USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 548 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 4 THR OG1 : rot -114:sc= 0.433! USER MOD Set 1.2: A 46 THR OG1 : rot 101:sc= -3.17! USER MOD Set 2.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 12 MET CE :methyl -107:sc= -9.87! (180deg=-18.1!) USER MOD Single : A 13 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.015 USER MOD Single : A 20 THR OG1 : rot 113:sc= 0.787 USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.321 (180deg=-1.62!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0775) USER MOD Single : A 32 SER OG : rot 129:sc= 0.058 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0283) USER MOD Single : A 58 THR OG1 : rot 121:sc= -0.39 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -160:sc= -6.72! USER MOD Single : A 66 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 68 SER OG : rot -109:sc= -9.14! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 148:sc=-0.00632 (180deg=-0.641) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.233 2.539 0.699 1.00 0.00 N ATOM 2 CA ALA A 1 17.199 1.539 0.304 1.00 0.00 C ATOM 3 C ALA A 1 16.077 1.503 1.340 1.00 0.00 C ATOM 4 O ALA A 1 15.752 0.466 1.874 1.00 0.00 O ATOM 5 CB ALA A 1 17.932 0.202 0.276 1.00 0.00 C ATOM 0 H1 ALA A 1 18.991 2.555 -0.013 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.798 3.482 0.762 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.632 2.279 1.624 1.00 0.00 H new ATOM 0 HA ALA A 1 16.743 1.778 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.237 -0.588 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.745 0.248 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.339 -0.010 1.264 1.00 0.00 H new ATOM 13 N THR A 2 15.485 2.628 1.617 1.00 0.00 N ATOM 14 CA THR A 2 14.388 2.698 2.600 1.00 0.00 C ATOM 15 C THR A 2 13.480 3.852 2.198 1.00 0.00 C ATOM 16 O THR A 2 13.674 4.979 2.609 1.00 0.00 O ATOM 17 CB THR A 2 15.063 2.998 3.928 1.00 0.00 C ATOM 18 OG1 THR A 2 16.409 3.395 3.705 1.00 0.00 O ATOM 19 CG2 THR A 2 15.032 1.754 4.809 1.00 0.00 C ATOM 0 H THR A 2 15.727 3.521 1.188 1.00 0.00 H new ATOM 0 HA THR A 2 13.794 1.786 2.657 1.00 0.00 H new ATOM 0 HB THR A 2 14.531 3.807 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.839 3.589 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.516 1.970 5.761 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.998 1.460 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.560 0.941 4.310 1.00 0.00 H new ATOM 27 N GLN A 3 12.522 3.593 1.367 1.00 0.00 N ATOM 28 CA GLN A 3 11.636 4.702 0.901 1.00 0.00 C ATOM 29 C GLN A 3 10.226 4.577 1.475 1.00 0.00 C ATOM 30 O GLN A 3 9.776 3.510 1.838 1.00 0.00 O ATOM 31 CB GLN A 3 11.592 4.579 -0.627 1.00 0.00 C ATOM 32 CG GLN A 3 12.967 4.172 -1.168 1.00 0.00 C ATOM 33 CD GLN A 3 13.382 5.131 -2.285 1.00 0.00 C ATOM 34 OE1 GLN A 3 12.639 5.354 -3.220 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.549 5.712 -2.228 1.00 0.00 N ATOM 0 H GLN A 3 12.308 2.671 0.987 1.00 0.00 H new ATOM 0 HA GLN A 3 12.019 5.668 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.846 3.839 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.287 5.529 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.705 4.191 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.933 3.150 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.174 5.526 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.836 6.353 -2.968 1.00 0.00 H new ATOM 44 N THR A 4 9.523 5.672 1.540 1.00 0.00 N ATOM 45 CA THR A 4 8.133 5.649 2.069 1.00 0.00 C ATOM 46 C THR A 4 7.231 6.477 1.153 1.00 0.00 C ATOM 47 O THR A 4 7.600 7.546 0.708 1.00 0.00 O ATOM 48 CB THR A 4 8.225 6.291 3.452 1.00 0.00 C ATOM 49 OG1 THR A 4 9.266 5.668 4.189 1.00 0.00 O ATOM 50 CG2 THR A 4 6.895 6.115 4.188 1.00 0.00 C ATOM 0 H THR A 4 9.856 6.590 1.246 1.00 0.00 H new ATOM 0 HA THR A 4 7.716 4.643 2.120 1.00 0.00 H new ATOM 0 HB THR A 4 8.439 7.355 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.883 5.180 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.962 6.573 5.175 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.098 6.593 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.677 5.053 4.296 1.00 0.00 H new ATOM 58 N VAL A 5 6.060 5.993 0.860 1.00 0.00 N ATOM 59 CA VAL A 5 5.147 6.753 -0.037 1.00 0.00 C ATOM 60 C VAL A 5 3.697 6.526 0.367 1.00 0.00 C ATOM 61 O VAL A 5 3.392 5.731 1.233 1.00 0.00 O ATOM 62 CB VAL A 5 5.410 6.190 -1.432 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.846 6.508 -1.846 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.209 4.674 -1.417 1.00 0.00 C ATOM 0 H VAL A 5 5.694 5.104 1.202 1.00 0.00 H new ATOM 0 HA VAL A 5 5.322 7.828 0.011 1.00 0.00 H new ATOM 0 HB VAL A 5 4.717 6.641 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.035 6.107 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.991 7.588 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.538 6.056 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.397 4.272 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.902 4.222 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.185 4.446 -1.121 1.00 0.00 H new ATOM 74 N THR A 6 2.804 7.211 -0.276 1.00 0.00 N ATOM 75 CA THR A 6 1.366 7.041 0.030 1.00 0.00 C ATOM 76 C THR A 6 0.715 6.332 -1.143 1.00 0.00 C ATOM 77 O THR A 6 1.274 6.269 -2.220 1.00 0.00 O ATOM 78 CB THR A 6 0.807 8.457 0.200 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.500 8.385 0.752 1.00 0.00 O ATOM 80 CG2 THR A 6 0.751 9.155 -1.160 1.00 0.00 C ATOM 0 H THR A 6 3.012 7.889 -1.009 1.00 0.00 H new ATOM 0 HA THR A 6 1.182 6.450 0.927 1.00 0.00 H new ATOM 0 HB THR A 6 1.454 9.024 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.859 9.290 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.353 10.162 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.754 9.211 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.106 8.590 -1.833 1.00 0.00 H new ATOM 88 N LEU A 7 -0.443 5.783 -0.963 1.00 0.00 N ATOM 89 CA LEU A 7 -1.074 5.073 -2.099 1.00 0.00 C ATOM 90 C LEU A 7 -2.515 5.519 -2.290 1.00 0.00 C ATOM 91 O LEU A 7 -3.261 5.706 -1.348 1.00 0.00 O ATOM 92 CB LEU A 7 -0.999 3.589 -1.740 1.00 0.00 C ATOM 93 CG LEU A 7 0.040 2.917 -2.638 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.323 3.738 -2.636 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.346 1.508 -2.124 1.00 0.00 C ATOM 0 H LEU A 7 -0.975 5.793 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.567 5.286 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.727 3.468 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.973 3.119 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.357 2.853 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.063 3.258 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.114 4.740 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.711 3.804 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.087 1.038 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.737 1.568 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.567 0.913 -2.127 1.00 0.00 H new ATOM 107 N ALA A 8 -2.902 5.687 -3.516 1.00 0.00 N ATOM 108 CA ALA A 8 -4.298 6.122 -3.813 1.00 0.00 C ATOM 109 C ALA A 8 -5.053 4.994 -4.517 1.00 0.00 C ATOM 110 O ALA A 8 -4.988 4.849 -5.721 1.00 0.00 O ATOM 111 CB ALA A 8 -4.148 7.329 -4.740 1.00 0.00 C ATOM 0 H ALA A 8 -2.312 5.542 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.859 6.371 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.135 7.709 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.583 8.110 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.619 7.029 -5.645 1.00 0.00 H new ATOM 117 N VAL A 9 -5.759 4.184 -3.776 1.00 0.00 N ATOM 118 CA VAL A 9 -6.501 3.057 -4.419 1.00 0.00 C ATOM 119 C VAL A 9 -8.018 3.221 -4.250 1.00 0.00 C ATOM 120 O VAL A 9 -8.555 2.932 -3.202 1.00 0.00 O ATOM 121 CB VAL A 9 -6.004 1.791 -3.704 1.00 0.00 C ATOM 122 CG1 VAL A 9 -5.832 2.065 -2.209 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.015 0.655 -3.897 1.00 0.00 C ATOM 0 H VAL A 9 -5.855 4.250 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.321 3.018 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.043 1.502 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.479 1.161 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.105 2.865 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.789 2.365 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.658 -0.240 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.978 0.950 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.129 0.446 -4.961 1.00 0.00 H new ATOM 133 N PRO A 10 -8.666 3.679 -5.298 1.00 0.00 N ATOM 134 CA PRO A 10 -10.135 3.874 -5.269 1.00 0.00 C ATOM 135 C PRO A 10 -10.873 2.532 -5.396 1.00 0.00 C ATOM 136 O PRO A 10 -12.083 2.491 -5.490 1.00 0.00 O ATOM 137 CB PRO A 10 -10.372 4.740 -6.509 1.00 0.00 C ATOM 138 CG PRO A 10 -9.075 4.767 -7.342 1.00 0.00 C ATOM 139 CD PRO A 10 -7.974 4.040 -6.558 1.00 0.00 C ATOM 0 HA PRO A 10 -10.497 4.320 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.194 4.337 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.655 5.751 -6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.235 4.284 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.778 5.796 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.611 3.160 -7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.112 4.682 -6.378 1.00 0.00 H new ATOM 147 N GLY A 11 -10.159 1.436 -5.400 1.00 0.00 N ATOM 148 CA GLY A 11 -10.832 0.109 -5.521 1.00 0.00 C ATOM 149 C GLY A 11 -11.346 -0.329 -4.149 1.00 0.00 C ATOM 150 O GLY A 11 -11.797 -1.442 -3.969 1.00 0.00 O ATOM 0 H GLY A 11 -9.142 1.403 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.659 0.172 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.134 -0.631 -5.913 1.00 0.00 H new ATOM 154 N MET A 12 -11.280 0.541 -3.182 1.00 0.00 N ATOM 155 CA MET A 12 -11.760 0.188 -1.818 1.00 0.00 C ATOM 156 C MET A 12 -12.503 1.379 -1.205 1.00 0.00 C ATOM 157 O MET A 12 -12.301 2.514 -1.590 1.00 0.00 O ATOM 158 CB MET A 12 -10.492 -0.118 -1.026 1.00 0.00 C ATOM 159 CG MET A 12 -9.537 1.069 -1.131 1.00 0.00 C ATOM 160 SD MET A 12 -7.866 0.543 -0.692 1.00 0.00 S ATOM 161 CE MET A 12 -7.790 1.423 0.882 1.00 0.00 C ATOM 0 H MET A 12 -10.912 1.487 -3.278 1.00 0.00 H new ATOM 0 HA MET A 12 -12.452 -0.654 -1.821 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.738 -0.311 0.018 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.016 -1.019 -1.413 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.549 1.469 -2.145 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.863 1.871 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.128 2.284 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.789 1.762 1.158 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.407 0.755 1.654 1.00 0.00 H new ATOM 171 N THR A 13 -13.361 1.129 -0.258 1.00 0.00 N ATOM 172 CA THR A 13 -14.119 2.244 0.378 1.00 0.00 C ATOM 173 C THR A 13 -15.072 1.689 1.440 1.00 0.00 C ATOM 174 O THR A 13 -16.190 2.143 1.584 1.00 0.00 O ATOM 175 CB THR A 13 -14.902 2.891 -0.767 1.00 0.00 C ATOM 176 OG1 THR A 13 -15.808 3.849 -0.239 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.678 1.816 -1.528 1.00 0.00 C ATOM 0 H THR A 13 -13.572 0.199 0.105 1.00 0.00 H new ATOM 0 HA THR A 13 -13.468 2.960 0.879 1.00 0.00 H new ATOM 0 HB THR A 13 -14.208 3.385 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.382 3.422 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.235 2.278 -2.343 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.981 1.083 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.372 1.319 -0.850 1.00 0.00 H new ATOM 185 N CYS A 14 -14.640 0.706 2.183 1.00 0.00 N ATOM 186 CA CYS A 14 -15.528 0.122 3.232 1.00 0.00 C ATOM 187 C CYS A 14 -14.729 -0.842 4.121 1.00 0.00 C ATOM 188 O CYS A 14 -13.547 -1.024 3.946 1.00 0.00 O ATOM 189 CB CYS A 14 -16.649 -0.592 2.440 1.00 0.00 C ATOM 190 SG CYS A 14 -16.471 -2.402 2.490 1.00 0.00 S ATOM 0 H CYS A 14 -13.715 0.283 2.111 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.945 0.867 3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.619 -0.311 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.632 -0.254 1.404 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.436 -2.952 1.814 1.00 0.00 H new ATOM 195 N ALA A 15 -15.365 -1.467 5.070 1.00 0.00 N ATOM 196 CA ALA A 15 -14.622 -2.417 5.946 1.00 0.00 C ATOM 197 C ALA A 15 -14.439 -3.755 5.223 1.00 0.00 C ATOM 198 O ALA A 15 -15.121 -4.719 5.508 1.00 0.00 O ATOM 199 CB ALA A 15 -15.503 -2.591 7.183 1.00 0.00 C ATOM 0 H ALA A 15 -16.358 -1.364 5.277 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.628 -2.053 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.022 -3.279 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.644 -1.625 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.472 -2.993 6.886 1.00 0.00 H new ATOM 205 N ALA A 16 -13.527 -3.826 4.286 1.00 0.00 N ATOM 206 CA ALA A 16 -13.322 -5.110 3.555 1.00 0.00 C ATOM 207 C ALA A 16 -12.214 -4.982 2.500 1.00 0.00 C ATOM 208 O ALA A 16 -11.310 -5.792 2.444 1.00 0.00 O ATOM 209 CB ALA A 16 -14.663 -5.393 2.878 1.00 0.00 C ATOM 0 H ALA A 16 -12.921 -3.057 3.999 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.013 -5.909 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.598 -6.325 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.442 -5.480 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.907 -4.576 2.199 1.00 0.00 H new ATOM 215 N CYS A 17 -12.282 -3.991 1.648 1.00 0.00 N ATOM 216 CA CYS A 17 -11.231 -3.851 0.589 1.00 0.00 C ATOM 217 C CYS A 17 -10.060 -2.981 1.067 1.00 0.00 C ATOM 218 O CYS A 17 -8.920 -3.339 0.867 1.00 0.00 O ATOM 219 CB CYS A 17 -11.926 -3.208 -0.623 1.00 0.00 C ATOM 220 SG CYS A 17 -13.582 -3.912 -0.843 1.00 0.00 S ATOM 0 H CYS A 17 -13.011 -3.278 1.637 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.805 -4.823 0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.998 -2.130 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.331 -3.372 -1.522 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.157 -3.357 -1.869 1.00 0.00 H new ATOM 225 N PRO A 18 -10.355 -1.864 1.676 1.00 0.00 N ATOM 226 CA PRO A 18 -9.276 -0.973 2.165 1.00 0.00 C ATOM 227 C PRO A 18 -8.387 -1.701 3.170 1.00 0.00 C ATOM 228 O PRO A 18 -7.219 -1.912 2.941 1.00 0.00 O ATOM 229 CB PRO A 18 -10.064 0.142 2.831 1.00 0.00 C ATOM 230 CG PRO A 18 -11.519 0.029 2.381 1.00 0.00 C ATOM 231 CD PRO A 18 -11.746 -1.412 1.912 1.00 0.00 C ATOM 0 HA PRO A 18 -8.600 -0.623 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.994 0.062 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.655 1.114 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.194 0.276 3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.726 0.732 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.252 -2.015 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.352 -1.459 1.007 1.00 0.00 H new ATOM 239 N ILE A 19 -8.925 -2.077 4.287 1.00 0.00 N ATOM 240 CA ILE A 19 -8.100 -2.805 5.295 1.00 0.00 C ATOM 241 C ILE A 19 -7.268 -3.906 4.610 1.00 0.00 C ATOM 242 O ILE A 19 -6.206 -4.283 5.076 1.00 0.00 O ATOM 243 CB ILE A 19 -9.116 -3.446 6.233 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.813 -2.365 7.060 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.400 -4.422 7.164 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.725 -3.025 8.096 1.00 0.00 C ATOM 0 H ILE A 19 -9.897 -1.916 4.552 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.405 -2.143 5.811 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.862 -3.982 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.073 -1.739 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.396 -1.713 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.125 -4.882 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.911 -5.196 6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.653 -3.885 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.222 -2.255 8.686 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.474 -3.632 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.130 -3.658 8.754 1.00 0.00 H new ATOM 258 N THR A 20 -7.739 -4.429 3.507 1.00 0.00 N ATOM 259 CA THR A 20 -6.975 -5.499 2.807 1.00 0.00 C ATOM 260 C THR A 20 -5.730 -4.887 2.191 1.00 0.00 C ATOM 261 O THR A 20 -4.662 -5.466 2.196 1.00 0.00 O ATOM 262 CB THR A 20 -7.918 -6.025 1.722 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.102 -6.521 2.331 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.227 -7.151 0.955 1.00 0.00 C ATOM 0 H THR A 20 -8.618 -4.161 3.064 1.00 0.00 H new ATOM 0 HA THR A 20 -6.656 -6.302 3.472 1.00 0.00 H new ATOM 0 HB THR A 20 -8.173 -5.220 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.861 -5.954 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.896 -7.528 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.316 -6.771 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.976 -7.959 1.642 1.00 0.00 H new ATOM 272 N VAL A 21 -5.865 -3.703 1.682 1.00 0.00 N ATOM 273 CA VAL A 21 -4.705 -3.015 1.086 1.00 0.00 C ATOM 274 C VAL A 21 -3.642 -2.850 2.159 1.00 0.00 C ATOM 275 O VAL A 21 -2.462 -2.784 1.880 1.00 0.00 O ATOM 276 CB VAL A 21 -5.230 -1.646 0.640 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.055 -0.692 0.407 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.027 -1.796 -0.656 1.00 0.00 C ATOM 0 H VAL A 21 -6.740 -3.179 1.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.267 -3.561 0.250 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.877 -1.241 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.433 0.280 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.490 -0.578 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.404 -1.098 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.399 -0.820 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.383 -2.206 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.869 -2.468 -0.490 1.00 0.00 H new ATOM 288 N LYS A 22 -4.058 -2.802 3.395 1.00 0.00 N ATOM 289 CA LYS A 22 -3.081 -2.654 4.490 1.00 0.00 C ATOM 290 C LYS A 22 -2.320 -3.957 4.639 1.00 0.00 C ATOM 291 O LYS A 22 -1.116 -3.974 4.789 1.00 0.00 O ATOM 292 CB LYS A 22 -3.906 -2.367 5.747 1.00 0.00 C ATOM 293 CG LYS A 22 -3.007 -2.457 6.985 1.00 0.00 C ATOM 294 CD LYS A 22 -2.657 -1.051 7.472 1.00 0.00 C ATOM 295 CE LYS A 22 -1.957 -1.145 8.830 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.958 -1.770 9.742 1.00 0.00 N ATOM 0 H LYS A 22 -5.034 -2.860 3.686 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.360 -1.858 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.354 -1.375 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.725 -3.082 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.515 -3.010 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.097 -3.006 6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.009 -0.554 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.561 -0.448 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.052 -1.749 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.658 -0.160 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.837 -1.390 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.918 -1.556 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.818 -2.800 9.757 1.00 0.00 H new ATOM 310 N LYS A 23 -3.015 -5.055 4.593 1.00 0.00 N ATOM 311 CA LYS A 23 -2.315 -6.353 4.726 1.00 0.00 C ATOM 312 C LYS A 23 -1.405 -6.573 3.520 1.00 0.00 C ATOM 313 O LYS A 23 -0.408 -7.264 3.592 1.00 0.00 O ATOM 314 CB LYS A 23 -3.414 -7.414 4.783 1.00 0.00 C ATOM 315 CG LYS A 23 -2.782 -8.806 4.703 1.00 0.00 C ATOM 316 CD LYS A 23 -1.616 -8.899 5.690 1.00 0.00 C ATOM 317 CE LYS A 23 -1.725 -10.200 6.490 1.00 0.00 C ATOM 318 NZ LYS A 23 -2.026 -9.770 7.884 1.00 0.00 N ATOM 0 H LYS A 23 -4.026 -5.108 4.470 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.686 -6.394 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.984 -7.314 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.114 -7.273 3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.527 -9.568 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.430 -8.999 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.668 -8.869 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.628 -8.043 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.513 -10.841 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.797 -10.771 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.115 -10.608 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.255 -9.167 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.918 -9.235 7.897 1.00 0.00 H new ATOM 332 N ALA A 24 -1.749 -5.985 2.413 1.00 0.00 N ATOM 333 CA ALA A 24 -0.926 -6.143 1.186 1.00 0.00 C ATOM 334 C ALA A 24 0.445 -5.481 1.361 1.00 0.00 C ATOM 335 O ALA A 24 1.469 -6.067 1.069 1.00 0.00 O ATOM 336 CB ALA A 24 -1.721 -5.442 0.084 1.00 0.00 C ATOM 0 H ALA A 24 -2.574 -5.395 2.304 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.737 -7.192 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.178 -5.514 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.696 -5.919 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.857 -4.392 0.345 1.00 0.00 H new ATOM 342 N LEU A 25 0.475 -4.262 1.827 1.00 0.00 N ATOM 343 CA LEU A 25 1.787 -3.568 2.009 1.00 0.00 C ATOM 344 C LEU A 25 2.535 -4.152 3.205 1.00 0.00 C ATOM 345 O LEU A 25 3.732 -4.357 3.166 1.00 0.00 O ATOM 346 CB LEU A 25 1.439 -2.108 2.295 1.00 0.00 C ATOM 347 CG LEU A 25 0.389 -1.610 1.307 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.737 -0.940 2.089 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.025 -0.595 0.354 1.00 0.00 C ATOM 0 H LEU A 25 -0.346 -3.717 2.089 1.00 0.00 H new ATOM 0 HA LEU A 25 2.423 -3.681 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.065 -2.009 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.336 -1.493 2.224 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.005 -2.445 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.496 -0.578 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.184 -1.661 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.336 -0.101 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.275 -0.239 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.413 0.248 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.840 -1.070 -0.192 1.00 0.00 H new ATOM 361 N SER A 26 1.833 -4.417 4.269 1.00 0.00 N ATOM 362 CA SER A 26 2.486 -4.981 5.477 1.00 0.00 C ATOM 363 C SER A 26 3.083 -6.335 5.138 1.00 0.00 C ATOM 364 O SER A 26 4.009 -6.796 5.775 1.00 0.00 O ATOM 365 CB SER A 26 1.367 -5.125 6.508 1.00 0.00 C ATOM 366 OG SER A 26 1.883 -4.841 7.802 1.00 0.00 O ATOM 0 H SER A 26 0.828 -4.265 4.353 1.00 0.00 H new ATOM 0 HA SER A 26 3.293 -4.353 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.549 -4.444 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.959 -6.135 6.480 1.00 0.00 H new ATOM 0 HG SER A 26 1.168 -4.931 8.466 1.00 0.00 H new ATOM 372 N LYS A 27 2.564 -6.980 4.132 1.00 0.00 N ATOM 373 CA LYS A 27 3.118 -8.301 3.762 1.00 0.00 C ATOM 374 C LYS A 27 3.597 -8.292 2.302 1.00 0.00 C ATOM 375 O LYS A 27 3.958 -9.314 1.755 1.00 0.00 O ATOM 376 CB LYS A 27 1.969 -9.303 4.003 1.00 0.00 C ATOM 377 CG LYS A 27 1.402 -9.836 2.678 1.00 0.00 C ATOM 378 CD LYS A 27 0.848 -8.673 1.855 1.00 0.00 C ATOM 379 CE LYS A 27 1.345 -8.779 0.411 1.00 0.00 C ATOM 380 NZ LYS A 27 0.571 -9.905 -0.182 1.00 0.00 N ATOM 0 H LYS A 27 1.788 -6.650 3.558 1.00 0.00 H new ATOM 0 HA LYS A 27 3.994 -8.572 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.331 -10.135 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.175 -8.819 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.182 -10.352 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.615 -10.564 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.242 -8.686 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.164 -7.725 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.173 -7.851 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.417 -8.975 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.222 -10.669 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.112 -10.263 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.061 -9.570 -1.024 1.00 0.00 H new ATOM 394 N VAL A 28 3.602 -7.150 1.667 1.00 0.00 N ATOM 395 CA VAL A 28 4.054 -7.099 0.247 1.00 0.00 C ATOM 396 C VAL A 28 5.413 -7.789 0.092 1.00 0.00 C ATOM 397 O VAL A 28 5.594 -8.606 -0.785 1.00 0.00 O ATOM 398 CB VAL A 28 4.151 -5.611 -0.103 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.182 -4.929 0.796 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.577 -5.461 -1.566 1.00 0.00 C ATOM 0 H VAL A 28 3.315 -6.257 2.067 1.00 0.00 H new ATOM 0 HA VAL A 28 3.363 -7.618 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 28 3.178 -5.144 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.245 -3.871 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.881 -5.033 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.156 -5.396 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.647 -4.403 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.548 -5.934 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.840 -5.940 -2.211 1.00 0.00 H new ATOM 410 N GLU A 29 6.363 -7.475 0.940 1.00 0.00 N ATOM 411 CA GLU A 29 7.708 -8.122 0.844 1.00 0.00 C ATOM 412 C GLU A 29 8.736 -7.369 1.697 1.00 0.00 C ATOM 413 O GLU A 29 9.014 -7.736 2.821 1.00 0.00 O ATOM 414 CB GLU A 29 8.099 -8.044 -0.632 1.00 0.00 C ATOM 415 CG GLU A 29 7.928 -9.420 -1.274 1.00 0.00 C ATOM 416 CD GLU A 29 9.256 -9.883 -1.875 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.275 -9.310 -1.526 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.231 -10.805 -2.674 1.00 0.00 O ATOM 0 H GLU A 29 6.264 -6.797 1.696 1.00 0.00 H new ATOM 0 HA GLU A 29 7.680 -9.149 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.478 -7.311 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.132 -7.711 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.586 -10.138 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.163 -9.377 -2.050 1.00 0.00 H new ATOM 425 N GLY A 30 9.315 -6.330 1.158 1.00 0.00 N ATOM 426 CA GLY A 30 10.345 -5.564 1.921 1.00 0.00 C ATOM 427 C GLY A 30 9.688 -4.516 2.821 1.00 0.00 C ATOM 428 O GLY A 30 10.364 -3.791 3.525 1.00 0.00 O ATOM 0 H GLY A 30 9.120 -5.977 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.939 -6.249 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.030 -5.076 1.227 1.00 0.00 H new ATOM 432 N VAL A 31 8.387 -4.422 2.817 1.00 0.00 N ATOM 433 CA VAL A 31 7.724 -3.409 3.690 1.00 0.00 C ATOM 434 C VAL A 31 8.361 -3.417 5.074 1.00 0.00 C ATOM 435 O VAL A 31 8.481 -4.442 5.716 1.00 0.00 O ATOM 436 CB VAL A 31 6.259 -3.827 3.776 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.153 -5.183 4.474 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.491 -2.774 4.578 1.00 0.00 C ATOM 0 H VAL A 31 7.759 -4.995 2.254 1.00 0.00 H new ATOM 0 HA VAL A 31 7.827 -2.400 3.290 1.00 0.00 H new ATOM 0 HB VAL A 31 5.837 -3.908 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.106 -5.480 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.710 -5.929 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.568 -5.108 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.442 -3.062 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.913 -2.701 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.570 -1.808 4.080 1.00 0.00 H new ATOM 448 N SER A 32 8.761 -2.272 5.534 1.00 0.00 N ATOM 449 CA SER A 32 9.388 -2.181 6.878 1.00 0.00 C ATOM 450 C SER A 32 8.439 -1.456 7.823 1.00 0.00 C ATOM 451 O SER A 32 8.593 -1.485 9.028 1.00 0.00 O ATOM 452 CB SER A 32 10.671 -1.378 6.667 1.00 0.00 C ATOM 453 OG SER A 32 11.790 -2.182 7.015 1.00 0.00 O ATOM 0 H SER A 32 8.681 -1.386 5.034 1.00 0.00 H new ATOM 0 HA SER A 32 9.601 -3.156 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.747 -1.059 5.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.653 -0.475 7.277 1.00 0.00 H new ATOM 0 HG SER A 32 12.442 -2.170 6.283 1.00 0.00 H new ATOM 459 N LYS A 33 7.448 -0.812 7.278 1.00 0.00 N ATOM 460 CA LYS A 33 6.471 -0.087 8.138 1.00 0.00 C ATOM 461 C LYS A 33 5.201 0.206 7.332 1.00 0.00 C ATOM 462 O LYS A 33 5.204 0.157 6.119 1.00 0.00 O ATOM 463 CB LYS A 33 7.196 1.200 8.562 1.00 0.00 C ATOM 464 CG LYS A 33 6.193 2.344 8.753 1.00 0.00 C ATOM 465 CD LYS A 33 6.818 3.427 9.634 1.00 0.00 C ATOM 466 CE LYS A 33 5.714 4.310 10.223 1.00 0.00 C ATOM 467 NZ LYS A 33 5.739 5.554 9.405 1.00 0.00 N ATOM 0 H LYS A 33 7.271 -0.755 6.275 1.00 0.00 H new ATOM 0 HA LYS A 33 6.156 -0.659 9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.741 1.028 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.931 1.476 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.914 2.763 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.279 1.968 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.397 2.969 10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.509 4.033 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.743 3.819 10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.900 4.526 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.009 6.210 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.674 6.003 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.552 5.319 8.409 1.00 0.00 H new ATOM 481 N VAL A 34 4.114 0.496 7.991 1.00 0.00 N ATOM 482 CA VAL A 34 2.857 0.772 7.243 1.00 0.00 C ATOM 483 C VAL A 34 1.966 1.741 8.021 1.00 0.00 C ATOM 484 O VAL A 34 2.035 1.836 9.231 1.00 0.00 O ATOM 485 CB VAL A 34 2.181 -0.592 7.105 1.00 0.00 C ATOM 486 CG1 VAL A 34 1.892 -1.162 8.495 1.00 0.00 C ATOM 487 CG2 VAL A 34 0.868 -0.441 6.333 1.00 0.00 C ATOM 0 H VAL A 34 4.042 0.554 9.007 1.00 0.00 H new ATOM 0 HA VAL A 34 3.046 1.238 6.276 1.00 0.00 H new ATOM 0 HB VAL A 34 2.842 -1.269 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.410 -2.135 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.827 -1.274 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.233 -0.484 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.389 -1.415 6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.206 0.238 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.073 -0.038 5.341 1.00 0.00 H new ATOM 497 N ASP A 35 1.124 2.455 7.329 1.00 0.00 N ATOM 498 CA ASP A 35 0.213 3.416 7.999 1.00 0.00 C ATOM 499 C ASP A 35 -0.810 3.873 6.969 1.00 0.00 C ATOM 500 O ASP A 35 -0.653 4.889 6.326 1.00 0.00 O ATOM 501 CB ASP A 35 1.102 4.578 8.450 1.00 0.00 C ATOM 502 CG ASP A 35 0.232 5.678 9.062 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.026 5.609 10.252 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.161 6.571 8.329 1.00 0.00 O ATOM 0 H ASP A 35 1.029 2.411 6.314 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.321 2.995 8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.833 4.229 9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.662 4.972 7.602 1.00 0.00 H new ATOM 509 N VAL A 36 -1.835 3.100 6.775 1.00 0.00 N ATOM 510 CA VAL A 36 -2.844 3.458 5.748 1.00 0.00 C ATOM 511 C VAL A 36 -4.158 3.894 6.385 1.00 0.00 C ATOM 512 O VAL A 36 -4.234 4.202 7.558 1.00 0.00 O ATOM 513 CB VAL A 36 -3.047 2.167 4.959 1.00 0.00 C ATOM 514 CG1 VAL A 36 -1.685 1.584 4.573 1.00 0.00 C ATOM 515 CG2 VAL A 36 -3.795 1.156 5.824 1.00 0.00 C ATOM 0 H VAL A 36 -2.018 2.235 7.283 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.515 4.293 5.129 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.623 2.381 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.830 0.662 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.142 2.303 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.111 1.371 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.941 0.234 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.214 0.946 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.765 1.566 6.106 1.00 0.00 H new ATOM 525 N GLY A 37 -5.194 3.907 5.603 1.00 0.00 N ATOM 526 CA GLY A 37 -6.526 4.301 6.108 1.00 0.00 C ATOM 527 C GLY A 37 -7.558 3.509 5.324 1.00 0.00 C ATOM 528 O GLY A 37 -7.963 3.896 4.240 1.00 0.00 O ATOM 0 H GLY A 37 -5.170 3.655 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.610 4.092 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.684 5.372 5.980 1.00 0.00 H new ATOM 532 N PHE A 38 -7.958 2.383 5.842 1.00 0.00 N ATOM 533 CA PHE A 38 -8.942 1.553 5.113 1.00 0.00 C ATOM 534 C PHE A 38 -10.186 2.388 4.795 1.00 0.00 C ATOM 535 O PHE A 38 -10.599 2.513 3.661 1.00 0.00 O ATOM 536 CB PHE A 38 -9.281 0.350 6.026 1.00 0.00 C ATOM 537 CG PHE A 38 -9.301 0.721 7.501 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.493 1.153 8.100 1.00 0.00 C ATOM 539 CD2 PHE A 38 -8.138 0.601 8.277 1.00 0.00 C ATOM 540 CE1 PHE A 38 -10.519 1.472 9.463 1.00 0.00 C ATOM 541 CE2 PHE A 38 -8.167 0.916 9.641 1.00 0.00 C ATOM 542 CZ PHE A 38 -9.357 1.354 10.233 1.00 0.00 C ATOM 0 H PHE A 38 -7.645 2.006 6.736 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.545 1.196 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.254 -0.053 5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.549 -0.441 5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.393 1.240 7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.218 0.265 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.437 1.810 9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.271 0.821 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.378 1.601 11.284 1.00 0.00 H new ATOM 552 N GLU A 39 -10.772 2.974 5.785 1.00 0.00 N ATOM 553 CA GLU A 39 -11.979 3.816 5.547 1.00 0.00 C ATOM 554 C GLU A 39 -11.597 5.080 4.766 1.00 0.00 C ATOM 555 O GLU A 39 -12.414 5.672 4.086 1.00 0.00 O ATOM 556 CB GLU A 39 -12.486 4.179 6.941 1.00 0.00 C ATOM 557 CG GLU A 39 -13.828 4.904 6.823 1.00 0.00 C ATOM 558 CD GLU A 39 -14.310 5.316 8.215 1.00 0.00 C ATOM 559 OE1 GLU A 39 -13.727 6.230 8.776 1.00 0.00 O ATOM 560 OE2 GLU A 39 -15.253 4.711 8.697 1.00 0.00 O ATOM 0 H GLU A 39 -10.472 2.911 6.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.737 3.298 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.599 3.278 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.761 4.814 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.724 5.784 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.564 4.254 6.349 1.00 0.00 H new ATOM 567 N LYS A 40 -10.362 5.498 4.857 1.00 0.00 N ATOM 568 CA LYS A 40 -9.928 6.722 4.119 1.00 0.00 C ATOM 569 C LYS A 40 -9.357 6.340 2.749 1.00 0.00 C ATOM 570 O LYS A 40 -8.938 7.183 1.982 1.00 0.00 O ATOM 571 CB LYS A 40 -8.843 7.346 4.997 1.00 0.00 C ATOM 572 CG LYS A 40 -9.356 8.662 5.584 1.00 0.00 C ATOM 573 CD LYS A 40 -8.703 9.834 4.851 1.00 0.00 C ATOM 574 CE LYS A 40 -9.758 10.560 4.014 1.00 0.00 C ATOM 575 NZ LYS A 40 -10.172 11.726 4.844 1.00 0.00 N ATOM 0 H LYS A 40 -9.635 5.045 5.410 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.753 7.411 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.570 6.660 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.942 7.524 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.440 8.717 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.127 8.712 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.255 10.522 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.899 9.474 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.349 10.882 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.605 9.910 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.895 12.274 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.563 11.388 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.346 12.331 5.030 1.00 0.00 H new ATOM 589 N ARG A 41 -9.339 5.073 2.441 1.00 0.00 N ATOM 590 CA ARG A 41 -8.799 4.623 1.125 1.00 0.00 C ATOM 591 C ARG A 41 -7.464 5.297 0.820 1.00 0.00 C ATOM 592 O ARG A 41 -7.360 6.127 -0.059 1.00 0.00 O ATOM 593 CB ARG A 41 -9.846 5.028 0.095 1.00 0.00 C ATOM 594 CG ARG A 41 -9.510 4.394 -1.269 1.00 0.00 C ATOM 595 CD ARG A 41 -8.741 5.372 -2.181 1.00 0.00 C ATOM 596 NE ARG A 41 -9.282 6.742 -1.891 1.00 0.00 N ATOM 597 CZ ARG A 41 -10.559 7.011 -1.988 1.00 0.00 C ATOM 598 NH1 ARG A 41 -11.381 6.150 -2.522 1.00 0.00 N ATOM 599 NH2 ARG A 41 -11.005 8.175 -1.600 1.00 0.00 N ATOM 0 H ARG A 41 -9.677 4.325 3.047 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.613 3.549 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.835 4.706 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.878 6.114 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.913 3.495 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.431 4.084 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.670 5.328 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.881 5.114 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.638 7.482 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.030 5.257 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.375 6.370 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.359 8.869 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.999 8.390 -1.673 1.00 0.00 H new ATOM 613 N GLU A 42 -6.443 4.938 1.535 1.00 0.00 N ATOM 614 CA GLU A 42 -5.102 5.547 1.277 1.00 0.00 C ATOM 615 C GLU A 42 -4.020 4.771 2.035 1.00 0.00 C ATOM 616 O GLU A 42 -4.061 4.665 3.242 1.00 0.00 O ATOM 617 CB GLU A 42 -5.208 6.979 1.802 1.00 0.00 C ATOM 618 CG GLU A 42 -4.524 7.935 0.824 1.00 0.00 C ATOM 619 CD GLU A 42 -5.237 9.288 0.852 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.020 10.029 1.797 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.986 9.561 -0.071 1.00 0.00 O ATOM 0 H GLU A 42 -6.471 4.250 2.288 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.831 5.523 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.255 7.256 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.742 7.052 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.475 8.059 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.548 7.520 -0.184 1.00 0.00 H new ATOM 628 N ALA A 43 -3.062 4.209 1.346 1.00 0.00 N ATOM 629 CA ALA A 43 -2.015 3.423 2.062 1.00 0.00 C ATOM 630 C ALA A 43 -0.660 4.142 2.086 1.00 0.00 C ATOM 631 O ALA A 43 -0.050 4.380 1.065 1.00 0.00 O ATOM 632 CB ALA A 43 -1.913 2.118 1.273 1.00 0.00 C ATOM 0 H ALA A 43 -2.959 4.259 0.332 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.280 3.272 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.162 1.474 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.878 1.612 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.626 2.336 0.244 1.00 0.00 H new ATOM 638 N VAL A 44 -0.162 4.446 3.260 1.00 0.00 N ATOM 639 CA VAL A 44 1.170 5.104 3.363 1.00 0.00 C ATOM 640 C VAL A 44 2.131 4.087 3.954 1.00 0.00 C ATOM 641 O VAL A 44 2.011 3.697 5.095 1.00 0.00 O ATOM 642 CB VAL A 44 0.952 6.318 4.280 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.149 6.513 5.218 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.782 7.572 3.419 1.00 0.00 C ATOM 0 H VAL A 44 -0.625 4.265 4.151 1.00 0.00 H new ATOM 0 HA VAL A 44 1.588 5.437 2.413 1.00 0.00 H new ATOM 0 HB VAL A 44 0.060 6.146 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.973 7.378 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.276 5.624 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.051 6.676 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.627 8.437 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.678 7.724 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.080 7.449 2.763 1.00 0.00 H new ATOM 654 N VAL A 45 3.052 3.608 3.174 1.00 0.00 N ATOM 655 CA VAL A 45 3.961 2.558 3.713 1.00 0.00 C ATOM 656 C VAL A 45 5.438 2.853 3.466 1.00 0.00 C ATOM 657 O VAL A 45 5.823 3.459 2.487 1.00 0.00 O ATOM 658 CB VAL A 45 3.547 1.290 2.967 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.383 0.107 3.458 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.065 1.010 3.228 1.00 0.00 C ATOM 0 H VAL A 45 3.216 3.888 2.207 1.00 0.00 H new ATOM 0 HA VAL A 45 3.868 2.485 4.797 1.00 0.00 H new ATOM 0 HB VAL A 45 3.711 1.428 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.085 -0.795 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.439 0.306 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.222 -0.034 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.767 0.106 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.903 0.873 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.468 1.851 2.876 1.00 0.00 H new ATOM 670 N THR A 46 6.261 2.368 4.352 1.00 0.00 N ATOM 671 CA THR A 46 7.731 2.531 4.217 1.00 0.00 C ATOM 672 C THR A 46 8.305 1.159 3.891 1.00 0.00 C ATOM 673 O THR A 46 7.675 0.149 4.140 1.00 0.00 O ATOM 674 CB THR A 46 8.213 3.005 5.589 1.00 0.00 C ATOM 675 OG1 THR A 46 8.039 4.409 5.695 1.00 0.00 O ATOM 676 CG2 THR A 46 9.694 2.654 5.767 1.00 0.00 C ATOM 0 H THR A 46 5.967 1.854 5.183 1.00 0.00 H new ATOM 0 HA THR A 46 8.030 3.235 3.440 1.00 0.00 H new ATOM 0 HB THR A 46 7.631 2.509 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.233 4.600 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.033 2.993 6.746 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.824 1.574 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.280 3.144 4.990 1.00 0.00 H new ATOM 684 N PHE A 47 9.474 1.094 3.337 1.00 0.00 N ATOM 685 CA PHE A 47 10.032 -0.237 3.005 1.00 0.00 C ATOM 686 C PHE A 47 11.469 -0.126 2.556 1.00 0.00 C ATOM 687 O PHE A 47 12.053 0.934 2.545 1.00 0.00 O ATOM 688 CB PHE A 47 9.172 -0.738 1.850 1.00 0.00 C ATOM 689 CG PHE A 47 9.352 0.191 0.672 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.395 -0.023 -0.244 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.479 1.273 0.496 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.559 0.843 -1.327 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.646 2.136 -0.592 1.00 0.00 C ATOM 694 CZ PHE A 47 9.686 1.920 -1.502 1.00 0.00 C ATOM 0 H PHE A 47 10.062 1.893 3.101 1.00 0.00 H new ATOM 0 HA PHE A 47 10.021 -0.905 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.460 -1.753 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.124 -0.773 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.069 -0.856 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.677 1.440 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.362 0.680 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.972 2.969 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.815 2.587 -2.342 1.00 0.00 H new ATOM 704 N ASP A 48 12.017 -1.222 2.144 1.00 0.00 N ATOM 705 CA ASP A 48 13.404 -1.218 1.643 1.00 0.00 C ATOM 706 C ASP A 48 13.331 -1.374 0.135 1.00 0.00 C ATOM 707 O ASP A 48 12.675 -2.261 -0.374 1.00 0.00 O ATOM 708 CB ASP A 48 14.078 -2.425 2.294 1.00 0.00 C ATOM 709 CG ASP A 48 13.832 -2.395 3.803 1.00 0.00 C ATOM 710 OD1 ASP A 48 13.184 -1.468 4.260 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.296 -3.301 4.477 1.00 0.00 O ATOM 0 H ASP A 48 11.556 -2.132 2.133 1.00 0.00 H new ATOM 0 HA ASP A 48 13.960 -0.309 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.684 -3.348 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.148 -2.411 2.089 1.00 0.00 H new ATOM 716 N ASP A 49 13.953 -0.498 -0.593 1.00 0.00 N ATOM 717 CA ASP A 49 13.854 -0.591 -2.075 1.00 0.00 C ATOM 718 C ASP A 49 14.716 -1.736 -2.629 1.00 0.00 C ATOM 719 O ASP A 49 14.904 -1.853 -3.823 1.00 0.00 O ATOM 720 CB ASP A 49 14.328 0.769 -2.594 1.00 0.00 C ATOM 721 CG ASP A 49 15.858 0.821 -2.590 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.456 0.056 -1.852 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.405 1.628 -3.325 1.00 0.00 O ATOM 0 H ASP A 49 14.520 0.271 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 49 12.837 -0.814 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.952 0.934 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.926 1.567 -1.970 1.00 0.00 H new ATOM 728 N THR A 50 15.228 -2.588 -1.781 1.00 0.00 N ATOM 729 CA THR A 50 16.055 -3.724 -2.277 1.00 0.00 C ATOM 730 C THR A 50 15.149 -4.911 -2.618 1.00 0.00 C ATOM 731 O THR A 50 15.385 -5.634 -3.566 1.00 0.00 O ATOM 732 CB THR A 50 16.988 -4.076 -1.117 1.00 0.00 C ATOM 733 OG1 THR A 50 16.215 -4.373 0.037 1.00 0.00 O ATOM 734 CG2 THR A 50 17.909 -2.892 -0.825 1.00 0.00 C ATOM 0 H THR A 50 15.109 -2.546 -0.769 1.00 0.00 H new ATOM 0 HA THR A 50 16.612 -3.472 -3.179 1.00 0.00 H new ATOM 0 HB THR A 50 17.590 -4.944 -1.385 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.811 -4.600 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.574 -3.143 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.502 -2.665 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.309 -2.022 -0.557 1.00 0.00 H new ATOM 742 N LYS A 51 14.110 -5.112 -1.852 1.00 0.00 N ATOM 743 CA LYS A 51 13.182 -6.247 -2.132 1.00 0.00 C ATOM 744 C LYS A 51 11.779 -5.717 -2.430 1.00 0.00 C ATOM 745 O LYS A 51 10.913 -6.436 -2.888 1.00 0.00 O ATOM 746 CB LYS A 51 13.183 -7.090 -0.856 1.00 0.00 C ATOM 747 CG LYS A 51 14.420 -7.991 -0.843 1.00 0.00 C ATOM 748 CD LYS A 51 14.632 -8.553 0.563 1.00 0.00 C ATOM 749 CE LYS A 51 13.496 -9.521 0.906 1.00 0.00 C ATOM 750 NZ LYS A 51 13.717 -9.880 2.335 1.00 0.00 N ATOM 0 H LYS A 51 13.864 -4.540 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 51 13.492 -6.830 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.182 -6.442 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.278 -7.695 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.296 -8.806 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.298 -7.425 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.591 -9.068 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.663 -7.741 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.522 -9.054 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.523 -10.404 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.977 -10.542 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.649 -10.329 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.679 -9.020 2.919 1.00 0.00 H new ATOM 764 N ALA A 52 11.555 -4.459 -2.179 1.00 0.00 N ATOM 765 CA ALA A 52 10.215 -3.865 -2.452 1.00 0.00 C ATOM 766 C ALA A 52 10.378 -2.507 -3.138 1.00 0.00 C ATOM 767 O ALA A 52 11.470 -2.098 -3.478 1.00 0.00 O ATOM 768 CB ALA A 52 9.560 -3.693 -1.082 1.00 0.00 C ATOM 0 H ALA A 52 12.244 -3.813 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 52 9.614 -4.492 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.568 -3.259 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.474 -4.665 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.171 -3.032 -0.467 1.00 0.00 H new ATOM 774 N SER A 53 9.299 -1.807 -3.342 1.00 0.00 N ATOM 775 CA SER A 53 9.388 -0.476 -4.004 1.00 0.00 C ATOM 776 C SER A 53 8.000 0.155 -4.091 1.00 0.00 C ATOM 777 O SER A 53 7.004 -0.533 -4.104 1.00 0.00 O ATOM 778 CB SER A 53 9.927 -0.765 -5.404 1.00 0.00 C ATOM 779 OG SER A 53 10.520 0.414 -5.932 1.00 0.00 O ATOM 0 H SER A 53 8.358 -2.099 -3.079 1.00 0.00 H new ATOM 0 HA SER A 53 10.026 0.218 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.662 -1.569 -5.364 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.120 -1.103 -6.054 1.00 0.00 H new ATOM 0 HG SER A 53 10.868 0.231 -6.830 1.00 0.00 H new ATOM 785 N VAL A 54 7.925 1.454 -4.154 1.00 0.00 N ATOM 786 CA VAL A 54 6.605 2.119 -4.254 1.00 0.00 C ATOM 787 C VAL A 54 5.725 1.358 -5.242 1.00 0.00 C ATOM 788 O VAL A 54 4.539 1.192 -5.036 1.00 0.00 O ATOM 789 CB VAL A 54 6.926 3.517 -4.773 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.830 4.246 -3.777 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.642 3.409 -6.123 1.00 0.00 C ATOM 0 H VAL A 54 8.727 2.084 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 54 6.065 2.151 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 54 5.998 4.076 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.056 5.244 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.322 4.327 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.757 3.687 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.871 4.408 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.567 2.846 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.997 2.896 -6.837 1.00 0.00 H new ATOM 801 N GLN A 55 6.304 0.874 -6.305 1.00 0.00 N ATOM 802 CA GLN A 55 5.506 0.101 -7.292 1.00 0.00 C ATOM 803 C GLN A 55 4.987 -1.171 -6.623 1.00 0.00 C ATOM 804 O GLN A 55 3.826 -1.506 -6.723 1.00 0.00 O ATOM 805 CB GLN A 55 6.484 -0.238 -8.418 1.00 0.00 C ATOM 806 CG GLN A 55 5.731 -0.312 -9.747 1.00 0.00 C ATOM 807 CD GLN A 55 6.680 0.053 -10.890 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.265 0.615 -11.884 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.947 -0.245 -10.789 1.00 0.00 N ATOM 0 H GLN A 55 7.293 0.981 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 55 4.644 0.651 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.267 0.519 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.975 -1.190 -8.213 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.333 -1.316 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.880 0.370 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.295 -0.717 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.589 -0.006 -11.545 1.00 0.00 H new ATOM 818 N LYS A 56 5.845 -1.875 -5.933 1.00 0.00 N ATOM 819 CA LYS A 56 5.411 -3.123 -5.245 1.00 0.00 C ATOM 820 C LYS A 56 4.343 -2.813 -4.189 1.00 0.00 C ATOM 821 O LYS A 56 3.515 -3.645 -3.877 1.00 0.00 O ATOM 822 CB LYS A 56 6.677 -3.675 -4.587 1.00 0.00 C ATOM 823 CG LYS A 56 7.104 -4.957 -5.304 1.00 0.00 C ATOM 824 CD LYS A 56 8.629 -5.079 -5.275 1.00 0.00 C ATOM 825 CE LYS A 56 9.106 -5.816 -6.529 1.00 0.00 C ATOM 826 NZ LYS A 56 8.805 -7.252 -6.270 1.00 0.00 N ATOM 0 H LYS A 56 6.830 -1.638 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 56 4.966 -3.838 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.476 -2.936 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.493 -3.879 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.651 -5.823 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.750 -4.944 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.083 -4.089 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.944 -5.618 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.587 -5.458 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.172 -5.660 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.689 -7.800 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.350 -7.349 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.165 -7.611 -7.007 1.00 0.00 H new ATOM 840 N LEU A 57 4.336 -1.621 -3.645 1.00 0.00 N ATOM 841 CA LEU A 57 3.296 -1.285 -2.631 1.00 0.00 C ATOM 842 C LEU A 57 1.947 -1.193 -3.340 1.00 0.00 C ATOM 843 O LEU A 57 0.994 -1.870 -2.999 1.00 0.00 O ATOM 844 CB LEU A 57 3.700 0.077 -2.055 1.00 0.00 C ATOM 845 CG LEU A 57 5.158 0.043 -1.583 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.584 1.446 -1.153 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.296 -0.914 -0.398 1.00 0.00 C ATOM 0 H LEU A 57 4.999 -0.875 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 57 3.216 -2.030 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.573 0.852 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.047 0.335 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 57 5.793 -0.300 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.621 1.424 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.490 2.129 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.945 1.786 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.334 -0.935 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.660 -0.575 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.992 -1.916 -0.702 1.00 0.00 H new ATOM 859 N THR A 58 1.879 -0.377 -4.354 1.00 0.00 N ATOM 860 CA THR A 58 0.622 -0.247 -5.132 1.00 0.00 C ATOM 861 C THR A 58 0.349 -1.576 -5.833 1.00 0.00 C ATOM 862 O THR A 58 -0.749 -1.855 -6.267 1.00 0.00 O ATOM 863 CB THR A 58 0.911 0.853 -6.156 1.00 0.00 C ATOM 864 OG1 THR A 58 1.810 1.797 -5.591 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.389 1.556 -6.548 1.00 0.00 C ATOM 0 H THR A 58 2.648 0.209 -4.678 1.00 0.00 H new ATOM 0 HA THR A 58 -0.247 -0.005 -4.520 1.00 0.00 H new ATOM 0 HB THR A 58 1.357 0.408 -7.045 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.620 1.846 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.175 2.337 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.077 0.832 -6.984 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.843 2.001 -5.663 1.00 0.00 H new ATOM 873 N LYS A 59 1.354 -2.406 -5.934 1.00 0.00 N ATOM 874 CA LYS A 59 1.171 -3.726 -6.590 1.00 0.00 C ATOM 875 C LYS A 59 0.664 -4.731 -5.561 1.00 0.00 C ATOM 876 O LYS A 59 0.065 -5.732 -5.901 1.00 0.00 O ATOM 877 CB LYS A 59 2.558 -4.125 -7.096 1.00 0.00 C ATOM 878 CG LYS A 59 2.415 -5.198 -8.177 1.00 0.00 C ATOM 879 CD LYS A 59 3.687 -6.045 -8.231 1.00 0.00 C ATOM 880 CE LYS A 59 3.602 -7.166 -7.192 1.00 0.00 C ATOM 881 NZ LYS A 59 4.348 -8.307 -7.794 1.00 0.00 N ATOM 0 H LYS A 59 2.296 -2.222 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 59 0.447 -3.694 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.075 -3.254 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.163 -4.502 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.554 -5.831 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.236 -4.731 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.812 -6.468 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.560 -5.421 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.046 -6.860 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.566 -7.436 -6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.334 -9.115 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.899 -8.581 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.332 -8.023 -7.972 1.00 0.00 H new ATOM 895 N ALA A 60 0.883 -4.465 -4.299 1.00 0.00 N ATOM 896 CA ALA A 60 0.388 -5.403 -3.258 1.00 0.00 C ATOM 897 C ALA A 60 -1.111 -5.199 -3.095 1.00 0.00 C ATOM 898 O ALA A 60 -1.872 -6.141 -2.981 1.00 0.00 O ATOM 899 CB ALA A 60 1.138 -5.027 -1.980 1.00 0.00 C ATOM 0 H ALA A 60 1.379 -3.645 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 60 0.555 -6.450 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.822 -5.680 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.210 -5.140 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.918 -3.992 -1.720 1.00 0.00 H new ATOM 905 N THR A 61 -1.549 -3.973 -3.129 1.00 0.00 N ATOM 906 CA THR A 61 -3.010 -3.716 -3.027 1.00 0.00 C ATOM 907 C THR A 61 -3.615 -3.966 -4.400 1.00 0.00 C ATOM 908 O THR A 61 -4.696 -4.514 -4.536 1.00 0.00 O ATOM 909 CB THR A 61 -3.147 -2.255 -2.598 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.505 -1.856 -2.708 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.281 -1.348 -3.473 1.00 0.00 C ATOM 0 H THR A 61 -0.963 -3.143 -3.222 1.00 0.00 H new ATOM 0 HA THR A 61 -3.524 -4.357 -2.311 1.00 0.00 H new ATOM 0 HB THR A 61 -2.813 -2.165 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.556 -0.878 -2.748 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.395 -0.313 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.236 -1.644 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.594 -1.439 -4.513 1.00 0.00 H new ATOM 919 N ALA A 62 -2.892 -3.620 -5.428 1.00 0.00 N ATOM 920 CA ALA A 62 -3.392 -3.889 -6.794 1.00 0.00 C ATOM 921 C ALA A 62 -3.480 -5.402 -6.958 1.00 0.00 C ATOM 922 O ALA A 62 -4.294 -5.917 -7.698 1.00 0.00 O ATOM 923 CB ALA A 62 -2.348 -3.298 -7.741 1.00 0.00 C ATOM 0 H ALA A 62 -1.981 -3.165 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.373 -3.457 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.658 -3.463 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.254 -2.228 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.386 -3.781 -7.569 1.00 0.00 H new ATOM 929 N ASP A 63 -2.653 -6.120 -6.238 1.00 0.00 N ATOM 930 CA ASP A 63 -2.697 -7.600 -6.317 1.00 0.00 C ATOM 931 C ASP A 63 -3.769 -8.110 -5.358 1.00 0.00 C ATOM 932 O ASP A 63 -4.277 -9.204 -5.504 1.00 0.00 O ATOM 933 CB ASP A 63 -1.307 -8.074 -5.888 1.00 0.00 C ATOM 934 CG ASP A 63 -0.368 -8.059 -7.096 1.00 0.00 C ATOM 935 OD1 ASP A 63 -0.753 -7.505 -8.113 1.00 0.00 O ATOM 936 OD2 ASP A 63 0.718 -8.602 -6.984 1.00 0.00 O ATOM 0 H ASP A 63 -1.953 -5.739 -5.602 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.941 -7.967 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.917 -7.427 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.366 -9.080 -5.472 1.00 0.00 H new ATOM 941 N ALA A 64 -4.143 -7.310 -4.392 1.00 0.00 N ATOM 942 CA ALA A 64 -5.208 -7.742 -3.454 1.00 0.00 C ATOM 943 C ALA A 64 -6.540 -7.669 -4.188 1.00 0.00 C ATOM 944 O ALA A 64 -7.519 -8.278 -3.803 1.00 0.00 O ATOM 945 CB ALA A 64 -5.166 -6.741 -2.299 1.00 0.00 C ATOM 0 H ALA A 64 -3.756 -6.383 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.075 -8.760 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.929 -7.000 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.184 -6.771 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.355 -5.737 -2.680 1.00 0.00 H new ATOM 951 N GLY A 65 -6.573 -6.916 -5.254 1.00 0.00 N ATOM 952 CA GLY A 65 -7.827 -6.781 -6.038 1.00 0.00 C ATOM 953 C GLY A 65 -8.311 -5.344 -5.936 1.00 0.00 C ATOM 954 O GLY A 65 -9.491 -5.066 -6.004 1.00 0.00 O ATOM 0 H GLY A 65 -5.779 -6.387 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.652 -7.048 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.586 -7.464 -5.657 1.00 0.00 H new ATOM 958 N TYR A 66 -7.401 -4.429 -5.760 1.00 0.00 N ATOM 959 CA TYR A 66 -7.799 -3.004 -5.631 1.00 0.00 C ATOM 960 C TYR A 66 -6.894 -2.112 -6.483 1.00 0.00 C ATOM 961 O TYR A 66 -5.766 -1.855 -6.114 1.00 0.00 O ATOM 962 CB TYR A 66 -7.610 -2.704 -4.143 1.00 0.00 C ATOM 963 CG TYR A 66 -8.417 -3.704 -3.353 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.739 -3.957 -3.727 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.850 -4.391 -2.265 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.500 -4.896 -3.025 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.616 -5.327 -1.560 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.940 -5.580 -1.940 1.00 0.00 C ATOM 969 OH TYR A 66 -10.690 -6.507 -1.246 1.00 0.00 O ATOM 0 H TYR A 66 -6.399 -4.608 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.817 -2.817 -5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.556 -2.769 -3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.935 -1.689 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.174 -3.426 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.828 -4.197 -1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.520 -5.094 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.185 -5.855 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.150 -6.890 -0.524 1.00 0.00 H new ATOM 979 N PRO A 67 -7.416 -1.647 -7.593 1.00 0.00 N ATOM 980 CA PRO A 67 -6.630 -0.761 -8.471 1.00 0.00 C ATOM 981 C PRO A 67 -6.025 0.347 -7.617 1.00 0.00 C ATOM 982 O PRO A 67 -6.696 1.279 -7.223 1.00 0.00 O ATOM 983 CB PRO A 67 -7.690 -0.229 -9.441 1.00 0.00 C ATOM 984 CG PRO A 67 -9.000 -1.011 -9.208 1.00 0.00 C ATOM 985 CD PRO A 67 -8.797 -1.965 -8.021 1.00 0.00 C ATOM 0 HA PRO A 67 -5.800 -1.235 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.851 0.837 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.355 -0.348 -10.471 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.820 -0.323 -9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.270 -1.572 -10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.521 -1.785 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.901 -3.009 -8.316 1.00 0.00 H new ATOM 993 N SER A 68 -4.773 0.228 -7.285 1.00 0.00 N ATOM 994 CA SER A 68 -4.147 1.251 -6.407 1.00 0.00 C ATOM 995 C SER A 68 -3.174 2.145 -7.172 1.00 0.00 C ATOM 996 O SER A 68 -2.656 1.789 -8.211 1.00 0.00 O ATOM 997 CB SER A 68 -3.398 0.444 -5.355 1.00 0.00 C ATOM 998 OG SER A 68 -2.226 -0.105 -5.935 1.00 0.00 O ATOM 0 H SER A 68 -4.158 -0.530 -7.582 1.00 0.00 H new ATOM 0 HA SER A 68 -4.896 1.920 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.136 1.080 -4.510 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.034 -0.352 -4.969 1.00 0.00 H new ATOM 0 HG SER A 68 -2.330 -1.075 -6.027 1.00 0.00 H new ATOM 1004 N SER A 69 -2.918 3.307 -6.636 1.00 0.00 N ATOM 1005 CA SER A 69 -1.974 4.252 -7.281 1.00 0.00 C ATOM 1006 C SER A 69 -0.926 4.658 -6.251 1.00 0.00 C ATOM 1007 O SER A 69 -0.929 4.176 -5.138 1.00 0.00 O ATOM 1008 CB SER A 69 -2.826 5.451 -7.696 1.00 0.00 C ATOM 1009 OG SER A 69 -2.245 6.066 -8.838 1.00 0.00 O ATOM 0 H SER A 69 -3.331 3.643 -5.766 1.00 0.00 H new ATOM 0 HA SER A 69 -1.455 3.828 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.843 5.129 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.891 6.167 -6.877 1.00 0.00 H new ATOM 0 HG SER A 69 -2.790 6.835 -9.108 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.018 5.515 -6.600 1.00 0.00 N ATOM 1016 CA VAL A 70 1.023 5.902 -5.619 1.00 0.00 C ATOM 1017 C VAL A 70 1.376 7.384 -5.748 1.00 0.00 C ATOM 1018 O VAL A 70 1.281 7.961 -6.813 1.00 0.00 O ATOM 1019 CB VAL A 70 2.187 5.003 -6.003 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.930 5.594 -7.205 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.146 4.861 -4.820 1.00 0.00 C ATOM 0 H VAL A 70 0.050 5.962 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 70 0.717 5.781 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 70 1.802 4.019 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.763 4.944 -7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.247 5.677 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.310 6.583 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.978 4.216 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.527 5.843 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.617 4.423 -3.974 1.00 0.00 H new ATOM 1031 N LYS A 71 1.776 8.013 -4.671 1.00 0.00 N ATOM 1032 CA LYS A 71 2.119 9.466 -4.770 1.00 0.00 C ATOM 1033 C LYS A 71 2.832 9.968 -3.514 1.00 0.00 C ATOM 1034 O LYS A 71 2.462 10.975 -2.945 1.00 0.00 O ATOM 1035 CB LYS A 71 0.777 10.176 -4.934 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.153 9.766 -3.794 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.579 9.639 -4.325 1.00 0.00 C ATOM 1038 CE LYS A 71 -2.477 10.662 -3.627 1.00 0.00 C ATOM 1039 NZ LYS A 71 -2.951 9.978 -2.392 1.00 0.00 N ATOM 0 H LYS A 71 1.879 7.595 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 71 2.801 9.655 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.921 11.256 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.330 9.917 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.174 8.818 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.115 10.506 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.593 9.803 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.955 8.631 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.927 11.572 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.313 10.953 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.085 10.680 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.854 9.500 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.245 9.276 -2.091 1.00 0.00 H new ATOM 1053 N GLN A 72 3.861 9.287 -3.099 1.00 0.00 N ATOM 1054 CA GLN A 72 4.630 9.723 -1.891 1.00 0.00 C ATOM 1055 C GLN A 72 3.705 10.331 -0.829 1.00 0.00 C ATOM 1056 O GLN A 72 3.441 11.520 -0.913 1.00 0.00 O ATOM 1057 CB GLN A 72 5.603 10.781 -2.409 1.00 0.00 C ATOM 1058 CG GLN A 72 6.875 10.763 -1.561 1.00 0.00 C ATOM 1059 CD GLN A 72 7.914 11.696 -2.185 1.00 0.00 C ATOM 1060 OE1 GLN A 72 9.017 11.283 -2.485 1.00 0.00 O ATOM 1061 NE2 GLN A 72 7.606 12.946 -2.397 1.00 0.00 N ATOM 1062 OXT GLN A 72 3.288 9.603 0.056 1.00 0.00 O ATOM 0 H GLN A 72 4.209 8.439 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 72 5.135 8.883 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.847 10.586 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.140 11.767 -2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.651 11.080 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.270 9.749 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.680 13.293 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.291 13.576 -2.814 1.00 0.00 H new