USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 594 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 55 SER OG : rot 124:sc= 0.427 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 1 MET CE :methyl -102:sc= -0.537 (180deg=-1.77!) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0175 (180deg=-0.241) USER MOD Single : A 5 SER OG : rot 61:sc= 0.832 USER MOD Single : A 7 THR OG1 : rot -88:sc= 0.0421! USER MOD Single : A 11 THR OG1 : rot 103:sc= -2.01! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 154:sc=-0.00905 (180deg=-0.789) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -111:sc= -3.01! (180deg=-5.73!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 154:sc= -2.84! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0648 X(o=-0.065,f=0) USER MOD Single : A 43 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -0.345 (180deg=-1.89!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 100:sc= 0.786 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.929 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 70 SER OG : rot 51:sc= -4.64! USER MOD Single : A 74 SER OG : rot -93:sc= 1.36 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00657) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.335 -0.297 13.763 1.00 0.00 N ATOM 2 CA MET A 1 -5.028 1.003 13.989 1.00 0.00 C ATOM 3 C MET A 1 -6.538 0.804 13.852 1.00 0.00 C ATOM 4 O MET A 1 -7.236 0.586 14.822 1.00 0.00 O ATOM 5 CB MET A 1 -4.551 2.022 12.952 1.00 0.00 C ATOM 6 CG MET A 1 -3.146 2.504 13.318 1.00 0.00 C ATOM 7 SD MET A 1 -3.266 3.877 14.491 1.00 0.00 S ATOM 8 CE MET A 1 -2.823 2.944 15.977 1.00 0.00 C ATOM 0 H1 MET A 1 -3.387 -0.264 14.190 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.885 -1.064 14.200 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.249 -0.472 12.741 1.00 0.00 H new ATOM 0 HA MET A 1 -4.799 1.369 14.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.545 1.571 11.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.238 2.867 12.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.572 1.687 13.755 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.614 2.823 12.422 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.724 2.718 16.547 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.332 2.014 15.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.145 3.538 16.591 1.00 0.00 H new ATOM 20 N ALA A 2 -7.048 0.876 12.654 1.00 0.00 N ATOM 21 CA ALA A 2 -8.512 0.689 12.455 1.00 0.00 C ATOM 22 C ALA A 2 -8.793 -0.770 12.094 1.00 0.00 C ATOM 23 O ALA A 2 -9.291 -1.533 12.897 1.00 0.00 O ATOM 24 CB ALA A 2 -8.994 1.597 11.322 1.00 0.00 C ATOM 0 H ALA A 2 -6.514 1.056 11.804 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.040 0.945 13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.066 1.460 11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.793 2.637 11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.468 1.342 10.402 1.00 0.00 H new ATOM 30 N GLY A 3 -8.483 -1.164 10.889 1.00 0.00 N ATOM 31 CA GLY A 3 -8.740 -2.573 10.477 1.00 0.00 C ATOM 32 C GLY A 3 -9.220 -2.573 9.031 1.00 0.00 C ATOM 33 O GLY A 3 -8.592 -1.982 8.177 1.00 0.00 O ATOM 0 H GLY A 3 -8.063 -0.572 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.832 -3.168 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.490 -3.027 11.125 1.00 0.00 H new ATOM 37 N PRO A 4 -10.332 -3.217 8.801 1.00 0.00 N ATOM 38 CA PRO A 4 -10.856 -3.224 7.421 1.00 0.00 C ATOM 39 C PRO A 4 -11.022 -1.778 6.956 1.00 0.00 C ATOM 40 O PRO A 4 -12.053 -1.169 7.157 1.00 0.00 O ATOM 41 CB PRO A 4 -12.213 -3.922 7.526 1.00 0.00 C ATOM 42 CG PRO A 4 -12.660 -3.770 8.992 1.00 0.00 C ATOM 43 CD PRO A 4 -11.392 -3.469 9.808 1.00 0.00 C ATOM 0 HA PRO A 4 -10.203 -3.728 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.937 -3.469 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.133 -4.973 7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.387 -2.964 9.094 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -13.142 -4.681 9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.536 -2.603 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.131 -4.308 10.453 1.00 0.00 H new ATOM 51 N SER A 5 -10.006 -1.217 6.358 1.00 0.00 N ATOM 52 CA SER A 5 -10.096 0.198 5.906 1.00 0.00 C ATOM 53 C SER A 5 -8.699 0.719 5.602 1.00 0.00 C ATOM 54 O SER A 5 -8.094 1.410 6.397 1.00 0.00 O ATOM 55 CB SER A 5 -10.728 1.043 7.011 1.00 0.00 C ATOM 56 OG SER A 5 -12.134 1.118 6.806 1.00 0.00 O ATOM 0 H SER A 5 -9.118 -1.679 6.164 1.00 0.00 H new ATOM 0 HA SER A 5 -10.710 0.258 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.515 0.604 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.296 2.044 7.010 1.00 0.00 H new ATOM 0 HG SER A 5 -12.517 0.217 6.836 1.00 0.00 H new ATOM 62 N VAL A 6 -8.204 0.385 4.445 1.00 0.00 N ATOM 63 CA VAL A 6 -6.849 0.827 4.011 1.00 0.00 C ATOM 64 C VAL A 6 -5.918 1.028 5.213 1.00 0.00 C ATOM 65 O VAL A 6 -5.928 2.049 5.865 1.00 0.00 O ATOM 66 CB VAL A 6 -6.965 2.125 3.229 1.00 0.00 C ATOM 67 CG1 VAL A 6 -7.991 1.961 2.107 1.00 0.00 C ATOM 68 CG2 VAL A 6 -7.403 3.253 4.164 1.00 0.00 C ATOM 0 H VAL A 6 -8.696 -0.192 3.763 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.421 0.050 3.378 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.995 2.371 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.072 2.894 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.672 1.163 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.961 1.710 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.485 4.182 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.371 3.008 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.666 3.374 4.958 1.00 0.00 H new ATOM 78 N THR A 7 -5.128 0.035 5.485 1.00 0.00 N ATOM 79 CA THR A 7 -4.160 0.049 6.626 1.00 0.00 C ATOM 80 C THR A 7 -4.063 -1.400 7.066 1.00 0.00 C ATOM 81 O THR A 7 -3.025 -2.027 7.017 1.00 0.00 O ATOM 82 CB THR A 7 -4.662 0.906 7.792 1.00 0.00 C ATOM 83 OG1 THR A 7 -6.082 0.880 7.835 1.00 0.00 O ATOM 84 CG2 THR A 7 -4.167 2.346 7.630 1.00 0.00 C ATOM 0 H THR A 7 -5.109 -0.828 4.941 1.00 0.00 H new ATOM 0 HA THR A 7 -3.203 0.474 6.323 1.00 0.00 H new ATOM 0 HB THR A 7 -4.273 0.501 8.726 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.440 1.589 7.261 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.527 2.950 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.077 2.357 7.619 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.544 2.757 6.693 1.00 0.00 H new ATOM 92 N GLU A 8 -5.188 -1.950 7.407 1.00 0.00 N ATOM 93 CA GLU A 8 -5.255 -3.387 7.755 1.00 0.00 C ATOM 94 C GLU A 8 -5.743 -4.099 6.486 1.00 0.00 C ATOM 95 O GLU A 8 -5.793 -5.310 6.401 1.00 0.00 O ATOM 96 CB GLU A 8 -6.256 -3.597 8.894 1.00 0.00 C ATOM 97 CG GLU A 8 -5.789 -4.753 9.780 1.00 0.00 C ATOM 98 CD GLU A 8 -4.986 -4.200 10.959 1.00 0.00 C ATOM 99 OE1 GLU A 8 -5.596 -3.868 11.962 1.00 0.00 O ATOM 100 OE2 GLU A 8 -3.775 -4.118 10.839 1.00 0.00 O ATOM 0 H GLU A 8 -6.078 -1.455 7.460 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.290 -3.772 8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.346 -2.686 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.244 -3.813 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.648 -5.316 10.144 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.176 -5.444 9.201 1.00 0.00 H new ATOM 107 N LEU A 9 -6.105 -3.311 5.495 1.00 0.00 N ATOM 108 CA LEU A 9 -6.601 -3.837 4.203 1.00 0.00 C ATOM 109 C LEU A 9 -5.418 -3.963 3.228 1.00 0.00 C ATOM 110 O LEU A 9 -5.258 -4.965 2.559 1.00 0.00 O ATOM 111 CB LEU A 9 -7.655 -2.836 3.678 1.00 0.00 C ATOM 112 CG LEU A 9 -7.445 -2.513 2.200 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.819 -3.731 1.376 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.344 -1.345 1.800 1.00 0.00 C ATOM 0 H LEU A 9 -6.071 -2.293 5.543 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.053 -4.823 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.653 -3.251 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.605 -1.917 4.261 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.403 -2.246 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.673 -3.513 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.188 -4.572 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.864 -3.984 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.194 -1.115 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.387 -1.614 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.094 -0.471 2.401 1.00 0.00 H new ATOM 126 N ILE A 10 -4.584 -2.955 3.149 1.00 0.00 N ATOM 127 CA ILE A 10 -3.416 -3.027 2.229 1.00 0.00 C ATOM 128 C ILE A 10 -2.559 -4.210 2.651 1.00 0.00 C ATOM 129 O ILE A 10 -2.225 -5.067 1.864 1.00 0.00 O ATOM 130 CB ILE A 10 -2.575 -1.752 2.348 1.00 0.00 C ATOM 131 CG1 ILE A 10 -3.282 -0.581 1.669 1.00 0.00 C ATOM 132 CG2 ILE A 10 -1.226 -1.979 1.667 1.00 0.00 C ATOM 133 CD1 ILE A 10 -2.343 0.626 1.680 1.00 0.00 C ATOM 0 H ILE A 10 -4.665 -2.089 3.682 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.762 -3.135 1.201 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.434 -1.519 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.550 -0.843 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.209 -0.344 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.621 -1.076 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.708 -2.807 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.385 -2.217 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.833 1.472 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.098 0.887 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.429 0.381 1.140 1.00 0.00 H new ATOM 145 N THR A 11 -2.205 -4.249 3.902 1.00 0.00 N ATOM 146 CA THR A 11 -1.374 -5.364 4.415 1.00 0.00 C ATOM 147 C THR A 11 -1.913 -6.680 3.860 1.00 0.00 C ATOM 148 O THR A 11 -1.177 -7.628 3.672 1.00 0.00 O ATOM 149 CB THR A 11 -1.439 -5.345 5.942 1.00 0.00 C ATOM 150 OG1 THR A 11 -0.937 -4.102 6.414 1.00 0.00 O ATOM 151 CG2 THR A 11 -0.599 -6.480 6.515 1.00 0.00 C ATOM 0 H THR A 11 -2.460 -3.547 4.597 1.00 0.00 H new ATOM 0 HA THR A 11 -0.336 -5.258 4.101 1.00 0.00 H new ATOM 0 HB THR A 11 -2.474 -5.473 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.685 -3.524 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.652 -6.458 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.981 -7.434 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.437 -6.361 6.199 1.00 0.00 H new ATOM 159 N LYS A 12 -3.180 -6.740 3.548 1.00 0.00 N ATOM 160 CA LYS A 12 -3.719 -7.991 2.953 1.00 0.00 C ATOM 161 C LYS A 12 -2.952 -8.223 1.654 1.00 0.00 C ATOM 162 O LYS A 12 -2.310 -9.237 1.464 1.00 0.00 O ATOM 163 CB LYS A 12 -5.213 -7.830 2.659 1.00 0.00 C ATOM 164 CG LYS A 12 -5.957 -7.511 3.957 1.00 0.00 C ATOM 165 CD LYS A 12 -5.979 -8.752 4.851 1.00 0.00 C ATOM 166 CE LYS A 12 -7.376 -9.376 4.828 1.00 0.00 C ATOM 167 NZ LYS A 12 -7.464 -10.437 5.871 1.00 0.00 N ATOM 0 H LYS A 12 -3.855 -5.987 3.678 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.602 -8.834 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.368 -7.032 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.608 -8.744 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.469 -6.685 4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.975 -7.191 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.241 -9.475 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.707 -8.482 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.131 -8.611 5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.580 -9.800 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.413 -10.861 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.753 -11.172 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.287 -10.019 6.807 1.00 0.00 H new ATOM 181 N ALA A 13 -2.981 -7.255 0.776 1.00 0.00 N ATOM 182 CA ALA A 13 -2.219 -7.369 -0.497 1.00 0.00 C ATOM 183 C ALA A 13 -0.727 -7.206 -0.183 1.00 0.00 C ATOM 184 O ALA A 13 0.121 -7.355 -1.040 1.00 0.00 O ATOM 185 CB ALA A 13 -2.660 -6.257 -1.457 1.00 0.00 C ATOM 0 H ALA A 13 -3.504 -6.386 0.889 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.404 -8.338 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.102 -6.339 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.726 -6.355 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.465 -5.286 -1.003 1.00 0.00 H new ATOM 191 N VAL A 14 -0.406 -6.897 1.049 1.00 0.00 N ATOM 192 CA VAL A 14 1.017 -6.719 1.442 1.00 0.00 C ATOM 193 C VAL A 14 1.441 -7.888 2.343 1.00 0.00 C ATOM 194 O VAL A 14 2.528 -7.905 2.886 1.00 0.00 O ATOM 195 CB VAL A 14 1.185 -5.355 2.147 1.00 0.00 C ATOM 196 CG1 VAL A 14 1.876 -5.503 3.510 1.00 0.00 C ATOM 197 CG2 VAL A 14 2.039 -4.447 1.262 1.00 0.00 C ATOM 0 H VAL A 14 -1.079 -6.760 1.803 1.00 0.00 H new ATOM 0 HA VAL A 14 1.662 -6.721 0.564 1.00 0.00 H new ATOM 0 HB VAL A 14 0.194 -4.931 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.976 -4.522 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.279 -6.150 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.864 -5.942 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.166 -3.480 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.016 -4.905 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.545 -4.308 0.300 1.00 0.00 H new ATOM 207 N SER A 15 0.594 -8.869 2.497 1.00 0.00 N ATOM 208 CA SER A 15 0.953 -10.036 3.351 1.00 0.00 C ATOM 209 C SER A 15 1.547 -11.137 2.472 1.00 0.00 C ATOM 210 O SER A 15 2.399 -11.892 2.895 1.00 0.00 O ATOM 211 CB SER A 15 -0.300 -10.564 4.051 1.00 0.00 C ATOM 212 OG SER A 15 -0.363 -10.030 5.367 1.00 0.00 O ATOM 0 H SER A 15 -0.331 -8.913 2.068 1.00 0.00 H new ATOM 0 HA SER A 15 1.683 -9.730 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.190 -10.283 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.278 -11.653 4.089 1.00 0.00 H new ATOM 0 HG SER A 15 -1.166 -10.365 5.818 1.00 0.00 H new ATOM 218 N ALA A 16 1.103 -11.231 1.248 1.00 0.00 N ATOM 219 CA ALA A 16 1.640 -12.280 0.338 1.00 0.00 C ATOM 220 C ALA A 16 3.069 -11.916 -0.067 1.00 0.00 C ATOM 221 O ALA A 16 3.993 -12.681 0.125 1.00 0.00 O ATOM 222 CB ALA A 16 0.764 -12.366 -0.913 1.00 0.00 C ATOM 0 H ALA A 16 0.391 -10.626 0.840 1.00 0.00 H new ATOM 0 HA ALA A 16 1.639 -13.242 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.156 -13.134 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.256 -12.621 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.767 -11.404 -1.426 1.00 0.00 H new ATOM 228 N SER A 17 3.258 -10.751 -0.624 1.00 0.00 N ATOM 229 CA SER A 17 4.628 -10.336 -1.040 1.00 0.00 C ATOM 230 C SER A 17 5.228 -11.402 -1.960 1.00 0.00 C ATOM 231 O SER A 17 5.629 -12.461 -1.521 1.00 0.00 O ATOM 232 CB SER A 17 5.510 -10.178 0.199 1.00 0.00 C ATOM 233 OG SER A 17 4.898 -9.262 1.097 1.00 0.00 O ATOM 0 H SER A 17 2.523 -10.068 -0.809 1.00 0.00 H new ATOM 0 HA SER A 17 4.574 -9.386 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.650 -11.143 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.499 -9.819 -0.087 1.00 0.00 H new ATOM 0 HG SER A 17 5.460 -9.160 1.893 1.00 0.00 H new ATOM 239 N LYS A 18 5.293 -11.130 -3.235 1.00 0.00 N ATOM 240 CA LYS A 18 5.868 -12.128 -4.180 1.00 0.00 C ATOM 241 C LYS A 18 6.919 -11.450 -5.061 1.00 0.00 C ATOM 242 O LYS A 18 6.965 -11.654 -6.258 1.00 0.00 O ATOM 243 CB LYS A 18 4.754 -12.696 -5.062 1.00 0.00 C ATOM 244 CG LYS A 18 4.079 -11.558 -5.830 1.00 0.00 C ATOM 245 CD LYS A 18 4.340 -11.727 -7.328 1.00 0.00 C ATOM 246 CE LYS A 18 3.161 -11.159 -8.119 1.00 0.00 C ATOM 247 NZ LYS A 18 2.763 -9.844 -7.542 1.00 0.00 N ATOM 0 H LYS A 18 4.973 -10.261 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 18 6.333 -12.936 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.165 -13.426 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.021 -13.219 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.007 -11.559 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.464 -10.597 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.260 -11.214 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.478 -12.781 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.436 -11.040 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.320 -11.852 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.307 -9.266 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.097 -9.996 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.607 -9.350 -7.188 1.00 0.00 H new ATOM 261 N GLU A 19 7.766 -10.645 -4.479 1.00 0.00 N ATOM 262 CA GLU A 19 8.813 -9.957 -5.284 1.00 0.00 C ATOM 263 C GLU A 19 9.853 -9.341 -4.347 1.00 0.00 C ATOM 264 O GLU A 19 9.653 -9.256 -3.152 1.00 0.00 O ATOM 265 CB GLU A 19 8.167 -8.854 -6.125 1.00 0.00 C ATOM 266 CG GLU A 19 8.988 -8.635 -7.397 1.00 0.00 C ATOM 267 CD GLU A 19 8.088 -8.812 -8.621 1.00 0.00 C ATOM 268 OE1 GLU A 19 7.655 -9.927 -8.858 1.00 0.00 O ATOM 269 OE2 GLU A 19 7.846 -7.828 -9.301 1.00 0.00 O ATOM 0 H GLU A 19 7.777 -10.435 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 19 9.298 -10.678 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.144 -9.130 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.112 -7.929 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.424 -7.636 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.815 -9.343 -7.435 1.00 0.00 H new ATOM 276 N ARG A 20 10.964 -8.910 -4.879 1.00 0.00 N ATOM 277 CA ARG A 20 12.014 -8.300 -4.017 1.00 0.00 C ATOM 278 C ARG A 20 11.915 -6.776 -4.095 1.00 0.00 C ATOM 279 O ARG A 20 12.786 -6.063 -3.638 1.00 0.00 O ATOM 280 CB ARG A 20 13.395 -8.746 -4.502 1.00 0.00 C ATOM 281 CG ARG A 20 13.601 -8.289 -5.947 1.00 0.00 C ATOM 282 CD ARG A 20 15.061 -7.882 -6.151 1.00 0.00 C ATOM 283 NE ARG A 20 15.559 -8.447 -7.437 1.00 0.00 N ATOM 284 CZ ARG A 20 15.031 -8.061 -8.566 1.00 0.00 C ATOM 285 NH1 ARG A 20 13.966 -8.659 -9.026 1.00 0.00 N ATOM 286 NH2 ARG A 20 15.568 -7.078 -9.235 1.00 0.00 N ATOM 0 H ARG A 20 11.189 -8.954 -5.873 1.00 0.00 H new ATOM 0 HA ARG A 20 11.869 -8.622 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.170 -8.325 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.482 -9.831 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.337 -9.092 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.944 -7.449 -6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.149 -6.796 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.670 -8.244 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 20 16.312 -9.135 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.547 -9.428 -8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.553 -8.358 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.401 -6.611 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.155 -6.776 -10.118 1.00 0.00 H new ATOM 300 N LYS A 21 10.859 -6.270 -4.670 1.00 0.00 N ATOM 301 CA LYS A 21 10.704 -4.792 -4.775 1.00 0.00 C ATOM 302 C LYS A 21 9.557 -4.336 -3.874 1.00 0.00 C ATOM 303 O LYS A 21 9.763 -3.675 -2.876 1.00 0.00 O ATOM 304 CB LYS A 21 10.394 -4.413 -6.225 1.00 0.00 C ATOM 305 CG LYS A 21 10.966 -3.026 -6.524 1.00 0.00 C ATOM 306 CD LYS A 21 11.562 -3.013 -7.932 1.00 0.00 C ATOM 307 CE LYS A 21 10.473 -3.347 -8.952 1.00 0.00 C ATOM 308 NZ LYS A 21 10.935 -2.962 -10.316 1.00 0.00 N ATOM 0 H LYS A 21 10.097 -6.816 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 21 11.628 -4.306 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.824 -5.149 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.317 -4.417 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.183 -2.273 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.731 -2.771 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.989 -2.034 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.374 -3.737 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.245 -4.412 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.553 -2.817 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.195 -3.189 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.132 -1.941 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.802 -3.487 -10.550 1.00 0.00 H new ATOM 322 N GLY A 22 8.347 -4.685 -4.217 1.00 0.00 N ATOM 323 CA GLY A 22 7.188 -4.271 -3.379 1.00 0.00 C ATOM 324 C GLY A 22 6.239 -3.414 -4.210 1.00 0.00 C ATOM 325 O GLY A 22 5.875 -2.329 -3.816 1.00 0.00 O ATOM 0 H GLY A 22 8.112 -5.239 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.665 -5.150 -3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.535 -3.711 -2.511 1.00 0.00 H new ATOM 329 N LEU A 23 5.835 -3.890 -5.357 1.00 0.00 N ATOM 330 CA LEU A 23 4.911 -3.091 -6.209 1.00 0.00 C ATOM 331 C LEU A 23 5.387 -1.635 -6.235 1.00 0.00 C ATOM 332 O LEU A 23 6.571 -1.367 -6.290 1.00 0.00 O ATOM 333 CB LEU A 23 3.491 -3.166 -5.636 1.00 0.00 C ATOM 334 CG LEU A 23 3.162 -4.606 -5.221 1.00 0.00 C ATOM 335 CD1 LEU A 23 3.719 -5.593 -6.252 1.00 0.00 C ATOM 336 CD2 LEU A 23 3.784 -4.895 -3.853 1.00 0.00 C ATOM 0 H LEU A 23 6.105 -4.796 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 23 4.906 -3.490 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.403 -2.503 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.772 -2.821 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 23 2.080 -4.722 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.479 -6.612 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.273 -5.392 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.801 -5.479 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.551 -5.918 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.865 -4.771 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.379 -4.202 -3.115 1.00 0.00 H new ATOM 348 N SER A 24 4.486 -0.689 -6.196 1.00 0.00 N ATOM 349 CA SER A 24 4.916 0.737 -6.220 1.00 0.00 C ATOM 350 C SER A 24 3.727 1.644 -5.893 1.00 0.00 C ATOM 351 O SER A 24 3.366 2.509 -6.666 1.00 0.00 O ATOM 352 CB SER A 24 5.450 1.081 -7.610 1.00 0.00 C ATOM 353 OG SER A 24 4.722 0.347 -8.586 1.00 0.00 O ATOM 0 H SER A 24 3.479 -0.842 -6.149 1.00 0.00 H new ATOM 0 HA SER A 24 5.699 0.890 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.353 2.151 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.511 0.841 -7.674 1.00 0.00 H new ATOM 0 HG SER A 24 5.060 0.566 -9.479 1.00 0.00 H new ATOM 359 N LEU A 25 3.114 1.457 -4.753 1.00 0.00 N ATOM 360 CA LEU A 25 1.953 2.315 -4.384 1.00 0.00 C ATOM 361 C LEU A 25 0.839 2.117 -5.408 1.00 0.00 C ATOM 362 O LEU A 25 -0.110 2.874 -5.467 1.00 0.00 O ATOM 363 CB LEU A 25 2.388 3.781 -4.383 1.00 0.00 C ATOM 364 CG LEU A 25 3.432 4.002 -3.290 1.00 0.00 C ATOM 365 CD1 LEU A 25 4.698 4.599 -3.906 1.00 0.00 C ATOM 366 CD2 LEU A 25 2.871 4.965 -2.243 1.00 0.00 C ATOM 0 H LEU A 25 3.368 0.749 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 25 1.593 2.042 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.801 4.049 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.526 4.427 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 25 3.674 3.050 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.443 4.757 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.096 3.914 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.459 5.552 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.613 5.125 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.631 5.917 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.968 4.540 -1.804 1.00 0.00 H new ATOM 378 N ALA A 26 0.949 1.103 -6.217 1.00 0.00 N ATOM 379 CA ALA A 26 -0.098 0.849 -7.239 1.00 0.00 C ATOM 380 C ALA A 26 -0.547 -0.606 -7.143 1.00 0.00 C ATOM 381 O ALA A 26 -1.550 -0.907 -6.534 1.00 0.00 O ATOM 382 CB ALA A 26 0.471 1.118 -8.634 1.00 0.00 C ATOM 0 H ALA A 26 1.722 0.438 -6.214 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.948 1.508 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.298 0.931 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.797 2.156 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.320 0.459 -8.814 1.00 0.00 H new ATOM 388 N ALA A 27 0.195 -1.503 -7.741 1.00 0.00 N ATOM 389 CA ALA A 27 -0.170 -2.951 -7.705 1.00 0.00 C ATOM 390 C ALA A 27 -0.768 -3.318 -6.346 1.00 0.00 C ATOM 391 O ALA A 27 -1.578 -4.217 -6.240 1.00 0.00 O ATOM 392 CB ALA A 27 1.083 -3.796 -7.948 1.00 0.00 C ATOM 0 H ALA A 27 1.048 -1.291 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.909 -3.146 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.819 -4.853 -7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.504 -3.551 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.819 -3.587 -7.172 1.00 0.00 H new ATOM 398 N LEU A 28 -0.375 -2.641 -5.304 1.00 0.00 N ATOM 399 CA LEU A 28 -0.926 -2.972 -3.964 1.00 0.00 C ATOM 400 C LEU A 28 -2.151 -2.119 -3.681 1.00 0.00 C ATOM 401 O LEU A 28 -3.138 -2.631 -3.228 1.00 0.00 O ATOM 402 CB LEU A 28 0.135 -2.718 -2.883 1.00 0.00 C ATOM 403 CG LEU A 28 -0.524 -2.622 -1.495 1.00 0.00 C ATOM 404 CD1 LEU A 28 -0.215 -3.883 -0.693 1.00 0.00 C ATOM 405 CD2 LEU A 28 0.015 -1.399 -0.754 1.00 0.00 C ATOM 0 H LEU A 28 0.300 -1.877 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.209 -4.025 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.869 -3.524 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.672 -1.795 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.603 -2.525 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.682 -3.813 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.605 -4.754 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.864 -3.984 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.453 -1.333 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.095 -1.492 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.212 -0.499 -1.325 1.00 0.00 H new ATOM 417 N LYS A 29 -2.110 -0.836 -3.924 1.00 0.00 N ATOM 418 CA LYS A 29 -3.316 -0.018 -3.634 1.00 0.00 C ATOM 419 C LYS A 29 -4.177 -0.001 -4.886 1.00 0.00 C ATOM 420 O LYS A 29 -4.490 1.016 -5.472 1.00 0.00 O ATOM 421 CB LYS A 29 -2.948 1.398 -3.163 1.00 0.00 C ATOM 422 CG LYS A 29 -2.835 1.418 -1.622 1.00 0.00 C ATOM 423 CD LYS A 29 -4.229 1.608 -1.010 1.00 0.00 C ATOM 424 CE LYS A 29 -5.093 0.376 -1.291 1.00 0.00 C ATOM 425 NZ LYS A 29 -6.162 0.268 -0.258 1.00 0.00 N ATOM 0 H LYS A 29 -1.310 -0.330 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.876 -0.460 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.004 1.707 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.705 2.110 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.394 0.487 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.174 2.225 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.145 1.767 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.701 2.497 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.538 0.450 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.476 -0.522 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.977 -0.556 0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.172 1.130 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.085 0.154 -0.724 1.00 0.00 H new ATOM 439 N LYS A 30 -4.518 -1.182 -5.274 1.00 0.00 N ATOM 440 CA LYS A 30 -5.342 -1.447 -6.486 1.00 0.00 C ATOM 441 C LYS A 30 -6.052 -2.803 -6.312 1.00 0.00 C ATOM 442 O LYS A 30 -7.153 -3.005 -6.784 1.00 0.00 O ATOM 443 CB LYS A 30 -4.409 -1.549 -7.679 1.00 0.00 C ATOM 444 CG LYS A 30 -3.302 -2.534 -7.312 1.00 0.00 C ATOM 445 CD LYS A 30 -3.738 -3.955 -7.676 1.00 0.00 C ATOM 446 CE LYS A 30 -2.948 -4.436 -8.894 1.00 0.00 C ATOM 447 NZ LYS A 30 -3.867 -5.136 -9.836 1.00 0.00 N ATOM 0 H LYS A 30 -4.246 -2.029 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.073 -0.652 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.950 -1.892 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.989 -0.573 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.384 -2.278 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.084 -2.471 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.570 -4.625 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.806 -3.975 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.475 -3.589 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.149 -5.108 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.331 -5.464 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.298 -5.953 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.614 -4.481 -10.144 1.00 0.00 H new ATOM 461 N ALA A 31 -5.422 -3.730 -5.620 1.00 0.00 N ATOM 462 CA ALA A 31 -6.030 -5.057 -5.380 1.00 0.00 C ATOM 463 C ALA A 31 -7.223 -4.829 -4.468 1.00 0.00 C ATOM 464 O ALA A 31 -8.206 -5.543 -4.488 1.00 0.00 O ATOM 465 CB ALA A 31 -4.990 -5.944 -4.680 1.00 0.00 C ATOM 0 H ALA A 31 -4.496 -3.607 -5.210 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.343 -5.543 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.418 -6.929 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.111 -6.045 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.702 -5.488 -3.733 1.00 0.00 H new ATOM 471 N LEU A 32 -7.126 -3.797 -3.687 1.00 0.00 N ATOM 472 CA LEU A 32 -8.213 -3.419 -2.763 1.00 0.00 C ATOM 473 C LEU A 32 -9.357 -2.848 -3.574 1.00 0.00 C ATOM 474 O LEU A 32 -10.496 -2.805 -3.151 1.00 0.00 O ATOM 475 CB LEU A 32 -7.639 -2.368 -1.811 1.00 0.00 C ATOM 476 CG LEU A 32 -6.420 -2.948 -1.091 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.572 -4.451 -1.004 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.134 -2.638 -1.846 1.00 0.00 C ATOM 0 H LEU A 32 -6.312 -3.184 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.588 -4.270 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.356 -1.474 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.395 -2.067 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.362 -2.500 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.708 -4.875 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.478 -4.694 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.640 -4.869 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.286 -3.063 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.185 -3.071 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.009 -1.558 -1.924 1.00 0.00 H new ATOM 490 N ALA A 33 -9.042 -2.424 -4.748 1.00 0.00 N ATOM 491 CA ALA A 33 -10.063 -1.856 -5.650 1.00 0.00 C ATOM 492 C ALA A 33 -10.567 -2.955 -6.587 1.00 0.00 C ATOM 493 O ALA A 33 -10.758 -2.738 -7.767 1.00 0.00 O ATOM 494 CB ALA A 33 -9.418 -0.749 -6.476 1.00 0.00 C ATOM 0 H ALA A 33 -8.098 -2.446 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.897 -1.456 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.159 -0.318 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.037 0.026 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.596 -1.163 -7.060 1.00 0.00 H new ATOM 500 N ALA A 34 -10.750 -4.142 -6.080 1.00 0.00 N ATOM 501 CA ALA A 34 -11.201 -5.261 -6.958 1.00 0.00 C ATOM 502 C ALA A 34 -12.727 -5.384 -6.994 1.00 0.00 C ATOM 503 O ALA A 34 -13.321 -5.462 -8.051 1.00 0.00 O ATOM 504 CB ALA A 34 -10.603 -6.573 -6.448 1.00 0.00 C ATOM 0 H ALA A 34 -10.608 -4.387 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.859 -5.049 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.930 -7.394 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.515 -6.509 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.938 -6.752 -5.426 1.00 0.00 H new ATOM 510 N GLY A 35 -13.369 -5.436 -5.865 1.00 0.00 N ATOM 511 CA GLY A 35 -14.855 -5.594 -5.874 1.00 0.00 C ATOM 512 C GLY A 35 -15.543 -4.229 -5.910 1.00 0.00 C ATOM 513 O GLY A 35 -16.226 -3.887 -6.856 1.00 0.00 O ATOM 0 H GLY A 35 -12.939 -5.377 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.158 -6.183 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.173 -6.144 -4.988 1.00 0.00 H new ATOM 517 N GLY A 36 -15.376 -3.457 -4.880 1.00 0.00 N ATOM 518 CA GLY A 36 -16.028 -2.113 -4.831 1.00 0.00 C ATOM 519 C GLY A 36 -14.958 -1.022 -4.855 1.00 0.00 C ATOM 520 O GLY A 36 -14.840 -0.283 -5.812 1.00 0.00 O ATOM 0 H GLY A 36 -14.814 -3.695 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.702 -1.994 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.632 -2.024 -3.928 1.00 0.00 H new ATOM 524 N TYR A 37 -14.174 -0.928 -3.810 1.00 0.00 N ATOM 525 CA TYR A 37 -13.088 0.099 -3.754 1.00 0.00 C ATOM 526 C TYR A 37 -12.478 0.241 -5.149 1.00 0.00 C ATOM 527 O TYR A 37 -12.482 -0.700 -5.916 1.00 0.00 O ATOM 528 CB TYR A 37 -12.025 -0.387 -2.749 1.00 0.00 C ATOM 529 CG TYR A 37 -12.246 0.279 -1.411 1.00 0.00 C ATOM 530 CD1 TYR A 37 -13.494 0.839 -1.101 1.00 0.00 C ATOM 531 CD2 TYR A 37 -11.209 0.324 -0.474 1.00 0.00 C ATOM 532 CE1 TYR A 37 -13.699 1.445 0.141 1.00 0.00 C ATOM 533 CE2 TYR A 37 -11.418 0.928 0.770 1.00 0.00 C ATOM 534 CZ TYR A 37 -12.664 1.489 1.077 1.00 0.00 C ATOM 535 OH TYR A 37 -12.875 2.079 2.307 1.00 0.00 O ATOM 0 H TYR A 37 -14.241 -1.525 -2.985 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.474 1.068 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.082 -1.470 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.027 -0.156 -3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.297 0.802 -1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.248 -0.107 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.659 1.880 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.618 0.962 1.495 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.264 1.688 2.966 1.00 0.00 H new ATOM 545 N ASP A 38 -11.974 1.391 -5.524 1.00 0.00 N ATOM 546 CA ASP A 38 -11.407 1.479 -6.877 1.00 0.00 C ATOM 547 C ASP A 38 -10.098 2.247 -6.832 1.00 0.00 C ATOM 548 O ASP A 38 -9.534 2.543 -7.865 1.00 0.00 O ATOM 549 CB ASP A 38 -12.399 2.174 -7.826 1.00 0.00 C ATOM 550 CG ASP A 38 -12.597 1.320 -9.079 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.358 0.368 -9.010 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.985 1.631 -10.088 1.00 0.00 O ATOM 0 H ASP A 38 -11.936 2.241 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.218 0.473 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.354 2.325 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.024 3.160 -8.101 1.00 0.00 H new ATOM 557 N VAL A 39 -9.617 2.622 -5.651 1.00 0.00 N ATOM 558 CA VAL A 39 -8.365 3.414 -5.591 1.00 0.00 C ATOM 559 C VAL A 39 -8.508 4.501 -6.650 1.00 0.00 C ATOM 560 O VAL A 39 -7.553 5.007 -7.205 1.00 0.00 O ATOM 561 CB VAL A 39 -7.154 2.503 -5.863 1.00 0.00 C ATOM 562 CG1 VAL A 39 -7.274 1.225 -5.029 1.00 0.00 C ATOM 563 CG2 VAL A 39 -7.105 2.129 -7.344 1.00 0.00 C ATOM 0 H VAL A 39 -10.044 2.408 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.202 3.858 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.243 3.037 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.416 0.582 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.302 1.483 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.190 0.699 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.246 1.484 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.019 1.602 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.015 3.034 -7.945 1.00 0.00 H new ATOM 573 N GLU A 40 -9.746 4.831 -6.926 1.00 0.00 N ATOM 574 CA GLU A 40 -10.078 5.845 -7.933 1.00 0.00 C ATOM 575 C GLU A 40 -11.195 6.697 -7.352 1.00 0.00 C ATOM 576 O GLU A 40 -10.966 7.769 -6.827 1.00 0.00 O ATOM 577 CB GLU A 40 -10.551 5.147 -9.205 1.00 0.00 C ATOM 578 CG GLU A 40 -9.504 5.330 -10.307 1.00 0.00 C ATOM 579 CD GLU A 40 -10.180 5.840 -11.582 1.00 0.00 C ATOM 580 OE1 GLU A 40 -11.390 6.001 -11.567 1.00 0.00 O ATOM 581 OE2 GLU A 40 -9.476 6.061 -12.554 1.00 0.00 O ATOM 0 H GLU A 40 -10.558 4.415 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.216 6.464 -8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.710 4.086 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.508 5.560 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.740 6.036 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.001 4.384 -10.504 1.00 0.00 H new ATOM 588 N LYS A 41 -12.398 6.197 -7.374 1.00 0.00 N ATOM 589 CA LYS A 41 -13.504 6.949 -6.741 1.00 0.00 C ATOM 590 C LYS A 41 -13.271 6.842 -5.229 1.00 0.00 C ATOM 591 O LYS A 41 -13.821 7.586 -4.441 1.00 0.00 O ATOM 592 CB LYS A 41 -14.853 6.330 -7.125 1.00 0.00 C ATOM 593 CG LYS A 41 -15.958 6.922 -6.247 1.00 0.00 C ATOM 594 CD LYS A 41 -17.317 6.696 -6.914 1.00 0.00 C ATOM 595 CE LYS A 41 -18.419 7.320 -6.056 1.00 0.00 C ATOM 596 NZ LYS A 41 -19.554 7.733 -6.929 1.00 0.00 N ATOM 0 H LYS A 41 -12.658 5.307 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.525 7.989 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.067 6.523 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.816 5.248 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.943 6.456 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.787 7.988 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.323 7.139 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.499 5.629 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.762 6.604 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.029 8.183 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.304 8.157 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.221 8.430 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.931 6.900 -7.425 1.00 0.00 H new ATOM 610 N ASN A 42 -12.408 5.926 -4.837 1.00 0.00 N ATOM 611 CA ASN A 42 -12.058 5.750 -3.405 1.00 0.00 C ATOM 612 C ASN A 42 -10.548 5.937 -3.281 1.00 0.00 C ATOM 613 O ASN A 42 -9.943 5.538 -2.309 1.00 0.00 O ATOM 614 CB ASN A 42 -12.411 4.336 -2.941 1.00 0.00 C ATOM 615 CG ASN A 42 -13.928 4.167 -2.874 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.508 4.168 -1.807 1.00 0.00 O ATOM 617 ND2 ASN A 42 -14.596 4.021 -3.982 1.00 0.00 N ATOM 0 H ASN A 42 -11.928 5.286 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.607 6.468 -2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.986 3.603 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.973 4.147 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.609 3.907 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.106 4.021 -4.877 1.00 0.00 H new ATOM 624 N ASN A 43 -9.934 6.530 -4.273 1.00 0.00 N ATOM 625 CA ASN A 43 -8.463 6.741 -4.222 1.00 0.00 C ATOM 626 C ASN A 43 -8.165 7.764 -3.142 1.00 0.00 C ATOM 627 O ASN A 43 -7.055 7.882 -2.672 1.00 0.00 O ATOM 628 CB ASN A 43 -7.960 7.272 -5.565 1.00 0.00 C ATOM 629 CG ASN A 43 -6.500 6.861 -5.762 1.00 0.00 C ATOM 630 OD1 ASN A 43 -6.046 5.891 -5.187 1.00 0.00 O ATOM 631 ND2 ASN A 43 -5.739 7.564 -6.556 1.00 0.00 N ATOM 0 H ASN A 43 -10.392 6.876 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.965 5.796 -4.006 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.572 6.878 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.050 8.358 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.764 7.299 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.120 8.378 -7.039 1.00 0.00 H new ATOM 638 N SER A 44 -9.150 8.507 -2.739 1.00 0.00 N ATOM 639 CA SER A 44 -8.908 9.510 -1.683 1.00 0.00 C ATOM 640 C SER A 44 -8.634 8.778 -0.381 1.00 0.00 C ATOM 641 O SER A 44 -8.132 9.351 0.566 1.00 0.00 O ATOM 642 CB SER A 44 -10.128 10.413 -1.524 1.00 0.00 C ATOM 643 OG SER A 44 -9.697 11.755 -1.338 1.00 0.00 O ATOM 0 H SER A 44 -10.105 8.462 -3.094 1.00 0.00 H new ATOM 0 HA SER A 44 -8.054 10.132 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.765 10.342 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.726 10.089 -0.672 1.00 0.00 H new ATOM 0 HG SER A 44 -10.478 12.338 -1.237 1.00 0.00 H new ATOM 649 N ARG A 45 -8.929 7.504 -0.319 1.00 0.00 N ATOM 650 CA ARG A 45 -8.634 6.776 0.938 1.00 0.00 C ATOM 651 C ARG A 45 -7.516 5.767 0.663 1.00 0.00 C ATOM 652 O ARG A 45 -6.952 5.188 1.568 1.00 0.00 O ATOM 653 CB ARG A 45 -9.906 6.100 1.493 1.00 0.00 C ATOM 654 CG ARG A 45 -9.796 4.575 1.430 1.00 0.00 C ATOM 655 CD ARG A 45 -11.154 3.949 1.734 1.00 0.00 C ATOM 656 NE ARG A 45 -11.761 4.627 2.915 1.00 0.00 N ATOM 657 CZ ARG A 45 -12.962 5.130 2.835 1.00 0.00 C ATOM 658 NH1 ARG A 45 -13.830 4.625 2.001 1.00 0.00 N ATOM 659 NH2 ARG A 45 -13.297 6.140 3.591 1.00 0.00 N ATOM 0 H ARG A 45 -9.351 6.953 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.298 7.472 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.067 6.413 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.774 6.428 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.455 4.266 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.054 4.224 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.811 4.043 0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.039 2.883 1.932 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.236 4.698 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.570 3.835 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.768 5.020 1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.620 6.535 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.236 6.534 3.529 1.00 0.00 H new ATOM 673 N ILE A 46 -7.183 5.568 -0.584 1.00 0.00 N ATOM 674 CA ILE A 46 -6.091 4.621 -0.916 1.00 0.00 C ATOM 675 C ILE A 46 -4.757 5.371 -0.845 1.00 0.00 C ATOM 676 O ILE A 46 -3.817 4.904 -0.249 1.00 0.00 O ATOM 677 CB ILE A 46 -6.338 4.041 -2.323 1.00 0.00 C ATOM 678 CG1 ILE A 46 -6.866 2.615 -2.175 1.00 0.00 C ATOM 679 CG2 ILE A 46 -5.043 4.017 -3.157 1.00 0.00 C ATOM 680 CD1 ILE A 46 -8.391 2.627 -2.213 1.00 0.00 C ATOM 0 H ILE A 46 -7.623 6.023 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.063 3.793 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.061 4.673 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.477 1.988 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.519 2.184 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.253 3.602 -4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.660 5.032 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.298 3.400 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.766 1.609 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.771 3.240 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.728 3.041 -3.163 1.00 0.00 H new ATOM 692 N LYS A 47 -4.670 6.537 -1.431 1.00 0.00 N ATOM 693 CA LYS A 47 -3.392 7.303 -1.371 1.00 0.00 C ATOM 694 C LYS A 47 -3.204 7.865 0.041 1.00 0.00 C ATOM 695 O LYS A 47 -2.206 8.488 0.346 1.00 0.00 O ATOM 696 CB LYS A 47 -3.429 8.448 -2.381 1.00 0.00 C ATOM 697 CG LYS A 47 -2.683 8.032 -3.651 1.00 0.00 C ATOM 698 CD LYS A 47 -1.687 9.126 -4.040 1.00 0.00 C ATOM 699 CE LYS A 47 -0.515 8.504 -4.801 1.00 0.00 C ATOM 700 NZ LYS A 47 0.096 7.424 -3.975 1.00 0.00 N ATOM 0 H LYS A 47 -5.425 6.989 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.560 6.642 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.461 8.703 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.971 9.340 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.159 7.091 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.391 7.865 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.179 9.876 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.325 9.636 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.859 8.098 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.229 9.266 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.124 7.407 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.098 7.604 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.311 6.507 -4.247 1.00 0.00 H new ATOM 714 N LEU A 48 -4.144 7.618 0.911 1.00 0.00 N ATOM 715 CA LEU A 48 -4.022 8.094 2.311 1.00 0.00 C ATOM 716 C LEU A 48 -3.701 6.871 3.151 1.00 0.00 C ATOM 717 O LEU A 48 -2.814 6.878 3.979 1.00 0.00 O ATOM 718 CB LEU A 48 -5.343 8.717 2.771 1.00 0.00 C ATOM 719 CG LEU A 48 -5.362 10.201 2.401 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.305 10.946 3.219 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.053 10.357 0.910 1.00 0.00 C ATOM 0 H LEU A 48 -4.999 7.101 0.706 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.247 8.854 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.182 8.203 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.458 8.598 3.848 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.347 10.616 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.319 12.003 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.522 10.834 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.320 10.532 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.066 11.414 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.068 9.942 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.805 9.827 0.325 1.00 0.00 H new ATOM 733 N GLY A 49 -4.389 5.795 2.889 1.00 0.00 N ATOM 734 CA GLY A 49 -4.100 4.535 3.611 1.00 0.00 C ATOM 735 C GLY A 49 -2.844 3.933 2.983 1.00 0.00 C ATOM 736 O GLY A 49 -2.281 2.977 3.478 1.00 0.00 O ATOM 0 H GLY A 49 -5.141 5.739 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.945 4.727 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.939 3.844 3.531 1.00 0.00 H new ATOM 740 N LEU A 50 -2.388 4.513 1.895 1.00 0.00 N ATOM 741 CA LEU A 50 -1.158 4.007 1.237 1.00 0.00 C ATOM 742 C LEU A 50 0.014 4.826 1.749 1.00 0.00 C ATOM 743 O LEU A 50 0.837 4.352 2.505 1.00 0.00 O ATOM 744 CB LEU A 50 -1.251 4.170 -0.281 1.00 0.00 C ATOM 745 CG LEU A 50 -0.139 3.359 -0.953 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.134 1.941 -0.398 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.394 3.305 -2.459 1.00 0.00 C ATOM 0 H LEU A 50 -2.822 5.316 1.440 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.031 2.948 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.225 3.833 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.161 5.222 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 50 0.823 3.832 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.658 1.365 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.040 1.972 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.096 1.469 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.395 2.729 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.357 2.831 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.403 4.317 -2.863 1.00 0.00 H new ATOM 759 N LYS A 51 0.079 6.072 1.370 1.00 0.00 N ATOM 760 CA LYS A 51 1.182 6.926 1.871 1.00 0.00 C ATOM 761 C LYS A 51 1.251 6.743 3.384 1.00 0.00 C ATOM 762 O LYS A 51 2.274 6.931 4.001 1.00 0.00 O ATOM 763 CB LYS A 51 0.895 8.392 1.539 1.00 0.00 C ATOM 764 CG LYS A 51 1.797 9.293 2.384 1.00 0.00 C ATOM 765 CD LYS A 51 1.034 9.765 3.624 1.00 0.00 C ATOM 766 CE LYS A 51 0.877 11.285 3.576 1.00 0.00 C ATOM 767 NZ LYS A 51 2.124 11.929 4.080 1.00 0.00 N ATOM 0 H LYS A 51 -0.580 6.530 0.740 1.00 0.00 H new ATOM 0 HA LYS A 51 2.127 6.647 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.069 8.577 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.152 8.622 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.694 8.750 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.124 10.151 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.055 9.288 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.569 9.472 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.675 11.608 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.025 11.593 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.018 12.963 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.298 11.629 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.927 11.644 3.484 1.00 0.00 H new ATOM 781 N SER A 52 0.153 6.370 3.980 1.00 0.00 N ATOM 782 CA SER A 52 0.137 6.164 5.450 1.00 0.00 C ATOM 783 C SER A 52 0.457 4.715 5.780 1.00 0.00 C ATOM 784 O SER A 52 1.162 4.458 6.716 1.00 0.00 O ATOM 785 CB SER A 52 -1.236 6.529 6.016 1.00 0.00 C ATOM 786 OG SER A 52 -1.550 7.869 5.660 1.00 0.00 O ATOM 0 H SER A 52 -0.735 6.199 3.509 1.00 0.00 H new ATOM 0 HA SER A 52 0.893 6.807 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.995 5.850 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.236 6.419 7.100 1.00 0.00 H new ATOM 0 HG SER A 52 -2.159 7.869 4.892 1.00 0.00 H new ATOM 792 N LEU A 53 -0.019 3.748 5.048 1.00 0.00 N ATOM 793 CA LEU A 53 0.355 2.364 5.439 1.00 0.00 C ATOM 794 C LEU A 53 1.841 2.163 5.150 1.00 0.00 C ATOM 795 O LEU A 53 2.626 1.871 6.029 1.00 0.00 O ATOM 796 CB LEU A 53 -0.461 1.335 4.666 1.00 0.00 C ATOM 797 CG LEU A 53 -0.059 -0.056 5.153 1.00 0.00 C ATOM 798 CD1 LEU A 53 -1.106 -0.587 6.128 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.051 -1.000 3.963 1.00 0.00 C ATOM 0 H LEU A 53 -0.623 3.847 4.232 1.00 0.00 H new ATOM 0 HA LEU A 53 0.149 2.226 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.527 1.499 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.278 1.431 3.596 1.00 0.00 H new ATOM 0 HG LEU A 53 0.904 0.007 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.813 -1.579 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.181 0.085 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.072 -0.647 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.338 -1.992 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.911 -1.058 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.805 -0.626 3.271 1.00 0.00 H new ATOM 811 N VAL A 54 2.226 2.318 3.918 1.00 0.00 N ATOM 812 CA VAL A 54 3.655 2.143 3.541 1.00 0.00 C ATOM 813 C VAL A 54 4.551 3.160 4.277 1.00 0.00 C ATOM 814 O VAL A 54 5.719 2.909 4.499 1.00 0.00 O ATOM 815 CB VAL A 54 3.756 2.322 2.021 1.00 0.00 C ATOM 816 CG1 VAL A 54 5.028 3.085 1.629 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.768 0.947 1.355 1.00 0.00 C ATOM 0 H VAL A 54 1.605 2.561 3.146 1.00 0.00 H new ATOM 0 HA VAL A 54 4.003 1.151 3.830 1.00 0.00 H new ATOM 0 HB VAL A 54 2.895 2.902 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.068 3.194 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.018 4.071 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.903 2.532 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.840 1.067 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.624 0.376 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.849 0.416 1.601 1.00 0.00 H new ATOM 827 N SER A 55 4.041 4.311 4.632 1.00 0.00 N ATOM 828 CA SER A 55 4.916 5.316 5.317 1.00 0.00 C ATOM 829 C SER A 55 4.582 5.438 6.811 1.00 0.00 C ATOM 830 O SER A 55 5.196 6.209 7.520 1.00 0.00 O ATOM 831 CB SER A 55 4.755 6.683 4.653 1.00 0.00 C ATOM 832 OG SER A 55 4.428 6.505 3.281 1.00 0.00 O ATOM 0 H SER A 55 3.074 4.598 4.482 1.00 0.00 H new ATOM 0 HA SER A 55 5.946 4.972 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.973 7.253 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.677 7.256 4.747 1.00 0.00 H new ATOM 0 HG SER A 55 3.592 6.975 3.080 1.00 0.00 H new ATOM 838 N LYS A 56 3.643 4.680 7.312 1.00 0.00 N ATOM 839 CA LYS A 56 3.334 4.774 8.774 1.00 0.00 C ATOM 840 C LYS A 56 4.260 3.821 9.503 1.00 0.00 C ATOM 841 O LYS A 56 4.850 4.146 10.514 1.00 0.00 O ATOM 842 CB LYS A 56 1.885 4.361 9.050 1.00 0.00 C ATOM 843 CG LYS A 56 1.696 4.081 10.544 1.00 0.00 C ATOM 844 CD LYS A 56 2.031 5.341 11.344 1.00 0.00 C ATOM 845 CE LYS A 56 1.952 5.033 12.840 1.00 0.00 C ATOM 846 NZ LYS A 56 0.540 5.162 13.299 1.00 0.00 N ATOM 0 H LYS A 56 3.083 4.010 6.785 1.00 0.00 H new ATOM 0 HA LYS A 56 3.471 5.801 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.206 5.151 8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.635 3.472 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.669 3.775 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.339 3.258 10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.030 5.693 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.336 6.141 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.318 4.025 13.035 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.591 5.718 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.485 4.953 14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.206 6.132 13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.058 4.492 12.775 1.00 0.00 H new ATOM 860 N GLY A 57 4.389 2.641 8.981 1.00 0.00 N ATOM 861 CA GLY A 57 5.283 1.641 9.627 1.00 0.00 C ATOM 862 C GLY A 57 4.834 0.219 9.284 1.00 0.00 C ATOM 863 O GLY A 57 5.620 -0.707 9.328 1.00 0.00 O ATOM 0 H GLY A 57 3.916 2.322 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.310 1.794 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.273 1.781 10.708 1.00 0.00 H new ATOM 867 N THR A 58 3.590 0.024 8.925 1.00 0.00 N ATOM 868 CA THR A 58 3.147 -1.347 8.568 1.00 0.00 C ATOM 869 C THR A 58 4.090 -1.846 7.488 1.00 0.00 C ATOM 870 O THR A 58 4.884 -2.728 7.705 1.00 0.00 O ATOM 871 CB THR A 58 1.714 -1.309 8.034 1.00 0.00 C ATOM 872 OG1 THR A 58 0.827 -0.951 9.085 1.00 0.00 O ATOM 873 CG2 THR A 58 1.333 -2.687 7.490 1.00 0.00 C ATOM 0 H THR A 58 2.874 0.748 8.866 1.00 0.00 H new ATOM 0 HA THR A 58 3.165 -2.004 9.437 1.00 0.00 H new ATOM 0 HB THR A 58 1.645 -0.573 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.091 -0.925 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.312 -2.659 7.110 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.013 -2.960 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.402 -3.425 8.289 1.00 0.00 H new ATOM 881 N LEU A 59 4.010 -1.254 6.334 1.00 0.00 N ATOM 882 CA LEU A 59 4.886 -1.624 5.208 1.00 0.00 C ATOM 883 C LEU A 59 5.991 -0.565 5.080 1.00 0.00 C ATOM 884 O LEU A 59 5.762 0.516 4.579 1.00 0.00 O ATOM 885 CB LEU A 59 4.010 -1.619 3.974 1.00 0.00 C ATOM 886 CG LEU A 59 4.807 -1.993 2.736 1.00 0.00 C ATOM 887 CD1 LEU A 59 5.480 -3.345 2.941 1.00 0.00 C ATOM 888 CD2 LEU A 59 3.857 -2.073 1.538 1.00 0.00 C ATOM 0 H LEU A 59 3.350 -0.505 6.124 1.00 0.00 H new ATOM 0 HA LEU A 59 5.354 -2.598 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.187 -2.321 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.569 -0.631 3.842 1.00 0.00 H new ATOM 0 HG LEU A 59 5.573 -1.239 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.050 -3.607 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.152 -3.291 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.721 -4.106 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.420 -2.341 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.095 -2.830 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.378 -1.105 1.388 1.00 0.00 H new ATOM 900 N VAL A 60 7.175 -0.841 5.556 1.00 0.00 N ATOM 901 CA VAL A 60 8.255 0.190 5.483 1.00 0.00 C ATOM 902 C VAL A 60 8.958 0.184 4.126 1.00 0.00 C ATOM 903 O VAL A 60 9.569 -0.786 3.722 1.00 0.00 O ATOM 904 CB VAL A 60 9.293 -0.065 6.573 1.00 0.00 C ATOM 905 CG1 VAL A 60 8.619 -0.002 7.942 1.00 0.00 C ATOM 906 CG2 VAL A 60 9.923 -1.444 6.364 1.00 0.00 C ATOM 0 H VAL A 60 7.442 -1.726 5.988 1.00 0.00 H new ATOM 0 HA VAL A 60 7.783 1.162 5.624 1.00 0.00 H new ATOM 0 HB VAL A 60 10.072 0.696 6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.360 -0.184 8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.177 0.984 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.839 -0.761 7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.664 -1.627 7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.148 -2.209 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.406 -1.479 5.387 1.00 0.00 H new ATOM 916 N GLN A 61 8.895 1.292 3.445 1.00 0.00 N ATOM 917 CA GLN A 61 9.575 1.427 2.123 1.00 0.00 C ATOM 918 C GLN A 61 10.775 2.362 2.297 1.00 0.00 C ATOM 919 O GLN A 61 11.331 2.469 3.371 1.00 0.00 O ATOM 920 CB GLN A 61 8.596 2.019 1.098 1.00 0.00 C ATOM 921 CG GLN A 61 8.284 3.468 1.490 1.00 0.00 C ATOM 922 CD GLN A 61 7.467 4.146 0.388 1.00 0.00 C ATOM 923 OE1 GLN A 61 7.731 3.885 -0.861 1.00 0.00 O flip ATOM 924 NE2 GLN A 61 6.575 4.921 0.669 1.00 0.00 N flip ATOM 0 H GLN A 61 8.393 2.125 3.752 1.00 0.00 H new ATOM 0 HA GLN A 61 9.908 0.452 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.029 1.984 0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.679 1.430 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.730 3.488 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.212 4.016 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.367 5.126 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.034 5.366 -0.072 1.00 0.00 H new ATOM 933 N THR A 62 11.182 3.041 1.262 1.00 0.00 N ATOM 934 CA THR A 62 12.345 3.963 1.400 1.00 0.00 C ATOM 935 C THR A 62 12.573 4.699 0.080 1.00 0.00 C ATOM 936 O THR A 62 13.644 4.660 -0.492 1.00 0.00 O ATOM 937 CB THR A 62 13.592 3.155 1.778 1.00 0.00 C ATOM 938 OG1 THR A 62 14.757 3.849 1.356 1.00 0.00 O ATOM 939 CG2 THR A 62 13.535 1.782 1.105 1.00 0.00 C ATOM 0 H THR A 62 10.764 2.999 0.333 1.00 0.00 H new ATOM 0 HA THR A 62 12.144 4.695 2.182 1.00 0.00 H new ATOM 0 HB THR A 62 13.625 3.025 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.795 3.858 0.377 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.422 1.208 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.644 1.250 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.499 1.908 0.023 1.00 0.00 H new ATOM 947 N LYS A 63 11.570 5.369 -0.414 1.00 0.00 N ATOM 948 CA LYS A 63 11.730 6.105 -1.699 1.00 0.00 C ATOM 949 C LYS A 63 12.449 7.433 -1.443 1.00 0.00 C ATOM 950 O LYS A 63 11.841 8.485 -1.419 1.00 0.00 O ATOM 951 CB LYS A 63 10.353 6.380 -2.307 1.00 0.00 C ATOM 952 CG LYS A 63 10.411 6.158 -3.819 1.00 0.00 C ATOM 953 CD LYS A 63 9.021 6.368 -4.420 1.00 0.00 C ATOM 954 CE LYS A 63 8.737 7.866 -4.539 1.00 0.00 C ATOM 955 NZ LYS A 63 7.282 8.114 -4.333 1.00 0.00 N ATOM 0 H LYS A 63 10.648 5.439 0.016 1.00 0.00 H new ATOM 0 HA LYS A 63 12.318 5.501 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.608 5.722 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.045 7.403 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.122 6.849 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.764 5.150 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.963 5.897 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.267 5.893 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.319 8.417 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.043 8.228 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.089 9.133 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.737 7.600 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.004 7.783 -3.387 1.00 0.00 H new ATOM 969 N GLY A 64 13.740 7.393 -1.256 1.00 0.00 N ATOM 970 CA GLY A 64 14.498 8.651 -1.006 1.00 0.00 C ATOM 971 C GLY A 64 15.469 8.895 -2.163 1.00 0.00 C ATOM 972 O GLY A 64 15.104 8.810 -3.319 1.00 0.00 O ATOM 0 H GLY A 64 14.303 6.542 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.810 9.491 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.045 8.579 -0.066 1.00 0.00 H new ATOM 976 N THR A 65 16.703 9.197 -1.865 1.00 0.00 N ATOM 977 CA THR A 65 17.689 9.444 -2.953 1.00 0.00 C ATOM 978 C THR A 65 18.723 8.314 -2.973 1.00 0.00 C ATOM 979 O THR A 65 19.426 8.126 -3.946 1.00 0.00 O ATOM 980 CB THR A 65 18.386 10.791 -2.717 1.00 0.00 C ATOM 981 OG1 THR A 65 18.852 11.305 -3.957 1.00 0.00 O ATOM 982 CG2 THR A 65 19.569 10.612 -1.760 1.00 0.00 C ATOM 0 H THR A 65 17.070 9.283 -0.917 1.00 0.00 H new ATOM 0 HA THR A 65 17.174 9.473 -3.913 1.00 0.00 H new ATOM 0 HB THR A 65 17.674 11.488 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.296 12.166 -3.808 1.00 0.00 H new ATOM 0 HG21 THR A 65 20.056 11.574 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.210 10.224 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 65 20.283 9.911 -2.192 1.00 0.00 H new ATOM 990 N GLY A 66 18.825 7.569 -1.901 1.00 0.00 N ATOM 991 CA GLY A 66 19.817 6.455 -1.853 1.00 0.00 C ATOM 992 C GLY A 66 19.834 5.739 -3.200 1.00 0.00 C ATOM 993 O GLY A 66 20.879 5.467 -3.758 1.00 0.00 O ATOM 0 H GLY A 66 18.263 7.685 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.808 6.845 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.557 5.755 -1.059 1.00 0.00 H new ATOM 997 N ALA A 67 18.679 5.448 -3.733 1.00 0.00 N ATOM 998 CA ALA A 67 18.613 4.764 -5.052 1.00 0.00 C ATOM 999 C ALA A 67 17.230 4.133 -5.223 1.00 0.00 C ATOM 1000 O ALA A 67 17.105 2.970 -5.552 1.00 0.00 O ATOM 1001 CB ALA A 67 19.683 3.672 -5.126 1.00 0.00 C ATOM 0 H ALA A 67 17.775 5.656 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 67 18.788 5.491 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 67 19.629 3.175 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 67 20.669 4.120 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.514 2.943 -4.334 1.00 0.00 H new ATOM 1007 N SER A 68 16.191 4.889 -4.998 1.00 0.00 N ATOM 1008 CA SER A 68 14.819 4.330 -5.144 1.00 0.00 C ATOM 1009 C SER A 68 14.518 3.406 -3.962 1.00 0.00 C ATOM 1010 O SER A 68 15.380 2.698 -3.480 1.00 0.00 O ATOM 1011 CB SER A 68 14.728 3.538 -6.449 1.00 0.00 C ATOM 1012 OG SER A 68 13.482 3.809 -7.078 1.00 0.00 O ATOM 0 H SER A 68 16.233 5.869 -4.719 1.00 0.00 H new ATOM 0 HA SER A 68 14.094 5.143 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.550 3.811 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.822 2.471 -6.247 1.00 0.00 H new ATOM 0 HG SER A 68 13.422 3.304 -7.916 1.00 0.00 H new ATOM 1018 N GLY A 69 13.303 3.412 -3.488 1.00 0.00 N ATOM 1019 CA GLY A 69 12.949 2.536 -2.334 1.00 0.00 C ATOM 1020 C GLY A 69 12.021 1.412 -2.800 1.00 0.00 C ATOM 1021 O GLY A 69 11.884 1.154 -3.979 1.00 0.00 O ATOM 0 H GLY A 69 12.540 3.985 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.853 2.115 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.461 3.124 -1.556 1.00 0.00 H new ATOM 1025 N SER A 70 11.383 0.742 -1.879 1.00 0.00 N ATOM 1026 CA SER A 70 10.463 -0.369 -2.257 1.00 0.00 C ATOM 1027 C SER A 70 9.805 -0.928 -0.992 1.00 0.00 C ATOM 1028 O SER A 70 10.341 -1.801 -0.338 1.00 0.00 O ATOM 1029 CB SER A 70 11.260 -1.474 -2.951 1.00 0.00 C ATOM 1030 OG SER A 70 10.626 -1.809 -4.178 1.00 0.00 O ATOM 0 H SER A 70 11.460 0.917 -0.877 1.00 0.00 H new ATOM 0 HA SER A 70 9.695 0.002 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.281 -1.141 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.322 -2.352 -2.308 1.00 0.00 H new ATOM 0 HG SER A 70 10.461 -0.993 -4.694 1.00 0.00 H new ATOM 1036 N PHE A 71 8.654 -0.416 -0.635 1.00 0.00 N ATOM 1037 CA PHE A 71 7.961 -0.901 0.604 1.00 0.00 C ATOM 1038 C PHE A 71 8.119 -2.410 0.748 1.00 0.00 C ATOM 1039 O PHE A 71 7.442 -3.184 0.101 1.00 0.00 O ATOM 1040 CB PHE A 71 6.460 -0.575 0.587 1.00 0.00 C ATOM 1041 CG PHE A 71 6.067 0.125 -0.680 1.00 0.00 C ATOM 1042 CD1 PHE A 71 6.124 1.519 -0.751 1.00 0.00 C ATOM 1043 CD2 PHE A 71 5.645 -0.618 -1.783 1.00 0.00 C ATOM 1044 CE1 PHE A 71 5.763 2.167 -1.924 1.00 0.00 C ATOM 1045 CE2 PHE A 71 5.281 0.037 -2.955 1.00 0.00 C ATOM 1046 CZ PHE A 71 5.343 1.425 -3.020 1.00 0.00 C ATOM 0 H PHE A 71 8.162 0.317 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 71 8.427 -0.386 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.885 -1.495 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.213 0.053 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.448 2.091 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.601 -1.696 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.809 3.244 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.951 -0.531 -3.812 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.062 1.931 -3.932 1.00 0.00 H new ATOM 1056 N ARG A 72 8.986 -2.832 1.622 1.00 0.00 N ATOM 1057 CA ARG A 72 9.164 -4.289 1.845 1.00 0.00 C ATOM 1058 C ARG A 72 8.241 -4.684 2.993 1.00 0.00 C ATOM 1059 O ARG A 72 7.292 -5.421 2.818 1.00 0.00 O ATOM 1060 CB ARG A 72 10.618 -4.580 2.219 1.00 0.00 C ATOM 1061 CG ARG A 72 11.324 -5.247 1.037 1.00 0.00 C ATOM 1062 CD ARG A 72 11.893 -4.173 0.107 1.00 0.00 C ATOM 1063 NE ARG A 72 13.179 -4.652 -0.471 1.00 0.00 N ATOM 1064 CZ ARG A 72 14.195 -3.839 -0.574 1.00 0.00 C ATOM 1065 NH1 ARG A 72 13.996 -2.566 -0.785 1.00 0.00 N ATOM 1066 NH2 ARG A 72 15.410 -4.300 -0.462 1.00 0.00 N ATOM 0 H ARG A 72 9.579 -2.229 2.192 1.00 0.00 H new ATOM 0 HA ARG A 72 8.924 -4.855 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.128 -3.655 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.657 -5.230 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.125 -5.893 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.624 -5.880 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.183 -3.953 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.052 -3.246 0.658 1.00 0.00 H new ATOM 0 HE ARG A 72 13.266 -5.618 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.046 -2.206 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.791 -1.932 -0.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.565 -5.294 -0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.205 -3.666 -0.542 1.00 0.00 H new ATOM 1080 N LEU A 73 8.498 -4.146 4.156 1.00 0.00 N ATOM 1081 CA LEU A 73 7.634 -4.419 5.341 1.00 0.00 C ATOM 1082 C LEU A 73 8.400 -4.014 6.600 1.00 0.00 C ATOM 1083 O LEU A 73 9.613 -4.068 6.644 1.00 0.00 O ATOM 1084 CB LEU A 73 7.235 -5.910 5.432 1.00 0.00 C ATOM 1085 CG LEU A 73 5.698 -6.104 5.610 1.00 0.00 C ATOM 1086 CD1 LEU A 73 4.989 -4.819 6.028 1.00 0.00 C ATOM 1087 CD2 LEU A 73 5.076 -6.563 4.303 1.00 0.00 C ATOM 0 H LEU A 73 9.282 -3.519 4.337 1.00 0.00 H new ATOM 0 HA LEU A 73 6.715 -3.842 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.562 -6.426 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.756 -6.372 6.270 1.00 0.00 H new ATOM 0 HG LEU A 73 5.573 -6.849 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.922 -5.011 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.395 -4.472 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.144 -4.054 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.003 -6.696 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.255 -5.814 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.523 -7.510 4.000 1.00 0.00 H new ATOM 1099 N SER A 74 7.704 -3.585 7.615 1.00 0.00 N ATOM 1100 CA SER A 74 8.383 -3.151 8.853 1.00 0.00 C ATOM 1101 C SER A 74 9.508 -4.127 9.203 1.00 0.00 C ATOM 1102 O SER A 74 10.669 -3.858 8.975 1.00 0.00 O ATOM 1103 CB SER A 74 7.375 -3.099 10.000 1.00 0.00 C ATOM 1104 OG SER A 74 6.210 -3.825 9.634 1.00 0.00 O ATOM 0 H SER A 74 6.686 -3.518 7.634 1.00 0.00 H new ATOM 0 HA SER A 74 8.807 -2.159 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.813 -3.523 10.904 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.117 -2.064 10.226 1.00 0.00 H new ATOM 0 HG SER A 74 5.553 -3.213 9.241 1.00 0.00 H new ATOM 1110 N LYS A 75 9.172 -5.260 9.760 1.00 0.00 N ATOM 1111 CA LYS A 75 10.224 -6.251 10.125 1.00 0.00 C ATOM 1112 C LYS A 75 11.370 -5.535 10.841 1.00 0.00 C ATOM 1113 O LYS A 75 11.132 -4.465 11.377 1.00 0.00 O ATOM 1114 CB LYS A 75 10.753 -6.920 8.855 1.00 0.00 C ATOM 1115 CG LYS A 75 9.631 -7.729 8.202 1.00 0.00 C ATOM 1116 CD LYS A 75 9.290 -8.931 9.085 1.00 0.00 C ATOM 1117 CE LYS A 75 7.772 -9.114 9.134 1.00 0.00 C ATOM 1118 NZ LYS A 75 7.215 -8.341 10.280 1.00 0.00 N ATOM 1119 OXT LYS A 75 12.467 -6.069 10.843 1.00 0.00 O ATOM 0 H LYS A 75 8.216 -5.541 9.977 1.00 0.00 H new ATOM 0 HA LYS A 75 9.800 -7.008 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.124 -6.166 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.593 -7.571 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.749 -7.103 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.940 -8.067 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.763 -9.831 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.681 -8.779 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.324 -8.774 8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.526 -10.170 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.190 -8.506 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.671 -8.650 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.394 -7.327 10.135 1.00 0.00 H new TER 1133 LYS A 75