 1.00 31.41 H new ATOM 0 HG13 ILE A 21 -0.587 6.793 4.157 1.00 31.41 H new ATOM 0 HG21 ILE A 21 -0.522 3.211 2.927 1.00 42.23 H new ATOM 0 HG22 ILE A 21 -0.396 2.490 4.549 1.00 42.23 H new ATOM 0 HG23 ILE A 21 -1.931 3.213 4.014 1.00 42.23 H new ATOM 0 HD11 ILE A 21 -0.949 6.693 1.720 1.00 14.53 H new ATOM 0 HD12 ILE A 21 0.555 5.848 2.157 1.00 14.53 H new ATOM 0 HD13 ILE A 21 -0.910 4.914 1.774 1.00 14.53 H new ATOM 311 N CYS A 22 -0.420 2.616 6.987 1.00 5.42 N ATOM 312 CA CYS A 22 0.432 1.628 7.591 1.00 71.31 C ATOM 313 C CYS A 22 0.030 0.379 6.925 1.00 23.11 C ATOM 314 O CYS A 22 -0.975 0.347 6.204 1.00 22.01 O ATOM 315 CB CYS A 22 0.198 1.425 9.125 1.00 32.11 C ATOM 316 SG CYS A 22 0.912 2.762 10.150 1.00 31.43 S ATOM 0 H CYS A 22 -1.326 2.266 6.675 1.00 5.42 H new ATOM 0 HA CYS A 22 1.474 1.927 7.481 1.00 71.31 H new ATOM 0 HB2 CYS A 22 -0.873 1.362 9.317 1.00 32.11 H new ATOM 0 HB3 CYS A 22 0.632 0.473 9.429 1.00 32.11 H new ATOM 0 HG CYS A 22 1.199 3.781 9.395 1.00 31.43 H new ATOM 321 N VAL A 23 0.889 -0.638 7.005 1.00 5.25 N ATOM 322 CA VAL A 23 0.790 -1.758 6.139 1.00 31.44 C ATOM 323 C VAL A 23 1.231 -2.927 6.962 1.00 24.53 C ATOM 324 O VAL A 23 1.766 -2.759 8.059 1.00 52.43 O ATOM 325 CB VAL A 23 1.721 -1.634 4.915 1.00 71.24 C ATOM 326 CG1 VAL A 23 0.993 -0.826 3.818 1.00 33.34 C ATOM 327 CG2 VAL A 23 3.040 -0.968 5.358 1.00 34.24 C ATOM 0 H VAL A 23 1.658 -0.686 7.674 1.00 5.25 H new ATOM 0 HA VAL A 23 -0.226 -1.851 5.754 1.00 31.44 H new ATOM 0 HB VAL A 23 1.967 -2.612 4.501 1.00 71.24 H new ATOM 0 HG11 VAL A 23 1.640 -0.731 2.946 1.00 33.34 H new ATOM 0 HG12 VAL A 23 0.076 -1.342 3.534 1.00 33.34 H new ATOM 0 HG13 VAL A 23 0.748 0.166 4.198 1.00 33.34 H new ATOM 0 HG21 VAL A 23 3.707 -0.875 4.501 1.00 34.24 H new ATOM 0 HG22 VAL A 23 2.830 0.022 5.763 1.00 34.24 H new ATOM 0 HG23 VAL A 23 3.517 -1.580 6.124 1.00 34.24 H new ATOM 337 N THR A 24 0.981 -4.123 6.449 1.00 74.02 N ATOM 338 CA THR A 24 1.327 -5.333 7.113 1.00 5.40 C ATOM 339 C THR A 24 1.734 -6.231 5.983 1.00 13.41 C ATOM 340 O THR A 24 1.483 -5.906 4.842 1.00 72.22 O ATOM 341 CB THR A 24 0.143 -5.943 7.905 1.00 62.22 C ATOM 342 OG1 THR A 24 0.519 -7.122 8.642 1.00 65.40 O ATOM 343 CG2 THR A 24 -1.036 -6.260 6.945 1.00 4.32 C ATOM 0 H THR A 24 0.526 -4.263 5.547 1.00 74.02 H new ATOM 0 HA THR A 24 2.104 -5.183 7.862 1.00 5.40 H new ATOM 0 HB THR A 24 -0.172 -5.198 8.636 1.00 62.22 H new ATOM 0 HG1 THR A 24 -0.260 -7.468 9.125 1.00 65.40 H new ATOM 0 HG21 THR A 24 -1.862 -6.688 7.513 1.00 4.32 H new ATOM 0 HG22 THR A 24 -1.367 -5.342 6.459 1.00 4.32 H new ATOM 0 HG23 THR A 24 -0.708 -6.973 6.188 1.00 4.32 H new ATOM 351 N GLY A 25 2.383 -7.355 6.279 1.00 12.13 N ATOM 352 CA GLY A 25 2.770 -8.283 5.231 1.00 51.23 C ATOM 353 C GLY A 25 4.229 -8.467 5.316 1.00 11.50 C ATOM 354 O GLY A 25 4.875 -7.975 6.246 1.00 11.13 O ATOM 0 H GLY A 25 2.647 -7.638 7.223 1.00 12.13 H new ATOM 0 HA2 GLY A 25 2.256 -9.236 5.355 1.00 51.23 H new ATOM 0 HA3 GLY A 25 2.489 -7.894 4.252 1.00 51.23 H new ATOM 358 N GLY A 26 4.797 -9.188 4.338 1.00 12.04 N ATOM 359 CA GLY A 26 6.219 -9.304 4.240 1.00 1.00 C ATOM 360 C GLY A 26 6.578 -10.744 4.302 1.00 13.23 C ATOM 361 O GLY A 26 6.114 -11.546 3.499 1.00 60.54 O ATOM 0 H GLY A 26 4.277 -9.689 3.617 1.00 12.04 H new ATOM 0 HA2 GLY A 26 6.572 -8.865 3.307 1.00 1.00 H new ATOM 0 HA3 GLY A 26 6.701 -8.758 5.051 1.00 1.00 H new ATOM 365 N VAL A 27 7.446 -11.092 5.274 1.00 61.30 N ATOM 366 CA VAL A 27 8.118 -12.384 5.404 1.00 31.32 C ATOM 367 C VAL A 27 7.183 -13.524 5.813 1.00 35.22 C ATOM 368 O VAL A 27 7.651 -14.518 6.360 1.00 72.20 O ATOM 369 CB VAL A 27 9.300 -12.324 6.350 1.00 5.52 C ATOM 370 CG1 VAL A 27 10.375 -11.433 5.688 1.00 25.21 C ATOM 371 CG2 VAL A 27 8.830 -11.788 7.717 1.00 43.51 C ATOM 0 H VAL A 27 7.703 -10.445 6.019 1.00 61.30 H new ATOM 0 HA VAL A 27 8.481 -12.607 4.401 1.00 31.32 H new ATOM 0 HB VAL A 27 9.733 -13.307 6.535 1.00 5.52 H new ATOM 0 HG11 VAL A 27 11.245 -11.366 6.342 1.00 25.21 H new ATOM 0 HG12 VAL A 27 10.671 -11.868 4.734 1.00 25.21 H new ATOM 0 HG13 VAL A 27 9.968 -10.436 5.521 1.00 25.21 H new ATOM 0 HG21 VAL A 27 9.677 -11.743 8.401 1.00 43.51 H new ATOM 0 HG22 VAL A 27 8.411 -10.789 7.592 1.00 43.51 H new ATOM 0 HG23 VAL A 27 8.068 -12.452 8.126 1.00 43.51 H new ATOM 381 N ASN A 28 5.860 -13.369 5.611 1.00 42.44 N ATOM 382 CA ASN A 28 4.860 -14.357 6.057 1.00 44.42 C ATOM 383 C ASN A 28 4.488 -14.029 7.460 1.00 25.12 C ATOM 384 O ASN A 28 4.753 -14.765 8.404 1.00 3.15 O ATOM 385 CB ASN A 28 5.220 -15.886 5.920 1.00 44.34 C ATOM 386 CG ASN A 28 3.963 -16.730 6.156 1.00 5.55 C ATOM 387 OD1 ASN A 28 3.820 -17.375 7.197 1.00 55.43 O ATOM 388 ND2 ASN A 28 3.037 -16.738 5.182 1.00 61.25 N ATOM 0 H ASN A 28 5.457 -12.561 5.137 1.00 42.44 H new ATOM 0 HA ASN A 28 4.030 -14.257 5.357 1.00 44.42 H new ATOM 0 HB2 ASN A 28 5.626 -16.088 4.929 1.00 44.34 H new ATOM 0 HB3 ASN A 28 5.992 -16.155 6.641 1.00 44.34 H new ATOM 0 HD21 ASN A 28 2.186 -17.289 5.292 1.00 61.25 H new ATOM 0 HD22 ASN A 28 3.186 -16.193 4.333 1.00 61.25 H new ATOM 395 N THR A 29 3.848 -12.870 7.579 1.00 72.30 N ATOM 396 CA THR A 29 3.234 -12.444 8.805 1.00 45.33 C ATOM 397 C THR A 29 1.857 -13.121 8.773 1.00 35.20 C ATOM 398 O THR A 29 1.659 -14.064 8.009 1.00 41.10 O ATOM 399 CB THR A 29 3.150 -10.920 8.981 1.00 73.11 C ATOM 400 OG1 THR A 29 2.731 -10.547 10.305 1.00 25.32 O ATOM 401 CG2 THR A 29 2.204 -10.318 7.935 1.00 24.55 C ATOM 0 H THR A 29 3.747 -12.204 6.813 1.00 72.30 H new ATOM 0 HA THR A 29 3.831 -12.733 9.670 1.00 45.33 H new ATOM 0 HB THR A 29 4.154 -10.520 8.835 1.00 73.11 H new ATOM 0 HG1 THR A 29 2.693 -9.570 10.373 1.00 25.32 H new ATOM 0 HG21 THR A 29 2.153 -9.238 8.070 1.00 24.55 H new ATOM 0 HG22 THR A 29 2.577 -10.542 6.936 1.00 24.55 H new ATOM 0 HG23 THR A 29 1.209 -10.746 8.055 1.00 24.55 H new ATOM 409 N SER A 30 0.928 -12.712 9.641 1.00 73.43 N ATOM 410 CA SER A 30 -0.366 -13.375 9.797 1.00 4.45 C ATOM 411 C SER A 30 -1.127 -13.520 8.463 1.00 33.11 C ATOM 412 O SER A 30 -1.981 -14.388 8.338 1.00 43.13 O ATOM 413 CB SER A 30 -1.256 -12.630 10.795 1.00 14.55 C ATOM 414 OG SER A 30 -0.502 -12.353 11.986 1.00 1.34 O ATOM 0 H SER A 30 1.054 -11.909 10.257 1.00 73.43 H new ATOM 0 HA SER A 30 -0.142 -14.373 10.174 1.00 4.45 H new ATOM 0 HB2 SER A 30 -1.617 -11.701 10.355 1.00 14.55 H new ATOM 0 HB3 SER A 30 -2.133 -13.230 11.037 1.00 14.55 H new ATOM 0 HG SER A 30 -1.068 -11.874 12.627 1.00 1.34 H new ATOM 420 N VAL A 31 -0.821 -12.690 7.430 1.00 11.14 N ATOM 421 CA VAL A 31 -1.456 -12.872 6.139 1.00 32.31 C ATOM 422 C VAL A 31 -0.648 -13.928 5.379 1.00 31.35 C ATOM 423 O VAL A 31 0.585 -13.849 5.286 1.00 4.44 O ATOM 424 CB VAL A 31 -1.570 -11.591 5.313 1.00 32.35 C ATOM 425 CG1 VAL A 31 -2.641 -10.699 5.976 1.00 63.32 C ATOM 426 CG2 VAL A 31 -0.190 -10.892 5.213 1.00 4.22 C ATOM 0 H VAL A 31 -0.157 -11.917 7.482 1.00 11.14 H new ATOM 0 HA VAL A 31 -2.485 -13.189 6.308 1.00 32.31 H new ATOM 0 HB VAL A 31 -1.876 -11.807 4.289 1.00 32.35 H new ATOM 0 HG11 VAL A 31 -2.746 -9.774 5.409 1.00 63.32 H new ATOM 0 HG12 VAL A 31 -3.595 -11.226 5.991 1.00 63.32 H new ATOM 0 HG13 VAL A 31 -2.339 -10.466 6.997 1.00 63.32 H new ATOM 0 HG21 VAL A 31 -0.286 -9.981 4.622 1.00 4.22 H new ATOM 0 HG22 VAL A 31 0.164 -10.641 6.213 1.00 4.22 H new ATOM 0 HG23 VAL A 31 0.523 -11.562 4.734 1.00 4.22 H new ATOM 436 N ARG A 32 -1.353 -14.968 4.861 1.00 41.45 N ATOM 437 CA ARG A 32 -0.716 -16.122 4.218 1.00 14.14 C ATOM 438 C ARG A 32 0.055 -15.674 3.015 1.00 43.42 C ATOM 439 O ARG A 32 1.180 -16.101 2.803 1.00 22.04 O ATOM 440 CB ARG A 32 -1.737 -17.199 3.734 1.00 64.24 C ATOM 441 CG ARG A 32 -1.088 -18.357 2.928 1.00 11.20 C ATOM 442 CD ARG A 32 -2.093 -19.369 2.364 1.00 35.01 C ATOM 443 NE ARG A 32 -2.727 -20.094 3.514 1.00 12.12 N ATOM 444 CZ ARG A 32 -2.266 -21.335 3.939 1.00 13.53 C ATOM 445 NH1 ARG A 32 -1.136 -21.890 3.400 1.00 32.13 N ATOM 446 NH2 ARG A 32 -2.945 -22.003 4.909 1.00 43.05 N ATOM 0 H ARG A 32 -2.371 -15.020 4.883 1.00 41.45 H new ATOM 0 HA ARG A 32 -0.072 -16.567 4.976 1.00 14.14 H new ATOM 0 HB2 ARG A 32 -2.251 -17.615 4.601 1.00 64.24 H new ATOM 0 HB3 ARG A 32 -2.494 -16.717 3.115 1.00 64.24 H new ATOM 0 HG2 ARG A 32 -0.514 -17.934 2.104 1.00 11.20 H new ATOM 0 HG3 ARG A 32 -0.382 -18.882 3.572 1.00 11.20 H new ATOM 0 HD2 ARG A 32 -2.853 -18.860 1.771 1.00 35.01 H new ATOM 0 HD3 ARG A 32 -1.591 -20.074 1.701 1.00 35.01 H new ATOM 0 HE ARG A 32 -3.517 -19.665 3.997 1.00 12.12 H new ATOM 0 HH11 ARG A 32 -0.619 -21.392 2.675 1.00 32.13 H new ATOM 0 HH12 ARG A 32 -0.811 -22.801 3.723 1.00 32.13 H new ATOM 0 HH21 ARG A 32 -3.785 -21.593 5.318 1.00 43.05 H new ATOM 0 HH22 ARG A 32 -2.615 -22.914 5.228 1.00 43.05 H new ATOM 460 N HIS A 33 -0.555 -14.820 2.174 1.00 54.34 N ATOM 461 CA HIS A 33 0.031 -14.485 0.874 1.00 31.32 C ATOM 462 C HIS A 33 1.224 -13.560 1.097 1.00 72.11 C ATOM 463 O HIS A 33 1.943 -13.218 0.169 1.00 71.22 O ATOM 464 CB HIS A 33 -0.993 -13.771 -0.065 1.00 52.42 C ATOM 465 CG HIS A 33 -0.671 -13.869 -1.544 1.00 4.34 C ATOM 466 ND1 HIS A 33 0.533 -13.500 -2.073 1.00 73.03 N ATOM 467 CD2 HIS A 33 -1.436 -14.301 -2.570 1.00 60.41 C ATOM 468 CE1 HIS A 33 0.498 -13.695 -3.385 1.00 53.30 C ATOM 469 NE2 HIS A 33 -0.689 -14.185 -3.705 1.00 43.34 N ATOM 0 H HIS A 33 -1.442 -14.357 2.372 1.00 54.34 H new ATOM 0 HA HIS A 33 0.336 -15.414 0.392 1.00 31.32 H new ATOM 0 HB2 HIS A 33 -1.981 -14.197 0.107 1.00 52.42 H new ATOM 0 HB3 HIS A 33 -1.047 -12.718 0.212 1.00 52.42 H new ATOM 0 HD1 HIS A 33 1.327 -13.135 -1.547 1.00 73.03 H new ATOM 0 HD2 HIS A 33 -2.449 -14.669 -2.504 1.00 60.41 H new ATOM 0 HE1 HIS A 33 1.303 -13.489 -4.075 1.00 53.30 H new ATOM 478 N GLY A 34 1.449 -13.140 2.369 1.00 22.11 N ATOM 479 CA GLY A 34 2.570 -12.260 2.731 1.00 41.42 C ATOM 480 C GLY A 34 2.473 -10.936 2.011 1.00 73.32 C ATOM 481 O GLY A 34 3.424 -10.155 2.022 1.00 30.31 O ATOM 0 H GLY A 34 0.860 -13.404 3.159 1.00 22.11 H new ATOM 0 HA2 GLY A 34 2.573 -12.093 3.808 1.00 41.42 H new ATOM 0 HA3 GLY A 34 3.513 -12.746 2.481 1.00 41.42 H new ATOM 485 N GLY A 35 1.321 -10.675 1.349 1.00 13.53 N ATOM 486 CA GLY A 35 1.138 -9.475 0.567 1.00 43.23 C ATOM 487 C GLY A 35 1.176 -8.317 1.474 1.00 32.10 C ATOM 488 O GLY A 35 0.847 -8.434 2.656 1.00 11.10 O ATOM 0 H GLY A 35 0.512 -11.297 1.355 1.00 13.53 H new ATOM 0 HA2 GLY A 35 1.920 -9.391 -0.187 1.00 43.23 H new ATOM 0 HA3 GLY A 35 0.186 -9.510 0.037 1.00 43.23 H new ATOM 492 N ILE A 36 1.604 -7.162 0.944 1.00 1.41 N ATOM 493 CA ILE A 36 1.711 -5.989 1.737 1.00 71.12 C ATOM 494 C ILE A 36 0.328 -5.381 1.758 1.00 41.20 C ATOM 495 O ILE A 36 -0.027 -4.607 0.884 1.00 41.12 O ATOM 496 CB ILE A 36 2.708 -4.979 1.173 1.00 31.15 C ATOM 497 CG1 ILE A 36 4.074 -5.657 0.853 1.00 41.03 C ATOM 498 CG2 ILE A 36 2.838 -3.803 2.156 1.00 2.12 C ATOM 499 CD1 ILE A 36 4.774 -6.279 2.072 1.00 1.44 C ATOM 0 H ILE A 36 1.875 -7.043 -0.032 1.00 1.41 H new ATOM 0 HA ILE A 36 2.078 -6.247 2.730 1.00 71.12 H new ATOM 0 HB ILE A 36 2.344 -4.587 0.224 1.00 31.15 H new ATOM 0 HG12 ILE A 36 3.914 -6.434 0.105 1.00 41.03 H new ATOM 0 HG13 ILE A 36 4.738 -4.917 0.406 1.00 41.03 H new ATOM 0 HG21 ILE A 36 3.548 -3.076 1.762 1.00 2.12 H new ATOM 0 HG22 ILE A 36 1.866 -3.327 2.285 1.00 2.12 H new ATOM 0 HG23 ILE A 36 3.192 -4.171 3.119 1.00 2.12 H new ATOM 0 HD11 ILE A 36 5.717 -6.729 1.760 1.00 1.44 H new ATOM 0 HD12 ILE A 36 4.969 -5.505 2.814 1.00 1.44 H new ATOM 0 HD13 ILE A 36 4.133 -7.045 2.508 1.00 1.44 H new ATOM 511 N TYR A 37 -0.502 -5.771 2.734 1.00 1.02 N ATOM 512 CA TYR A 37 -1.857 -5.287 2.774 1.00 12.15 C ATOM 513 C TYR A 37 -1.833 -4.008 3.527 1.00 64.22 C ATOM 514 O TYR A 37 -1.075 -3.849 4.483 1.00 44.32 O ATOM 515 CB TYR A 37 -2.880 -6.220 3.491 1.00 54.23 C ATOM 516 CG TYR A 37 -3.079 -7.469 2.671 1.00 0.32 C ATOM 517 CD1 TYR A 37 -2.242 -8.589 2.855 1.00 54.51 C ATOM 518 CD2 TYR A 37 -4.128 -7.551 1.718 1.00 1.44 C ATOM 519 CE1 TYR A 37 -2.434 -9.765 2.105 1.00 61.23 C ATOM 520 CE2 TYR A 37 -4.328 -8.733 0.970 1.00 34.31 C ATOM 521 CZ TYR A 37 -3.474 -9.841 1.162 1.00 2.25 C ATOM 522 OH TYR A 37 -3.657 -11.026 0.413 1.00 24.43 O ATOM 0 H TYR A 37 -0.250 -6.410 3.488 1.00 1.02 H new ATOM 0 HA TYR A 37 -2.189 -5.207 1.739 1.00 12.15 H new ATOM 0 HB2 TYR A 37 -2.518 -6.479 4.486 1.00 54.23 H new ATOM 0 HB3 TYR A 37 -3.830 -5.703 3.623 1.00 54.23 H new ATOM 0 HD1 TYR A 37 -1.443 -8.544 3.581 1.00 54.51 H new ATOM 0 HD2 TYR A 37 -4.779 -6.703 1.563 1.00 1.44 H new ATOM 0 HE1 TYR A 37 -1.780 -10.612 2.255 1.00 61.23 H new ATOM 0 HE2 TYR A 37 -5.133 -8.789 0.252 1.00 34.31 H new ATOM 0 HH TYR A 37 -4.419 -10.915 -0.193 1.00 24.43 H new ATOM 532 N VAL A 38 -2.678 -3.058 3.110 1.00 71.13 N ATOM 533 CA VAL A 38 -2.851 -1.830 3.825 1.00 13.42 C ATOM 534 C VAL A 38 -3.538 -2.192 5.119 1.00 44.34 C ATOM 535 O VAL A 38 -4.482 -2.991 5.134 1.00 13.24 O ATOM 536 CB VAL A 38 -3.676 -0.820 3.050 1.00 21.13 C ATOM 537 CG1 VAL A 38 -3.781 0.497 3.849 1.00 1.15 C ATOM 538 CG2 VAL A 38 -3.013 -0.629 1.666 1.00 23.32 C ATOM 0 H VAL A 38 -3.250 -3.137 2.269 1.00 71.13 H new ATOM 0 HA VAL A 38 -1.885 -1.355 3.993 1.00 13.42 H new ATOM 0 HB VAL A 38 -4.697 -1.171 2.899 1.00 21.13 H new ATOM 0 HG11 VAL A 38 -4.375 1.218 3.286 1.00 1.15 H new ATOM 0 HG12 VAL A 38 -4.260 0.303 4.809 1.00 1.15 H new ATOM 0 HG13 VAL A 38 -2.783 0.901 4.017 1.00 1.15 H new ATOM 0 HG21 VAL A 38 -3.586 0.094 1.085 1.00 23.32 H new ATOM 0 HG22 VAL A 38 -1.995 -0.263 1.798 1.00 23.32 H new ATOM 0 HG23 VAL A 38 -2.991 -1.583 1.139 1.00 23.32 H new ATOM 548 N LYS A 39 -3.009 -1.676 6.226 1.00 73.43 N ATOM 549 CA LYS A 39 -3.366 -2.162 7.526 1.00 32.43 C ATOM 550 C LYS A 39 -4.268 -1.154 8.145 1.00 32.32 C ATOM 551 O LYS A 39 -5.288 -1.491 8.742 1.00 52.34 O ATOM 552 CB LYS A 39 -2.115 -2.289 8.422 1.00 41.42 C ATOM 553 CG LYS A 39 -2.349 -2.974 9.759 1.00 65.01 C ATOM 554 CD LYS A 39 -1.102 -2.953 10.637 1.00 62.22 C ATOM 555 CE LYS A 39 -1.327 -3.572 12.016 1.00 72.13 C ATOM 556 NZ LYS A 39 -0.166 -3.326 12.885 1.00 62.11 N ATOM 0 H LYS A 39 -2.328 -0.916 6.232 1.00 73.43 H new ATOM 0 HA LYS A 39 -3.840 -3.139 7.433 1.00 32.43 H new ATOM 0 HB2 LYS A 39 -1.350 -2.842 7.876 1.00 41.42 H new ATOM 0 HB3 LYS A 39 -1.716 -1.292 8.607 1.00 41.42 H new ATOM 0 HG2 LYS A 39 -3.168 -2.480 10.281 1.00 65.01 H new ATOM 0 HG3 LYS A 39 -2.656 -4.006 9.589 1.00 65.01 H new ATOM 0 HD2 LYS A 39 -0.300 -3.490 10.131 1.00 62.22 H new ATOM 0 HD3 LYS A 39 -0.768 -1.923 10.758 1.00 62.22 H new ATOM 0 HE2 LYS A 39 -2.224 -3.150 12.469 1.00 72.13 H new ATOM 0 HE3 LYS A 39 -1.494 -4.645 11.917 1.00 72.13 H new ATOM 0 HZ1 LYS A 39 -0.334 -3.753 13.818 1.00 62.11 H new ATOM 0 HZ2 LYS A 39 0.683 -3.750 12.459 1.00 62.11 H new ATOM 0 HZ3 LYS A 39 -0.024 -2.301 12.993 1.00 62.11 H new ATOM 570 N ALA A 40 -3.893 0.123 8.029 1.00 33.12 N ATOM 571 CA ALA A 40 -4.602 1.155 8.720 1.00 51.43 C ATOM 572 C ALA A 40 -4.456 2.370 7.916 1.00 3.43 C ATOM 573 O ALA A 40 -3.497 2.499 7.144 1.00 64.12 O ATOM 574 CB ALA A 40 -4.041 1.471 10.121 1.00 12.50 C ATOM 0 H ALA A 40 -3.107 0.445 7.464 1.00 33.12 H new ATOM 0 HA ALA A 40 -5.631 0.819 8.853 1.00 51.43 H new ATOM 0 HB1 ALA A 40 -4.633 2.263 10.580 1.00 12.50 H new ATOM 0 HB2 ALA A 40 -4.089 0.577 10.742 1.00 12.50 H new ATOM 0 HB3 ALA A 40 -3.005 1.797 10.033 1.00 12.50 H new ATOM 580 N VAL A 41 -5.416 3.294 8.075 1.00 14.55 N ATOM 581 CA VAL A 41 -5.359 4.547 7.409 1.00 12.43 C ATOM 582 C VAL A 41 -5.798 5.574 8.437 1.00 44.21 C ATOM 583 O VAL A 41 -6.713 5.334 9.234 1.00 72.21 O ATOM 584 CB VAL A 41 -6.272 4.639 6.175 1.00 2.43 C ATOM 585 CG1 VAL A 41 -5.974 5.949 5.416 1.00 23.45 C ATOM 586 CG2 VAL A 41 -6.052 3.387 5.288 1.00 12.35 C ATOM 0 H VAL A 41 -6.235 3.169 8.669 1.00 14.55 H new ATOM 0 HA VAL A 41 -4.349 4.707 7.033 1.00 12.43 H new ATOM 0 HB VAL A 41 -7.321 4.660 6.471 1.00 2.43 H new ATOM 0 HG11 VAL A 41 -6.620 6.017 4.540 1.00 23.45 H new ATOM 0 HG12 VAL A 41 -6.160 6.800 6.071 1.00 23.45 H new ATOM 0 HG13 VAL A 41 -4.931 5.957 5.099 1.00 23.45 H new ATOM 0 HG21 VAL A 41 -6.696 3.445 4.411 1.00 12.35 H new ATOM 0 HG22 VAL A 41 -5.010 3.344 4.971 1.00 12.35 H new ATOM 0 HG23 VAL A 41 -6.295 2.490 5.858 1.00 12.35 H new ATOM 596 N ILE A 42 -5.114 6.722 8.455 1.00 4.32 N ATOM 597 CA ILE A 42 -5.481 7.842 9.310 1.00 4.34 C ATOM 598 C ILE A 42 -6.745 8.471 8.720 1.00 13.13 C ATOM 599 O ILE A 42 -6.916 8.525 7.495 1.00 25.21 O ATOM 600 CB ILE A 42 -4.360 8.871 9.382 1.00 52.41 C ATOM 601 CG1 ILE A 42 -3.260 8.318 10.308 1.00 51.40 C ATOM 602 CG2 ILE A 42 -4.879 10.274 9.820 1.00 1.44 C ATOM 603 CD1 ILE A 42 -2.246 9.362 10.698 1.00 52.34 C ATOM 0 H ILE A 42 -4.292 6.895 7.876 1.00 4.32 H new ATOM 0 HA ILE A 42 -5.659 7.493 10.327 1.00 4.34 H new ATOM 0 HB ILE A 42 -3.938 9.031 8.390 1.00 52.41 H new ATOM 0 HG12 ILE A 42 -3.720 7.911 11.208 1.00 51.40 H new ATOM 0 HG13 ILE A 42 -2.752 7.493 9.809 1.00 51.40 H new ATOM 0 HG21 ILE A 42 -4.045 10.975 9.857 1.00 1.44 H new ATOM 0 HG22 ILE A 42 -5.619 10.628 9.103 1.00 1.44 H new ATOM 0 HG23 ILE A 42 -5.336 10.201 10.807 1.00 1.44 H new ATOM 0 HD11 ILE A 42 -1.496 8.915 11.350 1.00 52.34 H new ATOM 0 HD12 ILE A 42 -1.762 9.752 9.802 1.00 52.34 H new ATOM 0 HD13 ILE A 42 -2.745 10.176 11.224 1.00 52.34 H new ATOM 615 N PRO A 43 -7.649 8.961 9.607 1.00 23.51 N ATOM 616 CA PRO A 43 -8.771 9.797 9.204 1.00 42.24 C ATOM 617 C PRO A 43 -8.231 11.076 8.569 1.00 23.15 C ATOM 618 O PRO A 43 -7.695 11.921 9.282 1.00 55.33 O ATOM 619 CB PRO A 43 -9.556 10.071 10.506 1.00 53.41 C ATOM 620 CG PRO A 43 -8.553 9.786 11.646 1.00 54.34 C ATOM 621 CD PRO A 43 -7.620 8.722 11.060 1.00 12.23 C ATOM 0 HA PRO A 43 -9.420 9.332 8.462 1.00 42.24 H new ATOM 0 HB2 PRO A 43 -9.913 11.100 10.542 1.00 53.41 H new ATOM 0 HB3 PRO A 43 -10.432 9.427 10.581 1.00 53.41 H new ATOM 0 HG2 PRO A 43 -8.005 10.685 11.930 1.00 54.34 H new ATOM 0 HG3 PRO A 43 -9.058 9.424 12.541 1.00 54.34 H new ATOM 0 HD2 PRO A 43 -6.610 8.819 11.457 1.00 12.23 H new ATOM 0 HD3 PRO A 43 -7.963 7.716 11.303 1.00 12.23 H new ATOM 629 N GLN A 44 -8.384 11.195 7.243 1.00 33.03 N ATOM 630 CA GLN A 44 -7.903 12.291 6.463 1.00 4.11 C ATOM 631 C GLN A 44 -6.402 12.188 6.280 1.00 1.20 C ATOM 632 O GLN A 44 -5.720 13.191 6.050 1.00 55.11 O ATOM 633 CB GLN A 44 -8.313 13.711 6.935 1.00 73.42 C ATOM 634 CG GLN A 44 -8.374 14.696 5.767 1.00 14.44 C ATOM 635 CD GLN A 44 -8.753 16.084 6.277 1.00 71.11 C ATOM 636 OE1 GLN A 44 -8.873 16.313 7.492 1.00 22.13 O ATOM 637 NE2 GLN A 44 -8.943 17.035 5.350 1.00 34.44 N ATOM 0 H GLN A 44 -8.868 10.492 6.684 1.00 33.03 H new ATOM 0 HA GLN A 44 -8.414 12.186 5.506 1.00 4.11 H new ATOM 0 HB2 GLN A 44 -9.286 13.666 7.425 1.00 73.42 H new ATOM 0 HB3 GLN A 44 -7.599 14.069 7.677 1.00 73.42 H new ATOM 0 HG2 GLN A 44 -7.409 14.736 5.263 1.00 14.44 H new ATOM 0 HG3 GLN A 44 -9.104 14.357 5.032 1.00 14.44 H new ATOM 0 HE21 GLN A 44 -8.836 16.811 4.361 1.00 34.44 H new ATOM 0 HE22 GLN A 44 -9.194 17.982 5.635 1.00 34.44 H new ATOM 646 N GLY A 45 -5.840 10.953 6.310 1.00 65.55 N ATOM 647 CA GLY A 45 -4.511 10.761 5.782 1.00 44.15 C ATOM 648 C GLY A 45 -4.648 10.715 4.275 1.00 64.10 C ATOM 649 O GLY A 45 -5.761 10.706 3.742 1.00 24.02 O ATOM 0 H GLY A 45 -6.286 10.116 6.685 1.00 65.55 H new ATOM 0 HA2 GLY A 45 -3.852 11.574 6.087 1.00 44.15 H new ATOM 0 HA3 GLY A 45 -4.073 9.837 6.160 1.00 44.15 H new ATOM 653 N ALA A 46 -3.495 10.674 3.569 1.00 22.23 N ATOM 654 CA ALA A 46 -3.437 10.824 2.107 1.00 44.31 C ATOM 655 C ALA A 46 -4.304 9.789 1.441 1.00 53.53 C ATOM 656 O ALA A 46 -5.011 10.087 0.479 1.00 0.21 O ATOM 657 CB ALA A 46 -1.995 10.670 1.532 1.00 62.02 C ATOM 0 H ALA A 46 -2.582 10.536 4.002 1.00 22.23 H new ATOM 0 HA ALA A 46 -3.789 11.835 1.899 1.00 44.31 H new ATOM 0 HB1 ALA A 46 -2.020 10.791 0.449 1.00 62.02 H new ATOM 0 HB2 ALA A 46 -1.347 11.430 1.967 1.00 62.02 H new ATOM 0 HB3 ALA A 46 -1.609 9.681 1.777 1.00 62.02 H new ATOM 663 N ALA A 47 -4.255 8.539 1.937 1.00 74.24 N ATOM 664 CA ALA A 47 -4.940 7.436 1.270 1.00 21.11 C ATOM 665 C ALA A 47 -6.431 7.639 1.358 1.00 64.25 C ATOM 666 O ALA A 47 -7.126 7.552 0.356 1.00 41.15 O ATOM 667 CB ALA A 47 -4.608 6.052 1.868 1.00 43.43 C ATOM 0 H ALA A 47 -3.753 8.278 2.786 1.00 74.24 H new ATOM 0 HA ALA A 47 -4.591 7.443 0.237 1.00 21.11 H new ATOM 0 HB1 ALA A 47 -5.152 5.280 1.323 1.00 43.43 H new ATOM 0 HB2 ALA A 47 -3.537 5.868 1.786 1.00 43.43 H new ATOM 0 HB3 ALA A 47 -4.900 6.030 2.918 1.00 43.43 H new ATOM 673 N GLU A 48 -6.949 7.922 2.582 1.00 54.45 N ATOM 674 CA GLU A 48 -8.399 8.024 2.792 1.00 3.13 C ATOM 675 C GLU A 48 -8.949 9.169 1.979 1.00 55.42 C ATOM 676 O GLU A 48 -10.013 9.047 1.374 1.00 1.22 O ATOM 677 CB GLU A 48 -8.812 8.261 4.266 1.00 22.41 C ATOM 678 CG GLU A 48 -10.339 8.178 4.473 1.00 41.25 C ATOM 679 CD GLU A 48 -10.645 8.486 5.903 1.00 20.30 C ATOM 680 OE1 GLU A 48 -10.381 9.612 6.332 1.00 21.24 O ATOM 681 OE2 GLU A 48 -11.160 7.603 6.608 1.00 43.12 O ATOM 0 H GLU A 48 -6.387 8.079 3.419 1.00 54.45 H new ATOM 0 HA GLU A 48 -8.806 7.061 2.484 1.00 3.13 H new ATOM 0 HB2 GLU A 48 -8.322 7.522 4.900 1.00 22.41 H new ATOM 0 HB3 GLU A 48 -8.458 9.241 4.586 1.00 22.41 H new ATOM 0 HG2 GLU A 48 -10.848 8.884 3.817 1.00 41.25 H new ATOM 0 HG3 GLU A 48 -10.702 7.183 4.214 1.00 41.25 H new ATOM 688 N SER A 49 -8.227 10.305 1.962 1.00 61.21 N ATOM 689 CA SER A 49 -8.681 11.504 1.275 1.00 25.50 C ATOM 690 C SER A 49 -8.867 11.206 -0.201 1.00 30.31 C ATOM 691 O SER A 49 -9.839 11.639 -0.826 1.00 72.21 O ATOM 692 CB SER A 49 -7.659 12.649 1.403 1.00 52.24 C ATOM 693 OG SER A 49 -7.477 12.988 2.778 1.00 24.21 O ATOM 0 H SER A 49 -7.323 10.406 2.423 1.00 61.21 H new ATOM 0 HA SER A 49 -9.621 11.809 1.735 1.00 25.50 H new ATOM 0 HB2 SER A 49 -6.707 12.349 0.965 1.00 52.24 H new ATOM 0 HB3 SER A 49 -8.005 13.521 0.848 1.00 52.24 H new ATOM 0 HG SER A 49 -6.924 12.306 3.213 1.00 24.21 H new ATOM 699 N ASP A 50 -7.916 10.458 -0.775 1.00 0.31 N ATOM 700 CA ASP A 50 -7.946 10.199 -2.216 1.00 70.34 C ATOM 701 C ASP A 50 -8.991 9.123 -2.474 1.00 33.30 C ATOM 702 O ASP A 50 -9.732 9.163 -3.457 1.00 41.33 O ATOM 703 CB ASP A 50 -6.583 9.759 -2.809 1.00 63.20 C ATOM 704 CG ASP A 50 -6.510 10.154 -4.291 1.00 24.22 C ATOM 705 OD1 ASP A 50 -7.517 10.625 -4.868 1.00 22.44 O ATOM 706 OD2 ASP A 50 -5.424 10.027 -4.882 1.00 54.44 O ATOM 0 H ASP A 50 -7.135 10.032 -0.276 1.00 0.31 H new ATOM 0 HA ASP A 50 -8.192 11.137 -2.714 1.00 70.34 H new ATOM 0 HB2 ASP A 50 -5.768 10.227 -2.258 1.00 63.20 H new ATOM 0 HB3 ASP A 50 -6.461 8.681 -2.704 1.00 63.20 H new ATOM 711 N GLY A 51 -9.107 8.161 -1.529 1.00 14.11 N ATOM 712 CA GLY A 51 -10.167 7.144 -1.574 1.00 53.22 C ATOM 713 C GLY A 51 -9.811 6.026 -2.511 1.00 73.14 C ATOM 714 O GLY A 51 -10.549 5.060 -2.630 1.00 2.31 O ATOM 0 H GLY A 51 -8.478 8.073 -0.731 1.00 14.11 H new ATOM 0 HA2 GLY A 51 -10.333 6.744 -0.574 1.00 53.22 H new ATOM 0 HA3 GLY A 51 -11.102 7.604 -1.892 1.00 53.22 H new ATOM 718 N ARG A 52 -8.681 6.140 -3.223 1.00 73.01 N ATOM 719 CA ARG A 52 -8.320 5.139 -4.210 1.00 33.45 C ATOM 720 C ARG A 52 -7.892 3.883 -3.504 1.00 3.42 C ATOM 721 O ARG A 52 -8.283 2.786 -3.887 1.00 14.04 O ATOM 722 CB ARG A 52 -7.161 5.593 -5.120 1.00 11.11 C ATOM 723 CG ARG A 52 -7.462 6.907 -5.842 1.00 62.41 C ATOM 724 CD ARG A 52 -6.305 7.400 -6.724 1.00 24.41 C ATOM 725 NE ARG A 52 -6.632 8.795 -7.162 1.00 0.21 N ATOM 726 CZ ARG A 52 -7.236 9.079 -8.373 1.00 44.42 C ATOM 727 NH1 ARG A 52 -7.595 8.070 -9.237 1.00 41.32 N ATOM 728 NH2 ARG A 52 -7.474 10.385 -8.706 1.00 33.40 N ATOM 0 H ARG A 52 -8.016 6.908 -3.129 1.00 73.01 H new ATOM 0 HA ARG A 52 -9.198 4.973 -4.834 1.00 33.45 H new ATOM 0 HB2 ARG A 52 -6.258 5.710 -4.521 1.00 11.11 H new ATOM 0 HB3 ARG A 52 -6.956 4.816 -5.857 1.00 11.11 H new ATOM 0 HG2 ARG A 52 -8.350 6.777 -6.460 1.00 62.41 H new ATOM 0 HG3 ARG A 52 -7.697 7.673 -5.103 1.00 62.41 H new ATOM 0 HD2 ARG A 52 -5.367 7.383 -6.170 1.00 24.41 H new ATOM 0 HD3 ARG A 52 -6.177 6.748 -7.588 1.00 24.41 H new ATOM 0 HE ARG A 52 -6.399 9.569 -6.540 1.00 0.21 H new ATOM 0 HH11 ARG A 52 -7.416 7.097 -8.987 1.00 41.32 H new ATOM 0 HH12 ARG A 52 -8.040 8.295 -10.127 1.00 41.32 H new ATOM 0 HH21 ARG A 52 -7.207 11.132 -8.065 1.00 33.40 H new ATOM 0 HH22 ARG A 52 -7.919 10.612 -9.596 1.00 33.40 H new ATOM 742 N ILE A 53 -7.073 4.029 -2.456 1.00 51.34 N ATOM 743 CA ILE A 53 -6.556 2.878 -1.762 1.00 54.33 C ATOM 744 C ILE A 53 -7.233 2.869 -0.424 1.00 72.13 C ATOM 745 O ILE A 53 -7.401 3.919 0.197 1.00 53.34 O ATOM 746 CB ILE A 53 -5.058 2.896 -1.607 1.00 1.31 C ATOM 747 CG1 ILE A 53 -4.430 3.005 -3.013 1.00 13.41 C ATOM 748 CG2 ILE A 53 -4.608 1.614 -0.857 1.00 34.40 C ATOM 749 CD1 ILE A 53 -2.928 2.905 -2.998 1.00 62.11 C ATOM 0 H ILE A 53 -6.766 4.928 -2.085 1.00 51.34 H new ATOM 0 HA ILE A 53 -6.762 1.975 -2.337 1.00 54.33 H new ATOM 0 HB ILE A 53 -4.726 3.750 -1.017 1.00 1.31 H new ATOM 0 HG12 ILE A 53 -4.834 2.216 -3.647 1.00 13.41 H new ATOM 0 HG13 ILE A 53 -4.721 3.955 -3.462 1.00 13.41 H new ATOM 0 HG21 ILE A 53 -3.524 1.621 -0.742 1.00 34.40 H new ATOM 0 HG22 ILE A 53 -5.077 1.584 0.126 1.00 34.40 H new ATOM 0 HG23 ILE A 53 -4.906 0.735 -1.428 1.00 34.40 H new ATOM 0 HD11 ILE A 53 -2.548 2.989 -4.016 1.00 62.11 H new ATOM 0 HD12 ILE A 53 -2.516 3.710 -2.389 1.00 62.11 H new ATOM 0 HD13 ILE A 53 -2.632 1.944 -2.578 1.00 62.11 H new ATOM 761 N HIS A 54 -7.679 1.678 0.019 1.00 14.12 N ATOM 762 CA HIS A 54 -8.384 1.553 1.271 1.00 30.33 C ATOM 763 C HIS A 54 -7.617 0.580 2.074 1.00 2.41 C ATOM 764 O HIS A 54 -6.705 -0.080 1.568 1.00 34.03 O ATOM 765 CB HIS A 54 -9.818 0.978 1.125 1.00 72.14 C ATOM 766 CG HIS A 54 -10.682 1.797 0.213 1.00 54.43 C ATOM 767 ND1 HIS A 54 -10.531 1.780 -1.147 1.00 3.01 N ATOM 768 CD2 HIS A 54 -11.644 2.686 0.498 1.00 75.43 C ATOM 769 CE1 HIS A 54 -11.388 2.646 -1.673 1.00 12.32 C ATOM 770 NE2 HIS A 54 -12.072 3.213 -0.688 1.00 53.42 N ATOM 0 H HIS A 54 -7.555 0.800 -0.485 1.00 14.12 H new ATOM 0 HA HIS A 54 -8.473 2.546 1.712 1.00 30.33 H new ATOM 0 HB2 HIS A 54 -9.759 -0.041 0.744 1.00 72.14 H new ATOM 0 HB3 HIS A 54 -10.285 0.924 2.109 1.00 72.14 H new ATOM 0 HD2 HIS A 54 -12.012 2.939 1.481 1.00 75.43 H new ATOM 0 HE1 HIS A 54 -11.508 2.854 -2.726 1.00 12.32 H new ATOM 0 HE2 HIS A 54 -12.796 3.923 -0.797 1.00 53.42 H new ATOM 779 N LYS A 55 -7.971 0.457 3.366 1.00 34.13 N ATOM 780 CA LYS A 55 -7.371 -0.539 4.224 1.00 61.33 C ATOM 781 C LYS A 55 -7.823 -1.888 3.730 1.00 61.21 C ATOM 782 O LYS A 55 -8.929 -2.014 3.207 1.00 74.44 O ATOM 783 CB LYS A 55 -7.682 -0.351 5.740 1.00 11.10 C ATOM 784 CG LYS A 55 -9.137 -0.636 6.184 1.00 3.15 C ATOM 785 CD LYS A 55 -9.381 -2.105 6.610 1.00 0.01 C ATOM 786 CE LYS A 55 -10.821 -2.403 7.071 1.00 75.30 C ATOM 787 NZ LYS A 55 -11.214 -1.548 8.211 1.00 61.22 N ATOM 0 H LYS A 55 -8.670 1.042 3.823 1.00 34.13 H new ATOM 0 HA LYS A 55 -6.287 -0.437 4.164 1.00 61.33 H new ATOM 0 HB2 LYS A 55 -7.018 -1.002 6.308 1.00 11.10 H new ATOM 0 HB3 LYS A 55 -7.436 0.675 6.015 1.00 11.10 H new ATOM 0 HG2 LYS A 55 -9.389 0.021 7.016 1.00 3.15 H new ATOM 0 HG3 LYS A 55 -9.813 -0.387 5.366 1.00 3.15 H new ATOM 0 HD2 LYS A 55 -9.138 -2.759 5.772 1.00 0.01 H new ATOM 0 HD3 LYS A 55 -8.694 -2.355 7.419 1.00 0.01 H new ATOM 0 HE2 LYS A 55 -11.510 -2.244 6.241 1.00 75.30 H new ATOM 0 HE3 LYS A 55 -10.903 -3.452 7.357 1.00 75.30 H new ATOM 0 HZ1 LYS A 55 -12.132 -1.865 8.582 1.00 61.22 H new ATOM 0 HZ2 LYS A 55 -10.496 -1.616 8.960 1.00 61.22 H new ATOM 0 HZ3 LYS A 55 -11.291 -0.560 7.894 1.00 61.22 H new ATOM 801 N GLY A 56 -6.977 -2.921 3.839 1.00 40.43 N ATOM 802 CA GLY A 56 -7.384 -4.250 3.412 1.00 23.01 C ATOM 803 C GLY A 56 -6.997 -4.464 1.979 1.00 32.24 C ATOM 804 O GLY A 56 -7.122 -5.582 1.466 1.00 50.21 O ATOM 0 H GLY A 56 -6.029 -2.858 4.211 1.00 40.43 H new ATOM 0 HA2 GLY A 56 -6.913 -5.005 4.042 1.00 23.01 H new ATOM 0 HA3 GLY A 56 -8.462 -4.365 3.528 1.00 23.01 H new ATOM 808 N ASP A 57 -6.519 -3.399 1.279 1.00 71.13 N ATOM 809 CA ASP A 57 -6.137 -3.544 -0.128 1.00 71.13 C ATOM 810 C ASP A 57 -4.716 -4.021 -0.126 1.00 53.41 C ATOM 811 O ASP A 57 -4.062 -3.950 0.909 1.00 52.34 O ATOM 812 CB ASP A 57 -6.226 -2.220 -0.939 1.00 14.54 C ATOM 813 CG ASP A 57 -6.476 -2.532 -2.417 1.00 61.23 C ATOM 814 OD1 ASP A 57 -6.374 -3.716 -2.820 1.00 30.51 O ATOM 815 OD2 ASP A 57 -6.826 -1.583 -3.168 1.00 24.13 O ATOM 0 H ASP A 57 -6.396 -2.462 1.664 1.00 71.13 H new ATOM 0 HA ASP A 57 -6.827 -4.236 -0.610 1.00 71.13 H new ATOM 0 HB2 ASP A 57 -7.031 -1.597 -0.548 1.00 14.54 H new ATOM 0 HB3 ASP A 57 -5.302 -1.653 -0.829 1.00 14.54 H new ATOM 820 N ARG A 58 -4.216 -4.559 -1.254 1.00 1.22 N ATOM 821 CA ARG A 58 -2.898 -5.173 -1.255 1.00 44.02 C ATOM 822 C ARG A 58 -1.989 -4.385 -2.150 1.00 13.02 C ATOM 823 O ARG A 58 -2.302 -4.106 -3.299 1.00 54.21 O ATOM 824 CB ARG A 58 -2.887 -6.644 -1.736 1.00 65.32 C ATOM 825 CG ARG A 58 -3.662 -6.883 -3.042 1.00 53.21 C ATOM 826 CD ARG A 58 -3.505 -8.300 -3.592 1.00 30.53 C ATOM 827 NE ARG A 58 -2.038 -8.517 -3.888 1.00 53.41 N ATOM 828 CZ ARG A 58 -1.611 -9.414 -4.839 1.00 42.42 C ATOM 829 NH1 ARG A 58 -2.492 -10.267 -5.439 1.00 2.32 N ATOM 830 NH2 ARG A 58 -0.290 -9.437 -5.178 1.00 2.31 N ATOM 0 H ARG A 58 -4.700 -4.576 -2.151 1.00 1.22 H new ATOM 0 HA ARG A 58 -2.563 -5.170 -0.218 1.00 44.02 H new ATOM 0 HB2 ARG A 58 -1.854 -6.962 -1.876 1.00 65.32 H new ATOM 0 HB3 ARG A 58 -3.311 -7.274 -0.954 1.00 65.32 H new ATOM 0 HG2 ARG A 58 -4.720 -6.684 -2.870 1.00 53.21 H new ATOM 0 HG3 ARG A 58 -3.322 -6.170 -3.793 1.00 53.21 H new ATOM 0 HD2 ARG A 58 -3.862 -9.033 -2.869 1.00 30.53 H new ATOM 0 HD3 ARG A 58 -4.101 -8.428 -4.496 1.00 30.53 H new ATOM 0 HE ARG A 58 -1.344 -7.982 -3.366 1.00 53.41 H new ATOM 0 HH11 ARG A 58 -3.479 -10.244 -5.183 1.00 2.32 H new ATOM 0 HH12 ARG A 58 -2.163 -10.928 -6.143 1.00 2.32 H new ATOM 0 HH21 ARG A 58 0.363 -8.796 -4.728 1.00 2.31 H new ATOM 0 HH22 ARG A 58 0.045 -10.096 -5.881 1.00 2.31 H new ATOM 844 N VAL A 59 -0.810 -4.036 -1.621 1.00 21.42 N ATOM 845 CA VAL A 59 0.199 -3.355 -2.370 1.00 62.12 C ATOM 846 C VAL A 59 1.242 -4.408 -2.666 1.00 12.32 C ATOM 847 O VAL A 59 1.419 -5.362 -1.893 1.00 15.14 O ATOM 848 CB VAL A 59 0.845 -2.208 -1.573 1.00 55.42 C ATOM 849 CG1 VAL A 59 1.797 -1.399 -2.489 1.00 5.44 C ATOM 850 CG2 VAL A 59 -0.285 -1.340 -0.974 1.00 73.34 C ATOM 0 H VAL A 59 -0.549 -4.229 -0.654 1.00 21.42 H new ATOM 0 HA VAL A 59 -0.228 -2.903 -3.265 1.00 62.12 H new ATOM 0 HB VAL A 59 1.453 -2.592 -0.754 1.00 55.42 H new ATOM 0 HG11 VAL A 59 2.250 -0.589 -1.918 1.00 5.44 H new ATOM 0 HG12 VAL A 59 2.579 -2.055 -2.871 1.00 5.44 H new ATOM 0 HG13 VAL A 59 1.233 -0.983 -3.323 1.00 5.44 H new ATOM 0 HG21 VAL A 59 0.150 -0.519 -0.404 1.00 73.34 H new ATOM 0 HG22 VAL A 59 -0.900 -0.937 -1.779 1.00 73.34 H new ATOM 0 HG23 VAL A 59 -0.903 -1.951 -0.316 1.00 73.34 H new ATOM 860 N LEU A 60 1.921 -4.279 -3.805 1.00 70.12 N ATOM 861 CA LEU A 60 3.002 -5.189 -4.123 1.00 50.14 C ATOM 862 C LEU A 60 4.235 -4.375 -4.332 1.00 63.53 C ATOM 863 O LEU A 60 5.308 -4.733 -3.838 1.00 25.12 O ATOM 864 CB LEU A 60 2.774 -6.087 -5.365 1.00 40.23 C ATOM 865 CG LEU A 60 1.918 -5.485 -6.481 1.00 24.22 C ATOM 866 CD1 LEU A 60 2.303 -6.041 -7.839 1.00 64.54 C ATOM 867 CD2 LEU A 60 0.423 -5.664 -6.217 1.00 4.40 C ATOM 0 H LEU A 60 1.740 -3.563 -4.508 1.00 70.12 H new ATOM 0 HA LEU A 60 3.080 -5.880 -3.284 1.00 50.14 H new ATOM 0 HB2 LEU A 60 3.746 -6.350 -5.782 1.00 40.23 H new ATOM 0 HB3 LEU A 60 2.307 -7.015 -5.036 1.00 40.23 H new ATOM 0 HG LEU A 60 2.119 -4.414 -6.490 1.00 24.22 H new ATOM 0 HD11 LEU A 60 1.675 -5.591 -8.608 1.00 64.54 H new ATOM 0 HD12 LEU A 60 3.348 -5.810 -8.044 1.00 64.54 H new ATOM 0 HD13 LEU A 60 2.163 -7.122 -7.843 1.00 64.54 H new ATOM 0 HD21 LEU A 60 -0.146 -5.222 -7.035 1.00 4.40 H new ATOM 0 HD22 LEU A 60 0.191 -6.727 -6.146 1.00 4.40 H new ATOM 0 HD23 LEU A 60 0.157 -5.171 -5.282 1.00 4.40 H new ATOM 879 N ALA A 61 4.124 -3.261 -5.071 1.00 73.25 N ATOM 880 CA ALA A 61 5.318 -2.489 -5.365 1.00 70.22 C ATOM 881 C ALA A 61 5.085 -1.057 -5.048 1.00 51.23 C ATOM 882 O ALA A 61 3.954 -0.606 -4.862 1.00 41.40 O ATOM 883 CB ALA A 61 5.796 -2.582 -6.827 1.00 53.43 C ATOM 0 H ALA A 61 3.254 -2.894 -5.457 1.00 73.25 H new ATOM 0 HA ALA A 61 6.100 -2.924 -4.742 1.00 70.22 H new ATOM 0 HB1 ALA A 61 6.692 -1.975 -6.956 1.00 53.43 H new ATOM 0 HB2 ALA A 61 6.023 -3.620 -7.070 1.00 53.43 H new ATOM 0 HB3 ALA A 61 5.012 -2.217 -7.490 1.00 53.43 H new ATOM 889 N VAL A 62 6.208 -0.332 -4.970 1.00 62.42 N ATOM 890 CA VAL A 62 6.226 1.062 -4.627 1.00 75.15 C ATOM 891 C VAL A 62 7.266 1.664 -5.517 1.00 25.04 C ATOM 892 O VAL A 62 8.441 1.432 -5.348 1.00 55.32 O ATOM 893 CB VAL A 62 6.584 1.352 -3.172 1.00 63.43 C ATOM 894 CG1 VAL A 62 6.575 2.884 -2.944 1.00 12.34 C ATOM 895 CG2 VAL A 62 5.572 0.607 -2.267 1.00 53.11 C ATOM 0 H VAL A 62 7.134 -0.720 -5.149 1.00 62.42 H new ATOM 0 HA VAL A 62 5.226 1.475 -4.757 1.00 75.15 H new ATOM 0 HB VAL A 62 7.584 0.996 -2.924 1.00 63.43 H new ATOM 0 HG11 VAL A 62 6.830 3.099 -1.906 1.00 12.34 H new ATOM 0 HG12 VAL A 62 7.306 3.354 -3.602 1.00 12.34 H new ATOM 0 HG13 VAL A 62 5.583 3.279 -3.163 1.00 12.34 H new ATOM 0 HG21 VAL A 62 5.809 0.800 -1.221 1.00 53.11 H new ATOM 0 HG22 VAL A 62 4.563 0.960 -2.482 1.00 53.11 H new ATOM 0 HG23 VAL A 62 5.631 -0.464 -2.461 1.00 53.11 H new ATOM 905 N ASN A 63 6.807 2.427 -6.509 1.00 31.11 N ATOM 906 CA ASN A 63 7.630 3.048 -7.557 1.00 72.23 C ATOM 907 C ASN A 63 8.631 2.057 -8.124 1.00 22.14 C ATOM 908 O ASN A 63 9.789 2.378 -8.344 1.00 71.24 O ATOM 909 CB ASN A 63 8.348 4.357 -7.129 1.00 64.04 C ATOM 910 CG ASN A 63 8.785 5.116 -8.393 1.00 13.04 C ATOM 911 OD1 ASN A 63 7.947 5.473 -9.223 1.00 32.40 O ATOM 912 ND2 ASN A 63 10.097 5.365 -8.549 1.00 53.12 N ATOM 0 H ASN A 63 5.815 2.640 -6.612 1.00 31.11 H new ATOM 0 HA ASN A 63 6.922 3.341 -8.332 1.00 72.23 H new ATOM 0 HB2 ASN A 63 7.680 4.975 -6.529 1.00 64.04 H new ATOM 0 HB3 ASN A 63 9.214 4.127 -6.508 1.00 64.04 H new ATOM 0 HD21 ASN A 63 10.427 5.864 -9.375 1.00 53.12 H new ATOM 0 HD22 ASN A 63 10.763 5.055 -7.841 1.00 53.12 H new ATOM 919 N GLY A 64 8.178 0.821 -8.379 1.00 22.42 N ATOM 920 CA GLY A 64 9.002 -0.145 -9.076 1.00 52.32 C ATOM 921 C GLY A 64 9.938 -0.801 -8.106 1.00 72.43 C ATOM 922 O GLY A 64 10.896 -1.471 -8.521 1.00 24.23 O ATOM 0 H GLY A 64 7.254 0.481 -8.112 1.00 22.42 H new ATOM 0 HA2 GLY A 64 8.373 -0.896 -9.555 1.00 52.32 H new ATOM 0 HA3 GLY A 64 9.568 0.348 -9.866 1.00 52.32 H new ATOM 926 N VAL A 65 9.692 -0.641 -6.784 1.00 11.40 N ATOM 927 CA VAL A 65 10.457 -1.345 -5.809 1.00 62.33 C ATOM 928 C VAL A 65 9.568 -2.453 -5.395 1.00 32.20 C ATOM 929 O VAL A 65 8.472 -2.221 -4.890 1.00 34.22 O ATOM 930 CB VAL A 65 10.806 -0.516 -4.572 1.00 75.54 C ATOM 931 CG1 VAL A 65 11.647 -1.382 -3.597 1.00 62.21 C ATOM 932 CG2 VAL A 65 11.548 0.753 -5.035 1.00 70.02 C ATOM 0 H VAL A 65 8.970 -0.030 -6.402 1.00 11.40 H new ATOM 0 HA VAL A 65 11.414 -1.647 -6.235 1.00 62.33 H new ATOM 0 HB VAL A 65 9.912 -0.205 -4.031 1.00 75.54 H new ATOM 0 HG11 VAL A 65 11.898 -0.795 -2.713 1.00 62.21 H new ATOM 0 HG12 VAL A 65 11.071 -2.258 -3.299 1.00 62.21 H new ATOM 0 HG13 VAL A 65 12.564 -1.702 -4.093 1.00 62.21 H new ATOM 0 HG21 VAL A 65 11.807 1.360 -4.167 1.00 70.02 H new ATOM 0 HG22 VAL A 65 12.458 0.470 -5.564 1.00 70.02 H new ATOM 0 HG23 VAL A 65 10.905 1.328 -5.701 1.00 70.02 H new ATOM 942 N SER A 66 10.002 -3.686 -5.638 1.00 2.44 N ATOM 943 CA SER A 66 9.271 -4.829 -5.201 1.00 11.14 C ATOM 944 C SER A 66 9.370 -4.883 -3.707 1.00 70.34 C ATOM 945 O SER A 66 10.434 -5.135 -3.149 1.00 23.25 O ATOM 946 CB SER A 66 9.832 -6.142 -5.772 1.00 23.53 C ATOM 947 OG SER A 66 9.870 -6.075 -7.201 1.00 22.13 O ATOM 0 H SER A 66 10.864 -3.900 -6.140 1.00 2.44 H new ATOM 0 HA SER A 66 8.242 -4.733 -5.549 1.00 11.14 H new ATOM 0 HB2 SER A 66 10.834 -6.320 -5.381 1.00 23.53 H new ATOM 0 HB3 SER A 66 9.212 -6.981 -5.455 1.00 23.53 H new ATOM 0 HG SER A 66 10.230 -6.914 -7.558 1.00 22.13 H new ATOM 953 N LEU A 67 8.246 -4.625 -3.042 1.00 13.41 N ATOM 954 CA LEU A 67 8.196 -4.681 -1.596 1.00 53.44 C ATOM 955 C LEU A 67 7.860 -6.079 -1.203 1.00 12.33 C ATOM 956 O LEU A 67 7.905 -6.411 -0.035 1.00 2.23 O ATOM 957 CB LEU A 67 7.128 -3.749 -0.983 1.00 10.20 C ATOM 958 CG LEU A 67 7.694 -2.391 -0.528 1.00 52.33 C ATOM 959 CD1 LEU A 67 8.672 -2.541 0.656 1.00 30.11 C ATOM 960 CD2 LEU A 67 8.294 -1.569 -1.673 1.00 13.12 C ATOM 0 H LEU A 67 7.363 -4.376 -3.487 1.00 13.41 H new ATOM 0 HA LEU A 67 9.167 -4.355 -1.224 1.00 53.44 H new ATOM 0 HB2 LEU A 67 6.340 -3.579 -1.717 1.00 10.20 H new ATOM 0 HB3 LEU A 67 6.667 -4.247 -0.130 1.00 10.20 H new ATOM 0 HG LEU A 67 6.840 -1.816 -0.170 1.00 52.33 H new ATOM 0 HD11 LEU A 67 9.047 -1.559 0.945 1.00 30.11 H new ATOM 0 HD12 LEU A 67 8.154 -2.994 1.501 1.00 30.11 H new ATOM 0 HD13 LEU A 67 9.507 -3.176 0.360 1.00 30.11 H new ATOM 0 HD21 LEU A 67 8.674 -0.625 -1.283 1.00 13.12 H new ATOM 0 HD22 LEU A 67 9.110 -2.127 -2.132 1.00 13.12 H new ATOM 0 HD23 LEU A 67 7.525 -1.370 -2.420 1.00 13.12 H new ATOM 972 N GLU A 68 7.543 -6.954 -2.179 1.00 3.42 N ATOM 973 CA GLU A 68 7.290 -8.334 -1.857 1.00 50.43 C ATOM 974 C GLU A 68 8.589 -8.932 -1.356 1.00 11.44 C ATOM 975 O GLU A 68 9.688 -8.564 -1.821 1.00 34.40 O ATOM 976 CB GLU A 68 6.766 -9.184 -3.036 1.00 1.33 C ATOM 977 CG GLU A 68 5.433 -8.667 -3.613 1.00 34.43 C ATOM 978 CD GLU A 68 4.915 -9.700 -4.588 1.00 41.24 C ATOM 979 OE1 GLU A 68 5.595 -9.960 -5.600 1.00 1.33 O ATOM 980 OE2 GLU A 68 3.846 -10.283 -4.324 1.00 54.10 O ATOM 0 H GLU A 68 7.462 -6.718 -3.168 1.00 3.42 H new ATOM 0 HA GLU A 68 6.498 -8.350 -1.108 1.00 50.43 H new ATOM 0 HB2 GLU A 68 7.516 -9.198 -3.827 1.00 1.33 H new ATOM 0 HB3 GLU A 68 6.635 -10.214 -2.703 1.00 1.33 H new ATOM 0 HG2 GLU A 68 4.711 -8.501 -2.814 1.00 34.43 H new ATOM 0 HG3 GLU A 68 5.580 -7.710 -4.114 1.00 34.43 H new ATOM 987 N GLY A 69 8.487 -9.829 -0.371 1.00 34.44 N ATOM 988 CA GLY A 69 9.668 -10.406 0.255 1.00 0.12 C ATOM 989 C GLY A 69 10.121 -9.538 1.414 1.00 0.43 C ATOM 990 O GLY A 69 10.570 -10.066 2.438 1.00 25.44 O ATOM 0 H GLY A 69 7.601 -10.167 0.005 1.00 34.44 H new ATOM 0 HA2 GLY A 69 9.446 -11.413 0.610 1.00 0.12 H new ATOM 0 HA3 GLY A 69 10.470 -10.496 -0.477 1.00 0.12 H new ATOM 994 N ALA A 70 10.046 -8.180 1.252 1.00 13.11 N ATOM 995 CA ALA A 70 10.578 -7.243 2.250 1.00 45.00 C ATOM 996 C ALA A 70 9.718 -7.299 3.478 1.00 30.00 C ATOM 997 O ALA A 70 8.621 -7.832 3.453 1.00 50.32 O ATOM 998 CB ALA A 70 10.639 -5.778 1.768 1.00 20.14 C ATOM 0 H ALA A 70 9.623 -7.730 0.441 1.00 13.11 H new ATOM 0 HA ALA A 70 11.603 -7.556 2.448 1.00 45.00 H new ATOM 0 HB1 ALA A 70 11.043 -5.150 2.562 1.00 20.14 H new ATOM 0 HB2 ALA A 70 11.281 -5.710 0.890 1.00 20.14 H new ATOM 0 HB3 ALA A 70 9.636 -5.437 1.511 1.00 20.14 H new ATOM 1004 N THR A 71 10.231 -6.768 4.606 1.00 20.14 N ATOM 1005 CA THR A 71 9.522 -6.889 5.851 1.00 23.32 C ATOM 1006 C THR A 71 8.490 -5.768 5.957 1.00 14.34 C ATOM 1007 O THR A 71 8.473 -4.819 5.161 1.00 71.45 O ATOM 1008 CB THR A 71 10.435 -6.913 7.079 1.00 1.11 C ATOM 1009 OG1 THR A 71 11.276 -5.749 7.149 1.00 43.24 O ATOM 1010 CG2 THR A 71 11.321 -8.171 6.974 1.00 25.22 C ATOM 0 H THR A 71 11.117 -6.265 4.660 1.00 20.14 H new ATOM 0 HA THR A 71 9.022 -7.858 5.844 1.00 23.32 H new ATOM 0 HB THR A 71 9.819 -6.924 7.978 1.00 1.11 H new ATOM 0 HG1 THR A 71 11.842 -5.802 7.947 1.00 43.24 H new ATOM 0 HG21 THR A 71 11.987 -8.220 7.836 1.00 25.22 H new ATOM 0 HG22 THR A 71 10.690 -9.060 6.952 1.00 25.22 H new ATOM 0 HG23 THR A 71 11.913 -8.124 6.060 1.00 25.22 H new ATOM 1018 N HIS A 72 7.588 -5.899 6.966 1.00 14.32 N ATOM 1019 CA HIS A 72 6.485 -4.969 7.161 1.00 53.03 C ATOM 1020 C HIS A 72 7.036 -3.596 7.438 1.00 3.40 C ATOM 1021 O HIS A 72 6.531 -2.611 6.923 1.00 14.53 O ATOM 1022 CB HIS A 72 5.503 -5.375 8.297 1.00 22.01 C ATOM 1023 CG HIS A 72 6.131 -5.550 9.658 1.00 22.42 C ATOM 1024 ND1 HIS A 72 6.098 -4.578 10.624 1.00 71.10 N ATOM 1025 CD2 HIS A 72 6.772 -6.610 10.186 1.00 11.00 C ATOM 1026 CE1 HIS A 72 6.710 -5.047 11.707 1.00 20.14 C ATOM 1027 NE2 HIS A 72 7.128 -6.278 11.452 1.00 22.13 N ATOM 0 H HIS A 72 7.620 -6.652 7.653 1.00 14.32 H new ATOM 0 HA HIS A 72 5.903 -4.984 6.239 1.00 53.03 H new ATOM 0 HB2 HIS A 72 4.723 -4.617 8.369 1.00 22.01 H new ATOM 0 HB3 HIS A 72 5.015 -6.309 8.017 1.00 22.01 H new ATOM 0 HD2 HIS A 72 6.967 -7.551 9.693 1.00 11.00 H new ATOM 0 HE1 HIS A 72 6.844 -4.515 12.637 1.00 20.14 H new ATOM 0 HE2 HIS A 72 7.635 -6.879 12.102 1.00 22.13 H new ATOM 1036 N LYS A 73 8.121 -3.505 8.247 1.00 4.02 N ATOM 1037 CA LYS A 73 8.727 -2.214 8.530 1.00 33.04 C ATOM 1038 C LYS A 73 9.217 -1.568 7.256 1.00 60.12 C ATOM 1039 O LYS A 73 9.032 -0.380 7.088 1.00 14.42 O ATOM 1040 CB LYS A 73 9.883 -2.243 9.544 1.00 53.24 C ATOM 1041 CG LYS A 73 9.403 -2.494 10.978 1.00 73.24 C ATOM 1042 CD LYS A 73 10.490 -2.254 12.023 1.00 15.23 C ATOM 1043 CE LYS A 73 9.970 -2.316 13.470 1.00 70.31 C ATOM 1044 NZ LYS A 73 11.076 -2.129 14.424 1.00 1.30 N ATOM 0 H LYS A 73 8.574 -4.300 8.698 1.00 4.02 H new ATOM 0 HA LYS A 73 7.927 -1.633 8.990 1.00 33.04 H new ATOM 0 HB2 LYS A 73 10.591 -3.022 9.260 1.00 53.24 H new ATOM 0 HB3 LYS A 73 10.419 -1.295 9.505 1.00 53.24 H new ATOM 0 HG2 LYS A 73 8.554 -1.844 11.190 1.00 73.24 H new ATOM 0 HG3 LYS A 73 9.047 -3.521 11.061 1.00 73.24 H new ATOM 0 HD2 LYS A 73 11.277 -2.997 11.895 1.00 15.23 H new ATOM 0 HD3 LYS A 73 10.942 -1.278 11.849 1.00 15.23 H new ATOM 0 HE2 LYS A 73 9.215 -1.546 13.624 1.00 70.31 H new ATOM 0 HE3 LYS A 73 9.487 -3.277 13.648 1.00 70.31 H new ATOM 0 HZ1 LYS A 73 10.708 -2.174 15.396 1.00 1.30 H new ATOM 0 HZ2 LYS A 73 11.783 -2.879 14.287 1.00 1.30 H new ATOM 0 HZ3 LYS A 73 11.519 -1.202 14.264 1.00 1.30 H new ATOM 1058 N GLN A 74 9.832 -2.336 6.304 1.00 44.33 N ATOM 1059 CA GLN A 74 10.308 -1.733 5.056 1.00 52.10 C ATOM 1060 C GLN A 74 9.141 -1.189 4.290 1.00 32.01 C ATOM 1061 O GLN A 74 9.234 -0.130 3.703 1.00 71.25 O ATOM 1062 CB GLN A 74 11.025 -2.743 4.124 1.00 70.41 C ATOM 1063 CG GLN A 74 12.336 -3.278 4.689 1.00 42.01 C ATOM 1064 CD GLN A 74 13.339 -2.139 4.785 1.00 52.13 C ATOM 1065 OE1 GLN A 74 13.251 -1.138 4.046 1.00 33.24 O ATOM 1066 NE2 GLN A 74 14.319 -2.273 5.690 1.00 33.40 N ATOM 0 H GLN A 74 9.997 -3.339 6.388 1.00 44.33 H new ATOM 0 HA GLN A 74 11.018 -0.958 5.345 1.00 52.10 H new ATOM 0 HB2 GLN A 74 10.356 -3.581 3.928 1.00 70.41 H new ATOM 0 HB3 GLN A 74 11.222 -2.262 3.166 1.00 70.41 H new ATOM 0 HG2 GLN A 74 12.170 -3.717 5.673 1.00 42.01 H new ATOM 0 HG3 GLN A 74 12.726 -4.069 4.049 1.00 42.01 H new ATOM 0 HE21 GLN A 74 14.360 -3.106 6.278 1.00 33.40 H new ATOM 0 HE22 GLN A 74 15.024 -1.542 5.791 1.00 33.40 H new ATOM 1075 N ALA A 75 8.013 -1.917 4.296 1.00 4.24 N ATOM 1076 CA ALA A 75 6.813 -1.499 3.567 1.00 73.14 C ATOM 1077 C ALA A 75 6.383 -0.123 4.048 1.00 24.23 C ATOM 1078 O ALA A 75 6.031 0.741 3.250 1.00 10.33 O ATOM 1079 CB ALA A 75 5.642 -2.470 3.753 1.00 70.30 C ATOM 0 H ALA A 75 7.911 -2.798 4.799 1.00 4.24 H new ATOM 0 HA ALA A 75 7.071 -1.484 2.508 1.00 73.14 H new ATOM 0 HB1 ALA A 75 4.779 -2.112 3.191 1.00 70.30 H new ATOM 0 HB2 ALA A 75 5.927 -3.457 3.390 1.00 70.30 H new ATOM 0 HB3 ALA A 75 5.386 -2.533 4.811 1.00 70.30 H new ATOM 1085 N VAL A 76 6.458 0.110 5.374 1.00 24.03 N ATOM 1086 CA VAL A 76 6.102 1.401 5.936 1.00 12.20 C ATOM 1087 C VAL A 76 7.184 2.382 5.539 1.00 43.00 C ATOM 1088 O VAL A 76 6.897 3.445 4.990 1.00 13.03 O ATOM 1089 CB VAL A 76 6.040 1.374 7.468 1.00 32.11 C ATOM 1090 CG1 VAL A 76 5.755 2.801 8.001 1.00 52.03 C ATOM 1091 CG2 VAL A 76 4.979 0.342 7.904 1.00 74.11 C ATOM 0 H VAL A 76 6.761 -0.582 6.060 1.00 24.03 H new ATOM 0 HA VAL A 76 5.117 1.678 5.561 1.00 12.20 H new ATOM 0 HB VAL A 76 6.994 1.065 7.896 1.00 32.11 H new ATOM 0 HG11 VAL A 76 5.711 2.781 9.090 1.00 52.03 H new ATOM 0 HG12 VAL A 76 6.551 3.474 7.682 1.00 52.03 H new ATOM 0 HG13 VAL A 76 4.802 3.153 7.606 1.00 52.03 H new ATOM 0 HG21 VAL A 76 4.925 0.313 8.992 1.00 74.11 H new ATOM 0 HG22 VAL A 76 4.007 0.626 7.500 1.00 74.11 H new ATOM 0 HG23 VAL A 76 5.254 -0.643 7.528 1.00 74.11 H new ATOM 1101 N CYS A 77 8.461 2.015 5.872 1.00 4.30 N ATOM 1102 CA CYS A 77 9.641 2.945 5.734 1.00 42.42 C ATOM 1103 C CYS A 77 9.671 3.489 4.287 1.00 23.14 C ATOM 1104 O CYS A 77 10.298 4.470 3.976 1.00 53.54 O ATOM 1105 CB CYS A 77 10.966 2.188 6.022 1.00 60.31 C ATOM 1106 SG CYS A 77 12.409 3.278 6.275 1.00 73.01 S ATOM 0 H CYS A 77 8.703 1.093 6.235 1.00 4.30 H new ATOM 0 HA CYS A 77 9.543 3.761 6.449 1.00 42.42 H new ATOM 0 HB2 CYS A 77 10.832 1.569 6.909 1.00 60.31 H new ATOM 0 HB3 CYS A 77 11.175 1.514 5.191 1.00 60.31 H new ATOM 0 HG CYS A 77 13.463 2.555 6.510 1.00 73.01 H new ATOM 1111 N THR A 78 9.151 2.677 3.350 1.00 61.24 N ATOM 1112 CA THR A 78 9.231 3.018 1.953 1.00 32.53 C ATOM 1113 C THR A 78 8.301 4.183 1.716 1.00 31.13 C ATOM 1114 O THR A 78 8.738 5.233 1.278 1.00 34.01 O ATOM 1115 CB THR A 78 8.873 1.875 1.023 1.00 24.43 C ATOM 1116 OG1 THR A 78 9.720 0.767 1.298 1.00 24.45 O ATOM 1117 CG2 THR A 78 9.118 2.329 -0.432 1.00 65.13 C ATOM 0 H THR A 78 8.680 1.794 3.549 1.00 61.24 H new ATOM 0 HA THR A 78 10.267 3.268 1.725 1.00 32.53 H new ATOM 0 HB THR A 78 7.830 1.592 1.166 1.00 24.43 H new ATOM 0 HG1 THR A 78 9.368 0.268 2.065 1.00 24.45 H new ATOM 0 HG21 THR A 78 8.865 1.517 -1.114 1.00 65.13 H new ATOM 0 HG22 THR A 78 8.495 3.196 -0.653 1.00 65.13 H new ATOM 0 HG23 THR A 78 10.167 2.595 -0.558 1.00 65.13 H new ATOM 1125 N LEU A 79 6.992 4.026 2.066 1.00 14.35 N ATOM 1126 CA LEU A 79 5.987 5.079 1.848 1.00 51.00 C ATOM 1127 C LEU A 79 6.454 6.320 2.560 1.00 13.35 C ATOM 1128 O LEU A 79 6.613 7.370 1.965 1.00 21.12 O ATOM 1129 CB LEU A 79 4.588 4.702 2.406 1.00 52.45 C ATOM 1130 CG LEU A 79 4.049 3.356 1.864 1.00 41.04 C ATOM 1131 CD1 LEU A 79 2.694 2.972 2.491 1.00 50.13 C ATOM 1132 CD2 LEU A 79 4.031 3.286 0.323 1.00 31.45 C ATOM 0 H LEU A 79 6.621 3.180 2.498 1.00 14.35 H new ATOM 0 HA LEU A 79 5.886 5.226 0.773 1.00 51.00 H new ATOM 0 HB2 LEU A 79 4.641 4.652 3.494 1.00 52.45 H new ATOM 0 HB3 LEU A 79 3.881 5.494 2.158 1.00 52.45 H new ATOM 0 HG LEU A 79 4.764 2.598 2.183 1.00 41.04 H new ATOM 0 HD11 LEU A 79 2.359 2.021 2.078 1.00 50.13 H new ATOM 0 HD12 LEU A 79 2.806 2.879 3.571 1.00 50.13 H new ATOM 0 HD13 LEU A 79 1.958 3.744 2.267 1.00 50.13 H new ATOM 0 HD21 LEU A 79 3.643 2.318 0.007 1.00 31.45 H new ATOM 0 HD22 LEU A 79 3.394 4.078 -0.070 1.00 31.45 H new ATOM 0 HD23 LEU A 79 5.044 3.413 -0.059 1.00 31.45 H new ATOM 1144 N ARG A 80 6.721 6.163 3.846 1.00 41.42 N ATOM 1145 CA ARG A 80 7.250 7.208 4.714 1.00 53.33 C ATOM 1146 C ARG A 80 8.404 7.992 4.038 1.00 53.13 C ATOM 1147 O ARG A 80 8.409 9.221 4.095 1.00 41.42 O ATOM 1148 CB ARG A 80 7.771 6.546 6.024 1.00 31.11 C ATOM 1149 CG ARG A 80 8.181 7.484 7.156 1.00 25.14 C ATOM 1150 CD ARG A 80 8.482 6.698 8.457 1.00 23.13 C ATOM 1151 NE ARG A 80 9.031 7.634 9.491 1.00 73.22 N ATOM 1152 CZ ARG A 80 8.229 8.356 10.344 1.00 33.34 C ATOM 1153 NH1 ARG A 80 6.857 8.268 10.271 1.00 22.43 N ATOM 1154 NH2 ARG A 80 8.815 9.158 11.276 1.00 44.11 N ATOM 0 H ARG A 80 6.572 5.279 4.332 1.00 41.42 H new ATOM 0 HA ARG A 80 6.451 7.918 4.926 1.00 53.33 H new ATOM 0 HB2 ARG A 80 6.994 5.880 6.400 1.00 31.11 H new ATOM 0 HB3 ARG A 80 8.629 5.924 5.771 1.00 31.11 H new ATOM 0 HG2 ARG A 80 9.063 8.052 6.859 1.00 25.14 H new ATOM 0 HG3 ARG A 80 7.385 8.205 7.340 1.00 25.14 H new ATOM 0 HD2 ARG A 80 7.573 6.224 8.827 1.00 23.13 H new ATOM 0 HD3 ARG A 80 9.198 5.901 8.256 1.00 23.13 H new ATOM 0 HE ARG A 80 10.043 7.740 9.565 1.00 73.22 H new ATOM 0 HH11 ARG A 80 6.421 7.661 9.577 1.00 22.43 H new ATOM 0 HH12 ARG A 80 6.276 8.810 10.911 1.00 22.43 H new ATOM 0 HH21 ARG A 80 9.832 9.215 11.333 1.00 44.11 H new ATOM 0 HH22 ARG A 80 8.237 9.701 11.917 1.00 44.11 H new ATOM 1168 N ASN A 81 9.368 7.319 3.361 1.00 54.04 N ATOM 1169 CA ASN A 81 10.525 8.058 2.786 1.00 11.13 C ATOM 1170 C ASN A 81 10.316 8.342 1.308 1.00 4.13 C ATOM 1171 O ASN A 81 11.233 8.816 0.650 1.00 34.15 O ATOM 1172 CB ASN A 81 11.881 7.310 2.916 1.00 75.20 C ATOM 1173 CG ASN A 81 12.333 7.406 4.360 1.00 52.53 C ATOM 1174 OD1 ASN A 81 12.995 8.371 4.750 1.00 4.32 O ATOM 1175 ND2 ASN A 81 11.976 6.420 5.176 1.00 2.10 N ATOM 0 H ASN A 81 9.374 6.311 3.203 1.00 54.04 H new ATOM 0 HA ASN A 81 10.574 8.977 3.370 1.00 11.13 H new ATOM 0 HB2 ASN A 81 11.771 6.267 2.620 1.00 75.20 H new ATOM 0 HB3 ASN A 81 12.625 7.752 2.254 1.00 75.20 H new ATOM 0 HD21 ASN A 81 12.250 6.447 6.158 1.00 2.10 H new ATOM 0 HD22 ASN A 81 11.428 5.637 4.820 1.00 2.10 H new ATOM 1182 N THR A 82 9.118 8.094 0.745 1.00 53.02 N ATOM 1183 CA THR A 82 8.921 8.408 -0.683 1.00 63.03 C ATOM 1184 C THR A 82 8.641 9.906 -0.801 1.00 40.13 C ATOM 1185 O THR A 82 8.539 10.620 0.200 1.00 55.01 O ATOM 1186 CB THR A 82 7.817 7.618 -1.395 1.00 71.33 C ATOM 1187 OG1 THR A 82 6.640 7.538 -0.596 1.00 72.14 O ATOM 1188 CG2 THR A 82 8.318 6.207 -1.765 1.00 11.41 C ATOM 0 H THR A 82 8.310 7.698 1.226 1.00 53.02 H new ATOM 0 HA THR A 82 9.838 8.108 -1.191 1.00 63.03 H new ATOM 0 HB THR A 82 7.561 8.150 -2.312 1.00 71.33 H new ATOM 0 HG1 THR A 82 6.854 7.109 0.259 1.00 72.14 H new ATOM 0 HG21 THR A 82 7.522 5.659 -2.270 1.00 11.41 H new ATOM 0 HG22 THR A 82 9.179 6.289 -2.428 1.00 11.41 H new ATOM 0 HG23 THR A 82 8.607 5.674 -0.859 1.00 11.41 H new ATOM 1196 N GLY A 83 8.550 10.392 -2.054 1.00 53.34 N ATOM 1197 CA GLY A 83 8.414 11.806 -2.331 1.00 63.11 C ATOM 1198 C GLY A 83 6.966 12.180 -2.332 1.00 12.33 C ATOM 1199 O GLY A 83 6.158 11.618 -1.591 1.00 63.43 O ATOM 0 H GLY A 83 8.570 9.806 -2.888 1.00 53.34 H new ATOM 0 HA2 GLY A 83 8.950 12.387 -1.580 1.00 63.11 H new ATOM 0 HA3 GLY A 83 8.862 12.043 -3.296 1.00 63.11 H new ATOM 1203 N GLN A 84 6.619 13.186 -3.165 1.00 25.20 N ATOM 1204 CA GLN A 84 5.320 13.813 -3.127 1.00 20.11 C ATOM 1205 C GLN A 84 4.366 12.947 -3.865 1.00 74.14 C ATOM 1206 O GLN A 84 3.283 12.666 -3.379 1.00 52.50 O ATOM 1207 CB GLN A 84 5.315 15.205 -3.812 1.00 13.31 C ATOM 1208 CG GLN A 84 3.944 15.923 -3.766 1.00 52.43 C ATOM 1209 CD GLN A 84 4.029 17.275 -4.493 1.00 2.43 C ATOM 1210 OE1 GLN A 84 3.040 17.995 -4.578 1.00 73.45 O ATOM 1211 NE2 GLN A 84 5.206 17.633 -5.033 1.00 32.33 N ATOM 0 H GLN A 84 7.244 13.571 -3.873 1.00 25.20 H new ATOM 0 HA GLN A 84 5.044 13.944 -2.081 1.00 20.11 H new ATOM 0 HB2 GLN A 84 6.062 15.838 -3.332 1.00 13.31 H new ATOM 0 HB3 GLN A 84 5.618 15.088 -4.853 1.00 13.31 H new ATOM 0 HG2 GLN A 84 3.182 15.298 -4.232 1.00 52.43 H new ATOM 0 HG3 GLN A 84 3.640 16.077 -2.731 1.00 52.43 H new ATOM 0 HE21 GLN A 84 6.014 17.017 -4.949 1.00 32.33 H new ATOM 0 HE22 GLN A 84 5.291 18.521 -5.527 1.00 32.33 H new ATOM 1220 N VAL A 85 4.757 12.506 -5.070 1.00 54.41 N ATOM 1221 CA VAL A 85 3.886 11.696 -5.872 1.00 52.02 C ATOM 1222 C VAL A 85 4.600 10.403 -5.974 1.00 11.23 C ATOM 1223 O VAL A 85 5.825 10.383 -6.186 1.00 12.34 O ATOM 1224 CB VAL A 85 3.624 12.247 -7.274 1.00 51.14 C ATOM 1225 CG1 VAL A 85 2.602 11.331 -8.008 1.00 2.40 C ATOM 1226 CG2 VAL A 85 3.127 13.705 -7.134 1.00 13.33 C ATOM 0 H VAL A 85 5.665 12.705 -5.490 1.00 54.41 H new ATOM 0 HA VAL A 85 2.899 11.640 -5.413 1.00 52.02 H new ATOM 0 HB VAL A 85 4.532 12.254 -7.877 1.00 51.14 H new ATOM 0 HG11 VAL A 85 2.415 11.723 -9.008 1.00 2.40 H new ATOM 0 HG12 VAL A 85 3.007 10.322 -8.084 1.00 2.40 H new ATOM 0 HG13 VAL A 85 1.668 11.306 -7.447 1.00 2.40 H new ATOM 0 HG21 VAL A 85 2.933 14.120 -8.123 1.00 13.33 H new ATOM 0 HG22 VAL A 85 2.209 13.722 -6.547 1.00 13.33 H new ATOM 0 HG23 VAL A 85 3.889 14.302 -6.633 1.00 13.33 H new ATOM 1236 N VAL A 86 3.889 9.296 -5.744 1.00 25.42 N ATOM 1237 CA VAL A 86 4.505 8.016 -5.725 1.00 45.03 C ATOM 1238 C VAL A 86 3.624 7.166 -6.574 1.00 64.43 C ATOM 1239 O VAL A 86 2.430 7.408 -6.642 1.00 55.33 O ATOM 1240 CB VAL A 86 4.536 7.415 -4.317 1.00 53.21 C ATOM 1241 CG1 VAL A 86 5.462 6.173 -4.295 1.00 2.03 C ATOM 1242 CG2 VAL A 86 4.987 8.517 -3.336 1.00 5.11 C ATOM 0 H VAL A 86 2.884 9.286 -5.570 1.00 25.42 H new ATOM 0 HA VAL A 86 5.537 8.080 -6.070 1.00 45.03 H new ATOM 0 HB VAL A 86 3.549 7.069 -4.011 1.00 53.21 H new ATOM 0 HG11 VAL A 86 5.480 5.750 -3.291 1.00 2.03 H new ATOM 0 HG12 VAL A 86 5.087 5.427 -4.996 1.00 2.03 H new ATOM 0 HG13 VAL A 86 6.471 6.467 -4.583 1.00 2.03 H new ATOM 0 HG21 VAL A 86 5.017 8.113 -2.324 1.00 5.11 H new ATOM 0 HG22 VAL A 86 5.980 8.869 -3.616 1.00 5.11 H new ATOM 0 HG23 VAL A 86 4.283 9.348 -3.374 1.00 5.11 H new ATOM 1252 N HIS A 87 4.198 6.148 -7.217 1.00 34.13 N ATOM 1253 CA HIS A 87 3.412 5.195 -7.953 1.00 44.12 C ATOM 1254 C HIS A 87 3.363 3.989 -7.087 1.00 73.32 C ATOM 1255 O HIS A 87 4.380 3.485 -6.673 1.00 24.24 O ATOM 1256 CB HIS A 87 4.011 4.787 -9.318 1.00 1.22 C ATOM 1257 CG HIS A 87 3.932 5.893 -10.337 1.00 62.41 C ATOM 1258 ND1 HIS A 87 2.744 6.302 -10.884 1.00 35.40 N ATOM 1259 CD2 HIS A 87 4.898 6.680 -10.849 1.00 43.00 C ATOM 1260 CE1 HIS A 87 2.989 7.317 -11.704 1.00 25.00 C ATOM 1261 NE2 HIS A 87 4.287 7.562 -11.701 1.00 41.15 N ATOM 0 H HIS A 87 5.203 5.975 -7.235 1.00 34.13 H new ATOM 0 HA HIS A 87 2.443 5.639 -8.180 1.00 44.12 H new ATOM 0 HB2 HIS A 87 5.053 4.497 -9.182 1.00 1.22 H new ATOM 0 HB3 HIS A 87 3.483 3.911 -9.696 1.00 1.22 H new ATOM 0 HD2 HIS A 87 5.954 6.626 -10.629 1.00 43.00 H new ATOM 0 HE1 HIS A 87 2.249 7.854 -12.279 1.00 25.00 H new ATOM 0 HE2 HIS A 87 4.756 8.287 -12.243 1.00 41.15 H new ATOM 1270 N LEU A 88 2.172 3.535 -6.771 1.00 12.51 N ATOM 1271 CA LEU A 88 1.998 2.373 -5.951 1.00 23.33 C ATOM 1272 C LEU A 88 1.426 1.367 -6.866 1.00 50.41 C ATOM 1273 O LEU A 88 0.602 1.702 -7.707 1.00 74.42 O ATOM 1274 CB LEU A 88 1.009 2.588 -4.773 1.00 22.11 C ATOM 1275 CG LEU A 88 1.453 3.712 -3.798 1.00 75.42 C ATOM 1276 CD1 LEU A 88 0.386 4.027 -2.735 1.00 4.24 C ATOM 1277 CD2 LEU A 88 2.837 3.454 -3.176 1.00 42.22 C ATOM 0 H LEU A 88 1.300 3.966 -7.079 1.00 12.51 H new ATOM 0 HA LEU A 88 2.947 2.092 -5.495 1.00 23.33 H new ATOM 0 HB2 LEU A 88 0.025 2.831 -5.173 1.00 22.11 H new ATOM 0 HB3 LEU A 88 0.906 1.655 -4.219 1.00 22.11 H new ATOM 0 HG LEU A 88 1.558 4.609 -4.408 1.00 75.42 H new ATOM 0 HD11 LEU A 88 0.748 4.819 -2.080 1.00 4.24 H new ATOM 0 HD12 LEU A 88 -0.531 4.352 -3.226 1.00 4.24 H new ATOM 0 HD13 LEU A 88 0.185 3.133 -2.145 1.00 4.24 H new ATOM 0 HD21 LEU A 88 3.092 4.273 -2.504 1.00 42.22 H new ATOM 0 HD22 LEU A 88 2.816 2.519 -2.616 1.00 42.22 H new ATOM 0 HD23 LEU A 88 3.584 3.387 -3.967 1.00 42.22 H new ATOM 1289 N LEU A 89 1.894 0.124 -6.784 1.00 11.40 N ATOM 1290 CA LEU A 89 1.404 -0.885 -7.683 1.00 34.35 C ATOM 1291 C LEU A 89 0.533 -1.759 -6.871 1.00 71.13 C ATOM 1292 O LEU A 89 0.959 -2.249 -5.806 1.00 44.44 O ATOM 1293 CB LEU A 89 2.527 -1.747 -8.303 1.00 31.23 C ATOM 1294 CG LEU A 89 2.094 -2.617 -9.498 1.00 72.34 C ATOM 1295 CD1 LEU A 89 1.447 -1.794 -10.612 1.00 41.33 C ATOM 1296 CD2 LEU A 89 3.256 -3.444 -10.040 1.00 30.52 C ATOM 0 H LEU A 89 2.597 -0.192 -6.115 1.00 11.40 H new ATOM 0 HA LEU A 89 0.890 -0.404 -8.515 1.00 34.35 H new ATOM 0 HB2 LEU A 89 3.334 -1.089 -8.625 1.00 31.23 H new ATOM 0 HB3 LEU A 89 2.935 -2.397 -7.529 1.00 31.23 H new ATOM 0 HG LEU A 89 1.336 -3.304 -9.121 1.00 72.34 H new ATOM 0 HD11 LEU A 89 1.160 -2.453 -11.431 1.00 41.33 H new ATOM 0 HD12 LEU A 89 0.562 -1.289 -10.224 1.00 41.33 H new ATOM 0 HD13 LEU A 89 2.158 -1.052 -10.976 1.00 41.33 H new ATOM 0 HD21 LEU A 89 2.913 -4.045 -10.882 1.00 30.52 H new ATOM 0 HD22 LEU A 89 4.053 -2.778 -10.370 1.00 30.52 H new ATOM 0 HD23 LEU A 89 3.633 -4.100 -9.255 1.00 30.52 H new ATOM 1308 N LEU A 90 -0.713 -1.957 -7.321 1.00 33.52 N ATOM 1309 CA LEU A 90 -1.625 -2.772 -6.594 1.00 34.31 C ATOM 1310 C LEU A 90 -2.229 -3.685 -7.601 1.00 55.22 C ATOM 1311 O LEU A 90 -2.287 -3.367 -8.792 1.00 44.20 O ATOM 1312 CB LEU A 90 -2.772 -2.002 -5.862 1.00 70.33 C ATOM 1313 CG LEU A 90 -2.263 -1.053 -4.729 1.00 51.04 C ATOM 1314 CD1 LEU A 90 -1.846 0.343 -5.227 1.00 24.51 C ATOM 1315 CD2 LEU A 90 -3.226 -0.974 -3.533 1.00 64.25 C ATOM 0 H LEU A 90 -1.087 -1.556 -8.181 1.00 33.52 H new ATOM 0 HA LEU A 90 -1.073 -3.272 -5.798 1.00 34.31 H new ATOM 0 HB2 LEU A 90 -3.329 -1.416 -6.593 1.00 70.33 H new ATOM 0 HB3 LEU A 90 -3.468 -2.724 -5.435 1.00 70.33 H new ATOM 0 HG LEU A 90 -1.349 -1.524 -4.366 1.00 51.04 H new ATOM 0 HD11 LEU A 90 -1.505 0.943 -4.384 1.00 24.51 H new ATOM 0 HD12 LEU A 90 -1.039 0.244 -5.953 1.00 24.51 H new ATOM 0 HD13 LEU A 90 -2.699 0.831 -5.698 1.00 24.51 H new ATOM 0 HD21 LEU A 90 -2.817 -0.300 -2.780 1.00 64.25 H new ATOM 0 HD22 LEU A 90 -4.193 -0.599 -3.869 1.00 64.25 H new ATOM 0 HD23 LEU A 90 -3.352 -1.967 -3.101 1.00 64.25 H new ATOM 1327 N GLU A 91 -2.651 -4.861 -7.144 1.00 42.53 N ATOM 1328 CA GLU A 91 -3.320 -5.795 -7.988 1.00 12.11 C ATOM 1329 C GLU A 91 -4.579 -6.020 -7.280 1.00 31.43 C ATOM 1330 O GLU A 91 -4.586 -6.056 -6.054 1.00 72.20 O ATOM 1331 CB GLU A 91 -2.595 -7.173 -8.136 1.00 42.43 C ATOM 1332 CG GLU A 91 -3.273 -8.124 -9.152 1.00 50.23 C ATOM 1333 CD GLU A 91 -2.525 -9.435 -9.176 1.00 44.24 C ATOM 1334 OE1 GLU A 91 -1.299 -9.429 -9.424 1.00 43.45 O ATOM 1335 OE2 GLU A 91 -3.159 -10.491 -8.946 1.00 43.34 O ATOM 0 H GLU A 91 -2.531 -5.174 -6.181 1.00 42.53 H new ATOM 0 HA GLU A 91 -3.394 -5.403 -9.002 1.00 12.11 H new ATOM 0 HB2 GLU A 91 -1.564 -7.000 -8.445 1.00 42.43 H new ATOM 0 HB3 GLU A 91 -2.559 -7.661 -7.162 1.00 42.43 H new ATOM 0 HG2 GLU A 91 -4.314 -8.290 -8.875 1.00 50.23 H new ATOM 0 HG3 GLU A 91 -3.275 -7.674 -10.145 1.00 50.23 H new