USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 77:sc= 1.09 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.26 K(o=-0.17,f=-9.9!) USER MOD Set 2.1: A 61 GLN : amide:sc= 0.00813 X(o=-0.13,f=-0.11) USER MOD Set 2.2: A 69 MET CE :methyl 165:sc= -0.134 (180deg=-0.274) USER MOD Set 3.1: A 50 LYS NZ :NH3+ -125:sc= 1.99 (180deg=0.828) USER MOD Set 3.2: A 73 TYR OH : rot -102:sc= 1.86 USER MOD Set 4.1: A 23 TYR OH : rot 32:sc= 1.21 USER MOD Set 4.2: A 78 HIS : no HE2:sc= 0.71 K(o=3.6,f=-0.7!) USER MOD Set 4.3: A 80 TYR OH : rot 87:sc= 1.68 USER MOD Set 5.1: A 1 ALA N :NH3+ 159:sc= 0.0997 (180deg=-1.84!) USER MOD Set 5.2: A 2 THR OG1 : rot -106:sc= 1.29 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.452 K(o=0.45,f=-0.14) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.18) USER MOD Single : A 9 THR OG1 : rot -170:sc= 0.78 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -64:sc= -2.18 USER MOD Single : A 27 GLN : amide:sc= 1.09 K(o=1.1,f=-7.3!) USER MOD Single : A 37 TYR OH : rot -41:sc= 1.16 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.052 USER MOD Single : A 45 SER OG : rot 96:sc= 0.875 USER MOD Single : A 46 SER OG : rot 180:sc= -0.037 USER MOD Single : A 53 SER OG : rot 180:sc= 0.127 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 58 GLN : amide:sc= -2.13! C(o=-2.1!,f=-7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 17:sc= 1.14 USER MOD Single : A 68 GLN : amide:sc= -0.134 K(o=-0.13,f=-3.4) USER MOD Single : A 76 THR OG1 : rot -100:sc= -0.273 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 83 SER OG : rot 9:sc= 0.729 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 2.32 (180deg=0.817) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.304 -3.380 -0.882 1.00 0.00 N ATOM 2 CA ALA A 1 17.137 -4.778 -0.433 1.00 0.00 C ATOM 3 C ALA A 1 16.079 -5.562 -1.220 1.00 0.00 C ATOM 4 O ALA A 1 16.334 -6.707 -1.579 1.00 0.00 O ATOM 5 CB ALA A 1 16.913 -4.870 1.076 1.00 0.00 C ATOM 0 H1 ALA A 1 17.742 -2.821 -0.122 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.914 -3.356 -1.724 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.374 -2.977 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 1 18.084 -5.269 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.795 -5.915 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.770 -4.445 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.013 -4.316 1.345 1.00 0.00 H new ATOM 12 N THR A 2 14.925 -4.955 -1.517 1.00 0.00 N ATOM 13 CA THR A 2 14.052 -5.366 -2.613 1.00 0.00 C ATOM 14 C THR A 2 13.211 -6.589 -2.250 1.00 0.00 C ATOM 15 O THR A 2 13.612 -7.728 -2.484 1.00 0.00 O ATOM 16 CB THR A 2 14.871 -5.536 -3.899 1.00 0.00 C ATOM 17 OG1 THR A 2 15.794 -4.467 -4.018 1.00 0.00 O ATOM 18 CG2 THR A 2 13.970 -5.630 -5.134 1.00 0.00 C ATOM 0 H THR A 2 14.570 -4.155 -0.994 1.00 0.00 H new ATOM 0 HA THR A 2 13.324 -4.577 -2.801 1.00 0.00 H new ATOM 0 HB THR A 2 15.421 -6.475 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.493 -3.851 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.586 -5.750 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.305 -6.488 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.377 -4.719 -5.222 1.00 0.00 H new ATOM 26 N TYR A 3 12.026 -6.350 -1.683 1.00 0.00 N ATOM 27 CA TYR A 3 11.234 -7.387 -1.041 1.00 0.00 C ATOM 28 C TYR A 3 10.045 -7.817 -1.892 1.00 0.00 C ATOM 29 O TYR A 3 9.559 -7.066 -2.736 1.00 0.00 O ATOM 30 CB TYR A 3 10.765 -6.891 0.327 1.00 0.00 C ATOM 31 CG TYR A 3 11.892 -6.465 1.252 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.938 -7.354 1.566 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.903 -5.164 1.785 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.999 -6.932 2.385 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.933 -4.769 2.653 1.00 0.00 C ATOM 36 CZ TYR A 3 13.989 -5.644 2.940 1.00 0.00 C ATOM 37 OH TYR A 3 15.037 -5.224 3.704 1.00 0.00 O ATOM 0 H TYR A 3 11.593 -5.427 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 3 11.866 -8.267 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.089 -6.048 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.191 -7.681 0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.925 -8.361 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.119 -4.468 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.823 -7.600 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.911 -3.787 3.101 1.00 0.00 H new ATOM 0 HH TYR A 3 14.872 -4.308 4.010 1.00 0.00 H new ATOM 47 N ASN A 4 9.587 -9.045 -1.639 1.00 0.00 N ATOM 48 CA ASN A 4 8.401 -9.673 -2.167 1.00 0.00 C ATOM 49 C ASN A 4 7.181 -8.979 -1.571 1.00 0.00 C ATOM 50 O ASN A 4 6.846 -9.198 -0.406 1.00 0.00 O ATOM 51 CB ASN A 4 8.458 -11.151 -1.748 1.00 0.00 C ATOM 52 CG ASN A 4 7.173 -11.932 -1.987 1.00 0.00 C ATOM 53 OD1 ASN A 4 6.911 -12.914 -1.302 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.395 -11.528 -2.980 1.00 0.00 N ATOM 0 H ASN A 4 10.088 -9.668 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 4 8.338 -9.598 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.268 -11.637 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.707 -11.204 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.541 -12.040 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.650 -10.705 -3.525 1.00 0.00 H new ATOM 61 N VAL A 5 6.528 -8.143 -2.377 1.00 0.00 N ATOM 62 CA VAL A 5 5.289 -7.491 -1.992 1.00 0.00 C ATOM 63 C VAL A 5 4.132 -8.091 -2.778 1.00 0.00 C ATOM 64 O VAL A 5 4.107 -7.966 -4.002 1.00 0.00 O ATOM 65 CB VAL A 5 5.380 -5.978 -2.210 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.087 -5.317 -1.710 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.584 -5.428 -1.445 1.00 0.00 C ATOM 0 H VAL A 5 6.848 -7.902 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 5 5.114 -7.658 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 5 5.505 -5.761 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.147 -4.239 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.237 -5.716 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.959 -5.526 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.651 -4.351 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.466 -5.636 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.495 -5.904 -1.809 1.00 0.00 H new ATOM 77 N LYS A 6 3.165 -8.707 -2.089 1.00 0.00 N ATOM 78 CA LYS A 6 1.903 -9.068 -2.709 1.00 0.00 C ATOM 79 C LYS A 6 0.895 -7.939 -2.604 1.00 0.00 C ATOM 80 O LYS A 6 0.633 -7.447 -1.506 1.00 0.00 O ATOM 81 CB LYS A 6 1.327 -10.326 -2.070 1.00 0.00 C ATOM 82 CG LYS A 6 0.015 -10.701 -2.781 1.00 0.00 C ATOM 83 CD LYS A 6 -0.600 -11.993 -2.253 1.00 0.00 C ATOM 84 CE LYS A 6 0.432 -13.115 -2.346 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.188 -14.436 -2.552 1.00 0.00 N ATOM 0 H LYS A 6 3.240 -8.962 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 6 2.102 -9.261 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.042 -11.146 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.144 -10.158 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.702 -9.888 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.204 -10.805 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.920 -11.862 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.488 -12.250 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.117 -12.907 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.026 -13.135 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.555 -15.155 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.783 -14.672 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.775 -14.414 -3.410 1.00 0.00 H new ATOM 99 N LEU A 7 0.266 -7.627 -3.741 1.00 0.00 N ATOM 100 CA LEU A 7 -0.900 -6.776 -3.818 1.00 0.00 C ATOM 101 C LEU A 7 -2.110 -7.622 -4.167 1.00 0.00 C ATOM 102 O LEU A 7 -2.262 -8.006 -5.321 1.00 0.00 O ATOM 103 CB LEU A 7 -0.640 -5.699 -4.873 1.00 0.00 C ATOM 104 CG LEU A 7 0.613 -4.858 -4.597 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.751 -3.832 -5.712 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.602 -4.174 -3.233 1.00 0.00 C ATOM 0 H LEU A 7 0.570 -7.974 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.097 -6.289 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.540 -6.175 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.506 -5.039 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 7 1.471 -5.530 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.637 -3.221 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.847 -4.345 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.132 -3.193 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.519 -3.598 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.258 -3.507 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.537 -4.928 -2.448 1.00 0.00 H new ATOM 118 N ILE A 8 -2.975 -7.920 -3.192 1.00 0.00 N ATOM 119 CA ILE A 8 -4.243 -8.573 -3.455 1.00 0.00 C ATOM 120 C ILE A 8 -5.160 -7.501 -4.029 1.00 0.00 C ATOM 121 O ILE A 8 -5.675 -6.637 -3.320 1.00 0.00 O ATOM 122 CB ILE A 8 -4.770 -9.258 -2.181 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.844 -10.405 -1.757 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.212 -9.753 -2.367 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.976 -10.761 -0.276 1.00 0.00 C ATOM 0 H ILE A 8 -2.809 -7.713 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.163 -9.385 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.778 -8.516 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.067 -11.286 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.811 -10.128 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.554 -10.232 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.860 -8.908 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.247 -10.472 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.296 -11.579 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.725 -9.891 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.001 -11.067 -0.065 1.00 0.00 H new ATOM 137 N THR A 9 -5.286 -7.512 -5.347 1.00 0.00 N ATOM 138 CA THR A 9 -6.219 -6.692 -6.082 1.00 0.00 C ATOM 139 C THR A 9 -7.546 -7.439 -6.233 1.00 0.00 C ATOM 140 O THR A 9 -7.593 -8.658 -6.052 1.00 0.00 O ATOM 141 CB THR A 9 -5.626 -6.470 -7.468 1.00 0.00 C ATOM 142 OG1 THR A 9 -5.521 -7.751 -8.065 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.240 -5.823 -7.402 1.00 0.00 C ATOM 0 H THR A 9 -4.721 -8.113 -5.947 1.00 0.00 H new ATOM 0 HA THR A 9 -6.394 -5.748 -5.565 1.00 0.00 H new ATOM 0 HB THR A 9 -6.262 -5.795 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.001 -7.684 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.855 -5.683 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.313 -4.856 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.563 -6.469 -6.842 1.00 0.00 H new ATOM 151 N PRO A 10 -8.607 -6.732 -6.644 1.00 0.00 N ATOM 152 CA PRO A 10 -9.834 -7.343 -7.095 1.00 0.00 C ATOM 153 C PRO A 10 -9.636 -8.059 -8.436 1.00 0.00 C ATOM 154 O PRO A 10 -10.361 -9.003 -8.735 1.00 0.00 O ATOM 155 CB PRO A 10 -10.878 -6.238 -7.160 1.00 0.00 C ATOM 156 CG PRO A 10 -10.156 -4.945 -6.836 1.00 0.00 C ATOM 157 CD PRO A 10 -8.690 -5.293 -6.710 1.00 0.00 C ATOM 0 HA PRO A 10 -10.168 -8.120 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.332 -6.191 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.683 -6.422 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.313 -4.205 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.533 -4.512 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.128 -4.912 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.261 -4.840 -5.817 1.00 0.00 H new ATOM 165 N ASP A 11 -8.650 -7.618 -9.232 1.00 0.00 N ATOM 166 CA ASP A 11 -8.240 -8.274 -10.468 1.00 0.00 C ATOM 167 C ASP A 11 -7.872 -9.724 -10.181 1.00 0.00 C ATOM 168 O ASP A 11 -8.305 -10.634 -10.887 1.00 0.00 O ATOM 169 CB ASP A 11 -7.065 -7.521 -11.112 1.00 0.00 C ATOM 170 CG ASP A 11 -7.552 -6.587 -12.209 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.037 -5.497 -11.840 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.444 -6.989 -13.388 1.00 0.00 O ATOM 0 H ASP A 11 -8.109 -6.778 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.070 -8.260 -11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.534 -6.949 -10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.354 -8.236 -11.527 1.00 0.00 H new ATOM 177 N GLY A 12 -7.089 -9.924 -9.120 1.00 0.00 N ATOM 178 CA GLY A 12 -6.799 -11.240 -8.583 1.00 0.00 C ATOM 179 C GLY A 12 -5.308 -11.403 -8.324 1.00 0.00 C ATOM 180 O GLY A 12 -4.669 -12.245 -8.949 1.00 0.00 O ATOM 0 H GLY A 12 -6.637 -9.165 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.352 -11.389 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.137 -12.005 -9.282 1.00 0.00 H new ATOM 184 N GLU A 13 -4.790 -10.607 -7.381 1.00 0.00 N ATOM 185 CA GLU A 13 -3.416 -10.610 -6.905 1.00 0.00 C ATOM 186 C GLU A 13 -2.407 -10.141 -7.947 1.00 0.00 C ATOM 187 O GLU A 13 -2.533 -10.384 -9.145 1.00 0.00 O ATOM 188 CB GLU A 13 -3.015 -11.982 -6.359 1.00 0.00 C ATOM 189 CG GLU A 13 -3.558 -12.207 -4.954 1.00 0.00 C ATOM 190 CD GLU A 13 -3.347 -13.644 -4.480 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.175 -13.997 -4.216 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.361 -14.360 -4.358 1.00 0.00 O ATOM 0 H GLU A 13 -5.358 -9.905 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.390 -9.882 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.388 -12.762 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.928 -12.066 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.068 -11.522 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.622 -11.972 -4.935 1.00 0.00 H new ATOM 199 N VAL A 14 -1.353 -9.494 -7.449 1.00 0.00 N ATOM 200 CA VAL A 14 -0.144 -9.235 -8.196 1.00 0.00 C ATOM 201 C VAL A 14 1.010 -9.085 -7.208 1.00 0.00 C ATOM 202 O VAL A 14 1.108 -8.096 -6.481 1.00 0.00 O ATOM 203 CB VAL A 14 -0.346 -8.059 -9.165 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.740 -6.732 -8.514 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.863 -7.882 -10.084 1.00 0.00 C ATOM 0 H VAL A 14 -1.325 -9.132 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 14 0.115 -10.070 -8.847 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.214 -8.344 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.857 -5.970 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.681 -6.855 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.038 -6.425 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.689 -7.042 -10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.751 -7.687 -9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.012 -8.790 -10.668 1.00 0.00 H new ATOM 215 N GLU A 15 1.851 -10.115 -7.137 1.00 0.00 N ATOM 216 CA GLU A 15 3.138 -10.028 -6.485 1.00 0.00 C ATOM 217 C GLU A 15 4.125 -9.277 -7.360 1.00 0.00 C ATOM 218 O GLU A 15 4.124 -9.417 -8.581 1.00 0.00 O ATOM 219 CB GLU A 15 3.668 -11.417 -6.111 1.00 0.00 C ATOM 220 CG GLU A 15 2.936 -11.888 -4.858 1.00 0.00 C ATOM 221 CD GLU A 15 3.407 -13.249 -4.372 1.00 0.00 C ATOM 222 OE1 GLU A 15 4.548 -13.278 -3.866 1.00 0.00 O ATOM 223 OE2 GLU A 15 2.606 -14.205 -4.458 1.00 0.00 O ATOM 0 H GLU A 15 1.650 -11.033 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 15 3.013 -9.470 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.508 -12.118 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.742 -11.378 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.078 -11.155 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.866 -11.932 -5.063 1.00 0.00 H new ATOM 230 N PHE A 16 4.965 -8.479 -6.709 1.00 0.00 N ATOM 231 CA PHE A 16 6.017 -7.720 -7.351 1.00 0.00 C ATOM 232 C PHE A 16 7.164 -7.481 -6.375 1.00 0.00 C ATOM 233 O PHE A 16 7.046 -7.815 -5.191 1.00 0.00 O ATOM 234 CB PHE A 16 5.444 -6.475 -8.008 1.00 0.00 C ATOM 235 CG PHE A 16 5.290 -5.305 -7.087 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.287 -5.301 -6.108 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.252 -4.286 -7.120 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.228 -4.245 -5.191 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.191 -3.240 -6.205 1.00 0.00 C ATOM 240 CZ PHE A 16 5.154 -3.190 -5.262 1.00 0.00 C ATOM 0 H PHE A 16 4.927 -8.343 -5.699 1.00 0.00 H new ATOM 0 HA PHE A 16 6.459 -8.288 -8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.090 -6.187 -8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.470 -6.718 -8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.567 -6.105 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.041 -4.313 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.467 -4.241 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.943 -2.465 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.067 -2.346 -4.594 1.00 0.00 H new ATOM 250 N LYS A 17 8.298 -6.989 -6.882 1.00 0.00 N ATOM 251 CA LYS A 17 9.447 -6.677 -6.051 1.00 0.00 C ATOM 252 C LYS A 17 9.452 -5.182 -5.800 1.00 0.00 C ATOM 253 O LYS A 17 9.439 -4.403 -6.745 1.00 0.00 O ATOM 254 CB LYS A 17 10.753 -7.173 -6.696 1.00 0.00 C ATOM 255 CG LYS A 17 11.394 -8.286 -5.857 1.00 0.00 C ATOM 256 CD LYS A 17 10.494 -9.522 -5.765 1.00 0.00 C ATOM 257 CE LYS A 17 10.673 -10.516 -6.919 1.00 0.00 C ATOM 258 NZ LYS A 17 11.923 -11.295 -6.795 1.00 0.00 N ATOM 0 H LYS A 17 8.438 -6.799 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 17 9.377 -7.196 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.549 -7.542 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.451 -6.342 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.352 -8.566 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.600 -7.912 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.694 -10.035 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.453 -9.199 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.823 -11.198 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.676 -9.975 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.002 -11.954 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.737 -10.648 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.910 -11.833 -5.905 1.00 0.00 H new ATOM 272 N CYS A 18 9.448 -4.798 -4.525 1.00 0.00 N ATOM 273 CA CYS A 18 9.473 -3.399 -4.144 1.00 0.00 C ATOM 274 C CYS A 18 10.747 -3.096 -3.387 1.00 0.00 C ATOM 275 O CYS A 18 11.032 -3.752 -2.380 1.00 0.00 O ATOM 276 CB CYS A 18 8.256 -3.038 -3.325 1.00 0.00 C ATOM 277 SG CYS A 18 8.177 -1.223 -3.331 1.00 0.00 S ATOM 0 H CYS A 18 9.427 -5.446 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 18 9.450 -2.790 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.353 -3.470 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.340 -3.423 -2.309 1.00 0.00 H new ATOM 0 HG CYS A 18 9.225 -0.741 -2.731 1.00 0.00 H new ATOM 283 N ASP A 19 11.508 -2.109 -3.859 1.00 0.00 N ATOM 284 CA ASP A 19 12.650 -1.624 -3.122 1.00 0.00 C ATOM 285 C ASP A 19 12.169 -0.986 -1.825 1.00 0.00 C ATOM 286 O ASP A 19 11.067 -0.464 -1.695 1.00 0.00 O ATOM 287 CB ASP A 19 13.553 -0.678 -3.924 1.00 0.00 C ATOM 288 CG ASP A 19 14.077 -1.278 -5.217 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.658 -2.380 -5.123 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.922 -0.616 -6.266 1.00 0.00 O ATOM 0 H ASP A 19 11.346 -1.637 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 19 13.285 -2.481 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.997 0.230 -4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.399 -0.384 -3.302 1.00 0.00 H new ATOM 295 N ASP A 20 13.052 -1.053 -0.858 1.00 0.00 N ATOM 296 CA ASP A 20 12.943 -0.612 0.515 1.00 0.00 C ATOM 297 C ASP A 20 13.095 0.907 0.605 1.00 0.00 C ATOM 298 O ASP A 20 12.699 1.507 1.601 1.00 0.00 O ATOM 299 CB ASP A 20 13.929 -1.432 1.389 1.00 0.00 C ATOM 300 CG ASP A 20 15.195 -1.948 0.682 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.061 -2.526 -0.428 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.323 -1.905 1.213 1.00 0.00 O ATOM 0 H ASP A 20 13.969 -1.464 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 20 11.949 -0.808 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.236 -0.813 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.393 -2.288 1.800 1.00 0.00 H new ATOM 307 N ASP A 21 13.588 1.522 -0.475 1.00 0.00 N ATOM 308 CA ASP A 21 13.748 2.958 -0.647 1.00 0.00 C ATOM 309 C ASP A 21 12.826 3.473 -1.762 1.00 0.00 C ATOM 310 O ASP A 21 13.079 4.544 -2.310 1.00 0.00 O ATOM 311 CB ASP A 21 15.218 3.259 -0.990 1.00 0.00 C ATOM 312 CG ASP A 21 16.181 2.965 0.151 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.056 3.644 1.193 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.051 2.091 -0.055 1.00 0.00 O ATOM 0 H ASP A 21 13.901 0.998 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 21 13.475 3.466 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.508 2.670 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.310 4.308 -1.271 1.00 0.00 H new ATOM 319 N VAL A 22 11.767 2.734 -2.126 1.00 0.00 N ATOM 320 CA VAL A 22 10.814 3.170 -3.144 1.00 0.00 C ATOM 321 C VAL A 22 9.396 2.920 -2.644 1.00 0.00 C ATOM 322 O VAL A 22 9.167 1.991 -1.868 1.00 0.00 O ATOM 323 CB VAL A 22 11.109 2.480 -4.491 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.481 1.094 -4.620 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.590 3.319 -5.654 1.00 0.00 C ATOM 0 H VAL A 22 11.552 1.822 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 22 10.916 4.241 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 22 12.194 2.376 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.731 0.670 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.865 0.446 -3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.398 1.175 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.809 2.813 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.512 3.451 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.077 4.294 -5.645 1.00 0.00 H new ATOM 335 N TYR A 23 8.441 3.757 -3.058 1.00 0.00 N ATOM 336 CA TYR A 23 7.063 3.568 -2.653 1.00 0.00 C ATOM 337 C TYR A 23 6.501 2.298 -3.285 1.00 0.00 C ATOM 338 O TYR A 23 6.834 1.973 -4.426 1.00 0.00 O ATOM 339 CB TYR A 23 6.195 4.775 -3.022 1.00 0.00 C ATOM 340 CG TYR A 23 6.520 6.059 -2.285 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.467 6.087 -0.881 1.00 0.00 C ATOM 342 CD2 TYR A 23 6.757 7.252 -2.994 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.621 7.298 -0.192 1.00 0.00 C ATOM 344 CE2 TYR A 23 6.944 8.459 -2.301 1.00 0.00 C ATOM 345 CZ TYR A 23 6.893 8.482 -0.898 1.00 0.00 C ATOM 346 OH TYR A 23 7.129 9.650 -0.237 1.00 0.00 O ATOM 0 H TYR A 23 8.602 4.560 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 23 7.044 3.468 -1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.291 4.956 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.152 4.522 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.307 5.172 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.795 7.239 -4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.530 7.321 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.127 9.372 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 23 7.565 9.459 0.620 1.00 0.00 H new ATOM 356 N VAL A 24 5.612 1.610 -2.558 1.00 0.00 N ATOM 357 CA VAL A 24 4.905 0.454 -3.095 1.00 0.00 C ATOM 358 C VAL A 24 4.268 0.821 -4.445 1.00 0.00 C ATOM 359 O VAL A 24 4.499 0.135 -5.439 1.00 0.00 O ATOM 360 CB VAL A 24 3.908 -0.130 -2.072 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.412 -1.497 -2.545 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.560 -0.382 -0.703 1.00 0.00 C ATOM 0 H VAL A 24 5.369 1.839 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 24 5.614 -0.352 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 24 3.105 0.602 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.709 -1.901 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.914 -1.390 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.259 -2.176 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.819 -0.793 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.382 -1.089 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.942 0.557 -0.304 1.00 0.00 H new ATOM 372 N LEU A 25 3.509 1.924 -4.489 1.00 0.00 N ATOM 373 CA LEU A 25 2.900 2.424 -5.722 1.00 0.00 C ATOM 374 C LEU A 25 3.932 2.643 -6.833 1.00 0.00 C ATOM 375 O LEU A 25 3.768 2.070 -7.905 1.00 0.00 O ATOM 376 CB LEU A 25 2.031 3.659 -5.437 1.00 0.00 C ATOM 377 CG LEU A 25 1.742 4.551 -6.664 1.00 0.00 C ATOM 378 CD1 LEU A 25 0.251 4.815 -6.820 1.00 0.00 C ATOM 379 CD2 LEU A 25 2.449 5.902 -6.535 1.00 0.00 C ATOM 0 H LEU A 25 3.302 2.493 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 25 2.232 1.654 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.082 3.327 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.524 4.263 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 25 2.113 4.013 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.083 5.446 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.274 3.869 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.124 5.320 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.230 6.512 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.096 6.413 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.525 5.744 -6.462 1.00 0.00 H new ATOM 391 N ASP A 26 4.965 3.464 -6.612 1.00 0.00 N ATOM 392 CA ASP A 26 5.932 3.826 -7.642 1.00 0.00 C ATOM 393 C ASP A 26 6.386 2.585 -8.415 1.00 0.00 C ATOM 394 O ASP A 26 6.154 2.452 -9.618 1.00 0.00 O ATOM 395 CB ASP A 26 7.142 4.515 -6.987 1.00 0.00 C ATOM 396 CG ASP A 26 6.934 5.989 -6.658 1.00 0.00 C ATOM 397 OD1 ASP A 26 5.835 6.325 -6.171 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.900 6.759 -6.845 1.00 0.00 O ATOM 0 H ASP A 26 5.150 3.896 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 26 5.461 4.512 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.393 3.984 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.000 4.423 -7.653 1.00 0.00 H new ATOM 403 N GLN A 27 7.033 1.656 -7.709 1.00 0.00 N ATOM 404 CA GLN A 27 7.617 0.500 -8.345 1.00 0.00 C ATOM 405 C GLN A 27 6.540 -0.456 -8.864 1.00 0.00 C ATOM 406 O GLN A 27 6.708 -1.044 -9.929 1.00 0.00 O ATOM 407 CB GLN A 27 8.633 -0.120 -7.390 1.00 0.00 C ATOM 408 CG GLN A 27 9.477 -1.177 -8.099 1.00 0.00 C ATOM 409 CD GLN A 27 10.864 -1.281 -7.471 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.089 -2.070 -6.564 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.799 -0.442 -7.896 1.00 0.00 N ATOM 0 H GLN A 27 7.160 1.692 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 27 8.164 0.784 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.281 0.658 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.114 -0.571 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.976 -2.144 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.570 -0.925 -9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.594 0.209 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.724 -0.448 -7.465 1.00 0.00 H new ATOM 420 N ALA A 28 5.408 -0.580 -8.165 1.00 0.00 N ATOM 421 CA ALA A 28 4.258 -1.306 -8.689 1.00 0.00 C ATOM 422 C ALA A 28 3.897 -0.817 -10.093 1.00 0.00 C ATOM 423 O ALA A 28 3.869 -1.609 -11.040 1.00 0.00 O ATOM 424 CB ALA A 28 3.084 -1.139 -7.729 1.00 0.00 C ATOM 0 H ALA A 28 5.268 -0.185 -7.235 1.00 0.00 H new ATOM 0 HA ALA A 28 4.505 -2.365 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.219 -1.679 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.354 -1.537 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.838 -0.081 -7.635 1.00 0.00 H new ATOM 430 N GLU A 29 3.623 0.481 -10.237 1.00 0.00 N ATOM 431 CA GLU A 29 3.305 1.056 -11.533 1.00 0.00 C ATOM 432 C GLU A 29 4.435 0.743 -12.522 1.00 0.00 C ATOM 433 O GLU A 29 4.153 0.355 -13.653 1.00 0.00 O ATOM 434 CB GLU A 29 3.052 2.566 -11.428 1.00 0.00 C ATOM 435 CG GLU A 29 1.740 2.880 -10.695 1.00 0.00 C ATOM 436 CD GLU A 29 1.450 4.376 -10.706 1.00 0.00 C ATOM 437 OE1 GLU A 29 2.191 5.107 -10.017 1.00 0.00 O ATOM 438 OE2 GLU A 29 0.504 4.769 -11.423 1.00 0.00 O ATOM 0 H GLU A 29 3.617 1.150 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 29 2.382 0.608 -11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.883 3.037 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.021 2.999 -12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.918 2.344 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.801 2.526 -9.666 1.00 0.00 H new ATOM 445 N GLU A 30 5.702 0.844 -12.095 1.00 0.00 N ATOM 446 CA GLU A 30 6.837 0.435 -12.925 1.00 0.00 C ATOM 447 C GLU A 30 6.735 -0.998 -13.444 1.00 0.00 C ATOM 448 O GLU A 30 7.086 -1.261 -14.595 1.00 0.00 O ATOM 449 CB GLU A 30 8.189 0.739 -12.270 1.00 0.00 C ATOM 450 CG GLU A 30 8.365 2.241 -11.981 1.00 0.00 C ATOM 451 CD GLU A 30 9.549 2.827 -12.740 1.00 0.00 C ATOM 452 OE1 GLU A 30 9.328 3.273 -13.887 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.661 2.796 -12.169 1.00 0.00 O ATOM 0 H GLU A 30 5.963 1.206 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 30 6.782 1.062 -13.815 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.275 0.178 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.993 0.399 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.455 2.774 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.509 2.391 -10.911 1.00 0.00 H new ATOM 460 N GLU A 31 6.239 -1.927 -12.631 1.00 0.00 N ATOM 461 CA GLU A 31 6.082 -3.312 -13.073 1.00 0.00 C ATOM 462 C GLU A 31 4.881 -3.423 -14.009 1.00 0.00 C ATOM 463 O GLU A 31 4.808 -4.316 -14.850 1.00 0.00 O ATOM 464 CB GLU A 31 5.937 -4.233 -11.862 1.00 0.00 C ATOM 465 CG GLU A 31 7.090 -3.963 -10.888 1.00 0.00 C ATOM 466 CD GLU A 31 7.997 -5.187 -10.674 1.00 0.00 C ATOM 467 OE1 GLU A 31 8.435 -5.739 -11.706 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.222 -5.588 -9.506 1.00 0.00 O ATOM 0 H GLU A 31 5.941 -1.750 -11.672 1.00 0.00 H new ATOM 0 HA GLU A 31 6.969 -3.623 -13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.980 -4.060 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.948 -5.276 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.690 -3.135 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.681 -3.649 -9.928 1.00 0.00 H new ATOM 475 N GLY A 32 3.939 -2.498 -13.836 1.00 0.00 N ATOM 476 CA GLY A 32 2.749 -2.343 -14.659 1.00 0.00 C ATOM 477 C GLY A 32 1.485 -2.507 -13.825 1.00 0.00 C ATOM 478 O GLY A 32 0.400 -2.682 -14.374 1.00 0.00 O ATOM 0 H GLY A 32 3.990 -1.809 -13.086 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.753 -1.360 -15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.758 -3.081 -15.461 1.00 0.00 H new ATOM 482 N ILE A 33 1.612 -2.478 -12.496 1.00 0.00 N ATOM 483 CA ILE A 33 0.475 -2.666 -11.615 1.00 0.00 C ATOM 484 C ILE A 33 -0.386 -1.410 -11.580 1.00 0.00 C ATOM 485 O ILE A 33 0.055 -0.348 -11.146 1.00 0.00 O ATOM 486 CB ILE A 33 0.980 -2.985 -10.215 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.779 -4.291 -10.239 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.172 -3.030 -9.202 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.550 -4.573 -8.949 1.00 0.00 C ATOM 0 H ILE A 33 2.497 -2.325 -12.013 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.134 -3.490 -11.986 1.00 0.00 H new ATOM 0 HB ILE A 33 1.646 -2.186 -9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.096 -5.119 -10.430 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.483 -4.259 -11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.223 -3.260 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.673 -2.062 -9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.885 -3.800 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.089 -5.515 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.259 -3.766 -8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.852 -4.639 -8.115 1.00 0.00 H new ATOM 501 N ASP A 34 -1.653 -1.570 -11.949 1.00 0.00 N ATOM 502 CA ASP A 34 -2.652 -0.522 -11.842 1.00 0.00 C ATOM 503 C ASP A 34 -3.251 -0.559 -10.434 1.00 0.00 C ATOM 504 O ASP A 34 -4.291 -1.177 -10.200 1.00 0.00 O ATOM 505 CB ASP A 34 -3.693 -0.748 -12.936 1.00 0.00 C ATOM 506 CG ASP A 34 -4.584 0.468 -13.155 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.341 0.812 -12.224 1.00 0.00 O ATOM 508 OD2 ASP A 34 -4.500 1.031 -14.268 1.00 0.00 O ATOM 0 H ASP A 34 -2.015 -2.442 -12.335 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.225 0.470 -11.986 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.187 -0.996 -13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.312 -1.605 -12.672 1.00 0.00 H new ATOM 513 N ILE A 35 -2.554 0.026 -9.457 1.00 0.00 N ATOM 514 CA ILE A 35 -3.136 0.230 -8.141 1.00 0.00 C ATOM 515 C ILE A 35 -4.132 1.396 -8.237 1.00 0.00 C ATOM 516 O ILE A 35 -3.990 2.256 -9.105 1.00 0.00 O ATOM 517 CB ILE A 35 -2.011 0.425 -7.096 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.951 -0.713 -6.077 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.895 1.816 -6.460 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.768 -0.562 -5.112 1.00 0.00 C ATOM 0 H ILE A 35 -1.596 0.362 -9.556 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.696 -0.640 -7.799 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.104 0.371 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.881 -0.739 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.871 -1.665 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.071 1.822 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.708 2.557 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.824 2.058 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.766 -1.393 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.164 -0.563 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.861 0.377 -4.566 1.00 0.00 H new ATOM 532 N PRO A 36 -5.131 1.457 -7.345 1.00 0.00 N ATOM 533 CA PRO A 36 -6.025 2.595 -7.271 1.00 0.00 C ATOM 534 C PRO A 36 -5.193 3.801 -6.849 1.00 0.00 C ATOM 535 O PRO A 36 -4.358 3.677 -5.959 1.00 0.00 O ATOM 536 CB PRO A 36 -7.087 2.240 -6.230 1.00 0.00 C ATOM 537 CG PRO A 36 -6.515 1.054 -5.448 1.00 0.00 C ATOM 538 CD PRO A 36 -5.247 0.616 -6.178 1.00 0.00 C ATOM 0 HA PRO A 36 -6.513 2.831 -8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.288 3.084 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.031 1.977 -6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.290 1.340 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.236 0.238 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.373 0.723 -5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.307 -0.435 -6.462 1.00 0.00 H new ATOM 546 N TYR A 37 -5.367 4.934 -7.527 1.00 0.00 N ATOM 547 CA TYR A 37 -4.479 6.071 -7.391 1.00 0.00 C ATOM 548 C TYR A 37 -5.119 7.265 -8.090 1.00 0.00 C ATOM 549 O TYR A 37 -5.948 7.082 -8.982 1.00 0.00 O ATOM 550 CB TYR A 37 -3.128 5.717 -8.028 1.00 0.00 C ATOM 551 CG TYR A 37 -2.191 6.891 -8.171 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.601 7.441 -7.022 1.00 0.00 C ATOM 553 CD2 TYR A 37 -2.033 7.528 -9.416 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.799 8.581 -7.135 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.324 8.738 -9.501 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.721 9.272 -8.354 1.00 0.00 C ATOM 557 OH TYR A 37 -0.241 10.547 -8.367 1.00 0.00 O ATOM 0 H TYR A 37 -6.131 5.083 -8.186 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.314 6.322 -6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.643 4.950 -7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.304 5.284 -9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.766 6.986 -6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.457 7.087 -10.306 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.238 8.931 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.244 9.254 -10.446 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.593 11.037 -7.594 1.00 0.00 H new ATOM 567 N SER A 38 -4.732 8.482 -7.697 1.00 0.00 N ATOM 568 CA SER A 38 -5.128 9.712 -8.372 1.00 0.00 C ATOM 569 C SER A 38 -4.299 10.889 -7.848 1.00 0.00 C ATOM 570 O SER A 38 -3.720 11.650 -8.621 1.00 0.00 O ATOM 571 CB SER A 38 -6.634 9.957 -8.185 1.00 0.00 C ATOM 572 OG SER A 38 -7.018 9.813 -6.832 1.00 0.00 O ATOM 0 H SER A 38 -4.127 8.638 -6.891 1.00 0.00 H new ATOM 0 HA SER A 38 -4.935 9.615 -9.440 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.886 10.959 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.197 9.256 -8.801 1.00 0.00 H new ATOM 0 HG SER A 38 -7.980 9.977 -6.746 1.00 0.00 H new ATOM 578 N CYS A 39 -4.283 11.022 -6.526 1.00 0.00 N ATOM 579 CA CYS A 39 -3.721 12.124 -5.758 1.00 0.00 C ATOM 580 C CYS A 39 -2.274 11.804 -5.331 1.00 0.00 C ATOM 581 O CYS A 39 -1.586 11.136 -6.097 1.00 0.00 O ATOM 582 CB CYS A 39 -4.716 12.481 -4.670 1.00 0.00 C ATOM 583 SG CYS A 39 -5.660 11.139 -3.850 1.00 0.00 S ATOM 0 H CYS A 39 -4.692 10.310 -5.921 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.591 13.036 -6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.175 13.023 -3.895 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.438 13.175 -5.100 1.00 0.00 H new ATOM 588 N ARG A 40 -1.767 12.312 -4.196 1.00 0.00 N ATOM 589 CA ARG A 40 -0.475 11.988 -3.567 1.00 0.00 C ATOM 590 C ARG A 40 -0.199 13.008 -2.461 1.00 0.00 C ATOM 591 O ARG A 40 -0.953 13.964 -2.307 1.00 0.00 O ATOM 592 CB ARG A 40 0.731 11.901 -4.547 1.00 0.00 C ATOM 593 CG ARG A 40 1.379 10.505 -4.482 1.00 0.00 C ATOM 594 CD ARG A 40 2.202 10.110 -5.720 1.00 0.00 C ATOM 595 NE ARG A 40 3.614 10.526 -5.653 1.00 0.00 N ATOM 596 CZ ARG A 40 4.133 11.633 -6.207 1.00 0.00 C ATOM 597 NH1 ARG A 40 3.320 12.592 -6.662 1.00 0.00 N ATOM 598 NH2 ARG A 40 5.460 11.770 -6.309 1.00 0.00 N ATOM 0 H ARG A 40 -2.283 13.007 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.570 10.980 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.396 12.106 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.468 12.663 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.026 10.462 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.594 9.763 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.157 9.028 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.744 10.552 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 40 4.254 9.919 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.309 12.481 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.711 13.435 -7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.077 11.033 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.855 12.611 -6.730 1.00 0.00 H new ATOM 612 N ALA A 41 0.909 12.807 -1.735 1.00 0.00 N ATOM 613 CA ALA A 41 1.434 13.614 -0.631 1.00 0.00 C ATOM 614 C ALA A 41 1.152 12.934 0.706 1.00 0.00 C ATOM 615 O ALA A 41 2.038 12.878 1.554 1.00 0.00 O ATOM 616 CB ALA A 41 0.972 15.077 -0.632 1.00 0.00 C ATOM 0 H ALA A 41 1.511 12.006 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 41 2.511 13.669 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.409 15.597 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.293 15.559 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.115 15.115 -0.561 1.00 0.00 H new ATOM 622 N GLY A 42 -0.056 12.390 0.879 1.00 0.00 N ATOM 623 CA GLY A 42 -0.393 11.532 2.007 1.00 0.00 C ATOM 624 C GLY A 42 -1.559 12.063 2.837 1.00 0.00 C ATOM 625 O GLY A 42 -2.196 11.293 3.557 1.00 0.00 O ATOM 0 H GLY A 42 -0.831 12.537 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.642 10.537 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.482 11.424 2.648 1.00 0.00 H new ATOM 629 N SER A 43 -1.826 13.369 2.754 1.00 0.00 N ATOM 630 CA SER A 43 -3.023 14.027 3.259 1.00 0.00 C ATOM 631 C SER A 43 -3.927 14.330 2.066 1.00 0.00 C ATOM 632 O SER A 43 -4.244 15.486 1.788 1.00 0.00 O ATOM 633 CB SER A 43 -2.619 15.294 4.030 1.00 0.00 C ATOM 634 OG SER A 43 -1.365 15.777 3.570 1.00 0.00 O ATOM 0 H SER A 43 -1.180 14.023 2.311 1.00 0.00 H new ATOM 0 HA SER A 43 -3.571 13.392 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.381 16.063 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.562 15.076 5.096 1.00 0.00 H new ATOM 0 HG SER A 43 -1.122 16.585 4.069 1.00 0.00 H new ATOM 640 N CYS A 44 -4.309 13.274 1.351 1.00 0.00 N ATOM 641 CA CYS A 44 -5.075 13.352 0.125 1.00 0.00 C ATOM 642 C CYS A 44 -6.407 12.603 0.303 1.00 0.00 C ATOM 643 O CYS A 44 -7.049 12.805 1.333 1.00 0.00 O ATOM 644 CB CYS A 44 -4.171 12.985 -1.030 1.00 0.00 C ATOM 645 SG CYS A 44 -3.090 11.517 -0.941 1.00 0.00 S ATOM 0 H CYS A 44 -4.084 12.317 1.623 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.410 14.357 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.806 12.862 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.528 13.845 -1.219 1.00 0.00 H new ATOM 650 N SER A 45 -6.874 11.818 -0.674 1.00 0.00 N ATOM 651 CA SER A 45 -8.205 11.211 -0.641 1.00 0.00 C ATOM 652 C SER A 45 -8.284 10.079 0.391 1.00 0.00 C ATOM 653 O SER A 45 -8.554 10.340 1.563 1.00 0.00 O ATOM 654 CB SER A 45 -8.640 10.781 -2.049 1.00 0.00 C ATOM 655 OG SER A 45 -8.634 11.908 -2.904 1.00 0.00 O ATOM 0 H SER A 45 -6.337 11.587 -1.510 1.00 0.00 H new ATOM 0 HA SER A 45 -8.921 11.963 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.966 10.015 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.636 10.340 -2.016 1.00 0.00 H new ATOM 0 HG SER A 45 -7.783 11.946 -3.389 1.00 0.00 H new ATOM 661 N SER A 46 -8.055 8.827 -0.020 1.00 0.00 N ATOM 662 CA SER A 46 -8.004 7.713 0.911 1.00 0.00 C ATOM 663 C SER A 46 -7.183 6.544 0.351 1.00 0.00 C ATOM 664 O SER A 46 -6.235 6.114 1.005 1.00 0.00 O ATOM 665 CB SER A 46 -9.414 7.307 1.387 1.00 0.00 C ATOM 666 OG SER A 46 -10.446 8.029 0.733 1.00 0.00 O ATOM 0 H SER A 46 -7.903 8.568 -0.995 1.00 0.00 H new ATOM 0 HA SER A 46 -7.474 8.044 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.558 6.240 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.490 7.468 2.462 1.00 0.00 H new ATOM 0 HG SER A 46 -11.317 7.732 1.070 1.00 0.00 H new ATOM 672 N CYS A 47 -7.574 6.033 -0.824 1.00 0.00 N ATOM 673 CA CYS A 47 -6.922 5.025 -1.671 1.00 0.00 C ATOM 674 C CYS A 47 -5.984 4.003 -0.975 1.00 0.00 C ATOM 675 O CYS A 47 -4.926 3.614 -1.459 1.00 0.00 O ATOM 676 CB CYS A 47 -6.518 5.645 -3.008 1.00 0.00 C ATOM 677 SG CYS A 47 -4.798 5.861 -3.580 1.00 0.00 S ATOM 0 H CYS A 47 -8.446 6.349 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.663 4.270 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.018 5.055 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.967 6.638 -3.026 1.00 0.00 H new ATOM 682 N ALA A 48 -6.441 3.478 0.168 1.00 0.00 N ATOM 683 CA ALA A 48 -5.671 2.597 1.043 1.00 0.00 C ATOM 684 C ALA A 48 -5.686 1.137 0.587 1.00 0.00 C ATOM 685 O ALA A 48 -6.364 0.760 -0.375 1.00 0.00 O ATOM 686 CB ALA A 48 -6.213 2.744 2.464 1.00 0.00 C ATOM 0 H ALA A 48 -7.382 3.661 0.516 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.624 2.897 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.652 2.094 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.108 3.779 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.266 2.463 2.483 1.00 0.00 H new ATOM 692 N GLY A 49 -4.955 0.305 1.338 1.00 0.00 N ATOM 693 CA GLY A 49 -4.919 -1.140 1.226 1.00 0.00 C ATOM 694 C GLY A 49 -4.900 -1.781 2.616 1.00 0.00 C ATOM 695 O GLY A 49 -4.667 -1.083 3.600 1.00 0.00 O ATOM 0 H GLY A 49 -4.343 0.650 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.788 -1.490 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.036 -1.446 0.665 1.00 0.00 H new ATOM 699 N LYS A 50 -5.158 -3.093 2.705 1.00 0.00 N ATOM 700 CA LYS A 50 -5.250 -3.864 3.933 1.00 0.00 C ATOM 701 C LYS A 50 -3.985 -4.690 4.156 1.00 0.00 C ATOM 702 O LYS A 50 -3.745 -5.631 3.413 1.00 0.00 O ATOM 703 CB LYS A 50 -6.481 -4.769 3.834 1.00 0.00 C ATOM 704 CG LYS A 50 -7.103 -5.058 5.200 1.00 0.00 C ATOM 705 CD LYS A 50 -8.568 -5.437 4.988 1.00 0.00 C ATOM 706 CE LYS A 50 -9.348 -5.261 6.297 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.801 -5.146 6.036 1.00 0.00 N ATOM 0 H LYS A 50 -5.315 -3.666 1.876 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.348 -3.193 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.225 -4.297 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.200 -5.709 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.569 -5.868 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.026 -4.183 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.005 -4.814 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.640 -6.470 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.159 -6.110 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.996 -4.370 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.162 -4.269 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.969 -5.125 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.294 -5.962 6.451 1.00 0.00 H new ATOM 721 N VAL A 51 -3.171 -4.364 5.158 1.00 0.00 N ATOM 722 CA VAL A 51 -2.018 -5.163 5.544 1.00 0.00 C ATOM 723 C VAL A 51 -2.488 -6.556 5.978 1.00 0.00 C ATOM 724 O VAL A 51 -3.211 -6.687 6.962 1.00 0.00 O ATOM 725 CB VAL A 51 -1.259 -4.462 6.689 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.033 -5.272 7.132 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.806 -3.056 6.278 1.00 0.00 C ATOM 0 H VAL A 51 -3.298 -3.528 5.729 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.341 -5.269 4.696 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.956 -4.386 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.477 -4.748 7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.352 -6.254 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.648 -5.391 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.274 -2.588 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.144 -3.125 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.677 -2.454 6.020 1.00 0.00 H new ATOM 737 N VAL A 52 -2.060 -7.592 5.255 1.00 0.00 N ATOM 738 CA VAL A 52 -2.317 -8.986 5.587 1.00 0.00 C ATOM 739 C VAL A 52 -1.167 -9.514 6.442 1.00 0.00 C ATOM 740 O VAL A 52 -1.402 -10.170 7.454 1.00 0.00 O ATOM 741 CB VAL A 52 -2.464 -9.805 4.296 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.680 -11.299 4.571 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.621 -9.273 3.449 1.00 0.00 C ATOM 0 H VAL A 52 -1.512 -7.478 4.402 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.244 -9.073 6.153 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.526 -9.697 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.778 -11.833 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.828 -11.694 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.588 -11.433 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.709 -9.866 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.549 -9.341 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.431 -8.232 3.187 1.00 0.00 H new ATOM 753 N SER A 53 0.081 -9.268 6.029 1.00 0.00 N ATOM 754 CA SER A 53 1.246 -9.721 6.779 1.00 0.00 C ATOM 755 C SER A 53 2.485 -8.934 6.364 1.00 0.00 C ATOM 756 O SER A 53 2.429 -8.132 5.433 1.00 0.00 O ATOM 757 CB SER A 53 1.466 -11.229 6.586 1.00 0.00 C ATOM 758 OG SER A 53 2.367 -11.707 7.570 1.00 0.00 O ATOM 0 H SER A 53 0.305 -8.756 5.176 1.00 0.00 H new ATOM 0 HA SER A 53 1.064 -9.541 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.516 -11.758 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.862 -11.425 5.590 1.00 0.00 H new ATOM 0 HG SER A 53 2.505 -12.669 7.447 1.00 0.00 H new ATOM 764 N GLY A 54 3.596 -9.195 7.053 1.00 0.00 N ATOM 765 CA GLY A 54 4.818 -8.407 6.979 1.00 0.00 C ATOM 766 C GLY A 54 4.662 -7.093 7.742 1.00 0.00 C ATOM 767 O GLY A 54 3.770 -6.952 8.579 1.00 0.00 O ATOM 0 H GLY A 54 3.669 -9.984 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.650 -8.977 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.061 -8.201 5.937 1.00 0.00 H new ATOM 771 N SER A 55 5.521 -6.117 7.445 1.00 0.00 N ATOM 772 CA SER A 55 5.376 -4.744 7.892 1.00 0.00 C ATOM 773 C SER A 55 6.039 -3.845 6.862 1.00 0.00 C ATOM 774 O SER A 55 6.698 -4.333 5.944 1.00 0.00 O ATOM 775 CB SER A 55 5.997 -4.533 9.271 1.00 0.00 C ATOM 776 OG SER A 55 5.666 -3.251 9.776 1.00 0.00 O ATOM 0 H SER A 55 6.353 -6.269 6.874 1.00 0.00 H new ATOM 0 HA SER A 55 4.317 -4.501 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.643 -5.303 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.080 -4.636 9.208 1.00 0.00 H new ATOM 0 HG SER A 55 6.071 -3.133 10.661 1.00 0.00 H new ATOM 782 N ILE A 56 5.805 -2.546 7.025 1.00 0.00 N ATOM 783 CA ILE A 56 6.075 -1.483 6.082 1.00 0.00 C ATOM 784 C ILE A 56 6.083 -0.169 6.858 1.00 0.00 C ATOM 785 O ILE A 56 5.511 -0.115 7.949 1.00 0.00 O ATOM 786 CB ILE A 56 4.980 -1.468 5.003 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.565 -1.371 5.595 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.058 -2.711 4.119 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.489 -1.555 4.525 1.00 0.00 C ATOM 0 H ILE A 56 5.391 -2.190 7.887 1.00 0.00 H new ATOM 0 HA ILE A 56 7.036 -1.629 5.589 1.00 0.00 H new ATOM 0 HB ILE A 56 5.165 -0.575 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.442 -2.129 6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.438 -0.401 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.271 -2.672 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.030 -2.747 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.929 -3.603 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.503 -1.480 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.596 -0.781 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.600 -2.536 4.062 1.00 0.00 H new ATOM 801 N ASP A 57 6.698 0.877 6.302 1.00 0.00 N ATOM 802 CA ASP A 57 6.738 2.202 6.896 1.00 0.00 C ATOM 803 C ASP A 57 5.968 3.152 5.986 1.00 0.00 C ATOM 804 O ASP A 57 6.410 3.429 4.872 1.00 0.00 O ATOM 805 CB ASP A 57 8.196 2.655 7.058 1.00 0.00 C ATOM 806 CG ASP A 57 8.291 4.066 7.624 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.224 4.625 7.964 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.429 4.565 7.727 1.00 0.00 O ATOM 0 H ASP A 57 7.189 0.819 5.410 1.00 0.00 H new ATOM 0 HA ASP A 57 6.280 2.195 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.720 1.963 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.698 2.617 6.091 1.00 0.00 H new ATOM 813 N GLN A 58 4.806 3.624 6.443 1.00 0.00 N ATOM 814 CA GLN A 58 4.052 4.678 5.787 1.00 0.00 C ATOM 815 C GLN A 58 4.149 5.995 6.562 1.00 0.00 C ATOM 816 O GLN A 58 3.179 6.743 6.595 1.00 0.00 O ATOM 817 CB GLN A 58 2.610 4.201 5.578 1.00 0.00 C ATOM 818 CG GLN A 58 2.053 3.598 6.858 1.00 0.00 C ATOM 819 CD GLN A 58 0.541 3.467 6.831 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.173 4.049 6.019 1.00 0.00 O ATOM 821 NE2 GLN A 58 0.039 2.639 7.725 1.00 0.00 N ATOM 0 H GLN A 58 4.362 3.275 7.292 1.00 0.00 H new ATOM 0 HA GLN A 58 4.479 4.889 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.987 5.038 5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.579 3.461 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.497 2.615 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.345 4.219 7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.656 2.169 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.966 2.468 7.754 1.00 0.00 H new ATOM 830 N SER A 59 5.308 6.316 7.153 1.00 0.00 N ATOM 831 CA SER A 59 5.572 7.619 7.767 1.00 0.00 C ATOM 832 C SER A 59 5.079 8.762 6.871 1.00 0.00 C ATOM 833 O SER A 59 4.473 9.716 7.354 1.00 0.00 O ATOM 834 CB SER A 59 7.073 7.757 8.072 1.00 0.00 C ATOM 835 OG SER A 59 7.336 8.962 8.767 1.00 0.00 O ATOM 0 H SER A 59 6.095 5.670 7.217 1.00 0.00 H new ATOM 0 HA SER A 59 5.020 7.683 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.407 6.908 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.641 7.737 7.142 1.00 0.00 H new ATOM 0 HG SER A 59 8.296 9.030 8.953 1.00 0.00 H new ATOM 841 N ASP A 60 5.287 8.626 5.558 1.00 0.00 N ATOM 842 CA ASP A 60 4.912 9.572 4.514 1.00 0.00 C ATOM 843 C ASP A 60 3.392 9.788 4.401 1.00 0.00 C ATOM 844 O ASP A 60 2.956 10.576 3.561 1.00 0.00 O ATOM 845 CB ASP A 60 5.475 9.098 3.156 1.00 0.00 C ATOM 846 CG ASP A 60 6.936 8.659 3.173 1.00 0.00 C ATOM 847 OD1 ASP A 60 7.260 7.843 4.064 1.00 0.00 O ATOM 848 OD2 ASP A 60 7.683 9.081 2.255 1.00 0.00 O ATOM 0 H ASP A 60 5.750 7.801 5.177 1.00 0.00 H new ATOM 0 HA ASP A 60 5.343 10.533 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.867 8.266 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.364 9.906 2.433 1.00 0.00 H new ATOM 853 N GLN A 61 2.568 9.085 5.186 1.00 0.00 N ATOM 854 CA GLN A 61 1.135 9.316 5.273 1.00 0.00 C ATOM 855 C GLN A 61 0.833 10.648 5.957 1.00 0.00 C ATOM 856 O GLN A 61 1.656 11.183 6.697 1.00 0.00 O ATOM 857 CB GLN A 61 0.477 8.167 6.058 1.00 0.00 C ATOM 858 CG GLN A 61 0.803 8.228 7.566 1.00 0.00 C ATOM 859 CD GLN A 61 0.577 6.892 8.268 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.452 6.366 8.948 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.616 6.330 8.125 1.00 0.00 N ATOM 0 H GLN A 61 2.892 8.327 5.787 1.00 0.00 H new ATOM 0 HA GLN A 61 0.729 9.353 4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.603 8.207 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.815 7.213 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.841 8.533 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.184 8.992 8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.329 6.785 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.820 5.443 8.585 1.00 0.00 H new ATOM 870 N SER A 62 -0.392 11.145 5.790 1.00 0.00 N ATOM 871 CA SER A 62 -0.975 12.142 6.678 1.00 0.00 C ATOM 872 C SER A 62 -2.494 11.979 6.632 1.00 0.00 C ATOM 873 O SER A 62 -3.219 12.937 6.368 1.00 0.00 O ATOM 874 CB SER A 62 -0.512 13.553 6.288 1.00 0.00 C ATOM 875 OG SER A 62 0.826 13.781 6.681 1.00 0.00 O ATOM 0 H SER A 62 -1.010 10.863 5.029 1.00 0.00 H new ATOM 0 HA SER A 62 -0.639 11.995 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.604 13.683 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.162 14.293 6.755 1.00 0.00 H new ATOM 0 HG SER A 62 1.263 12.924 6.868 1.00 0.00 H new ATOM 881 N PHE A 63 -2.969 10.753 6.878 1.00 0.00 N ATOM 882 CA PHE A 63 -4.388 10.427 6.847 1.00 0.00 C ATOM 883 C PHE A 63 -4.727 9.263 7.782 1.00 0.00 C ATOM 884 O PHE A 63 -5.474 9.490 8.728 1.00 0.00 O ATOM 885 CB PHE A 63 -4.864 10.207 5.404 1.00 0.00 C ATOM 886 CG PHE A 63 -6.175 9.466 5.259 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.285 9.766 6.075 1.00 0.00 C ATOM 888 CD2 PHE A 63 -6.249 8.402 4.347 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.434 8.960 6.026 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.377 7.577 4.330 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.478 7.862 5.154 1.00 0.00 C ATOM 0 H PHE A 63 -2.371 9.958 7.105 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.944 11.281 7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.960 11.178 4.919 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.093 9.656 4.865 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.252 10.617 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.436 8.221 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.281 9.185 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.402 6.715 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.358 7.236 5.116 1.00 0.00 H new ATOM 901 N LEU A 64 -4.244 8.032 7.527 1.00 0.00 N ATOM 902 CA LEU A 64 -4.802 6.881 8.229 1.00 0.00 C ATOM 903 C LEU A 64 -4.648 7.023 9.734 1.00 0.00 C ATOM 904 O LEU A 64 -3.609 7.476 10.215 1.00 0.00 O ATOM 905 CB LEU A 64 -4.185 5.539 7.817 1.00 0.00 C ATOM 906 CG LEU A 64 -4.694 5.003 6.474 1.00 0.00 C ATOM 907 CD1 LEU A 64 -3.983 5.670 5.300 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.423 3.500 6.464 1.00 0.00 C ATOM 0 H LEU A 64 -3.497 7.821 6.865 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.854 6.873 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.102 5.650 7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.393 4.802 8.593 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.757 5.218 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.369 5.266 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.159 6.745 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.912 5.476 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.770 3.074 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.353 3.323 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.952 3.029 7.293 1.00 0.00 H new ATOM 920 N ASP A 65 -5.678 6.593 10.457 1.00 0.00 N ATOM 921 CA ASP A 65 -5.708 6.671 11.902 1.00 0.00 C ATOM 922 C ASP A 65 -5.034 5.442 12.502 1.00 0.00 C ATOM 923 O ASP A 65 -4.827 4.430 11.825 1.00 0.00 O ATOM 924 CB ASP A 65 -7.156 6.782 12.391 1.00 0.00 C ATOM 925 CG ASP A 65 -7.954 7.828 11.625 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.421 7.463 10.523 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.070 8.959 12.143 1.00 0.00 O ATOM 0 H ASP A 65 -6.516 6.180 10.049 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.164 7.559 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.645 5.813 12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.159 7.033 13.452 1.00 0.00 H new ATOM 932 N ASP A 66 -4.743 5.520 13.801 1.00 0.00 N ATOM 933 CA ASP A 66 -4.203 4.415 14.579 1.00 0.00 C ATOM 934 C ASP A 66 -5.119 3.214 14.408 1.00 0.00 C ATOM 935 O ASP A 66 -4.653 2.102 14.183 1.00 0.00 O ATOM 936 CB ASP A 66 -4.111 4.806 16.060 1.00 0.00 C ATOM 937 CG ASP A 66 -3.139 5.952 16.281 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.573 7.099 16.037 1.00 0.00 O ATOM 939 OD2 ASP A 66 -1.988 5.662 16.672 1.00 0.00 O ATOM 0 H ASP A 66 -4.880 6.370 14.348 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.200 4.169 14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.098 5.092 16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.794 3.943 16.645 1.00 0.00 H new ATOM 944 N GLU A 67 -6.429 3.471 14.482 1.00 0.00 N ATOM 945 CA GLU A 67 -7.464 2.472 14.331 1.00 0.00 C ATOM 946 C GLU A 67 -7.227 1.683 13.055 1.00 0.00 C ATOM 947 O GLU A 67 -7.011 0.482 13.103 1.00 0.00 O ATOM 948 CB GLU A 67 -8.858 3.119 14.310 1.00 0.00 C ATOM 949 CG GLU A 67 -8.956 4.433 15.082 1.00 0.00 C ATOM 950 CD GLU A 67 -10.406 4.755 15.427 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.244 4.637 14.507 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.653 5.083 16.607 1.00 0.00 O ATOM 0 H GLU A 67 -6.797 4.407 14.653 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.424 1.797 15.186 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.146 3.298 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.579 2.414 14.724 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.367 4.367 15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.531 5.242 14.487 1.00 0.00 H new ATOM 959 N GLN A 68 -7.263 2.361 11.909 1.00 0.00 N ATOM 960 CA GLN A 68 -7.078 1.735 10.617 1.00 0.00 C ATOM 961 C GLN A 68 -5.769 0.941 10.561 1.00 0.00 C ATOM 962 O GLN A 68 -5.760 -0.227 10.170 1.00 0.00 O ATOM 963 CB GLN A 68 -7.140 2.806 9.535 1.00 0.00 C ATOM 964 CG GLN A 68 -8.535 3.421 9.501 1.00 0.00 C ATOM 965 CD GLN A 68 -8.584 4.624 8.588 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.559 5.167 8.193 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.783 5.008 8.199 1.00 0.00 N ATOM 0 H GLN A 68 -7.423 3.367 11.859 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.878 1.015 10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.396 3.578 9.731 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.900 2.371 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.255 2.676 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.830 3.714 10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.611 4.529 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.883 5.784 7.545 1.00 0.00 H new ATOM 976 N MET A 69 -4.649 1.556 10.941 1.00 0.00 N ATOM 977 CA MET A 69 -3.383 0.845 10.946 1.00 0.00 C ATOM 978 C MET A 69 -3.469 -0.451 11.762 1.00 0.00 C ATOM 979 O MET A 69 -3.266 -1.535 11.215 1.00 0.00 O ATOM 980 CB MET A 69 -2.277 1.778 11.425 1.00 0.00 C ATOM 981 CG MET A 69 -2.100 2.923 10.425 1.00 0.00 C ATOM 982 SD MET A 69 -0.559 3.850 10.605 1.00 0.00 S ATOM 983 CE MET A 69 -1.229 5.352 11.318 1.00 0.00 C ATOM 0 H MET A 69 -4.597 2.529 11.244 1.00 0.00 H new ATOM 0 HA MET A 69 -3.139 0.535 9.930 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.525 2.176 12.409 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.343 1.226 11.530 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.148 2.516 9.415 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.938 3.613 10.531 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.420 5.944 11.746 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.731 5.931 10.542 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.944 5.096 12.100 1.00 0.00 H new ATOM 993 N ASP A 70 -3.827 -0.341 13.044 1.00 0.00 N ATOM 994 CA ASP A 70 -3.962 -1.463 13.969 1.00 0.00 C ATOM 995 C ASP A 70 -4.901 -2.524 13.393 1.00 0.00 C ATOM 996 O ASP A 70 -4.618 -3.721 13.402 1.00 0.00 O ATOM 997 CB ASP A 70 -4.520 -0.944 15.300 1.00 0.00 C ATOM 998 CG ASP A 70 -4.610 -2.068 16.323 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.569 -2.343 16.955 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.719 -2.630 16.451 1.00 0.00 O ATOM 0 H ASP A 70 -4.036 0.558 13.477 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.984 -1.919 14.126 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.880 -0.149 15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.507 -0.511 15.141 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.014 -2.041 12.844 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.090 -2.829 12.273 1.00 0.00 C ATOM 1007 C ALA A 71 -6.627 -3.633 11.060 1.00 0.00 C ATOM 1008 O ALA A 71 -7.265 -4.625 10.713 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.236 -1.893 11.886 1.00 0.00 C ATOM 0 H ALA A 71 -6.193 -1.039 12.785 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.428 -3.547 13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.051 -2.475 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.593 -1.369 12.773 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.882 -1.167 11.154 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.543 -3.206 10.407 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.918 -3.949 9.333 1.00 0.00 C ATOM 1017 C GLY A 72 -4.861 -3.142 8.049 1.00 0.00 C ATOM 1018 O GLY A 72 -4.970 -3.749 6.993 1.00 0.00 O ATOM 0 H GLY A 72 -5.077 -2.324 10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.908 -4.235 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.472 -4.871 9.158 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.713 -1.813 8.087 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.724 -0.985 6.878 1.00 0.00 C ATOM 1024 C TYR A 73 -3.440 -0.177 6.676 1.00 0.00 C ATOM 1025 O TYR A 73 -2.645 -0.019 7.599 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.957 -0.094 6.886 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.238 -0.900 6.856 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.668 -1.468 5.645 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.086 -0.932 7.977 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.974 -1.969 5.532 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.400 -1.405 7.855 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.864 -1.871 6.618 1.00 0.00 C ATOM 1033 OH TYR A 73 -11.116 -2.401 6.537 1.00 0.00 O ATOM 0 H TYR A 73 -4.583 -1.285 8.950 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.768 -1.658 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.945 0.534 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.928 0.573 6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.994 -1.519 4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.724 -0.591 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.297 -2.430 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.054 -1.410 8.714 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.765 -1.684 6.377 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.226 0.332 5.457 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.049 1.103 5.100 1.00 0.00 C ATOM 1045 C VAL A 74 -2.375 1.970 3.891 1.00 0.00 C ATOM 1046 O VAL A 74 -3.093 1.544 2.987 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.858 0.172 4.822 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.094 -0.762 3.632 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.451 0.954 4.625 1.00 0.00 C ATOM 0 H VAL A 74 -3.882 0.213 4.685 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.764 1.750 5.930 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.763 -0.448 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.218 -1.394 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.965 -1.388 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.268 -0.170 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.266 0.256 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.345 1.633 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.671 1.528 5.525 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.827 3.182 3.870 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.954 4.109 2.765 1.00 0.00 C ATOM 1061 C LEU A 75 -1.598 3.450 1.432 1.00 0.00 C ATOM 1062 O LEU A 75 -2.331 3.584 0.462 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.064 5.318 3.062 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.274 6.468 2.078 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -2.747 6.870 1.907 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.506 7.676 2.597 1.00 0.00 C ATOM 0 H LEU A 75 -1.271 3.549 4.642 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.990 4.432 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.265 5.671 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.019 5.009 3.034 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.921 6.131 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.820 7.692 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.316 6.017 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.152 7.187 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.639 8.513 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.882 7.950 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.554 7.430 2.668 1.00 0.00 H new ATOM 1078 N THR A 76 -0.489 2.709 1.375 1.00 0.00 N ATOM 1079 CA THR A 76 -0.018 2.020 0.174 1.00 0.00 C ATOM 1080 C THR A 76 0.585 3.009 -0.832 1.00 0.00 C ATOM 1081 O THR A 76 1.745 2.859 -1.220 1.00 0.00 O ATOM 1082 CB THR A 76 -1.116 1.146 -0.475 1.00 0.00 C ATOM 1083 OG1 THR A 76 -1.879 0.470 0.506 1.00 0.00 O ATOM 1084 CG2 THR A 76 -0.483 0.084 -1.380 1.00 0.00 C ATOM 0 H THR A 76 0.119 2.569 2.182 1.00 0.00 H new ATOM 0 HA THR A 76 0.773 1.339 0.489 1.00 0.00 H new ATOM 0 HB THR A 76 -1.759 1.813 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.567 -0.456 0.583 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.267 -0.524 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.094 0.572 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.175 -0.552 -0.789 1.00 0.00 H new ATOM 1092 N CYS A 77 -0.187 4.020 -1.238 1.00 0.00 N ATOM 1093 CA CYS A 77 0.232 5.037 -2.195 1.00 0.00 C ATOM 1094 C CYS A 77 1.445 5.836 -1.706 1.00 0.00 C ATOM 1095 O CYS A 77 2.219 6.339 -2.517 1.00 0.00 O ATOM 1096 CB CYS A 77 -0.950 5.894 -2.571 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.771 6.858 -1.272 1.00 0.00 S ATOM 0 H CYS A 77 -1.140 4.154 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 77 0.582 4.546 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.622 6.590 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.699 5.245 -3.025 1.00 0.00 H new ATOM 1102 N HIS A 78 1.653 5.890 -0.387 1.00 0.00 N ATOM 1103 CA HIS A 78 2.824 6.466 0.260 1.00 0.00 C ATOM 1104 C HIS A 78 3.262 5.493 1.368 1.00 0.00 C ATOM 1105 O HIS A 78 2.883 5.649 2.527 1.00 0.00 O ATOM 1106 CB HIS A 78 2.462 7.878 0.777 1.00 0.00 C ATOM 1107 CG HIS A 78 3.161 9.050 0.127 1.00 0.00 C ATOM 1108 ND1 HIS A 78 3.417 10.252 0.747 1.00 0.00 N ATOM 1109 CD2 HIS A 78 3.522 9.185 -1.190 1.00 0.00 C ATOM 1110 CE1 HIS A 78 3.963 11.071 -0.165 1.00 0.00 C ATOM 1111 NE2 HIS A 78 4.021 10.480 -1.370 1.00 0.00 N ATOM 0 H HIS A 78 0.979 5.517 0.282 1.00 0.00 H new ATOM 0 HA HIS A 78 3.665 6.594 -0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.387 8.017 0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.671 7.910 1.846 1.00 0.00 H new ATOM 0 HD1 HIS A 78 3.226 10.479 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.436 8.426 -1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.310 12.073 0.042 1.00 0.00 H new ATOM 1119 N ALA A 79 4.021 4.449 1.008 1.00 0.00 N ATOM 1120 CA ALA A 79 4.556 3.467 1.950 1.00 0.00 C ATOM 1121 C ALA A 79 5.817 2.814 1.382 1.00 0.00 C ATOM 1122 O ALA A 79 5.865 2.558 0.181 1.00 0.00 O ATOM 1123 CB ALA A 79 3.495 2.402 2.249 1.00 0.00 C ATOM 0 H ALA A 79 4.282 4.264 0.040 1.00 0.00 H new ATOM 0 HA ALA A 79 4.820 3.976 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.899 1.673 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.616 2.877 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.215 1.898 1.324 1.00 0.00 H new ATOM 1129 N TYR A 80 6.804 2.535 2.239 1.00 0.00 N ATOM 1130 CA TYR A 80 8.049 1.835 1.934 1.00 0.00 C ATOM 1131 C TYR A 80 7.996 0.424 2.526 1.00 0.00 C ATOM 1132 O TYR A 80 7.653 0.274 3.702 1.00 0.00 O ATOM 1133 CB TYR A 80 9.212 2.576 2.594 1.00 0.00 C ATOM 1134 CG TYR A 80 9.471 3.955 2.031 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.953 4.115 0.717 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.213 5.088 2.820 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.049 5.401 0.152 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.418 6.367 2.288 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.736 6.529 0.935 1.00 0.00 C ATOM 1140 OH TYR A 80 9.676 7.779 0.393 1.00 0.00 O ATOM 0 H TYR A 80 6.749 2.809 3.220 1.00 0.00 H new ATOM 0 HA TYR A 80 8.182 1.790 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.012 2.664 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.116 1.977 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.249 3.250 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.858 4.973 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.361 5.522 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.330 7.234 2.926 1.00 0.00 H new ATOM 0 HH TYR A 80 8.776 7.939 0.039 1.00 0.00 H new ATOM 1150 N PRO A 81 8.333 -0.616 1.751 1.00 0.00 N ATOM 1151 CA PRO A 81 8.378 -1.979 2.242 1.00 0.00 C ATOM 1152 C PRO A 81 9.650 -2.249 3.047 1.00 0.00 C ATOM 1153 O PRO A 81 10.746 -2.117 2.518 1.00 0.00 O ATOM 1154 CB PRO A 81 8.272 -2.883 1.015 1.00 0.00 C ATOM 1155 CG PRO A 81 8.569 -1.982 -0.182 1.00 0.00 C ATOM 1156 CD PRO A 81 8.567 -0.545 0.322 1.00 0.00 C ATOM 0 HA PRO A 81 7.557 -2.172 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.983 -3.707 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.278 -3.324 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.534 -2.234 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.818 -2.117 -0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.517 -0.056 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.790 0.039 -0.171 1.00 0.00 H new ATOM 1164 N THR A 82 9.526 -2.651 4.316 1.00 0.00 N ATOM 1165 CA THR A 82 10.675 -2.890 5.182 1.00 0.00 C ATOM 1166 C THR A 82 11.061 -4.370 5.241 1.00 0.00 C ATOM 1167 O THR A 82 12.151 -4.699 5.709 1.00 0.00 O ATOM 1168 CB THR A 82 10.370 -2.315 6.567 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.081 -2.729 6.978 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.413 -0.786 6.493 1.00 0.00 C ATOM 0 H THR A 82 8.626 -2.818 4.767 1.00 0.00 H new ATOM 0 HA THR A 82 11.546 -2.383 4.767 1.00 0.00 H new ATOM 0 HB THR A 82 11.109 -2.672 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.887 -2.362 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.197 -0.368 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.404 -0.465 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.669 -0.435 5.778 1.00 0.00 H new ATOM 1178 N SER A 83 10.202 -5.266 4.752 1.00 0.00 N ATOM 1179 CA SER A 83 10.478 -6.681 4.550 1.00 0.00 C ATOM 1180 C SER A 83 9.499 -7.175 3.491 1.00 0.00 C ATOM 1181 O SER A 83 8.743 -6.374 2.939 1.00 0.00 O ATOM 1182 CB SER A 83 10.316 -7.453 5.871 1.00 0.00 C ATOM 1183 OG SER A 83 11.279 -7.053 6.829 1.00 0.00 O ATOM 0 H SER A 83 9.254 -5.009 4.475 1.00 0.00 H new ATOM 0 HA SER A 83 11.504 -6.841 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.315 -7.288 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.412 -8.522 5.682 1.00 0.00 H new ATOM 0 HG SER A 83 11.763 -6.267 6.498 1.00 0.00 H new ATOM 1189 N ASP A 84 9.503 -8.480 3.212 1.00 0.00 N ATOM 1190 CA ASP A 84 8.431 -9.131 2.484 1.00 0.00 C ATOM 1191 C ASP A 84 7.112 -8.849 3.201 1.00 0.00 C ATOM 1192 O ASP A 84 7.064 -8.778 4.431 1.00 0.00 O ATOM 1193 CB ASP A 84 8.716 -10.634 2.366 1.00 0.00 C ATOM 1194 CG ASP A 84 8.985 -11.273 3.724 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.964 -10.819 4.361 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.226 -12.194 4.087 1.00 0.00 O ATOM 0 H ASP A 84 10.256 -9.110 3.489 1.00 0.00 H new ATOM 0 HA ASP A 84 8.361 -8.739 1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.866 -11.128 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.576 -10.790 1.715 1.00 0.00 H new ATOM 1201 N VAL A 85 6.062 -8.601 2.420 1.00 0.00 N ATOM 1202 CA VAL A 85 4.804 -8.084 2.946 1.00 0.00 C ATOM 1203 C VAL A 85 3.651 -8.439 2.008 1.00 0.00 C ATOM 1204 O VAL A 85 3.810 -8.527 0.790 1.00 0.00 O ATOM 1205 CB VAL A 85 4.938 -6.574 3.268 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.494 -5.776 2.085 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.652 -5.895 3.778 1.00 0.00 C ATOM 0 H VAL A 85 6.061 -8.752 1.411 1.00 0.00 H new ATOM 0 HA VAL A 85 4.563 -8.564 3.895 1.00 0.00 H new ATOM 0 HB VAL A 85 5.648 -6.558 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.569 -4.724 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.482 -6.154 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.827 -5.881 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.850 -4.841 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.870 -5.983 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.325 -6.380 4.698 1.00 0.00 H new ATOM 1217 N VAL A 86 2.479 -8.681 2.596 1.00 0.00 N ATOM 1218 CA VAL A 86 1.260 -9.013 1.886 1.00 0.00 C ATOM 1219 C VAL A 86 0.234 -7.945 2.246 1.00 0.00 C ATOM 1220 O VAL A 86 0.018 -7.696 3.435 1.00 0.00 O ATOM 1221 CB VAL A 86 0.811 -10.423 2.302 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.441 -10.851 1.530 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.921 -11.450 2.030 1.00 0.00 C ATOM 0 H VAL A 86 2.356 -8.649 3.608 1.00 0.00 H new ATOM 0 HA VAL A 86 1.395 -9.027 0.804 1.00 0.00 H new ATOM 0 HB VAL A 86 0.590 -10.389 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.737 -11.852 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.252 -10.152 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.226 -10.854 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.582 -12.441 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.158 -11.456 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.812 -11.183 2.599 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.376 -7.307 1.241 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.337 -6.232 1.428 1.00 0.00 C ATOM 1235 C ILE A 87 -2.440 -6.352 0.363 1.00 0.00 C ATOM 1236 O ILE A 87 -2.171 -6.821 -0.740 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.569 -4.893 1.432 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.396 -3.622 1.595 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.397 -4.740 0.258 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.113 -3.248 0.312 1.00 0.00 C ATOM 0 H ILE A 87 -0.208 -7.533 0.261 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.854 -6.291 2.386 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.001 -4.985 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.126 -3.763 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.746 -2.802 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.902 -3.776 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.137 -5.540 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.157 -4.795 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.691 -2.337 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.381 -3.081 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.783 -4.057 0.021 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.680 -5.960 0.675 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.806 -5.967 -0.259 1.00 0.00 C ATOM 1254 C GLU A 88 -5.121 -4.555 -0.738 1.00 0.00 C ATOM 1255 O GLU A 88 -5.514 -3.725 0.071 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.072 -6.517 0.398 1.00 0.00 C ATOM 1257 CG GLU A 88 -5.953 -7.768 1.263 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.245 -8.044 2.033 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.210 -7.261 1.857 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.246 -9.021 2.807 1.00 0.00 O ATOM 0 H GLU A 88 -3.932 -5.622 1.604 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.512 -6.601 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.497 -5.725 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.793 -6.727 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.714 -8.625 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.128 -7.648 1.966 1.00 0.00 H new ATOM 1267 N THR A 89 -4.987 -4.262 -2.026 1.00 0.00 N ATOM 1268 CA THR A 89 -5.228 -2.913 -2.537 1.00 0.00 C ATOM 1269 C THR A 89 -6.740 -2.675 -2.682 1.00 0.00 C ATOM 1270 O THR A 89 -7.531 -3.590 -2.460 1.00 0.00 O ATOM 1271 CB THR A 89 -4.437 -2.708 -3.842 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.990 -3.466 -4.893 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.969 -3.094 -3.649 1.00 0.00 C ATOM 0 H THR A 89 -4.713 -4.939 -2.738 1.00 0.00 H new ATOM 0 HA THR A 89 -4.867 -2.161 -1.835 1.00 0.00 H new ATOM 0 HB THR A 89 -4.498 -1.651 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.805 -3.029 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.427 -2.942 -4.582 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.529 -2.473 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.904 -4.142 -3.358 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.147 -1.459 -3.067 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.543 -1.088 -3.313 1.00 0.00 C ATOM 1283 C HIS A 90 -9.353 -1.096 -2.012 1.00 0.00 C ATOM 1284 O HIS A 90 -10.405 -1.726 -1.939 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.204 -1.962 -4.406 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.495 -1.991 -5.738 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.166 -2.262 -5.936 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.052 -1.783 -6.972 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.915 -2.213 -7.250 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.038 -1.926 -7.926 1.00 0.00 N ATOM 0 H HIS A 90 -6.497 -0.688 -3.219 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.539 -0.068 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.279 -2.983 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.222 -1.605 -4.564 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.087 -1.550 -7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.948 -2.380 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.134 -1.831 -8.937 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.867 -0.391 -0.983 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.481 -0.363 0.341 1.00 0.00 C ATOM 1300 C LYS A 91 -9.803 1.061 0.757 1.00 0.00 C ATOM 1301 O LYS A 91 -9.584 1.436 1.903 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.567 -1.062 1.352 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.191 -2.451 0.841 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.397 -3.367 0.854 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.191 -4.641 0.039 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.937 -5.773 0.620 1.00 0.00 N ATOM 0 H LYS A 91 -8.026 0.182 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.426 -0.906 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.667 -0.468 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.071 -1.144 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.794 -2.377 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.401 -2.872 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.630 -3.636 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.259 -2.828 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.518 -4.476 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.129 -4.883 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.108 -6.489 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.382 -6.194 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.847 -5.434 0.992 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.361 1.837 -0.170 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.896 3.150 0.131 1.00 0.00 C ATOM 1322 C GLU A 92 -12.123 2.967 1.031 1.00 0.00 C ATOM 1323 O GLU A 92 -12.041 3.177 2.243 1.00 0.00 O ATOM 1324 CB GLU A 92 -11.159 3.878 -1.195 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.681 5.302 -0.994 1.00 0.00 C ATOM 1326 CD GLU A 92 -11.151 6.230 -2.080 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -9.966 6.611 -1.956 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -11.924 6.506 -3.021 1.00 0.00 O ATOM 0 H GLU A 92 -10.452 1.567 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.204 3.783 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.237 3.912 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.882 3.309 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.771 5.300 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.378 5.671 -0.014 1.00 0.00 H new ATOM 1335 N GLU A 93 -13.231 2.463 0.479 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.451 2.204 1.239 1.00 0.00 C ATOM 1337 C GLU A 93 -14.365 0.884 2.029 1.00 0.00 C ATOM 1338 O GLU A 93 -15.263 0.046 1.974 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.664 2.249 0.298 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.859 3.644 -0.325 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.204 4.243 0.068 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.274 4.789 1.189 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -18.142 4.125 -0.750 1.00 0.00 O ATOM 0 H GLU A 93 -13.304 2.224 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.573 2.988 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.535 1.512 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.562 1.970 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.055 4.305 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.794 3.572 -1.411 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.274 0.733 2.780 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.055 -0.236 3.841 1.00 0.00 C ATOM 1352 C GLU A 94 -12.469 0.424 5.098 1.00 0.00 C ATOM 1353 O GLU A 94 -12.628 -0.132 6.186 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.103 -1.344 3.369 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.798 -2.454 2.570 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.086 -3.805 2.687 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.566 -4.113 3.785 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.017 -4.526 1.666 1.00 0.00 O ATOM 0 H GLU A 94 -12.461 1.334 2.648 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.026 -0.663 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.320 -0.901 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.614 -1.785 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.825 -2.558 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.847 -2.164 1.520 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.722 1.530 4.968 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.060 2.173 6.084 1.00 0.00 C ATOM 1367 C ILE A 95 -11.917 3.261 6.725 1.00 0.00 C ATOM 1368 O ILE A 95 -11.926 3.378 7.951 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.668 2.656 5.650 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.711 3.656 4.497 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.835 1.441 5.252 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.409 4.421 4.383 1.00 0.00 C ATOM 0 H ILE A 95 -11.567 1.997 4.075 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.919 1.441 6.879 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.221 3.181 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.909 3.129 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.534 4.355 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.842 1.767 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.745 0.767 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.322 0.921 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.472 5.125 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.226 4.967 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.591 3.723 4.206 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.586 4.072 5.908 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.393 5.182 6.391 1.00 0.00 C ATOM 1386 C VAL A 96 -14.759 4.654 6.845 1.00 0.00 C ATOM 1387 O VAL A 96 -15.115 3.532 6.414 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.518 6.286 5.321 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.188 7.032 5.121 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.024 5.750 3.974 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.424 5.383 7.612 1.00 0.00 O ATOM 0 H VAL A 96 -12.582 3.975 4.893 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.902 5.642 7.249 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.262 6.986 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.314 7.802 4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.886 7.495 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.420 6.328 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.093 6.570 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.331 4.998 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.008 5.302 4.108 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -4.151 10.081 -2.442 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -3.688 7.555 -2.404 1.00 0.00 FE HETATM 1404 S1 FES A 97 -5.136 8.631 -1.187 1.00 0.00 S HETATM 1405 S2 FES A 97 -2.847 9.000 -3.796 1.00 0.00 S