USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 38 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 130:sc= -0.787 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -106:sc= -0.0974 (180deg=-1.79!) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.578 (180deg=0.348) USER MOD Single : A 50 THR OG1 : rot 64:sc= 0.0842 USER MOD Single : A 51 THR OG1 : rot -130:sc= -0.721 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -140:sc= 0.0845 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 0.244 -1.482 -2.908 1.00 40.54 N ATOM 19 CA LYS A 10 -0.006 -2.705 -3.661 1.00 31.23 C ATOM 20 C LYS A 10 -0.454 -2.387 -5.084 1.00 24.12 C ATOM 21 O LYS A 10 -1.197 -1.432 -5.312 1.00 31.34 O ATOM 22 CB LYS A 10 -1.069 -3.552 -2.958 1.00 34.23 C ATOM 23 CG LYS A 10 -0.535 -4.341 -1.775 1.00 4.32 C ATOM 24 CD LYS A 10 -1.531 -5.388 -1.307 1.00 22.23 C ATOM 25 CE LYS A 10 -1.189 -6.766 -1.853 1.00 2.01 C ATOM 26 NZ LYS A 10 -0.836 -7.721 -0.766 1.00 60.45 N ATOM 0 HA LYS A 10 0.926 -3.268 -3.710 1.00 31.23 H new ATOM 0 HB2 LYS A 10 -1.873 -2.900 -2.616 1.00 34.23 H new ATOM 0 HB3 LYS A 10 -1.505 -4.244 -3.679 1.00 34.23 H new ATOM 0 HG2 LYS A 10 0.401 -4.826 -2.053 1.00 4.32 H new ATOM 0 HG3 LYS A 10 -0.309 -3.660 -0.954 1.00 4.32 H new ATOM 0 HD2 LYS A 10 -1.542 -5.420 -0.218 1.00 22.23 H new ATOM 0 HD3 LYS A 10 -2.534 -5.107 -1.628 1.00 22.23 H new ATOM 0 HE2 LYS A 10 -2.038 -7.154 -2.416 1.00 2.01 H new ATOM 0 HE3 LYS A 10 -0.355 -6.684 -2.550 1.00 2.01 H new ATOM 0 HZ1 LYS A 10 -0.609 -8.648 -1.179 1.00 60.45 H new ATOM 0 HZ2 LYS A 10 -0.011 -7.363 -0.244 1.00 60.45 H new ATOM 0 HZ3 LYS A 10 -1.641 -7.819 -0.115 1.00 60.45 H new ATOM 40 N ILE A 11 0.002 -3.193 -6.037 1.00 25.04 N ATOM 41 CA ILE A 11 -0.354 -2.998 -7.437 1.00 24.14 C ATOM 42 C ILE A 11 -0.866 -4.293 -8.059 1.00 45.40 C ATOM 43 O ILE A 11 -0.386 -5.381 -7.740 1.00 3.43 O ATOM 44 CB ILE A 11 0.846 -2.486 -8.256 1.00 75.55 C ATOM 45 CG1 ILE A 11 1.969 -3.526 -8.261 1.00 13.50 C ATOM 46 CG2 ILE A 11 1.344 -1.162 -7.697 1.00 33.53 C ATOM 47 CD1 ILE A 11 2.292 -4.060 -9.639 1.00 32.13 C ATOM 0 H ILE A 11 0.619 -3.987 -5.865 1.00 25.04 H new ATOM 0 HA ILE A 11 -1.146 -2.249 -7.461 1.00 24.14 H new ATOM 0 HB ILE A 11 0.522 -2.324 -9.284 1.00 75.55 H new ATOM 0 HG12 ILE A 11 2.867 -3.081 -7.833 1.00 13.50 H new ATOM 0 HG13 ILE A 11 1.686 -4.357 -7.615 1.00 13.50 H new ATOM 0 HG21 ILE A 11 2.192 -0.814 -8.287 1.00 33.53 H new ATOM 0 HG22 ILE A 11 0.543 -0.424 -7.742 1.00 33.53 H new ATOM 0 HG23 ILE A 11 1.654 -1.298 -6.661 1.00 33.53 H new ATOM 0 HD11 ILE A 11 3.096 -4.792 -9.566 1.00 32.13 H new ATOM 0 HD12 ILE A 11 1.407 -4.535 -10.062 1.00 32.13 H new ATOM 0 HD13 ILE A 11 2.606 -3.239 -10.283 1.00 32.13 H new ATOM 59 N LYS A 12 -1.842 -4.168 -8.951 1.00 51.23 N ATOM 60 CA LYS A 12 -2.419 -5.327 -9.623 1.00 5.34 C ATOM 61 C LYS A 12 -2.275 -5.206 -11.136 1.00 53.43 C ATOM 62 O LYS A 12 -2.814 -4.282 -11.748 1.00 24.30 O ATOM 63 CB LYS A 12 -3.895 -5.476 -9.250 1.00 13.33 C ATOM 64 CG LYS A 12 -4.347 -6.920 -9.118 1.00 4.13 C ATOM 65 CD LYS A 12 -5.830 -7.069 -9.409 1.00 73.42 C ATOM 66 CE LYS A 12 -6.494 -8.038 -8.442 1.00 4.32 C ATOM 67 NZ LYS A 12 -6.800 -7.393 -7.135 1.00 32.22 N ATOM 0 H LYS A 12 -2.251 -3.275 -9.226 1.00 51.23 H new ATOM 0 HA LYS A 12 -1.877 -6.214 -9.294 1.00 5.34 H new ATOM 0 HB2 LYS A 12 -4.077 -4.960 -8.307 1.00 13.33 H new ATOM 0 HB3 LYS A 12 -4.504 -4.981 -10.007 1.00 13.33 H new ATOM 0 HG2 LYS A 12 -3.776 -7.545 -9.805 1.00 4.13 H new ATOM 0 HG3 LYS A 12 -4.135 -7.278 -8.110 1.00 4.13 H new ATOM 0 HD2 LYS A 12 -6.315 -6.095 -9.340 1.00 73.42 H new ATOM 0 HD3 LYS A 12 -5.968 -7.422 -10.431 1.00 73.42 H new ATOM 0 HE2 LYS A 12 -7.415 -8.419 -8.884 1.00 4.32 H new ATOM 0 HE3 LYS A 12 -5.840 -8.895 -8.280 1.00 4.32 H new ATOM 0 HZ1 LYS A 12 -7.252 -8.085 -6.504 1.00 32.22 H new ATOM 0 HZ2 LYS A 12 -5.918 -7.052 -6.701 1.00 32.22 H new ATOM 0 HZ3 LYS A 12 -7.444 -6.591 -7.286 1.00 32.22 H new ATOM 81 N ILE A 13 -1.548 -6.143 -11.734 1.00 74.52 N ATOM 82 CA ILE A 13 -1.338 -6.142 -13.176 1.00 64.25 C ATOM 83 C ILE A 13 -2.066 -7.306 -13.839 1.00 71.35 C ATOM 84 O ILE A 13 -1.831 -8.469 -13.509 1.00 51.24 O ATOM 85 CB ILE A 13 0.160 -6.222 -13.527 1.00 20.24 C ATOM 86 CG1 ILE A 13 0.349 -6.276 -15.044 1.00 3.40 C ATOM 87 CG2 ILE A 13 0.794 -7.437 -12.865 1.00 45.51 C ATOM 88 CD1 ILE A 13 1.550 -5.495 -15.531 1.00 54.40 C ATOM 0 H ILE A 13 -1.094 -6.913 -11.242 1.00 74.52 H new ATOM 0 HA ILE A 13 -1.742 -5.202 -13.552 1.00 64.25 H new ATOM 0 HB ILE A 13 0.655 -5.327 -13.150 1.00 20.24 H new ATOM 0 HG12 ILE A 13 0.453 -7.316 -15.352 1.00 3.40 H new ATOM 0 HG13 ILE A 13 -0.547 -5.888 -15.528 1.00 3.40 H new ATOM 0 HG21 ILE A 13 1.852 -7.481 -13.122 1.00 45.51 H new ATOM 0 HG22 ILE A 13 0.686 -7.360 -11.783 1.00 45.51 H new ATOM 0 HG23 ILE A 13 0.298 -8.342 -13.215 1.00 45.51 H new ATOM 0 HD11 ILE A 13 1.622 -5.578 -16.615 1.00 54.40 H new ATOM 0 HD12 ILE A 13 1.439 -4.447 -15.253 1.00 54.40 H new ATOM 0 HD13 ILE A 13 2.455 -5.897 -15.075 1.00 54.40 H new ATOM 100 N VAL A 14 -2.951 -6.986 -14.778 1.00 42.04 N ATOM 101 CA VAL A 14 -3.712 -8.005 -15.491 1.00 52.00 C ATOM 102 C VAL A 14 -3.110 -8.281 -16.864 1.00 24.52 C ATOM 103 O VAL A 14 -3.192 -7.465 -17.781 1.00 43.43 O ATOM 104 CB VAL A 14 -5.185 -7.587 -15.664 1.00 24.35 C ATOM 105 CG1 VAL A 14 -6.015 -8.756 -16.171 1.00 54.14 C ATOM 106 CG2 VAL A 14 -5.744 -7.055 -14.353 1.00 1.41 C ATOM 0 H VAL A 14 -3.159 -6.029 -15.063 1.00 42.04 H new ATOM 0 HA VAL A 14 -3.667 -8.912 -14.889 1.00 52.00 H new ATOM 0 HB VAL A 14 -5.234 -6.789 -16.405 1.00 24.35 H new ATOM 0 HG11 VAL A 14 -7.052 -8.442 -16.287 1.00 54.14 H new ATOM 0 HG12 VAL A 14 -5.626 -9.088 -17.134 1.00 54.14 H new ATOM 0 HG13 VAL A 14 -5.962 -9.577 -15.456 1.00 54.14 H new ATOM 0 HG21 VAL A 14 -6.785 -6.764 -14.493 1.00 1.41 H new ATOM 0 HG22 VAL A 14 -5.683 -7.831 -13.590 1.00 1.41 H new ATOM 0 HG23 VAL A 14 -5.165 -6.188 -14.036 1.00 1.41 H new ATOM 116 N PRO A 15 -2.489 -9.461 -17.011 1.00 21.42 N ATOM 117 CA PRO A 15 -1.861 -9.874 -18.269 1.00 63.13 C ATOM 118 C PRO A 15 -2.885 -10.166 -19.360 1.00 74.41 C ATOM 119 O PRO A 15 -3.881 -10.849 -19.122 1.00 53.03 O ATOM 120 CB PRO A 15 -1.107 -11.151 -17.888 1.00 10.43 C ATOM 121 CG PRO A 15 -1.840 -11.684 -16.706 1.00 32.42 C ATOM 122 CD PRO A 15 -2.353 -10.484 -15.960 1.00 1.33 C ATOM 0 HA PRO A 15 -1.222 -9.092 -18.681 1.00 63.13 H new ATOM 0 HB2 PRO A 15 -1.103 -11.869 -18.708 1.00 10.43 H new ATOM 0 HB3 PRO A 15 -0.066 -10.939 -17.646 1.00 10.43 H new ATOM 0 HG2 PRO A 15 -2.661 -12.331 -17.015 1.00 32.42 H new ATOM 0 HG3 PRO A 15 -1.182 -12.283 -16.076 1.00 32.42 H new ATOM 0 HD2 PRO A 15 -3.307 -10.690 -15.474 1.00 1.33 H new ATOM 0 HD3 PRO A 15 -1.660 -10.169 -15.180 1.00 1.33 H new ATOM 130 N ALA A 16 -2.634 -9.646 -20.557 1.00 1.33 N ATOM 131 CA ALA A 16 -3.534 -9.853 -21.685 1.00 24.35 C ATOM 132 C ALA A 16 -3.156 -11.108 -22.464 1.00 71.32 C ATOM 133 O ALA A 16 -2.936 -11.057 -23.674 1.00 50.13 O ATOM 134 CB ALA A 16 -3.522 -8.638 -22.600 1.00 11.34 C ATOM 0 H ALA A 16 -1.814 -9.078 -20.771 1.00 1.33 H new ATOM 0 HA ALA A 16 -4.542 -9.989 -21.294 1.00 24.35 H new ATOM 0 HB1 ALA A 16 -4.199 -8.807 -23.438 1.00 11.34 H new ATOM 0 HB2 ALA A 16 -3.847 -7.759 -22.043 1.00 11.34 H new ATOM 0 HB3 ALA A 16 -2.512 -8.476 -22.976 1.00 11.34 H new ATOM 170 N GLY A 20 -6.141 -14.173 -19.485 1.00 2.50 N ATOM 171 CA GLY A 20 -5.185 -14.324 -18.404 1.00 21.04 C ATOM 172 C GLY A 20 -5.778 -13.977 -17.053 1.00 32.45 C ATOM 173 O GLY A 20 -6.971 -13.692 -16.945 1.00 61.44 O ATOM 0 HA2 GLY A 20 -4.822 -15.352 -18.385 1.00 21.04 H new ATOM 0 HA3 GLY A 20 -4.323 -13.685 -18.594 1.00 21.04 H new ATOM 177 N SER A 21 -4.945 -14.003 -16.018 1.00 25.14 N ATOM 178 CA SER A 21 -5.395 -13.694 -14.665 1.00 62.54 C ATOM 179 C SER A 21 -4.508 -12.629 -14.027 1.00 70.54 C ATOM 180 O SER A 21 -3.295 -12.590 -14.234 1.00 41.10 O ATOM 181 CB SER A 21 -5.393 -14.959 -13.804 1.00 15.43 C ATOM 182 OG SER A 21 -4.213 -15.715 -14.009 1.00 44.42 O ATOM 0 H SER A 21 -3.954 -14.235 -16.090 1.00 25.14 H new ATOM 0 HA SER A 21 -6.412 -13.306 -14.726 1.00 62.54 H new ATOM 0 HB2 SER A 21 -5.475 -14.686 -12.752 1.00 15.43 H new ATOM 0 HB3 SER A 21 -6.265 -15.568 -14.045 1.00 15.43 H new ATOM 0 HG SER A 21 -4.236 -16.517 -13.446 1.00 44.42 H new ATOM 188 N PRO A 22 -5.127 -11.744 -13.232 1.00 61.13 N ATOM 189 CA PRO A 22 -4.414 -10.662 -12.547 1.00 30.12 C ATOM 190 C PRO A 22 -3.510 -11.178 -11.433 1.00 21.33 C ATOM 191 O PRO A 22 -3.800 -12.198 -10.806 1.00 71.31 O ATOM 192 CB PRO A 22 -5.542 -9.806 -11.966 1.00 53.13 C ATOM 193 CG PRO A 22 -6.689 -10.744 -11.813 1.00 73.11 C ATOM 194 CD PRO A 22 -6.570 -11.731 -12.941 1.00 33.40 C ATOM 0 HA PRO A 22 -3.752 -10.119 -13.222 1.00 30.12 H new ATOM 0 HB2 PRO A 22 -5.256 -9.371 -11.008 1.00 53.13 H new ATOM 0 HB3 PRO A 22 -5.793 -8.979 -12.630 1.00 53.13 H new ATOM 0 HG2 PRO A 22 -6.654 -11.249 -10.848 1.00 73.11 H new ATOM 0 HG3 PRO A 22 -7.638 -10.210 -11.860 1.00 73.11 H new ATOM 0 HD2 PRO A 22 -6.930 -12.718 -12.651 1.00 33.40 H new ATOM 0 HD3 PRO A 22 -7.152 -11.421 -13.809 1.00 33.40 H new ATOM 202 N LEU A 23 -2.414 -10.468 -11.190 1.00 64.32 N ATOM 203 CA LEU A 23 -1.466 -10.855 -10.150 1.00 54.31 C ATOM 204 C LEU A 23 -1.172 -9.683 -9.219 1.00 44.34 C ATOM 205 O LEU A 23 -1.071 -8.538 -9.660 1.00 65.54 O ATOM 206 CB LEU A 23 -0.167 -11.361 -10.779 1.00 0.12 C ATOM 207 CG LEU A 23 1.014 -11.542 -9.825 1.00 2.12 C ATOM 208 CD1 LEU A 23 1.793 -12.801 -10.172 1.00 70.03 C ATOM 209 CD2 LEU A 23 1.923 -10.322 -9.864 1.00 64.23 C ATOM 0 H LEU A 23 -2.159 -9.621 -11.699 1.00 64.32 H new ATOM 0 HA LEU A 23 -1.914 -11.657 -9.564 1.00 54.31 H new ATOM 0 HB2 LEU A 23 -0.369 -12.317 -11.261 1.00 0.12 H new ATOM 0 HB3 LEU A 23 0.129 -10.665 -11.564 1.00 0.12 H new ATOM 0 HG LEU A 23 0.625 -11.648 -8.812 1.00 2.12 H new ATOM 0 HD11 LEU A 23 2.630 -12.913 -9.482 1.00 70.03 H new ATOM 0 HD12 LEU A 23 1.138 -13.668 -10.091 1.00 70.03 H new ATOM 0 HD13 LEU A 23 2.171 -12.726 -11.192 1.00 70.03 H new ATOM 0 HD21 LEU A 23 2.758 -10.468 -9.179 1.00 64.23 H new ATOM 0 HD22 LEU A 23 2.304 -10.184 -10.876 1.00 64.23 H new ATOM 0 HD23 LEU A 23 1.359 -9.438 -9.565 1.00 64.23 H new ATOM 221 N GLU A 24 -1.033 -9.978 -7.931 1.00 1.54 N ATOM 222 CA GLU A 24 -0.748 -8.948 -6.938 1.00 50.55 C ATOM 223 C GLU A 24 0.727 -8.961 -6.548 1.00 62.04 C ATOM 224 O GLU A 24 1.278 -10.004 -6.194 1.00 30.21 O ATOM 225 CB GLU A 24 -1.617 -9.151 -5.696 1.00 13.22 C ATOM 226 CG GLU A 24 -1.284 -10.414 -4.920 1.00 33.00 C ATOM 227 CD GLU A 24 -2.522 -11.176 -4.486 1.00 43.43 C ATOM 228 OE1 GLU A 24 -3.491 -10.528 -4.039 1.00 31.32 O ATOM 229 OE2 GLU A 24 -2.520 -12.420 -4.595 1.00 52.11 O ATOM 0 H GLU A 24 -1.113 -10.921 -7.550 1.00 1.54 H new ATOM 0 HA GLU A 24 -0.980 -7.979 -7.380 1.00 50.55 H new ATOM 0 HB2 GLU A 24 -1.502 -8.290 -5.038 1.00 13.22 H new ATOM 0 HB3 GLU A 24 -2.664 -9.185 -5.997 1.00 13.22 H new ATOM 0 HG2 GLU A 24 -0.661 -11.062 -5.537 1.00 33.00 H new ATOM 0 HG3 GLU A 24 -0.697 -10.151 -4.040 1.00 33.00 H new ATOM 236 N LEU A 25 1.362 -7.796 -6.617 1.00 14.12 N ATOM 237 CA LEU A 25 2.774 -7.672 -6.272 1.00 34.14 C ATOM 238 C LEU A 25 3.048 -6.346 -5.569 1.00 22.52 C ATOM 239 O LEU A 25 2.266 -5.403 -5.677 1.00 0.22 O ATOM 240 CB LEU A 25 3.638 -7.785 -7.529 1.00 0.24 C ATOM 241 CG LEU A 25 4.608 -8.966 -7.573 1.00 34.42 C ATOM 242 CD1 LEU A 25 5.417 -8.945 -8.860 1.00 2.30 C ATOM 243 CD2 LEU A 25 5.528 -8.947 -6.361 1.00 40.42 C ATOM 0 H LEU A 25 0.921 -6.924 -6.909 1.00 14.12 H new ATOM 0 HA LEU A 25 3.029 -8.483 -5.590 1.00 34.14 H new ATOM 0 HB2 LEU A 25 2.978 -7.850 -8.394 1.00 0.24 H new ATOM 0 HB3 LEU A 25 4.212 -6.865 -7.635 1.00 0.24 H new ATOM 0 HG LEU A 25 4.028 -9.888 -7.548 1.00 34.42 H new ATOM 0 HD11 LEU A 25 6.102 -9.793 -8.873 1.00 2.30 H new ATOM 0 HD12 LEU A 25 4.743 -9.009 -9.714 1.00 2.30 H new ATOM 0 HD13 LEU A 25 5.987 -8.018 -8.916 1.00 2.30 H new ATOM 0 HD21 LEU A 25 6.211 -9.795 -6.410 1.00 40.42 H new ATOM 0 HD22 LEU A 25 6.101 -8.020 -6.353 1.00 40.42 H new ATOM 0 HD23 LEU A 25 4.932 -9.013 -5.451 1.00 40.42 H new ATOM 255 N GLU A 26 4.165 -6.283 -4.851 1.00 64.21 N ATOM 256 CA GLU A 26 4.543 -5.072 -4.132 1.00 61.12 C ATOM 257 C GLU A 26 5.680 -4.347 -4.847 1.00 22.51 C ATOM 258 O GLU A 26 6.824 -4.802 -4.838 1.00 21.34 O ATOM 259 CB GLU A 26 4.961 -5.412 -2.700 1.00 12.11 C ATOM 260 CG GLU A 26 4.005 -6.360 -1.996 1.00 14.23 C ATOM 261 CD GLU A 26 4.361 -7.817 -2.214 1.00 65.33 C ATOM 262 OE1 GLU A 26 5.422 -8.250 -1.717 1.00 34.34 O ATOM 263 OE2 GLU A 26 3.579 -8.525 -2.883 1.00 45.15 O ATOM 0 H GLU A 26 4.823 -7.056 -4.752 1.00 64.21 H new ATOM 0 HA GLU A 26 3.676 -4.412 -4.103 1.00 61.12 H new ATOM 0 HB2 GLU A 26 5.955 -5.858 -2.717 1.00 12.11 H new ATOM 0 HB3 GLU A 26 5.035 -4.490 -2.123 1.00 12.11 H new ATOM 0 HG2 GLU A 26 4.008 -6.145 -0.927 1.00 14.23 H new ATOM 0 HG3 GLU A 26 2.991 -6.180 -2.354 1.00 14.23 H new ATOM 270 N VAL A 27 5.356 -3.217 -5.467 1.00 5.14 N ATOM 271 CA VAL A 27 6.349 -2.428 -6.186 1.00 64.21 C ATOM 272 C VAL A 27 6.117 -0.935 -5.984 1.00 30.13 C ATOM 273 O VAL A 27 5.007 -0.506 -5.670 1.00 21.33 O ATOM 274 CB VAL A 27 6.328 -2.740 -7.694 1.00 64.03 C ATOM 275 CG1 VAL A 27 7.571 -2.184 -8.372 1.00 44.21 C ATOM 276 CG2 VAL A 27 6.210 -4.239 -7.926 1.00 40.24 C ATOM 0 H VAL A 27 4.414 -2.827 -5.486 1.00 5.14 H new ATOM 0 HA VAL A 27 7.323 -2.699 -5.779 1.00 64.21 H new ATOM 0 HB VAL A 27 5.456 -2.257 -8.135 1.00 64.03 H new ATOM 0 HG11 VAL A 27 7.538 -2.414 -9.437 1.00 44.21 H new ATOM 0 HG12 VAL A 27 7.607 -1.103 -8.235 1.00 44.21 H new ATOM 0 HG13 VAL A 27 8.459 -2.636 -7.930 1.00 44.21 H new ATOM 0 HG21 VAL A 27 6.197 -4.441 -8.997 1.00 40.24 H new ATOM 0 HG22 VAL A 27 7.061 -4.746 -7.472 1.00 40.24 H new ATOM 0 HG23 VAL A 27 5.287 -4.605 -7.476 1.00 40.24 H new ATOM 286 N ALA A 28 7.172 -0.148 -6.166 1.00 52.43 N ATOM 287 CA ALA A 28 7.082 1.298 -6.006 1.00 43.54 C ATOM 288 C ALA A 28 7.278 2.011 -7.340 1.00 43.50 C ATOM 289 O ALA A 28 8.351 1.968 -7.943 1.00 73.32 O ATOM 290 CB ALA A 28 8.108 1.782 -4.992 1.00 31.33 C ATOM 0 H ALA A 28 8.099 -0.487 -6.424 1.00 52.43 H new ATOM 0 HA ALA A 28 6.084 1.536 -5.639 1.00 43.54 H new ATOM 0 HB1 ALA A 28 8.029 2.864 -4.883 1.00 31.33 H new ATOM 0 HB2 ALA A 28 7.921 1.305 -4.030 1.00 31.33 H new ATOM 0 HB3 ALA A 28 9.110 1.524 -5.336 1.00 31.33 H new ATOM 296 N PRO A 29 6.219 2.684 -7.814 1.00 12.14 N ATOM 297 CA PRO A 29 6.250 3.419 -9.081 1.00 41.25 C ATOM 298 C PRO A 29 7.130 4.662 -9.009 1.00 45.23 C ATOM 299 O PRO A 29 7.460 5.261 -10.032 1.00 54.21 O ATOM 300 CB PRO A 29 4.787 3.812 -9.300 1.00 11.33 C ATOM 301 CG PRO A 29 4.195 3.845 -7.933 1.00 24.42 C ATOM 302 CD PRO A 29 4.909 2.779 -7.148 1.00 10.15 C ATOM 0 HA PRO A 29 6.670 2.820 -9.889 1.00 41.25 H new ATOM 0 HB2 PRO A 29 4.707 4.783 -9.790 1.00 11.33 H new ATOM 0 HB3 PRO A 29 4.274 3.091 -9.936 1.00 11.33 H new ATOM 0 HG2 PRO A 29 4.329 4.824 -7.473 1.00 24.42 H new ATOM 0 HG3 PRO A 29 3.123 3.653 -7.967 1.00 24.42 H new ATOM 0 HD2 PRO A 29 5.011 3.054 -6.098 1.00 10.15 H new ATOM 0 HD3 PRO A 29 4.373 1.830 -7.179 1.00 10.15 H new ATOM 310 N ASN A 30 7.509 5.044 -7.794 1.00 31.13 N ATOM 311 CA ASN A 30 8.352 6.216 -7.589 1.00 14.44 C ATOM 312 C ASN A 30 9.829 5.852 -7.705 1.00 35.22 C ATOM 313 O ASN A 30 10.704 6.659 -7.394 1.00 51.14 O ATOM 314 CB ASN A 30 8.074 6.836 -6.217 1.00 42.15 C ATOM 315 CG ASN A 30 8.441 5.906 -5.078 1.00 21.45 C ATOM 316 OD1 ASN A 30 9.615 5.608 -4.858 1.00 23.02 O ATOM 317 ND2 ASN A 30 7.435 5.441 -4.346 1.00 12.31 N ATOM 0 H ASN A 30 7.246 4.559 -6.936 1.00 31.13 H new ATOM 0 HA ASN A 30 8.114 6.944 -8.365 1.00 14.44 H new ATOM 0 HB2 ASN A 30 8.637 7.764 -6.120 1.00 42.15 H new ATOM 0 HB3 ASN A 30 7.018 7.095 -6.145 1.00 42.15 H new ATOM 0 HD21 ASN A 30 7.621 4.811 -3.566 1.00 12.31 H new ATOM 0 HD22 ASN A 30 6.477 5.714 -4.564 1.00 12.31 H new ATOM 324 N ALA A 31 10.097 4.630 -8.155 1.00 2.52 N ATOM 325 CA ALA A 31 11.467 4.160 -8.315 1.00 23.42 C ATOM 326 C ALA A 31 11.889 4.185 -9.780 1.00 71.21 C ATOM 327 O ALA A 31 12.615 5.080 -10.213 1.00 42.12 O ATOM 328 CB ALA A 31 11.613 2.756 -7.746 1.00 11.02 C ATOM 0 H ALA A 31 9.384 3.949 -8.415 1.00 2.52 H new ATOM 0 HA ALA A 31 12.123 4.834 -7.764 1.00 23.42 H new ATOM 0 HB1 ALA A 31 12.641 2.417 -7.872 1.00 11.02 H new ATOM 0 HB2 ALA A 31 11.362 2.765 -6.685 1.00 11.02 H new ATOM 0 HB3 ALA A 31 10.941 2.078 -8.272 1.00 11.02 H new ATOM 334 N THR A 32 11.429 3.196 -10.541 1.00 24.25 N ATOM 335 CA THR A 32 11.760 3.104 -11.957 1.00 24.42 C ATOM 336 C THR A 32 10.725 2.276 -12.711 1.00 5.24 C ATOM 337 O THR A 32 10.204 1.291 -12.189 1.00 21.42 O ATOM 338 CB THR A 32 13.153 2.480 -12.169 1.00 12.01 C ATOM 339 OG1 THR A 32 13.978 2.724 -11.025 1.00 4.33 O ATOM 340 CG2 THR A 32 13.818 3.052 -13.412 1.00 21.41 C ATOM 0 H THR A 32 10.826 2.448 -10.199 1.00 24.25 H new ATOM 0 HA THR A 32 11.762 4.122 -12.348 1.00 24.42 H new ATOM 0 HB THR A 32 13.029 1.406 -12.304 1.00 12.01 H new ATOM 0 HG1 THR A 32 14.861 2.323 -11.167 1.00 4.33 H new ATOM 0 HG21 THR A 32 14.800 2.597 -13.541 1.00 21.41 H new ATOM 0 HG22 THR A 32 13.201 2.839 -14.285 1.00 21.41 H new ATOM 0 HG23 THR A 32 13.930 4.131 -13.301 1.00 21.41 H new ATOM 348 N VAL A 33 10.432 2.683 -13.942 1.00 22.32 N ATOM 349 CA VAL A 33 9.460 1.977 -14.769 1.00 3.44 C ATOM 350 C VAL A 33 9.979 0.602 -15.174 1.00 50.44 C ATOM 351 O VAL A 33 9.269 -0.397 -15.069 1.00 12.43 O ATOM 352 CB VAL A 33 9.116 2.779 -16.038 1.00 2.22 C ATOM 353 CG1 VAL A 33 8.001 2.097 -16.815 1.00 34.23 C ATOM 354 CG2 VAL A 33 8.731 4.206 -15.678 1.00 12.11 C ATOM 0 H VAL A 33 10.853 3.497 -14.389 1.00 22.32 H new ATOM 0 HA VAL A 33 8.559 1.859 -14.168 1.00 3.44 H new ATOM 0 HB VAL A 33 10.000 2.815 -16.675 1.00 2.22 H new ATOM 0 HG11 VAL A 33 7.772 2.678 -17.708 1.00 34.23 H new ATOM 0 HG12 VAL A 33 8.320 1.096 -17.105 1.00 34.23 H new ATOM 0 HG13 VAL A 33 7.111 2.027 -16.189 1.00 34.23 H new ATOM 0 HG21 VAL A 33 8.491 4.758 -16.587 1.00 12.11 H new ATOM 0 HG22 VAL A 33 7.862 4.193 -15.021 1.00 12.11 H new ATOM 0 HG23 VAL A 33 9.564 4.690 -15.168 1.00 12.11 H new ATOM 364 N GLY A 34 11.224 0.559 -15.639 1.00 70.14 N ATOM 365 CA GLY A 34 11.817 -0.699 -16.054 1.00 5.21 C ATOM 366 C GLY A 34 11.929 -1.691 -14.913 1.00 43.04 C ATOM 367 O GLY A 34 11.816 -2.899 -15.119 1.00 40.14 O ATOM 0 H GLY A 34 11.832 1.372 -15.736 1.00 70.14 H new ATOM 0 HA2 GLY A 34 11.216 -1.135 -16.852 1.00 5.21 H new ATOM 0 HA3 GLY A 34 12.808 -0.511 -16.467 1.00 5.21 H new ATOM 371 N ALA A 35 12.154 -1.181 -13.707 1.00 52.41 N ATOM 372 CA ALA A 35 12.281 -2.030 -12.530 1.00 32.34 C ATOM 373 C ALA A 35 10.971 -2.750 -12.228 1.00 73.22 C ATOM 374 O ALA A 35 10.958 -3.953 -11.964 1.00 52.42 O ATOM 375 CB ALA A 35 12.721 -1.206 -11.329 1.00 14.02 C ATOM 0 H ALA A 35 12.252 -0.183 -13.520 1.00 52.41 H new ATOM 0 HA ALA A 35 13.040 -2.784 -12.737 1.00 32.34 H new ATOM 0 HB1 ALA A 35 12.812 -1.854 -10.457 1.00 14.02 H new ATOM 0 HB2 ALA A 35 13.685 -0.743 -11.539 1.00 14.02 H new ATOM 0 HB3 ALA A 35 11.982 -0.430 -11.129 1.00 14.02 H new ATOM 381 N VAL A 36 9.869 -2.007 -12.269 1.00 4.23 N ATOM 382 CA VAL A 36 8.554 -2.575 -12.000 1.00 54.52 C ATOM 383 C VAL A 36 8.143 -3.553 -13.095 1.00 65.00 C ATOM 384 O VAL A 36 7.666 -4.652 -12.812 1.00 54.24 O ATOM 385 CB VAL A 36 7.482 -1.475 -11.882 1.00 35.04 C ATOM 386 CG1 VAL A 36 6.169 -2.060 -11.384 1.00 73.53 C ATOM 387 CG2 VAL A 36 7.960 -0.361 -10.962 1.00 64.55 C ATOM 0 H VAL A 36 9.862 -1.010 -12.486 1.00 4.23 H new ATOM 0 HA VAL A 36 8.627 -3.106 -11.051 1.00 54.52 H new ATOM 0 HB VAL A 36 7.312 -1.051 -12.872 1.00 35.04 H new ATOM 0 HG11 VAL A 36 5.424 -1.268 -11.307 1.00 73.53 H new ATOM 0 HG12 VAL A 36 5.820 -2.819 -12.084 1.00 73.53 H new ATOM 0 HG13 VAL A 36 6.321 -2.512 -10.404 1.00 73.53 H new ATOM 0 HG21 VAL A 36 7.190 0.407 -10.890 1.00 64.55 H new ATOM 0 HG22 VAL A 36 8.160 -0.768 -9.971 1.00 64.55 H new ATOM 0 HG23 VAL A 36 8.873 0.077 -11.365 1.00 64.55 H new ATOM 397 N ARG A 37 8.334 -3.147 -14.346 1.00 11.41 N ATOM 398 CA ARG A 37 7.983 -3.987 -15.484 1.00 61.32 C ATOM 399 C ARG A 37 8.765 -5.297 -15.454 1.00 64.03 C ATOM 400 O ARG A 37 8.229 -6.361 -15.765 1.00 60.21 O ATOM 401 CB ARG A 37 8.256 -3.248 -16.795 1.00 41.41 C ATOM 402 CG ARG A 37 7.686 -3.946 -18.019 1.00 12.03 C ATOM 403 CD ARG A 37 8.116 -3.257 -19.304 1.00 70.14 C ATOM 404 NE ARG A 37 8.944 -4.123 -20.139 1.00 24.43 N ATOM 405 CZ ARG A 37 9.543 -3.717 -21.253 1.00 1.13 C ATOM 406 NH1 ARG A 37 9.406 -2.464 -21.663 1.00 42.34 N ATOM 407 NH2 ARG A 37 10.281 -4.565 -21.958 1.00 50.41 N ATOM 0 H ARG A 37 8.730 -2.241 -14.597 1.00 11.41 H new ATOM 0 HA ARG A 37 6.919 -4.217 -15.419 1.00 61.32 H new ATOM 0 HB2 ARG A 37 7.835 -2.245 -16.731 1.00 41.41 H new ATOM 0 HB3 ARG A 37 9.333 -3.135 -16.921 1.00 41.41 H new ATOM 0 HG2 ARG A 37 8.016 -4.985 -18.034 1.00 12.03 H new ATOM 0 HG3 ARG A 37 6.598 -3.959 -17.958 1.00 12.03 H new ATOM 0 HD2 ARG A 37 7.233 -2.950 -19.864 1.00 70.14 H new ATOM 0 HD3 ARG A 37 8.670 -2.350 -19.061 1.00 70.14 H new ATOM 0 HE ARG A 37 9.069 -5.093 -19.851 1.00 24.43 H new ATOM 0 HH11 ARG A 37 8.840 -1.810 -21.123 1.00 42.34 H new ATOM 0 HH12 ARG A 37 9.867 -2.154 -22.519 1.00 42.34 H new ATOM 0 HH21 ARG A 37 10.389 -5.530 -21.645 1.00 50.41 H new ATOM 0 HH22 ARG A 37 10.740 -4.252 -22.813 1.00 50.41 H new ATOM 421 N THR A 38 10.038 -5.212 -15.079 1.00 11.05 N ATOM 422 CA THR A 38 10.895 -6.389 -15.010 1.00 12.24 C ATOM 423 C THR A 38 10.492 -7.295 -13.852 1.00 73.43 C ATOM 424 O THR A 38 10.528 -8.521 -13.968 1.00 13.42 O ATOM 425 CB THR A 38 12.376 -5.997 -14.848 1.00 54.11 C ATOM 426 OG1 THR A 38 12.790 -5.183 -15.951 1.00 10.32 O ATOM 427 CG2 THR A 38 13.257 -7.234 -14.765 1.00 71.02 C ATOM 0 H THR A 38 10.498 -4.340 -14.818 1.00 11.05 H new ATOM 0 HA THR A 38 10.770 -6.927 -15.950 1.00 12.24 H new ATOM 0 HB THR A 38 12.481 -5.433 -13.921 1.00 54.11 H new ATOM 0 HG1 THR A 38 12.686 -4.237 -15.717 1.00 10.32 H new ATOM 0 HG21 THR A 38 14.298 -6.932 -14.651 1.00 71.02 H new ATOM 0 HG22 THR A 38 12.958 -7.837 -13.908 1.00 71.02 H new ATOM 0 HG23 THR A 38 13.147 -7.821 -15.677 1.00 71.02 H new ATOM 435 N LYS A 39 10.107 -6.686 -12.736 1.00 20.11 N ATOM 436 CA LYS A 39 9.695 -7.438 -11.557 1.00 14.14 C ATOM 437 C LYS A 39 8.447 -8.265 -11.848 1.00 34.23 C ATOM 438 O LYS A 39 8.379 -9.446 -11.506 1.00 72.12 O ATOM 439 CB LYS A 39 9.428 -6.487 -10.388 1.00 13.32 C ATOM 440 CG LYS A 39 9.091 -7.199 -9.089 1.00 1.41 C ATOM 441 CD LYS A 39 10.241 -8.073 -8.618 1.00 2.21 C ATOM 442 CE LYS A 39 11.479 -7.245 -8.306 1.00 33.23 C ATOM 443 NZ LYS A 39 11.964 -7.475 -6.917 1.00 32.23 N ATOM 0 H LYS A 39 10.072 -5.673 -12.623 1.00 20.11 H new ATOM 0 HA LYS A 39 10.505 -8.116 -11.288 1.00 14.14 H new ATOM 0 HB2 LYS A 39 10.307 -5.861 -10.232 1.00 13.32 H new ATOM 0 HB3 LYS A 39 8.606 -5.822 -10.652 1.00 13.32 H new ATOM 0 HG2 LYS A 39 8.854 -6.463 -8.321 1.00 1.41 H new ATOM 0 HG3 LYS A 39 8.201 -7.812 -9.229 1.00 1.41 H new ATOM 0 HD2 LYS A 39 9.938 -8.626 -7.729 1.00 2.21 H new ATOM 0 HD3 LYS A 39 10.478 -8.809 -9.386 1.00 2.21 H new ATOM 0 HE2 LYS A 39 12.270 -7.494 -9.013 1.00 33.23 H new ATOM 0 HE3 LYS A 39 11.252 -6.187 -8.441 1.00 33.23 H new ATOM 0 HZ1 LYS A 39 12.808 -6.893 -6.743 1.00 32.23 H new ATOM 0 HZ2 LYS A 39 11.218 -7.213 -6.241 1.00 32.23 H new ATOM 0 HZ3 LYS A 39 12.205 -8.479 -6.795 1.00 32.23 H new ATOM 457 N VAL A 40 7.461 -7.638 -12.482 1.00 31.11 N ATOM 458 CA VAL A 40 6.216 -8.317 -12.821 1.00 62.34 C ATOM 459 C VAL A 40 6.436 -9.352 -13.919 1.00 45.12 C ATOM 460 O VAL A 40 5.858 -10.439 -13.887 1.00 54.54 O ATOM 461 CB VAL A 40 5.139 -7.318 -13.282 1.00 11.40 C ATOM 462 CG1 VAL A 40 5.629 -6.518 -14.479 1.00 43.32 C ATOM 463 CG2 VAL A 40 3.844 -8.045 -13.610 1.00 54.54 C ATOM 0 H VAL A 40 7.500 -6.661 -12.771 1.00 31.11 H new ATOM 0 HA VAL A 40 5.873 -8.818 -11.916 1.00 62.34 H new ATOM 0 HB VAL A 40 4.942 -6.622 -12.467 1.00 11.40 H new ATOM 0 HG11 VAL A 40 4.854 -5.817 -14.790 1.00 43.32 H new ATOM 0 HG12 VAL A 40 6.528 -5.966 -14.204 1.00 43.32 H new ATOM 0 HG13 VAL A 40 5.857 -7.196 -15.301 1.00 43.32 H new ATOM 0 HG21 VAL A 40 3.094 -7.324 -13.934 1.00 54.54 H new ATOM 0 HG22 VAL A 40 4.023 -8.765 -14.408 1.00 54.54 H new ATOM 0 HG23 VAL A 40 3.485 -8.568 -12.723 1.00 54.54 H new ATOM 473 N CYS A 41 7.277 -9.008 -14.889 1.00 13.33 N ATOM 474 CA CYS A 41 7.574 -9.907 -15.998 1.00 51.00 C ATOM 475 C CYS A 41 8.188 -11.209 -15.493 1.00 55.22 C ATOM 476 O CYS A 41 7.792 -12.296 -15.911 1.00 73.34 O ATOM 477 CB CYS A 41 8.524 -9.232 -16.989 1.00 15.13 C ATOM 478 SG CYS A 41 9.190 -10.345 -18.248 1.00 23.22 S ATOM 0 H CYS A 41 7.765 -8.113 -14.929 1.00 13.33 H new ATOM 0 HA CYS A 41 6.638 -10.140 -16.505 1.00 51.00 H new ATOM 0 HB2 CYS A 41 7.997 -8.416 -17.483 1.00 15.13 H new ATOM 0 HB3 CYS A 41 9.352 -8.788 -16.437 1.00 15.13 H new ATOM 0 HG CYS A 41 9.028 -9.816 -19.424 1.00 23.22 H new ATOM 484 N ALA A 42 9.158 -11.089 -14.593 1.00 34.44 N ATOM 485 CA ALA A 42 9.826 -12.256 -14.031 1.00 31.55 C ATOM 486 C ALA A 42 8.879 -13.056 -13.141 1.00 45.23 C ATOM 487 O ALA A 42 8.932 -14.285 -13.110 1.00 53.14 O ATOM 488 CB ALA A 42 11.058 -11.832 -13.246 1.00 3.14 C ATOM 0 H ALA A 42 9.499 -10.196 -14.238 1.00 34.44 H new ATOM 0 HA ALA A 42 10.137 -12.898 -14.856 1.00 31.55 H new ATOM 0 HB1 ALA A 42 11.547 -12.714 -12.832 1.00 3.14 H new ATOM 0 HB2 ALA A 42 11.750 -11.311 -13.908 1.00 3.14 H new ATOM 0 HB3 ALA A 42 10.762 -11.167 -12.435 1.00 3.14 H new ATOM 494 N MET A 43 8.016 -12.350 -12.419 1.00 12.30 N ATOM 495 CA MET A 43 7.057 -12.995 -11.529 1.00 42.22 C ATOM 496 C MET A 43 6.100 -13.885 -12.315 1.00 54.21 C ATOM 497 O MET A 43 5.598 -14.883 -11.798 1.00 73.12 O ATOM 498 CB MET A 43 6.268 -11.944 -10.746 1.00 44.41 C ATOM 499 CG MET A 43 5.370 -12.534 -9.671 1.00 51.15 C ATOM 500 SD MET A 43 6.246 -12.841 -8.126 1.00 34.14 S ATOM 501 CE MET A 43 5.988 -14.603 -7.935 1.00 63.41 C ATOM 0 H MET A 43 7.961 -11.332 -12.432 1.00 12.30 H new ATOM 0 HA MET A 43 7.612 -13.618 -10.828 1.00 42.22 H new ATOM 0 HB2 MET A 43 6.967 -11.248 -10.282 1.00 44.41 H new ATOM 0 HB3 MET A 43 5.658 -11.367 -11.441 1.00 44.41 H new ATOM 0 HG2 MET A 43 4.539 -11.854 -9.484 1.00 51.15 H new ATOM 0 HG3 MET A 43 4.942 -13.469 -10.033 1.00 51.15 H new ATOM 0 HE1 MET A 43 6.473 -14.945 -7.020 1.00 63.41 H new ATOM 0 HE2 MET A 43 4.919 -14.810 -7.879 1.00 63.41 H new ATOM 0 HE3 MET A 43 6.415 -15.128 -8.790 1.00 63.41 H new ATOM 511 N LYS A 44 5.850 -13.517 -13.567 1.00 52.22 N ATOM 512 CA LYS A 44 4.953 -14.282 -14.426 1.00 2.34 C ATOM 513 C LYS A 44 5.741 -15.193 -15.361 1.00 44.55 C ATOM 514 O LYS A 44 5.169 -16.041 -16.047 1.00 5.34 O ATOM 515 CB LYS A 44 4.067 -13.338 -15.242 1.00 31.12 C ATOM 516 CG LYS A 44 3.468 -12.207 -14.424 1.00 43.32 C ATOM 517 CD LYS A 44 1.959 -12.141 -14.584 1.00 53.05 C ATOM 518 CE LYS A 44 1.285 -13.389 -14.035 1.00 21.01 C ATOM 519 NZ LYS A 44 0.539 -14.128 -15.091 1.00 42.42 N ATOM 0 H LYS A 44 6.256 -12.693 -14.010 1.00 52.22 H new ATOM 0 HA LYS A 44 4.322 -14.903 -13.790 1.00 2.34 H new ATOM 0 HB2 LYS A 44 4.655 -12.914 -16.056 1.00 31.12 H new ATOM 0 HB3 LYS A 44 3.260 -13.913 -15.697 1.00 31.12 H new ATOM 0 HG2 LYS A 44 3.717 -12.346 -13.372 1.00 43.32 H new ATOM 0 HG3 LYS A 44 3.909 -11.260 -14.734 1.00 43.32 H new ATOM 0 HD2 LYS A 44 1.575 -11.262 -14.067 1.00 53.05 H new ATOM 0 HD3 LYS A 44 1.709 -12.025 -15.638 1.00 53.05 H new ATOM 0 HE2 LYS A 44 2.037 -14.044 -13.596 1.00 21.01 H new ATOM 0 HE3 LYS A 44 0.600 -13.109 -13.235 1.00 21.01 H new ATOM 0 HZ1 LYS A 44 -0.482 -13.982 -14.961 1.00 42.42 H new ATOM 0 HZ2 LYS A 44 0.822 -13.775 -16.027 1.00 42.42 H new ATOM 0 HZ3 LYS A 44 0.755 -15.143 -15.023 1.00 42.42 H new ATOM 533 N LYS A 45 7.058 -15.013 -15.385 1.00 14.32 N ATOM 534 CA LYS A 45 7.926 -15.820 -16.234 1.00 53.41 C ATOM 535 C LYS A 45 7.558 -15.650 -17.705 1.00 4.11 C ATOM 536 O LYS A 45 7.738 -16.565 -18.510 1.00 13.03 O ATOM 537 CB LYS A 45 7.830 -17.295 -15.841 1.00 32.44 C ATOM 538 CG LYS A 45 8.137 -17.556 -14.376 1.00 41.41 C ATOM 539 CD LYS A 45 7.133 -18.514 -13.757 1.00 42.33 C ATOM 540 CE LYS A 45 5.947 -17.771 -13.163 1.00 12.43 C ATOM 541 NZ LYS A 45 4.691 -18.037 -13.917 1.00 52.32 N ATOM 0 H LYS A 45 7.547 -14.315 -14.825 1.00 14.32 H new ATOM 0 HA LYS A 45 8.951 -15.479 -16.092 1.00 53.41 H new ATOM 0 HB2 LYS A 45 6.826 -17.657 -16.063 1.00 32.44 H new ATOM 0 HB3 LYS A 45 8.520 -17.872 -16.457 1.00 32.44 H new ATOM 0 HG2 LYS A 45 9.141 -17.969 -14.282 1.00 41.41 H new ATOM 0 HG3 LYS A 45 8.128 -16.614 -13.828 1.00 41.41 H new ATOM 0 HD2 LYS A 45 6.782 -19.215 -14.515 1.00 42.33 H new ATOM 0 HD3 LYS A 45 7.621 -19.102 -12.980 1.00 42.33 H new ATOM 0 HE2 LYS A 45 5.816 -18.069 -12.123 1.00 12.43 H new ATOM 0 HE3 LYS A 45 6.152 -16.700 -13.165 1.00 12.43 H new ATOM 0 HZ1 LYS A 45 3.872 -17.810 -13.318 1.00 52.32 H new ATOM 0 HZ2 LYS A 45 4.668 -17.447 -14.773 1.00 52.32 H new ATOM 0 HZ3 LYS A 45 4.654 -19.041 -14.187 1.00 52.32 H new ATOM 555 N LEU A 46 7.045 -14.474 -18.050 1.00 22.22 N ATOM 556 CA LEU A 46 6.654 -14.184 -19.425 1.00 1.11 C ATOM 557 C LEU A 46 7.827 -13.614 -20.216 1.00 1.32 C ATOM 558 O LEU A 46 8.779 -13.069 -19.656 1.00 54.40 O ATOM 559 CB LEU A 46 5.483 -13.199 -19.446 1.00 24.50 C ATOM 560 CG LEU A 46 5.854 -11.716 -19.485 1.00 21.53 C ATOM 561 CD1 LEU A 46 5.809 -11.192 -20.912 1.00 24.24 C ATOM 562 CD2 LEU A 46 4.924 -10.911 -18.589 1.00 43.21 C ATOM 0 H LEU A 46 6.890 -13.706 -17.397 1.00 22.22 H new ATOM 0 HA LEU A 46 6.344 -15.118 -19.893 1.00 1.11 H new ATOM 0 HB2 LEU A 46 4.863 -13.421 -20.315 1.00 24.50 H new ATOM 0 HB3 LEU A 46 4.869 -13.376 -18.563 1.00 24.50 H new ATOM 0 HG LEU A 46 6.872 -11.605 -19.112 1.00 21.53 H new ATOM 0 HD11 LEU A 46 6.076 -10.135 -20.920 1.00 24.24 H new ATOM 0 HD12 LEU A 46 6.516 -11.749 -21.527 1.00 24.24 H new ATOM 0 HD13 LEU A 46 4.803 -11.315 -21.313 1.00 24.24 H new ATOM 0 HD21 LEU A 46 5.202 -9.858 -18.629 1.00 43.21 H new ATOM 0 HD22 LEU A 46 3.896 -11.028 -18.933 1.00 43.21 H new ATOM 0 HD23 LEU A 46 5.007 -11.270 -17.563 1.00 43.21 H new ATOM 574 N PRO A 47 7.759 -13.739 -21.549 1.00 72.25 N ATOM 575 CA PRO A 47 8.805 -13.240 -22.446 1.00 64.12 C ATOM 576 C PRO A 47 8.850 -11.717 -22.494 1.00 0.42 C ATOM 577 O PRO A 47 7.934 -11.060 -22.989 1.00 14.14 O ATOM 578 CB PRO A 47 8.403 -13.806 -23.810 1.00 64.14 C ATOM 579 CG PRO A 47 6.931 -14.011 -23.716 1.00 53.15 C ATOM 580 CD PRO A 47 6.654 -14.378 -22.285 1.00 2.33 C ATOM 0 HA PRO A 47 9.800 -13.543 -22.120 1.00 64.12 H new ATOM 0 HB2 PRO A 47 8.656 -13.116 -24.615 1.00 64.14 H new ATOM 0 HB3 PRO A 47 8.921 -14.742 -24.018 1.00 64.14 H new ATOM 0 HG2 PRO A 47 6.392 -13.106 -23.998 1.00 53.15 H new ATOM 0 HG3 PRO A 47 6.603 -14.801 -24.392 1.00 53.15 H new ATOM 0 HD2 PRO A 47 5.684 -14.006 -21.955 1.00 2.33 H new ATOM 0 HD3 PRO A 47 6.647 -15.458 -22.141 1.00 2.33 H new ATOM 588 N PRO A 48 9.940 -11.139 -21.968 1.00 45.02 N ATOM 589 CA PRO A 48 10.131 -9.686 -21.940 1.00 13.31 C ATOM 590 C PRO A 48 10.373 -9.106 -23.329 1.00 41.32 C ATOM 591 O PRO A 48 10.093 -7.933 -23.580 1.00 62.43 O ATOM 592 CB PRO A 48 11.372 -9.507 -21.062 1.00 70.51 C ATOM 593 CG PRO A 48 12.116 -10.791 -21.193 1.00 63.33 C ATOM 594 CD PRO A 48 11.072 -11.860 -21.361 1.00 70.15 C ATOM 0 HA PRO A 48 9.249 -9.167 -21.565 1.00 13.31 H new ATOM 0 HB2 PRO A 48 11.976 -8.664 -21.397 1.00 70.51 H new ATOM 0 HB3 PRO A 48 11.099 -9.312 -20.025 1.00 70.51 H new ATOM 0 HG2 PRO A 48 12.790 -10.766 -22.049 1.00 63.33 H new ATOM 0 HG3 PRO A 48 12.728 -10.979 -20.311 1.00 63.33 H new ATOM 0 HD2 PRO A 48 11.424 -12.668 -22.002 1.00 70.15 H new ATOM 0 HD3 PRO A 48 10.798 -12.307 -20.406 1.00 70.15 H new ATOM 602 N ASP A 49 10.894 -9.933 -24.228 1.00 62.40 N ATOM 603 CA ASP A 49 11.173 -9.503 -25.593 1.00 52.31 C ATOM 604 C ASP A 49 9.894 -9.052 -26.292 1.00 42.52 C ATOM 605 O ASP A 49 9.882 -8.042 -26.998 1.00 71.40 O ATOM 606 CB ASP A 49 11.829 -10.636 -26.384 1.00 52.52 C ATOM 607 CG ASP A 49 13.258 -10.893 -25.950 1.00 3.40 C ATOM 608 OD1 ASP A 49 13.458 -11.338 -24.801 1.00 32.13 O ATOM 609 OD2 ASP A 49 14.178 -10.648 -26.759 1.00 52.51 O ATOM 0 H ASP A 49 11.132 -10.906 -24.036 1.00 62.40 H new ATOM 0 HA ASP A 49 11.859 -8.657 -25.548 1.00 52.31 H new ATOM 0 HB2 ASP A 49 11.245 -11.548 -26.259 1.00 52.52 H new ATOM 0 HB3 ASP A 49 11.813 -10.390 -27.446 1.00 52.52 H new ATOM 614 N THR A 50 8.818 -9.807 -26.092 1.00 43.53 N ATOM 615 CA THR A 50 7.535 -9.486 -26.705 1.00 22.13 C ATOM 616 C THR A 50 6.488 -9.157 -25.647 1.00 71.30 C ATOM 617 O THR A 50 5.473 -9.844 -25.528 1.00 73.31 O ATOM 618 CB THR A 50 7.022 -10.649 -27.575 1.00 20.02 C ATOM 619 OG1 THR A 50 7.047 -11.869 -26.826 1.00 62.31 O ATOM 620 CG2 THR A 50 7.869 -10.801 -28.830 1.00 14.54 C ATOM 0 H THR A 50 8.810 -10.645 -25.510 1.00 43.53 H new ATOM 0 HA THR A 50 7.696 -8.613 -27.337 1.00 22.13 H new ATOM 0 HB THR A 50 5.997 -10.427 -27.872 1.00 20.02 H new ATOM 0 HG1 THR A 50 6.428 -11.801 -26.069 1.00 62.31 H new ATOM 0 HG21 THR A 50 7.488 -11.628 -29.428 1.00 14.54 H new ATOM 0 HG22 THR A 50 7.824 -9.881 -29.413 1.00 14.54 H new ATOM 0 HG23 THR A 50 8.903 -11.003 -28.549 1.00 14.54 H new ATOM 628 N THR A 51 6.740 -8.101 -24.879 1.00 72.35 N ATOM 629 CA THR A 51 5.819 -7.681 -23.831 1.00 33.50 C ATOM 630 C THR A 51 5.734 -6.162 -23.750 1.00 11.42 C ATOM 631 O THR A 51 6.722 -5.463 -23.975 1.00 10.52 O ATOM 632 CB THR A 51 6.242 -8.235 -22.457 1.00 53.20 C ATOM 633 OG1 THR A 51 5.126 -8.222 -21.559 1.00 43.32 O ATOM 634 CG2 THR A 51 7.381 -7.415 -21.871 1.00 12.53 C ATOM 0 H THR A 51 7.575 -7.521 -24.964 1.00 72.35 H new ATOM 0 HA THR A 51 4.840 -8.083 -24.091 1.00 33.50 H new ATOM 0 HB THR A 51 6.586 -9.260 -22.593 1.00 53.20 H new ATOM 0 HG1 THR A 51 5.389 -7.797 -20.716 1.00 43.32 H new ATOM 0 HG21 THR A 51 7.663 -7.825 -20.901 1.00 12.53 H new ATOM 0 HG22 THR A 51 8.238 -7.451 -22.543 1.00 12.53 H new ATOM 0 HG23 THR A 51 7.059 -6.381 -21.748 1.00 12.53 H new ATOM 642 N ARG A 52 4.548 -5.656 -23.427 1.00 21.25 N ATOM 643 CA ARG A 52 4.335 -4.218 -23.316 1.00 72.22 C ATOM 644 C ARG A 52 3.705 -3.864 -21.972 1.00 53.55 C ATOM 645 O ARG A 52 3.135 -4.721 -21.296 1.00 51.02 O ATOM 646 CB ARG A 52 3.442 -3.725 -24.456 1.00 42.43 C ATOM 647 CG ARG A 52 3.821 -4.290 -25.815 1.00 62.22 C ATOM 648 CD ARG A 52 3.613 -3.268 -26.922 1.00 31.22 C ATOM 649 NE ARG A 52 4.799 -2.444 -27.136 1.00 1.54 N ATOM 650 CZ ARG A 52 4.995 -1.706 -28.223 1.00 64.52 C ATOM 651 NH1 ARG A 52 4.089 -1.691 -29.190 1.00 75.13 N ATOM 652 NH2 ARG A 52 6.101 -0.982 -28.345 1.00 34.32 N ATOM 0 H ARG A 52 3.720 -6.221 -23.238 1.00 21.25 H new ATOM 0 HA ARG A 52 5.305 -3.725 -23.384 1.00 72.22 H new ATOM 0 HB2 ARG A 52 2.408 -3.991 -24.237 1.00 42.43 H new ATOM 0 HB3 ARG A 52 3.489 -2.637 -24.498 1.00 42.43 H new ATOM 0 HG2 ARG A 52 4.864 -4.605 -25.801 1.00 62.22 H new ATOM 0 HG3 ARG A 52 3.223 -5.178 -26.021 1.00 62.22 H new ATOM 0 HD2 ARG A 52 3.358 -3.783 -27.848 1.00 31.22 H new ATOM 0 HD3 ARG A 52 2.767 -2.628 -26.670 1.00 31.22 H new ATOM 0 HE ARG A 52 5.516 -2.434 -26.411 1.00 1.54 H new ATOM 0 HH11 ARG A 52 3.239 -2.247 -29.101 1.00 75.13 H new ATOM 0 HH12 ARG A 52 4.242 -1.123 -30.024 1.00 75.13 H new ATOM 0 HH21 ARG A 52 6.801 -0.992 -27.604 1.00 34.32 H new ATOM 0 HH22 ARG A 52 6.250 -0.416 -29.180 1.00 34.32 H new ATOM 666 N LEU A 53 3.811 -2.595 -21.591 1.00 64.54 N ATOM 667 CA LEU A 53 3.253 -2.127 -20.328 1.00 14.30 C ATOM 668 C LEU A 53 2.652 -0.733 -20.482 1.00 74.21 C ATOM 669 O LEU A 53 3.340 0.214 -20.864 1.00 63.43 O ATOM 670 CB LEU A 53 4.332 -2.112 -19.244 1.00 41.04 C ATOM 671 CG LEU A 53 4.025 -1.274 -18.002 1.00 62.45 C ATOM 672 CD1 LEU A 53 2.676 -1.662 -17.417 1.00 24.51 C ATOM 673 CD2 LEU A 53 5.126 -1.437 -16.964 1.00 50.43 C ATOM 0 H LEU A 53 4.278 -1.873 -22.139 1.00 64.54 H new ATOM 0 HA LEU A 53 2.460 -2.815 -20.033 1.00 14.30 H new ATOM 0 HB2 LEU A 53 4.516 -3.139 -18.928 1.00 41.04 H new ATOM 0 HB3 LEU A 53 5.258 -1.744 -19.686 1.00 41.04 H new ATOM 0 HG LEU A 53 3.982 -0.225 -18.295 1.00 62.45 H new ATOM 0 HD11 LEU A 53 2.474 -1.056 -16.534 1.00 24.51 H new ATOM 0 HD12 LEU A 53 1.896 -1.493 -18.159 1.00 24.51 H new ATOM 0 HD13 LEU A 53 2.690 -2.716 -17.138 1.00 24.51 H new ATOM 0 HD21 LEU A 53 4.891 -0.834 -16.087 1.00 50.43 H new ATOM 0 HD22 LEU A 53 5.201 -2.485 -16.674 1.00 50.43 H new ATOM 0 HD23 LEU A 53 6.076 -1.109 -17.386 1.00 50.43 H new ATOM 685 N THR A 54 1.362 -0.613 -20.180 1.00 64.51 N ATOM 686 CA THR A 54 0.669 0.664 -20.284 1.00 34.02 C ATOM 687 C THR A 54 -0.052 1.005 -18.985 1.00 2.55 C ATOM 688 O THR A 54 -0.731 0.161 -18.400 1.00 11.43 O ATOM 689 CB THR A 54 -0.353 0.657 -21.437 1.00 65.40 C ATOM 690 OG1 THR A 54 -1.260 -0.440 -21.281 1.00 64.43 O ATOM 691 CG2 THR A 54 0.351 0.553 -22.782 1.00 32.31 C ATOM 0 H THR A 54 0.777 -1.386 -19.861 1.00 64.51 H new ATOM 0 HA THR A 54 1.428 1.420 -20.485 1.00 34.02 H new ATOM 0 HB THR A 54 -0.909 1.594 -21.407 1.00 65.40 H new ATOM 0 HG1 THR A 54 -1.907 -0.436 -22.017 1.00 64.43 H new ATOM 0 HG21 THR A 54 -0.390 0.550 -23.581 1.00 32.31 H new ATOM 0 HG22 THR A 54 1.019 1.405 -22.910 1.00 32.31 H new ATOM 0 HG23 THR A 54 0.929 -0.370 -22.820 1.00 32.31 H new ATOM 699 N TYR A 55 0.100 2.247 -18.538 1.00 42.32 N ATOM 700 CA TYR A 55 -0.535 2.700 -17.306 1.00 70.23 C ATOM 701 C TYR A 55 -1.383 3.943 -17.556 1.00 13.15 C ATOM 702 O TYR A 55 -0.910 4.929 -18.121 1.00 14.55 O ATOM 703 CB TYR A 55 0.522 2.995 -16.241 1.00 44.43 C ATOM 704 CG TYR A 55 -0.034 3.665 -15.005 1.00 61.00 C ATOM 705 CD1 TYR A 55 -0.887 2.983 -14.146 1.00 2.42 C ATOM 706 CD2 TYR A 55 0.294 4.979 -14.696 1.00 4.32 C ATOM 707 CE1 TYR A 55 -1.398 3.592 -13.016 1.00 21.43 C ATOM 708 CE2 TYR A 55 -0.211 5.595 -13.567 1.00 42.10 C ATOM 709 CZ TYR A 55 -1.057 4.897 -12.731 1.00 1.35 C ATOM 710 OH TYR A 55 -1.563 5.506 -11.605 1.00 2.30 O ATOM 0 H TYR A 55 0.658 2.958 -19.011 1.00 42.32 H new ATOM 0 HA TYR A 55 -1.187 1.903 -16.949 1.00 70.23 H new ATOM 0 HB2 TYR A 55 1.005 2.061 -15.952 1.00 44.43 H new ATOM 0 HB3 TYR A 55 1.293 3.632 -16.673 1.00 44.43 H new ATOM 0 HD1 TYR A 55 -1.155 1.960 -14.365 1.00 2.42 H new ATOM 0 HD2 TYR A 55 0.955 5.529 -15.350 1.00 4.32 H new ATOM 0 HE1 TYR A 55 -2.061 3.048 -12.359 1.00 21.43 H new ATOM 0 HE2 TYR A 55 0.055 6.617 -13.341 1.00 42.10 H new ATOM 0 HH TYR A 55 -1.225 6.424 -11.549 1.00 2.30 H new ATOM 720 N LYS A 56 -2.641 3.889 -17.129 1.00 64.41 N ATOM 721 CA LYS A 56 -3.557 5.009 -17.303 1.00 12.23 C ATOM 722 C LYS A 56 -3.651 5.413 -18.771 1.00 4.34 C ATOM 723 O LYS A 56 -3.822 6.589 -19.091 1.00 74.51 O ATOM 724 CB LYS A 56 -3.100 6.203 -16.462 1.00 52.50 C ATOM 725 CG LYS A 56 -3.458 6.084 -14.991 1.00 22.03 C ATOM 726 CD LYS A 56 -4.794 6.741 -14.686 1.00 63.24 C ATOM 727 CE LYS A 56 -5.893 5.707 -14.498 1.00 31.23 C ATOM 728 NZ LYS A 56 -7.247 6.292 -14.704 1.00 43.25 N ATOM 0 H LYS A 56 -3.049 3.080 -16.660 1.00 64.41 H new ATOM 0 HA LYS A 56 -4.545 4.693 -16.968 1.00 12.23 H new ATOM 0 HB2 LYS A 56 -2.019 6.311 -16.557 1.00 52.50 H new ATOM 0 HB3 LYS A 56 -3.548 7.112 -16.864 1.00 52.50 H new ATOM 0 HG2 LYS A 56 -3.496 5.032 -14.709 1.00 22.03 H new ATOM 0 HG3 LYS A 56 -2.678 6.547 -14.387 1.00 22.03 H new ATOM 0 HD2 LYS A 56 -4.705 7.347 -13.785 1.00 63.24 H new ATOM 0 HD3 LYS A 56 -5.063 7.416 -15.499 1.00 63.24 H new ATOM 0 HE2 LYS A 56 -5.742 4.885 -15.198 1.00 31.23 H new ATOM 0 HE3 LYS A 56 -5.828 5.286 -13.494 1.00 31.23 H new ATOM 0 HZ1 LYS A 56 -7.968 5.555 -14.567 1.00 43.25 H new ATOM 0 HZ2 LYS A 56 -7.402 7.059 -14.019 1.00 43.25 H new ATOM 0 HZ3 LYS A 56 -7.318 6.671 -15.670 1.00 43.25 H new ATOM 742 N GLY A 57 -3.537 4.430 -19.659 1.00 15.41 N ATOM 743 CA GLY A 57 -3.613 4.704 -21.082 1.00 52.40 C ATOM 744 C GLY A 57 -2.376 5.407 -21.604 1.00 3.22 C ATOM 745 O GLY A 57 -2.366 5.910 -22.728 1.00 34.43 O ATOM 0 H GLY A 57 -3.393 3.449 -19.418 1.00 15.41 H new ATOM 0 HA2 GLY A 57 -3.750 3.767 -21.622 1.00 52.40 H new ATOM 0 HA3 GLY A 57 -4.489 5.320 -21.284 1.00 52.40 H new ATOM 749 N ARG A 58 -1.329 5.445 -20.786 1.00 30.44 N ATOM 750 CA ARG A 58 -0.082 6.094 -21.170 1.00 24.11 C ATOM 751 C ARG A 58 1.097 5.136 -21.026 1.00 21.44 C ATOM 752 O ARG A 58 1.049 4.191 -20.238 1.00 41.13 O ATOM 753 CB ARG A 58 0.153 7.341 -20.315 1.00 65.24 C ATOM 754 CG ARG A 58 0.365 8.606 -21.130 1.00 12.50 C ATOM 755 CD ARG A 58 0.880 9.746 -20.265 1.00 15.31 C ATOM 756 NE ARG A 58 0.937 11.008 -20.999 1.00 23.51 N ATOM 757 CZ ARG A 58 1.136 12.186 -20.420 1.00 13.51 C ATOM 758 NH1 ARG A 58 1.295 12.265 -19.106 1.00 30.11 N ATOM 759 NH2 ARG A 58 1.176 13.290 -21.156 1.00 14.05 N ATOM 0 H ARG A 58 -1.320 5.034 -19.853 1.00 30.44 H new ATOM 0 HA ARG A 58 -0.162 6.389 -22.216 1.00 24.11 H new ATOM 0 HB2 ARG A 58 -0.701 7.484 -19.653 1.00 65.24 H new ATOM 0 HB3 ARG A 58 1.024 7.177 -19.680 1.00 65.24 H new ATOM 0 HG2 ARG A 58 1.075 8.408 -21.933 1.00 12.50 H new ATOM 0 HG3 ARG A 58 -0.574 8.899 -21.599 1.00 12.50 H new ATOM 0 HD2 ARG A 58 0.233 9.862 -19.395 1.00 15.31 H new ATOM 0 HD3 ARG A 58 1.874 9.498 -19.893 1.00 15.31 H new ATOM 0 HE ARG A 58 0.817 10.983 -22.012 1.00 23.51 H new ATOM 0 HH11 ARG A 58 1.265 11.419 -18.537 1.00 30.11 H new ATOM 0 HH12 ARG A 58 1.448 13.172 -18.664 1.00 30.11 H new ATOM 0 HH21 ARG A 58 1.054 13.234 -22.167 1.00 14.05 H new ATOM 0 HH22 ARG A 58 1.329 14.195 -20.710 1.00 14.05 H new ATOM 773 N ALA A 59 2.154 5.386 -21.792 1.00 32.02 N ATOM 774 CA ALA A 59 3.345 4.547 -21.748 1.00 71.13 C ATOM 775 C ALA A 59 4.468 5.228 -20.974 1.00 44.45 C ATOM 776 O ALA A 59 4.851 6.358 -21.281 1.00 52.41 O ATOM 777 CB ALA A 59 3.803 4.208 -23.159 1.00 22.42 C ATOM 0 H ALA A 59 2.210 6.163 -22.451 1.00 32.02 H new ATOM 0 HA ALA A 59 3.090 3.623 -21.228 1.00 71.13 H new ATOM 0 HB1 ALA A 59 4.693 3.581 -23.112 1.00 22.42 H new ATOM 0 HB2 ALA A 59 3.009 3.673 -23.680 1.00 22.42 H new ATOM 0 HB3 ALA A 59 4.035 5.127 -23.697 1.00 22.42 H new ATOM 783 N LEU A 60 4.993 4.535 -19.970 1.00 44.40 N ATOM 784 CA LEU A 60 6.074 5.074 -19.151 1.00 53.31 C ATOM 785 C LEU A 60 7.315 4.191 -19.237 1.00 15.41 C ATOM 786 O LEU A 60 7.217 2.985 -19.464 1.00 43.35 O ATOM 787 CB LEU A 60 5.623 5.199 -17.695 1.00 15.32 C ATOM 788 CG LEU A 60 4.447 6.141 -17.435 1.00 15.40 C ATOM 789 CD1 LEU A 60 3.160 5.351 -17.250 1.00 43.33 C ATOM 790 CD2 LEU A 60 4.719 7.012 -16.217 1.00 25.10 C ATOM 0 H LEU A 60 4.688 3.599 -19.703 1.00 44.40 H new ATOM 0 HA LEU A 60 6.328 6.063 -19.533 1.00 53.31 H new ATOM 0 HB2 LEU A 60 5.355 4.207 -17.332 1.00 15.32 H new ATOM 0 HB3 LEU A 60 6.472 5.537 -17.100 1.00 15.32 H new ATOM 0 HG LEU A 60 4.329 6.791 -18.302 1.00 15.40 H new ATOM 0 HD11 LEU A 60 2.334 6.038 -17.066 1.00 43.33 H new ATOM 0 HD12 LEU A 60 2.956 4.772 -18.150 1.00 43.33 H new ATOM 0 HD13 LEU A 60 3.266 4.676 -16.401 1.00 43.33 H new ATOM 0 HD21 LEU A 60 3.871 7.676 -16.048 1.00 25.10 H new ATOM 0 HD22 LEU A 60 4.864 6.379 -15.342 1.00 25.10 H new ATOM 0 HD23 LEU A 60 5.617 7.606 -16.388 1.00 25.10 H new ATOM 802 N LYS A 61 8.481 4.800 -19.051 1.00 61.33 N ATOM 803 CA LYS A 61 9.742 4.070 -19.104 1.00 22.41 C ATOM 804 C LYS A 61 10.863 4.872 -18.452 1.00 3.51 C ATOM 805 O LYS A 61 11.272 4.585 -17.327 1.00 12.34 O ATOM 806 CB LYS A 61 10.108 3.747 -20.554 1.00 44.34 C ATOM 807 CG LYS A 61 9.399 4.626 -21.570 1.00 60.45 C ATOM 808 CD LYS A 61 9.854 4.318 -22.987 1.00 50.43 C ATOM 809 CE LYS A 61 9.137 3.101 -23.551 1.00 51.44 C ATOM 810 NZ LYS A 61 9.104 3.118 -25.040 1.00 75.11 N ATOM 0 H LYS A 61 8.579 5.798 -18.862 1.00 61.33 H new ATOM 0 HA LYS A 61 9.617 3.139 -18.552 1.00 22.41 H new ATOM 0 HB2 LYS A 61 11.185 3.855 -20.681 1.00 44.34 H new ATOM 0 HB3 LYS A 61 9.867 2.704 -20.757 1.00 44.34 H new ATOM 0 HG2 LYS A 61 8.322 4.478 -21.492 1.00 60.45 H new ATOM 0 HG3 LYS A 61 9.593 5.674 -21.344 1.00 60.45 H new ATOM 0 HD2 LYS A 61 9.666 5.181 -23.626 1.00 50.43 H new ATOM 0 HD3 LYS A 61 10.930 4.144 -22.995 1.00 50.43 H new ATOM 0 HE2 LYS A 61 9.636 2.194 -23.209 1.00 51.44 H new ATOM 0 HE3 LYS A 61 8.118 3.069 -23.165 1.00 51.44 H new ATOM 0 HZ1 LYS A 61 8.607 2.272 -25.386 1.00 75.11 H new ATOM 0 HZ2 LYS A 61 8.605 3.970 -25.366 1.00 75.11 H new ATOM 0 HZ3 LYS A 61 10.076 3.123 -25.409 1.00 75.11 H new ATOM 824 N ASP A 62 11.355 5.880 -19.165 1.00 23.42 N ATOM 825 CA ASP A 62 12.428 6.726 -18.654 1.00 74.21 C ATOM 826 C ASP A 62 11.897 7.706 -17.612 1.00 60.14 C ATOM 827 O ASP A 62 12.663 8.439 -16.986 1.00 22.20 O ATOM 828 CB ASP A 62 13.092 7.490 -19.800 1.00 4.42 C ATOM 829 CG ASP A 62 14.557 7.132 -19.962 1.00 75.03 C ATOM 830 OD1 ASP A 62 14.852 6.157 -20.684 1.00 54.04 O ATOM 831 OD2 ASP A 62 15.407 7.826 -19.367 1.00 23.14 O ATOM 0 H ASP A 62 11.028 6.131 -20.098 1.00 23.42 H new ATOM 0 HA ASP A 62 13.169 6.084 -18.178 1.00 74.21 H new ATOM 0 HB2 ASP A 62 12.564 7.277 -20.729 1.00 4.42 H new ATOM 0 HB3 ASP A 62 13.000 8.561 -19.620 1.00 4.42 H new ATOM 836 N THR A 63 10.580 7.715 -17.432 1.00 72.14 N ATOM 837 CA THR A 63 9.946 8.606 -16.469 1.00 2.11 C ATOM 838 C THR A 63 10.479 8.363 -15.062 1.00 30.55 C ATOM 839 O THR A 63 10.351 9.216 -14.184 1.00 63.40 O ATOM 840 CB THR A 63 8.416 8.431 -16.464 1.00 12.04 C ATOM 841 OG1 THR A 63 8.034 7.428 -17.411 1.00 62.23 O ATOM 842 CG2 THR A 63 7.720 9.742 -16.797 1.00 40.03 C ATOM 0 H THR A 63 9.931 7.115 -17.941 1.00 72.14 H new ATOM 0 HA THR A 63 10.186 9.624 -16.775 1.00 2.11 H new ATOM 0 HB THR A 63 8.112 8.120 -15.465 1.00 12.04 H new ATOM 0 HG1 THR A 63 7.217 7.709 -17.874 1.00 62.23 H new ATOM 0 HG21 THR A 63 6.640 9.593 -16.787 1.00 40.03 H new ATOM 0 HG22 THR A 63 7.989 10.495 -16.056 1.00 40.03 H new ATOM 0 HG23 THR A 63 8.031 10.078 -17.786 1.00 40.03 H new ATOM 850 N GLU A 64 11.077 7.193 -14.854 1.00 51.41 N ATOM 851 CA GLU A 64 11.629 6.839 -13.552 1.00 31.02 C ATOM 852 C GLU A 64 10.523 6.718 -12.507 1.00 64.50 C ATOM 853 O GLU A 64 10.074 5.617 -12.186 1.00 23.33 O ATOM 854 CB GLU A 64 12.654 7.884 -13.106 1.00 63.33 C ATOM 855 CG GLU A 64 14.095 7.428 -13.263 1.00 62.12 C ATOM 856 CD GLU A 64 15.085 8.571 -13.147 1.00 13.00 C ATOM 857 OE1 GLU A 64 15.402 8.968 -12.007 1.00 1.25 O ATOM 858 OE2 GLU A 64 15.542 9.068 -14.198 1.00 13.24 O ATOM 0 H GLU A 64 11.191 6.476 -15.570 1.00 51.41 H new ATOM 0 HA GLU A 64 12.124 5.872 -13.647 1.00 31.02 H new ATOM 0 HB2 GLU A 64 12.505 8.796 -13.684 1.00 63.33 H new ATOM 0 HB3 GLU A 64 12.473 8.135 -12.061 1.00 63.33 H new ATOM 0 HG2 GLU A 64 14.320 6.679 -12.504 1.00 62.12 H new ATOM 0 HG3 GLU A 64 14.216 6.945 -14.233 1.00 62.12 H new ATOM 865 N THR A 65 10.088 7.857 -11.979 1.00 5.52 N ATOM 866 CA THR A 65 9.038 7.880 -10.969 1.00 55.14 C ATOM 867 C THR A 65 7.684 8.203 -11.592 1.00 1.10 C ATOM 868 O THR A 65 7.610 8.726 -12.705 1.00 31.21 O ATOM 869 CB THR A 65 9.341 8.911 -9.865 1.00 60.44 C ATOM 870 OG1 THR A 65 9.128 10.237 -10.361 1.00 73.12 O ATOM 871 CG2 THR A 65 10.774 8.772 -9.375 1.00 22.44 C ATOM 0 H THR A 65 10.447 8.777 -12.234 1.00 5.52 H new ATOM 0 HA THR A 65 9.004 6.885 -10.526 1.00 55.14 H new ATOM 0 HB THR A 65 8.667 8.724 -9.029 1.00 60.44 H new ATOM 0 HG1 THR A 65 9.321 10.886 -9.653 1.00 73.12 H new ATOM 0 HG21 THR A 65 10.965 9.510 -8.596 1.00 22.44 H new ATOM 0 HG22 THR A 65 10.925 7.771 -8.971 1.00 22.44 H new ATOM 0 HG23 THR A 65 11.460 8.936 -10.206 1.00 22.44 H new ATOM 879 N LEU A 66 6.615 7.890 -10.868 1.00 23.20 N ATOM 880 CA LEU A 66 5.263 8.148 -11.349 1.00 74.34 C ATOM 881 C LEU A 66 4.521 9.092 -10.409 1.00 53.21 C ATOM 882 O LEU A 66 3.435 9.575 -10.729 1.00 42.22 O ATOM 883 CB LEU A 66 4.490 6.835 -11.486 1.00 73.30 C ATOM 884 CG LEU A 66 3.848 6.572 -12.849 1.00 43.20 C ATOM 885 CD1 LEU A 66 3.637 5.081 -13.061 1.00 52.21 C ATOM 886 CD2 LEU A 66 2.530 7.322 -12.971 1.00 50.45 C ATOM 0 H LEU A 66 6.659 7.457 -9.945 1.00 23.20 H new ATOM 0 HA LEU A 66 5.337 8.623 -12.327 1.00 74.34 H new ATOM 0 HB2 LEU A 66 5.169 6.012 -11.262 1.00 73.30 H new ATOM 0 HB3 LEU A 66 3.707 6.817 -10.728 1.00 73.30 H new ATOM 0 HG LEU A 66 4.523 6.936 -13.624 1.00 43.20 H new ATOM 0 HD11 LEU A 66 3.179 4.913 -14.036 1.00 52.21 H new ATOM 0 HD12 LEU A 66 4.598 4.568 -13.018 1.00 52.21 H new ATOM 0 HD13 LEU A 66 2.983 4.692 -12.281 1.00 52.21 H new ATOM 0 HD21 LEU A 66 2.087 7.123 -13.947 1.00 50.45 H new ATOM 0 HD22 LEU A 66 1.848 6.989 -12.189 1.00 50.45 H new ATOM 0 HD23 LEU A 66 2.709 8.392 -12.865 1.00 50.45 H new ATOM 898 N GLU A 67 5.116 9.352 -9.249 1.00 53.21 N ATOM 899 CA GLU A 67 4.511 10.240 -8.263 1.00 50.54 C ATOM 900 C GLU A 67 4.269 11.626 -8.856 1.00 30.15 C ATOM 901 O GLU A 67 3.282 12.287 -8.532 1.00 42.14 O ATOM 902 CB GLU A 67 5.406 10.351 -7.027 1.00 52.41 C ATOM 903 CG GLU A 67 4.815 11.213 -5.924 1.00 4.22 C ATOM 904 CD GLU A 67 5.717 11.303 -4.708 1.00 30.42 C ATOM 905 OE1 GLU A 67 6.801 10.683 -4.725 1.00 73.32 O ATOM 906 OE2 GLU A 67 5.338 11.993 -3.739 1.00 0.24 O ATOM 0 H GLU A 67 6.015 8.961 -8.969 1.00 53.21 H new ATOM 0 HA GLU A 67 3.551 9.816 -7.970 1.00 50.54 H new ATOM 0 HB2 GLU A 67 5.595 9.352 -6.634 1.00 52.41 H new ATOM 0 HB3 GLU A 67 6.370 10.764 -7.323 1.00 52.41 H new ATOM 0 HG2 GLU A 67 4.631 12.215 -6.310 1.00 4.22 H new ATOM 0 HG3 GLU A 67 3.849 10.804 -5.626 1.00 4.22 H new ATOM 913 N SER A 68 5.177 12.059 -9.724 1.00 24.12 N ATOM 914 CA SER A 68 5.066 13.367 -10.358 1.00 40.13 C ATOM 915 C SER A 68 3.824 13.439 -11.241 1.00 73.30 C ATOM 916 O SER A 68 3.355 14.524 -11.587 1.00 45.14 O ATOM 917 CB SER A 68 6.315 13.661 -11.191 1.00 41.52 C ATOM 918 OG SER A 68 6.967 14.834 -10.736 1.00 10.42 O ATOM 0 H SER A 68 5.998 11.523 -10.004 1.00 24.12 H new ATOM 0 HA SER A 68 4.976 14.118 -9.573 1.00 40.13 H new ATOM 0 HB2 SER A 68 7.000 12.815 -11.135 1.00 41.52 H new ATOM 0 HB3 SER A 68 6.038 13.778 -12.239 1.00 41.52 H new ATOM 0 HG SER A 68 7.763 14.999 -11.283 1.00 10.42 H new ATOM 924 N LEU A 69 3.294 12.275 -11.602 1.00 24.12 N ATOM 925 CA LEU A 69 2.106 12.203 -12.445 1.00 12.54 C ATOM 926 C LEU A 69 0.856 11.962 -11.604 1.00 61.11 C ATOM 927 O LEU A 69 -0.266 12.128 -12.080 1.00 72.41 O ATOM 928 CB LEU A 69 2.259 11.091 -13.483 1.00 31.30 C ATOM 929 CG LEU A 69 3.674 10.858 -14.014 1.00 11.11 C ATOM 930 CD1 LEU A 69 3.662 9.829 -15.133 1.00 75.14 C ATOM 931 CD2 LEU A 69 4.284 12.166 -14.496 1.00 43.10 C ATOM 0 H LEU A 69 3.669 11.368 -11.324 1.00 24.12 H new ATOM 0 HA LEU A 69 1.997 13.158 -12.959 1.00 12.54 H new ATOM 0 HB2 LEU A 69 1.899 10.160 -13.044 1.00 31.30 H new ATOM 0 HB3 LEU A 69 1.608 11.318 -14.328 1.00 31.30 H new ATOM 0 HG LEU A 69 4.288 10.472 -13.200 1.00 11.11 H new ATOM 0 HD11 LEU A 69 4.678 9.677 -15.498 1.00 75.14 H new ATOM 0 HD12 LEU A 69 3.267 8.886 -14.756 1.00 75.14 H new ATOM 0 HD13 LEU A 69 3.033 10.186 -15.949 1.00 75.14 H new ATOM 0 HD21 LEU A 69 5.291 11.982 -14.871 1.00 43.10 H new ATOM 0 HD22 LEU A 69 3.670 12.581 -15.295 1.00 43.10 H new ATOM 0 HD23 LEU A 69 4.329 12.874 -13.668 1.00 43.10 H new ATOM 943 N GLY A 70 1.059 11.571 -10.350 1.00 21.25 N ATOM 944 CA GLY A 70 -0.060 11.315 -9.462 1.00 31.11 C ATOM 945 C GLY A 70 -0.236 9.840 -9.161 1.00 23.24 C ATOM 946 O GLY A 70 -1.009 9.150 -9.826 1.00 44.42 O ATOM 0 H GLY A 70 1.979 11.427 -9.933 1.00 21.25 H new ATOM 0 HA2 GLY A 70 0.089 11.858 -8.529 1.00 31.11 H new ATOM 0 HA3 GLY A 70 -0.974 11.702 -9.913 1.00 31.11 H new ATOM 950 N VAL A 71 0.485 9.353 -8.155 1.00 72.23 N ATOM 951 CA VAL A 71 0.406 7.950 -7.767 1.00 74.54 C ATOM 952 C VAL A 71 -0.652 7.736 -6.691 1.00 31.15 C ATOM 953 O VAL A 71 -0.811 8.559 -5.790 1.00 41.40 O ATOM 954 CB VAL A 71 1.761 7.433 -7.250 1.00 22.02 C ATOM 955 CG1 VAL A 71 2.778 7.376 -8.380 1.00 11.24 C ATOM 956 CG2 VAL A 71 2.265 8.308 -6.112 1.00 32.33 C ATOM 0 H VAL A 71 1.130 9.910 -7.594 1.00 72.23 H new ATOM 0 HA VAL A 71 0.129 7.390 -8.660 1.00 74.54 H new ATOM 0 HB VAL A 71 1.622 6.422 -6.867 1.00 22.02 H new ATOM 0 HG11 VAL A 71 3.729 7.008 -7.995 1.00 11.24 H new ATOM 0 HG12 VAL A 71 2.418 6.705 -9.160 1.00 11.24 H new ATOM 0 HG13 VAL A 71 2.916 8.374 -8.796 1.00 11.24 H new ATOM 0 HG21 VAL A 71 3.224 7.929 -5.758 1.00 32.33 H new ATOM 0 HG22 VAL A 71 2.388 9.331 -6.467 1.00 32.33 H new ATOM 0 HG23 VAL A 71 1.545 8.292 -5.294 1.00 32.33 H new ATOM 966 N ALA A 72 -1.373 6.624 -6.790 1.00 14.03 N ATOM 967 CA ALA A 72 -2.415 6.300 -5.823 1.00 2.24 C ATOM 968 C ALA A 72 -2.448 4.804 -5.532 1.00 23.34 C ATOM 969 O ALA A 72 -2.159 3.985 -6.405 1.00 54.40 O ATOM 970 CB ALA A 72 -3.770 6.771 -6.329 1.00 11.42 C ATOM 0 H ALA A 72 -1.255 5.932 -7.530 1.00 14.03 H new ATOM 0 HA ALA A 72 -2.186 6.820 -4.892 1.00 2.24 H new ATOM 0 HB1 ALA A 72 -4.538 6.522 -5.597 1.00 11.42 H new ATOM 0 HB2 ALA A 72 -3.747 7.850 -6.479 1.00 11.42 H new ATOM 0 HB3 ALA A 72 -3.997 6.278 -7.274 1.00 11.42 H new ATOM 976 N ASP A 73 -2.800 4.453 -4.300 1.00 1.03 N ATOM 977 CA ASP A 73 -2.871 3.054 -3.894 1.00 3.13 C ATOM 978 C ASP A 73 -3.933 2.309 -4.696 1.00 23.42 C ATOM 979 O ASP A 73 -5.100 2.697 -4.711 1.00 31.53 O ATOM 980 CB ASP A 73 -3.176 2.950 -2.399 1.00 32.33 C ATOM 981 CG ASP A 73 -4.554 3.478 -2.051 1.00 72.41 C ATOM 982 OD1 ASP A 73 -4.768 4.702 -2.170 1.00 11.52 O ATOM 983 OD2 ASP A 73 -5.419 2.666 -1.661 1.00 71.12 O ATOM 0 H ASP A 73 -3.041 5.118 -3.565 1.00 1.03 H new ATOM 0 HA ASP A 73 -1.903 2.594 -4.092 1.00 3.13 H new ATOM 0 HB2 ASP A 73 -3.100 1.908 -2.087 1.00 32.33 H new ATOM 0 HB3 ASP A 73 -2.425 3.506 -1.838 1.00 32.33 H new ATOM 988 N GLY A 74 -3.518 1.236 -5.363 1.00 75.24 N ATOM 989 CA GLY A 74 -4.446 0.454 -6.160 1.00 20.33 C ATOM 990 C GLY A 74 -4.221 0.627 -7.649 1.00 10.23 C ATOM 991 O GLY A 74 -5.090 0.300 -8.457 1.00 12.21 O ATOM 0 H GLY A 74 -2.557 0.895 -5.366 1.00 75.24 H new ATOM 0 HA2 GLY A 74 -4.344 -0.600 -5.900 1.00 20.33 H new ATOM 0 HA3 GLY A 74 -5.467 0.746 -5.914 1.00 20.33 H new ATOM 995 N ASP A 75 -3.053 1.144 -8.012 1.00 43.34 N ATOM 996 CA ASP A 75 -2.716 1.362 -9.415 1.00 31.54 C ATOM 997 C ASP A 75 -2.718 0.044 -10.184 1.00 40.43 C ATOM 998 O ASP A 75 -2.028 -0.905 -9.813 1.00 63.23 O ATOM 999 CB ASP A 75 -1.348 2.035 -9.534 1.00 61.44 C ATOM 1000 CG ASP A 75 -1.404 3.518 -9.228 1.00 42.32 C ATOM 1001 OD1 ASP A 75 -2.521 4.042 -9.036 1.00 3.31 O ATOM 1002 OD2 ASP A 75 -0.331 4.156 -9.182 1.00 23.22 O ATOM 0 H ASP A 75 -2.323 1.420 -7.355 1.00 43.34 H new ATOM 0 HA ASP A 75 -3.472 2.016 -9.849 1.00 31.54 H new ATOM 0 HB2 ASP A 75 -0.648 1.552 -8.852 1.00 61.44 H new ATOM 0 HB3 ASP A 75 -0.961 1.889 -10.543 1.00 61.44 H new ATOM 1007 N LYS A 76 -3.499 -0.006 -11.258 1.00 33.52 N ATOM 1008 CA LYS A 76 -3.592 -1.206 -12.081 1.00 31.40 C ATOM 1009 C LYS A 76 -2.875 -1.009 -13.413 1.00 23.44 C ATOM 1010 O LYS A 76 -3.107 -0.025 -14.115 1.00 32.22 O ATOM 1011 CB LYS A 76 -5.058 -1.568 -12.328 1.00 74.11 C ATOM 1012 CG LYS A 76 -5.563 -2.697 -11.447 1.00 32.33 C ATOM 1013 CD LYS A 76 -7.047 -2.949 -11.658 1.00 64.54 C ATOM 1014 CE LYS A 76 -7.884 -2.295 -10.570 1.00 70.31 C ATOM 1015 NZ LYS A 76 -8.511 -3.304 -9.672 1.00 13.45 N ATOM 0 H LYS A 76 -4.077 0.771 -11.579 1.00 33.52 H new ATOM 0 HA LYS A 76 -3.108 -2.022 -11.545 1.00 31.40 H new ATOM 0 HB2 LYS A 76 -5.675 -0.685 -12.161 1.00 74.11 H new ATOM 0 HB3 LYS A 76 -5.182 -1.851 -13.373 1.00 74.11 H new ATOM 0 HG2 LYS A 76 -5.004 -3.607 -11.665 1.00 32.33 H new ATOM 0 HG3 LYS A 76 -5.380 -2.453 -10.401 1.00 32.33 H new ATOM 0 HD2 LYS A 76 -7.348 -2.562 -12.632 1.00 64.54 H new ATOM 0 HD3 LYS A 76 -7.237 -4.022 -11.669 1.00 64.54 H new ATOM 0 HE2 LYS A 76 -7.256 -1.625 -9.982 1.00 70.31 H new ATOM 0 HE3 LYS A 76 -8.661 -1.683 -11.028 1.00 70.31 H new ATOM 0 HZ1 LYS A 76 -9.073 -2.819 -8.944 1.00 13.45 H new ATOM 0 HZ2 LYS A 76 -9.130 -3.927 -10.229 1.00 13.45 H new ATOM 0 HZ3 LYS A 76 -7.769 -3.871 -9.215 1.00 13.45 H new ATOM 1029 N PHE A 77 -2.003 -1.952 -13.755 1.00 60.30 N ATOM 1030 CA PHE A 77 -1.252 -1.882 -15.003 1.00 71.31 C ATOM 1031 C PHE A 77 -1.691 -2.983 -15.965 1.00 15.34 C ATOM 1032 O PHE A 77 -2.002 -4.099 -15.548 1.00 50.14 O ATOM 1033 CB PHE A 77 0.248 -1.999 -14.728 1.00 24.55 C ATOM 1034 CG PHE A 77 0.717 -1.143 -13.586 1.00 32.32 C ATOM 1035 CD1 PHE A 77 0.720 0.238 -13.694 1.00 41.14 C ATOM 1036 CD2 PHE A 77 1.153 -1.720 -12.404 1.00 3.41 C ATOM 1037 CE1 PHE A 77 1.151 1.028 -12.646 1.00 3.14 C ATOM 1038 CE2 PHE A 77 1.585 -0.935 -11.351 1.00 44.34 C ATOM 1039 CZ PHE A 77 1.583 0.441 -11.472 1.00 44.12 C ATOM 0 H PHE A 77 -1.799 -2.773 -13.186 1.00 60.30 H new ATOM 0 HA PHE A 77 -1.455 -0.916 -15.466 1.00 71.31 H new ATOM 0 HB2 PHE A 77 0.490 -3.040 -14.514 1.00 24.55 H new ATOM 0 HB3 PHE A 77 0.797 -1.722 -15.628 1.00 24.55 H new ATOM 0 HD1 PHE A 77 0.381 0.703 -14.608 1.00 41.14 H new ATOM 0 HD2 PHE A 77 1.155 -2.795 -12.304 1.00 3.41 H new ATOM 0 HE1 PHE A 77 1.150 2.104 -12.744 1.00 3.14 H new ATOM 0 HE2 PHE A 77 1.923 -1.397 -10.435 1.00 44.34 H new ATOM 0 HZ PHE A 77 1.918 1.057 -10.651 1.00 44.12 H new ATOM 1049 N VAL A 78 -1.716 -2.659 -17.254 1.00 25.13 N ATOM 1050 CA VAL A 78 -2.116 -3.619 -18.276 1.00 11.15 C ATOM 1051 C VAL A 78 -0.907 -4.139 -19.045 1.00 31.43 C ATOM 1052 O VAL A 78 -0.127 -3.362 -19.596 1.00 64.23 O ATOM 1053 CB VAL A 78 -3.114 -2.996 -19.270 1.00 32.42 C ATOM 1054 CG1 VAL A 78 -3.649 -4.054 -20.223 1.00 65.32 C ATOM 1055 CG2 VAL A 78 -4.252 -2.314 -18.525 1.00 71.42 C ATOM 0 H VAL A 78 -1.464 -1.739 -17.615 1.00 25.13 H new ATOM 0 HA VAL A 78 -2.598 -4.449 -17.760 1.00 11.15 H new ATOM 0 HB VAL A 78 -2.591 -2.242 -19.858 1.00 32.42 H new ATOM 0 HG11 VAL A 78 -4.353 -3.595 -20.918 1.00 65.32 H new ATOM 0 HG12 VAL A 78 -2.822 -4.493 -20.781 1.00 65.32 H new ATOM 0 HG13 VAL A 78 -4.157 -4.833 -19.654 1.00 65.32 H new ATOM 0 HG21 VAL A 78 -4.948 -1.879 -19.243 1.00 71.42 H new ATOM 0 HG22 VAL A 78 -4.775 -3.047 -17.910 1.00 71.42 H new ATOM 0 HG23 VAL A 78 -3.849 -1.527 -17.887 1.00 71.42 H new ATOM 1065 N LEU A 79 -0.758 -5.459 -19.078 1.00 43.13 N ATOM 1066 CA LEU A 79 0.357 -6.085 -19.781 1.00 71.00 C ATOM 1067 C LEU A 79 -0.110 -6.717 -21.089 1.00 3.15 C ATOM 1068 O LEU A 79 -1.097 -7.452 -21.116 1.00 60.41 O ATOM 1069 CB LEU A 79 1.013 -7.145 -18.895 1.00 5.02 C ATOM 1070 CG LEU A 79 1.942 -8.132 -19.604 1.00 53.31 C ATOM 1071 CD1 LEU A 79 3.300 -8.172 -18.921 1.00 40.35 C ATOM 1072 CD2 LEU A 79 1.319 -9.520 -19.638 1.00 53.31 C ATOM 0 H LEU A 79 -1.395 -6.116 -18.627 1.00 43.13 H new ATOM 0 HA LEU A 79 1.089 -5.311 -20.014 1.00 71.00 H new ATOM 0 HB2 LEU A 79 1.582 -6.637 -18.116 1.00 5.02 H new ATOM 0 HB3 LEU A 79 0.226 -7.711 -18.397 1.00 5.02 H new ATOM 0 HG LEU A 79 2.085 -7.794 -20.630 1.00 53.31 H new ATOM 0 HD11 LEU A 79 3.947 -8.880 -19.439 1.00 40.35 H new ATOM 0 HD12 LEU A 79 3.751 -7.180 -18.949 1.00 40.35 H new ATOM 0 HD13 LEU A 79 3.177 -8.485 -17.884 1.00 40.35 H new ATOM 0 HD21 LEU A 79 1.994 -10.209 -20.146 1.00 53.31 H new ATOM 0 HD22 LEU A 79 1.146 -9.866 -18.619 1.00 53.31 H new ATOM 0 HD23 LEU A 79 0.370 -9.480 -20.173 1.00 53.31 H new ATOM 1084 N ILE A 80 0.607 -6.427 -22.169 1.00 5.02 N ATOM 1085 CA ILE A 80 0.269 -6.970 -23.478 1.00 55.35 C ATOM 1086 C ILE A 80 1.258 -8.051 -23.898 1.00 63.04 C ATOM 1087 O ILE A 80 2.442 -7.989 -23.564 1.00 60.41 O ATOM 1088 CB ILE A 80 0.242 -5.868 -24.555 1.00 32.25 C ATOM 1089 CG1 ILE A 80 -0.578 -4.671 -24.069 1.00 43.43 C ATOM 1090 CG2 ILE A 80 -0.326 -6.413 -25.856 1.00 74.23 C ATOM 1091 CD1 ILE A 80 -0.630 -3.532 -25.063 1.00 40.43 C ATOM 0 H ILE A 80 1.426 -5.819 -22.163 1.00 5.02 H new ATOM 0 HA ILE A 80 -0.726 -7.406 -23.390 1.00 55.35 H new ATOM 0 HB ILE A 80 1.263 -5.535 -24.739 1.00 32.25 H new ATOM 0 HG12 ILE A 80 -1.594 -5.001 -23.853 1.00 43.43 H new ATOM 0 HG13 ILE A 80 -0.155 -4.307 -23.133 1.00 43.43 H new ATOM 0 HG21 ILE A 80 -0.339 -5.623 -26.607 1.00 74.23 H new ATOM 0 HG22 ILE A 80 0.295 -7.237 -26.207 1.00 74.23 H new ATOM 0 HG23 ILE A 80 -1.342 -6.770 -25.688 1.00 74.23 H new ATOM 0 HD11 ILE A 80 -1.228 -2.718 -24.653 1.00 40.43 H new ATOM 0 HD12 ILE A 80 0.381 -3.176 -25.261 1.00 40.43 H new ATOM 0 HD13 ILE A 80 -1.081 -3.880 -25.992 1.00 40.43 H new ATOM 1103 N THR A 81 0.766 -9.042 -24.636 1.00 24.15 N ATOM 1104 CA THR A 81 1.607 -10.137 -25.102 1.00 71.35 C ATOM 1105 C THR A 81 1.453 -10.346 -26.605 1.00 23.44 C ATOM 1106 O THR A 81 0.338 -10.386 -27.124 1.00 50.25 O ATOM 1107 CB THR A 81 1.271 -11.453 -24.375 1.00 54.14 C ATOM 1108 OG1 THR A 81 2.204 -12.472 -24.750 1.00 4.04 O ATOM 1109 CG2 THR A 81 -0.143 -11.908 -24.706 1.00 11.54 C ATOM 0 H THR A 81 -0.210 -9.108 -24.923 1.00 24.15 H new ATOM 0 HA THR A 81 2.638 -9.861 -24.879 1.00 71.35 H new ATOM 0 HB THR A 81 1.338 -11.276 -23.301 1.00 54.14 H new ATOM 0 HG1 THR A 81 1.984 -13.305 -24.282 1.00 4.04 H new ATOM 0 HG21 THR A 81 -0.358 -12.839 -24.181 1.00 11.54 H new ATOM 0 HG22 THR A 81 -0.854 -11.143 -24.394 1.00 11.54 H new ATOM 0 HG23 THR A 81 -0.231 -12.068 -25.781 1.00 11.54 H new ATOM 1117 N ARG A 82 2.580 -10.481 -27.297 1.00 13.41 N ATOM 1118 CA ARG A 82 2.570 -10.685 -28.740 1.00 75.44 C ATOM 1119 C ARG A 82 3.011 -12.103 -29.091 1.00 62.25 C ATOM 1120 O ARG A 82 3.885 -12.673 -28.438 1.00 23.34 O ATOM 1121 CB ARG A 82 3.484 -9.670 -29.427 1.00 44.14 C ATOM 1122 CG ARG A 82 2.787 -8.369 -29.790 1.00 73.22 C ATOM 1123 CD ARG A 82 3.489 -7.662 -30.939 1.00 74.21 C ATOM 1124 NE ARG A 82 3.008 -8.121 -32.240 1.00 24.44 N ATOM 1125 CZ ARG A 82 1.834 -7.774 -32.754 1.00 31.11 C ATOM 1126 NH1 ARG A 82 1.024 -6.968 -32.081 1.00 44.44 N ATOM 1127 NH2 ARG A 82 1.467 -8.233 -33.944 1.00 24.24 N ATOM 0 H ARG A 82 3.511 -10.453 -26.881 1.00 13.41 H new ATOM 0 HA ARG A 82 1.549 -10.542 -29.095 1.00 75.44 H new ATOM 0 HB2 ARG A 82 4.326 -9.450 -28.771 1.00 44.14 H new ATOM 0 HB3 ARG A 82 3.894 -10.118 -30.333 1.00 44.14 H new ATOM 0 HG2 ARG A 82 1.752 -8.574 -30.065 1.00 73.22 H new ATOM 0 HG3 ARG A 82 2.761 -7.714 -28.919 1.00 73.22 H new ATOM 0 HD2 ARG A 82 3.332 -6.587 -30.853 1.00 74.21 H new ATOM 0 HD3 ARG A 82 4.563 -7.834 -30.868 1.00 74.21 H new ATOM 0 HE ARG A 82 3.607 -8.742 -32.783 1.00 24.44 H new ATOM 0 HH11 ARG A 82 1.302 -6.613 -31.166 1.00 44.44 H new ATOM 0 HH12 ARG A 82 0.123 -6.703 -32.478 1.00 44.44 H new ATOM 0 HH21 ARG A 82 2.087 -8.853 -34.465 1.00 24.24 H new ATOM 0 HH22 ARG A 82 0.565 -7.966 -34.338 1.00 24.24 H new