USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 354 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 20 SER OG : rot 180:sc= 0.0912 USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= -3.25! C(o=-4.1!,f=-3.2!) USER MOD Set 2.1: A 18 TYR OH : rot 14:sc= 0.995 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.824 K(o=1.8,f=-3.5!) USER MOD Set 3.1: A 12 THR OG1 : rot -130:sc= -0.364 USER MOD Set 3.2: A 14 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.714) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.0332 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 11 MET CE :methyl 164:sc= -0.418 (180deg=-1.32) USER MOD Single : A 13 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.8!) USER MOD Single : A 17 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.1!) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 0.519 (180deg=-0.0952) USER MOD Single : A 21 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.7!) USER MOD Single : A 29 GLN : amide:sc= 0.55 K(o=0.55,f=-0.3) USER MOD Single : A 40 ASN : amide:sc= -7.32! C(o=-7.3!,f=-17!) USER MOD Single : A 43 TYR OH : rot -30:sc= -1.36 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.086 K(o=-0.086,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.695 -6.743 -1.188 1.00 0.00 N ATOM 2 CA SER A 1 5.307 -6.747 -1.737 1.00 0.00 C ATOM 3 C SER A 1 5.341 -6.315 -3.198 1.00 0.00 C ATOM 4 O SER A 1 4.783 -5.281 -3.563 1.00 0.00 O ATOM 5 CB SER A 1 4.440 -5.781 -0.929 1.00 0.00 C ATOM 6 OG SER A 1 4.494 -6.141 0.445 1.00 0.00 O ATOM 0 H1 SER A 1 6.665 -6.531 -0.170 1.00 0.00 H new ATOM 0 H2 SER A 1 7.129 -7.677 -1.334 1.00 0.00 H new ATOM 0 H3 SER A 1 7.259 -6.019 -1.676 1.00 0.00 H new ATOM 0 HA SER A 1 4.886 -7.750 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.792 -4.758 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.410 -5.813 -1.285 1.00 0.00 H new ATOM 0 HG SER A 1 3.941 -5.523 0.967 1.00 0.00 H new ATOM 12 N GLU A 2 6.006 -7.108 -4.028 1.00 0.00 N ATOM 13 CA GLU A 2 6.112 -6.788 -5.446 1.00 0.00 C ATOM 14 C GLU A 2 4.738 -6.440 -6.022 1.00 0.00 C ATOM 15 O GLU A 2 3.708 -6.751 -5.425 1.00 0.00 O ATOM 16 CB GLU A 2 6.724 -7.985 -6.198 1.00 0.00 C ATOM 17 CG GLU A 2 8.223 -7.771 -6.414 1.00 0.00 C ATOM 18 CD GLU A 2 8.886 -7.427 -5.086 1.00 0.00 C ATOM 19 OE1 GLU A 2 9.008 -6.248 -4.795 1.00 0.00 O ATOM 20 OE2 GLU A 2 9.252 -8.347 -4.375 1.00 0.00 O ATOM 0 H GLU A 2 6.476 -7.969 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 2 6.759 -5.920 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.559 -8.901 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.226 -8.111 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.672 -8.671 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.386 -6.968 -7.133 1.00 0.00 H new ATOM 27 N PRO A 3 4.709 -5.795 -7.165 1.00 0.00 N ATOM 28 CA PRO A 3 3.433 -5.389 -7.821 1.00 0.00 C ATOM 29 C PRO A 3 2.725 -6.548 -8.534 1.00 0.00 C ATOM 30 O PRO A 3 1.958 -7.285 -7.922 1.00 0.00 O ATOM 31 CB PRO A 3 3.894 -4.299 -8.803 1.00 0.00 C ATOM 32 CG PRO A 3 5.281 -4.691 -9.195 1.00 0.00 C ATOM 33 CD PRO A 3 5.890 -5.377 -7.965 1.00 0.00 C ATOM 0 HA PRO A 3 2.685 -5.045 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.238 -4.248 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.880 -3.315 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.269 -5.365 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.866 -3.818 -9.485 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.504 -6.232 -8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.531 -4.696 -7.405 1.00 0.00 H new ATOM 41 N ASP A 4 2.991 -6.698 -9.825 1.00 0.00 N ATOM 42 CA ASP A 4 2.390 -7.763 -10.645 1.00 0.00 C ATOM 43 C ASP A 4 3.344 -8.955 -10.682 1.00 0.00 C ATOM 44 O ASP A 4 3.236 -9.797 -11.572 1.00 0.00 O ATOM 45 CB ASP A 4 2.143 -7.210 -12.063 1.00 0.00 C ATOM 46 CG ASP A 4 3.183 -7.734 -13.062 1.00 0.00 C ATOM 47 OD1 ASP A 4 4.363 -7.587 -12.787 1.00 0.00 O ATOM 48 OD2 ASP A 4 2.781 -8.307 -14.060 1.00 0.00 O ATOM 0 H ASP A 4 3.627 -6.090 -10.341 1.00 0.00 H new ATOM 0 HA ASP A 4 1.440 -8.091 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.144 -7.492 -12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.176 -6.121 -12.040 1.00 0.00 H new ATOM 53 N GLU A 5 4.195 -9.085 -9.700 1.00 0.00 N ATOM 54 CA GLU A 5 5.075 -10.256 -9.628 1.00 0.00 C ATOM 55 C GLU A 5 4.509 -11.250 -8.604 1.00 0.00 C ATOM 56 O GLU A 5 4.344 -12.439 -8.901 1.00 0.00 O ATOM 57 CB GLU A 5 6.498 -9.826 -9.238 1.00 0.00 C ATOM 58 CG GLU A 5 7.521 -10.586 -10.083 1.00 0.00 C ATOM 59 CD GLU A 5 8.919 -10.085 -9.774 1.00 0.00 C ATOM 60 OE1 GLU A 5 9.861 -10.692 -10.249 1.00 0.00 O ATOM 61 OE2 GLU A 5 9.029 -9.098 -9.066 1.00 0.00 O ATOM 0 H GLU A 5 4.309 -8.413 -8.941 1.00 0.00 H new ATOM 0 HA GLU A 5 5.123 -10.738 -10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.616 -8.753 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.670 -10.023 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.454 -11.654 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.303 -10.451 -11.142 1.00 0.00 H new ATOM 68 N ILE A 6 4.229 -10.772 -7.406 1.00 0.00 N ATOM 69 CA ILE A 6 3.702 -11.641 -6.364 1.00 0.00 C ATOM 70 C ILE A 6 2.364 -12.228 -6.784 1.00 0.00 C ATOM 71 O ILE A 6 2.108 -13.399 -6.556 1.00 0.00 O ATOM 72 CB ILE A 6 3.547 -10.857 -5.042 1.00 0.00 C ATOM 73 CG1 ILE A 6 4.910 -10.798 -4.310 1.00 0.00 C ATOM 74 CG2 ILE A 6 2.493 -11.524 -4.136 1.00 0.00 C ATOM 75 CD1 ILE A 6 5.087 -12.024 -3.406 1.00 0.00 C ATOM 0 H ILE A 6 4.355 -9.798 -7.129 1.00 0.00 H new ATOM 0 HA ILE A 6 4.406 -12.459 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 6 3.214 -9.845 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.719 -10.756 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.970 -9.887 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.398 -10.957 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.532 -11.543 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.803 -12.544 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.050 -11.966 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.288 -12.048 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.049 -12.930 -4.010 1.00 0.00 H new ATOM 87 N CYS A 7 1.529 -11.390 -7.378 1.00 0.00 N ATOM 88 CA CYS A 7 0.205 -11.828 -7.804 1.00 0.00 C ATOM 89 C CYS A 7 0.297 -13.040 -8.725 1.00 0.00 C ATOM 90 O CYS A 7 -0.457 -13.996 -8.587 1.00 0.00 O ATOM 91 CB CYS A 7 -0.549 -10.683 -8.480 1.00 0.00 C ATOM 92 SG CYS A 7 -2.260 -10.693 -7.929 1.00 0.00 S ATOM 0 H CYS A 7 1.739 -10.412 -7.576 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.354 -12.128 -6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.081 -9.729 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.503 -10.791 -9.564 1.00 0.00 H new ATOM 97 N ARG A 8 1.233 -12.967 -9.655 1.00 0.00 N ATOM 98 CA ARG A 8 1.433 -14.031 -10.633 1.00 0.00 C ATOM 99 C ARG A 8 1.866 -15.303 -9.956 1.00 0.00 C ATOM 100 O ARG A 8 1.501 -16.400 -10.379 1.00 0.00 O ATOM 101 CB ARG A 8 2.460 -13.617 -11.685 1.00 0.00 C ATOM 102 CG ARG A 8 1.839 -12.604 -12.651 1.00 0.00 C ATOM 103 CD ARG A 8 2.922 -12.078 -13.592 1.00 0.00 C ATOM 104 NE ARG A 8 3.528 -13.181 -14.335 1.00 0.00 N ATOM 105 CZ ARG A 8 3.032 -13.595 -15.496 1.00 0.00 C ATOM 106 NH1 ARG A 8 3.599 -14.584 -16.132 1.00 0.00 N ATOM 107 NH2 ARG A 8 1.980 -13.016 -16.001 1.00 0.00 N ATOM 0 H ARG A 8 1.872 -12.178 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 8 0.481 -14.210 -11.132 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.334 -13.182 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.803 -14.493 -12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.039 -13.073 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.392 -11.780 -12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.491 -11.356 -14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.687 -11.553 -13.020 1.00 0.00 H new ATOM 0 HE ARG A 8 4.352 -13.645 -13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.422 -15.039 -15.738 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.219 -14.902 -17.023 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.536 -12.243 -15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.601 -13.335 -16.892 1.00 0.00 H new ATOM 121 N ALA A 9 2.677 -15.163 -8.928 1.00 0.00 N ATOM 122 CA ALA A 9 3.214 -16.305 -8.215 1.00 0.00 C ATOM 123 C ALA A 9 2.122 -17.125 -7.571 1.00 0.00 C ATOM 124 O ALA A 9 2.370 -18.237 -7.109 1.00 0.00 O ATOM 125 CB ALA A 9 4.159 -15.802 -7.138 1.00 0.00 C ATOM 0 H ALA A 9 2.982 -14.260 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 9 3.736 -16.943 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.572 -16.650 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.970 -15.238 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.615 -15.157 -6.449 1.00 0.00 H new ATOM 131 N ARG A 10 0.903 -16.581 -7.495 1.00 0.00 N ATOM 132 CA ARG A 10 -0.212 -17.256 -6.856 1.00 0.00 C ATOM 133 C ARG A 10 -1.152 -17.847 -7.891 1.00 0.00 C ATOM 134 O ARG A 10 -2.016 -18.653 -7.550 1.00 0.00 O ATOM 135 CB ARG A 10 -0.988 -16.251 -5.995 1.00 0.00 C ATOM 136 CG ARG A 10 -0.005 -15.315 -5.294 1.00 0.00 C ATOM 137 CD ARG A 10 -0.724 -14.527 -4.199 1.00 0.00 C ATOM 138 NE ARG A 10 -1.728 -13.643 -4.783 1.00 0.00 N ATOM 139 CZ ARG A 10 -2.537 -12.923 -4.013 1.00 0.00 C ATOM 140 NH1 ARG A 10 -3.430 -12.141 -4.557 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.440 -12.996 -2.714 1.00 0.00 N ATOM 0 H ARG A 10 0.670 -15.664 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 10 0.182 -18.062 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.674 -15.676 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.593 -16.779 -5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.813 -15.891 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.436 -14.629 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.199 -15.215 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.002 -13.942 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.810 -13.577 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.506 -12.083 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.051 -11.588 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.742 -13.606 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.062 -12.443 -2.124 1.00 0.00 H new ATOM 155 N MET A 11 -0.998 -17.434 -9.167 1.00 0.00 N ATOM 156 CA MET A 11 -1.861 -17.927 -10.247 1.00 0.00 C ATOM 157 C MET A 11 -1.031 -18.554 -11.360 1.00 0.00 C ATOM 158 O MET A 11 0.142 -18.215 -11.532 1.00 0.00 O ATOM 159 CB MET A 11 -2.724 -16.791 -10.782 1.00 0.00 C ATOM 160 CG MET A 11 -1.842 -15.596 -11.107 1.00 0.00 C ATOM 161 SD MET A 11 -2.839 -14.311 -11.894 1.00 0.00 S ATOM 162 CE MET A 11 -3.916 -13.957 -10.485 1.00 0.00 C ATOM 0 H MET A 11 -0.288 -16.766 -9.467 1.00 0.00 H new ATOM 0 HA MET A 11 -2.516 -18.701 -9.847 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.259 -17.115 -11.675 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.476 -16.512 -10.044 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.384 -15.210 -10.196 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.030 -15.898 -11.769 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.423 -13.006 -10.645 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.656 -14.751 -10.384 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.318 -13.901 -9.575 1.00 0.00 H new ATOM 172 N THR A 12 -1.655 -19.403 -12.144 1.00 0.00 N ATOM 173 CA THR A 12 -0.970 -20.001 -13.286 1.00 0.00 C ATOM 174 C THR A 12 -0.817 -18.963 -14.406 1.00 0.00 C ATOM 175 O THR A 12 -1.509 -17.943 -14.420 1.00 0.00 O ATOM 176 CB THR A 12 -1.762 -21.195 -13.802 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.080 -20.778 -14.138 1.00 0.00 O ATOM 178 CG2 THR A 12 -1.815 -22.266 -12.719 1.00 0.00 C ATOM 0 H THR A 12 -2.624 -19.698 -12.022 1.00 0.00 H new ATOM 0 HA THR A 12 0.017 -20.336 -12.968 1.00 0.00 H new ATOM 0 HB THR A 12 -1.280 -21.604 -14.690 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.730 -21.381 -13.721 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.381 -23.124 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.802 -22.580 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.300 -21.861 -11.831 1.00 0.00 H new ATOM 186 N HIS A 13 0.089 -19.238 -15.345 1.00 0.00 N ATOM 187 CA HIS A 13 0.319 -18.332 -16.469 1.00 0.00 C ATOM 188 C HIS A 13 -0.916 -18.268 -17.355 1.00 0.00 C ATOM 189 O HIS A 13 -1.290 -17.187 -17.817 1.00 0.00 O ATOM 190 CB HIS A 13 1.521 -18.801 -17.290 1.00 0.00 C ATOM 191 CG HIS A 13 2.779 -18.605 -16.495 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.321 -17.350 -16.271 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.614 -19.494 -15.867 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.435 -17.517 -15.535 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.660 -18.805 -15.262 1.00 0.00 N ATOM 0 H HIS A 13 0.672 -20.075 -15.350 1.00 0.00 H new ATOM 0 HA HIS A 13 0.525 -17.337 -16.075 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.406 -19.852 -17.555 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.578 -18.241 -18.224 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.480 -20.565 -15.846 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.070 -16.708 -15.205 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.433 -19.199 -14.725 1.00 0.00 H new ATOM 203 N LYS A 14 -1.549 -19.405 -17.606 1.00 0.00 N ATOM 204 CA LYS A 14 -2.733 -19.433 -18.458 1.00 0.00 C ATOM 205 C LYS A 14 -3.826 -18.552 -17.864 1.00 0.00 C ATOM 206 O LYS A 14 -4.508 -17.828 -18.591 1.00 0.00 O ATOM 207 CB LYS A 14 -3.227 -20.876 -18.583 1.00 0.00 C ATOM 208 CG LYS A 14 -3.671 -21.377 -17.203 1.00 0.00 C ATOM 209 CD LYS A 14 -3.954 -22.877 -17.263 1.00 0.00 C ATOM 210 CE LYS A 14 -4.354 -23.375 -15.871 1.00 0.00 C ATOM 211 NZ LYS A 14 -5.545 -22.616 -15.395 1.00 0.00 N ATOM 0 H LYS A 14 -1.267 -20.313 -17.237 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.480 -19.050 -19.447 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.057 -20.929 -19.287 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.434 -21.512 -18.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.895 -21.173 -16.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.565 -20.842 -16.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.752 -23.079 -17.977 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.071 -23.411 -17.613 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.579 -24.441 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.525 -23.246 -15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.028 -23.159 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.241 -21.698 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.198 -22.460 -16.190 1.00 0.00 H new ATOM 225 N GLU A 15 -4.002 -18.629 -16.556 1.00 0.00 N ATOM 226 CA GLU A 15 -5.041 -17.846 -15.895 1.00 0.00 C ATOM 227 C GLU A 15 -4.705 -16.362 -15.936 1.00 0.00 C ATOM 228 O GLU A 15 -5.559 -15.532 -16.247 1.00 0.00 O ATOM 229 CB GLU A 15 -5.175 -18.301 -14.442 1.00 0.00 C ATOM 230 CG GLU A 15 -6.366 -17.598 -13.796 1.00 0.00 C ATOM 231 CD GLU A 15 -6.535 -18.070 -12.357 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.891 -19.041 -11.993 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.314 -17.462 -11.641 1.00 0.00 O ATOM 0 H GLU A 15 -3.448 -19.217 -15.934 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.983 -18.003 -16.420 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.310 -19.382 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.262 -18.072 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.217 -16.519 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.273 -17.806 -14.364 1.00 0.00 H new ATOM 240 N PHE A 16 -3.461 -16.048 -15.622 1.00 0.00 N ATOM 241 CA PHE A 16 -3.020 -14.663 -15.628 1.00 0.00 C ATOM 242 C PHE A 16 -3.187 -14.033 -17.005 1.00 0.00 C ATOM 243 O PHE A 16 -3.715 -12.924 -17.117 1.00 0.00 O ATOM 244 CB PHE A 16 -1.541 -14.569 -15.235 1.00 0.00 C ATOM 245 CG PHE A 16 -1.063 -13.139 -15.403 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.113 -12.245 -14.328 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.567 -12.712 -16.642 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.664 -10.930 -14.488 1.00 0.00 C ATOM 249 CE2 PHE A 16 -0.118 -11.395 -16.802 1.00 0.00 C ATOM 250 CZ PHE A 16 -0.166 -10.505 -15.724 1.00 0.00 C ATOM 0 H PHE A 16 -2.744 -16.725 -15.362 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.638 -14.128 -14.907 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.407 -14.889 -14.202 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.945 -15.238 -15.856 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.499 -12.571 -13.373 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.531 -13.399 -17.474 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.702 -10.242 -13.656 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.265 -11.067 -17.757 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.181 -9.490 -15.846 1.00 0.00 H new ATOM 260 N ASN A 17 -2.792 -14.744 -18.056 1.00 0.00 N ATOM 261 CA ASN A 17 -2.955 -14.248 -19.409 1.00 0.00 C ATOM 262 C ASN A 17 -4.429 -14.059 -19.735 1.00 0.00 C ATOM 263 O ASN A 17 -4.798 -13.074 -20.378 1.00 0.00 O ATOM 264 CB ASN A 17 -2.305 -15.215 -20.407 1.00 0.00 C ATOM 265 CG ASN A 17 -2.852 -14.984 -21.815 1.00 0.00 C ATOM 266 OD1 ASN A 17 -3.197 -13.858 -22.173 1.00 0.00 O ATOM 267 ND2 ASN A 17 -2.973 -15.995 -22.627 1.00 0.00 N ATOM 0 H ASN A 17 -2.357 -15.665 -17.992 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.461 -13.280 -19.487 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.224 -15.077 -20.404 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.496 -16.244 -20.101 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.355 -15.855 -23.563 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.686 -16.927 -22.327 1.00 0.00 H new ATOM 274 N TYR A 18 -5.275 -15.008 -19.339 1.00 0.00 N ATOM 275 CA TYR A 18 -6.691 -14.949 -19.640 1.00 0.00 C ATOM 276 C TYR A 18 -7.332 -13.716 -19.046 1.00 0.00 C ATOM 277 O TYR A 18 -7.999 -12.935 -19.726 1.00 0.00 O ATOM 278 CB TYR A 18 -7.375 -16.219 -19.121 1.00 0.00 C ATOM 279 CG TYR A 18 -8.870 -16.096 -19.300 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.630 -15.433 -18.334 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.492 -16.634 -20.433 1.00 0.00 C ATOM 282 CE1 TYR A 18 -11.013 -15.307 -18.493 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.878 -16.509 -20.594 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.638 -15.846 -19.624 1.00 0.00 C ATOM 285 OH TYR A 18 -13.003 -15.720 -19.782 1.00 0.00 O ATOM 0 H TYR A 18 -4.994 -15.831 -18.805 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.814 -14.888 -20.721 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.004 -17.091 -19.660 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.135 -16.370 -18.068 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.148 -15.017 -17.462 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -8.904 -17.145 -21.182 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.599 -14.794 -17.744 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.360 -16.924 -21.467 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.345 -15.053 -19.151 1.00 0.00 H new ATOM 295 N LYS A 19 -7.128 -13.563 -17.746 1.00 0.00 N ATOM 296 CA LYS A 19 -7.689 -12.453 -17.007 1.00 0.00 C ATOM 297 C LYS A 19 -7.132 -11.134 -17.511 1.00 0.00 C ATOM 298 O LYS A 19 -7.842 -10.139 -17.620 1.00 0.00 O ATOM 299 CB LYS A 19 -7.386 -12.599 -15.512 1.00 0.00 C ATOM 300 CG LYS A 19 -7.914 -13.941 -14.983 1.00 0.00 C ATOM 301 CD LYS A 19 -9.430 -13.869 -14.772 1.00 0.00 C ATOM 302 CE LYS A 19 -9.920 -15.177 -14.152 1.00 0.00 C ATOM 303 NZ LYS A 19 -9.753 -16.286 -15.133 1.00 0.00 N ATOM 0 H LYS A 19 -6.571 -14.204 -17.180 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.769 -12.460 -17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.311 -12.534 -15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.845 -11.778 -14.960 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.675 -14.737 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.420 -14.189 -14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.678 -13.030 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.933 -13.694 -15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.358 -15.394 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.968 -15.086 -13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.421 -17.051 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.942 -15.932 -16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.780 -16.650 -15.083 1.00 0.00 H new ATOM 317 N SER A 20 -5.838 -11.136 -17.809 1.00 0.00 N ATOM 318 CA SER A 20 -5.190 -9.933 -18.290 1.00 0.00 C ATOM 319 C SER A 20 -5.838 -9.401 -19.567 1.00 0.00 C ATOM 320 O SER A 20 -6.086 -8.208 -19.727 1.00 0.00 O ATOM 321 CB SER A 20 -3.699 -10.171 -18.515 1.00 0.00 C ATOM 322 OG SER A 20 -3.094 -8.960 -18.959 1.00 0.00 O ATOM 0 H SER A 20 -5.227 -11.949 -17.726 1.00 0.00 H new ATOM 0 HA SER A 20 -5.315 -9.175 -17.517 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.229 -10.509 -17.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.552 -10.958 -19.255 1.00 0.00 H new ATOM 0 HG SER A 20 -2.136 -9.107 -19.104 1.00 0.00 H new ATOM 328 N ASN A 21 -6.143 -10.357 -20.450 1.00 0.00 N ATOM 329 CA ASN A 21 -6.815 -10.055 -21.710 1.00 0.00 C ATOM 330 C ASN A 21 -8.201 -9.480 -21.440 1.00 0.00 C ATOM 331 O ASN A 21 -8.657 -8.586 -22.157 1.00 0.00 O ATOM 332 CB ASN A 21 -6.947 -11.316 -22.570 1.00 0.00 C ATOM 333 CG ASN A 21 -7.627 -10.970 -23.892 1.00 0.00 C ATOM 334 OD1 ASN A 21 -8.076 -9.838 -24.082 1.00 0.00 O ATOM 335 ND2 ASN A 21 -7.730 -11.878 -24.823 1.00 0.00 N ATOM 0 H ASN A 21 -5.934 -11.346 -20.312 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.214 -9.322 -22.248 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.962 -11.744 -22.758 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.527 -12.071 -22.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.182 -11.651 -25.709 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.358 -12.815 -24.665 1.00 0.00 H new ATOM 342 N VAL A 22 -8.873 -9.980 -20.402 1.00 0.00 N ATOM 343 CA VAL A 22 -10.205 -9.499 -20.042 1.00 0.00 C ATOM 344 C VAL A 22 -10.144 -8.037 -19.614 1.00 0.00 C ATOM 345 O VAL A 22 -10.952 -7.217 -20.053 1.00 0.00 O ATOM 346 CB VAL A 22 -10.775 -10.348 -18.907 1.00 0.00 C ATOM 347 CG1 VAL A 22 -12.099 -9.747 -18.433 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.013 -11.776 -19.412 1.00 0.00 C ATOM 0 H VAL A 22 -8.515 -10.718 -19.796 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.854 -9.582 -20.914 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.069 -10.367 -18.077 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.505 -10.354 -17.623 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.930 -8.731 -18.076 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.807 -9.727 -19.262 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.420 -12.384 -18.604 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.719 -11.755 -20.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.069 -12.205 -19.749 1.00 0.00 H new ATOM 358 N CYS A 23 -9.179 -7.720 -18.752 1.00 0.00 N ATOM 359 CA CYS A 23 -9.016 -6.356 -18.268 1.00 0.00 C ATOM 360 C CYS A 23 -8.559 -5.458 -19.408 1.00 0.00 C ATOM 361 O CYS A 23 -9.043 -4.326 -19.517 1.00 0.00 O ATOM 362 CB CYS A 23 -7.966 -6.293 -17.151 1.00 0.00 C ATOM 363 SG CYS A 23 -8.636 -6.947 -15.600 1.00 0.00 S ATOM 0 H CYS A 23 -8.504 -8.387 -18.378 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.977 -6.020 -17.879 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.085 -6.865 -17.441 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.643 -5.262 -17.007 1.00 0.00 H new ATOM 368 N ASN A 24 -7.655 -5.906 -20.252 1.00 0.00 N ATOM 369 CA ASN A 24 -7.174 -5.090 -21.346 1.00 0.00 C ATOM 370 C ASN A 24 -8.306 -4.765 -22.302 1.00 0.00 C ATOM 371 O ASN A 24 -8.275 -3.726 -22.966 1.00 0.00 O ATOM 372 CB ASN A 24 -6.055 -5.817 -22.082 1.00 0.00 C ATOM 373 CG ASN A 24 -4.980 -6.243 -21.093 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.744 -5.509 -20.040 1.00 0.00 O flip ATOM 375 ND2 ASN A 24 -4.341 -7.276 -21.282 1.00 0.00 N flip ATOM 0 H ASN A 24 -7.237 -6.835 -20.201 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.785 -4.155 -20.942 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.454 -6.690 -22.598 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.625 -5.166 -22.843 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.528 -7.848 -22.106 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.624 -7.562 -20.615 1.00 0.00 H new ATOM 382 N GLY A 25 -9.313 -5.642 -22.392 1.00 0.00 N ATOM 383 CA GLY A 25 -10.433 -5.398 -23.288 1.00 0.00 C ATOM 384 C GLY A 25 -11.484 -4.535 -22.621 1.00 0.00 C ATOM 385 O GLY A 25 -12.553 -4.308 -23.186 1.00 0.00 O ATOM 0 H GLY A 25 -9.370 -6.512 -21.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.078 -4.909 -24.195 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.875 -6.347 -23.590 1.00 0.00 H new ATOM 389 N CYS A 26 -11.221 -4.111 -21.381 1.00 0.00 N ATOM 390 CA CYS A 26 -12.198 -3.360 -20.611 1.00 0.00 C ATOM 391 C CYS A 26 -12.290 -1.932 -21.050 1.00 0.00 C ATOM 392 O CYS A 26 -13.388 -1.369 -21.052 1.00 0.00 O ATOM 393 CB CYS A 26 -11.889 -3.414 -19.117 1.00 0.00 C ATOM 394 SG CYS A 26 -13.251 -2.589 -18.243 1.00 0.00 S ATOM 0 H CYS A 26 -10.339 -4.278 -20.896 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.161 -3.836 -20.795 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.790 -4.447 -18.784 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.942 -2.919 -18.904 1.00 0.00 H new ATOM 399 N GLY A 27 -11.208 -1.339 -21.523 1.00 0.00 N ATOM 400 CA GLY A 27 -11.233 0.015 -22.029 1.00 0.00 C ATOM 401 C GLY A 27 -10.178 0.879 -21.338 1.00 0.00 C ATOM 402 O GLY A 27 -8.989 0.567 -21.382 1.00 0.00 O ATOM 0 H GLY A 27 -10.291 -1.784 -21.566 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.055 0.008 -23.104 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.221 0.447 -21.872 1.00 0.00 H new ATOM 406 N ASP A 28 -10.617 1.963 -20.689 1.00 0.00 N ATOM 407 CA ASP A 28 -9.696 2.863 -19.979 1.00 0.00 C ATOM 408 C ASP A 28 -9.658 2.483 -18.494 1.00 0.00 C ATOM 409 O ASP A 28 -9.102 3.221 -17.680 1.00 0.00 O ATOM 410 CB ASP A 28 -10.167 4.300 -20.155 1.00 0.00 C ATOM 411 CG ASP A 28 -11.617 4.431 -19.690 1.00 0.00 C ATOM 412 OD1 ASP A 28 -12.202 3.417 -19.345 1.00 0.00 O ATOM 413 OD2 ASP A 28 -12.120 5.542 -19.691 1.00 0.00 O ATOM 0 H ASP A 28 -11.598 2.239 -20.639 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.690 2.770 -20.388 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.530 4.974 -19.582 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.083 4.594 -21.201 1.00 0.00 H new ATOM 418 N GLN A 29 -10.220 1.341 -18.151 1.00 0.00 N ATOM 419 CA GLN A 29 -10.207 0.886 -16.758 1.00 0.00 C ATOM 420 C GLN A 29 -9.131 -0.169 -16.572 1.00 0.00 C ATOM 421 O GLN A 29 -9.087 -0.851 -15.546 1.00 0.00 O ATOM 422 CB GLN A 29 -11.564 0.316 -16.365 1.00 0.00 C ATOM 423 CG GLN A 29 -12.661 1.329 -16.694 1.00 0.00 C ATOM 424 CD GLN A 29 -12.401 2.642 -15.962 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.136 2.642 -14.761 1.00 0.00 O ATOM 426 NE2 GLN A 29 -12.460 3.770 -16.619 1.00 0.00 N ATOM 0 H GLN A 29 -10.688 0.711 -18.802 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.992 1.740 -16.116 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.746 -0.618 -16.898 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.577 0.083 -15.300 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.694 1.504 -17.769 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.633 0.930 -16.406 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.680 3.769 -17.615 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.286 4.651 -16.136 1.00 0.00 H new ATOM 435 N VAL A 30 -8.289 -0.328 -17.585 1.00 0.00 N ATOM 436 CA VAL A 30 -7.240 -1.340 -17.536 1.00 0.00 C ATOM 437 C VAL A 30 -6.551 -1.364 -16.190 1.00 0.00 C ATOM 438 O VAL A 30 -6.409 -2.424 -15.579 1.00 0.00 O ATOM 439 CB VAL A 30 -6.183 -1.072 -18.611 1.00 0.00 C ATOM 440 CG1 VAL A 30 -5.314 -2.316 -18.816 1.00 0.00 C ATOM 441 CG2 VAL A 30 -6.864 -0.695 -19.919 1.00 0.00 C ATOM 0 H VAL A 30 -8.310 0.224 -18.442 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.721 -2.302 -17.710 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.548 -0.248 -18.287 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.566 -2.115 -19.582 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.816 -2.570 -17.880 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.941 -3.150 -19.131 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.108 -0.505 -20.681 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.508 -1.512 -20.243 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.464 0.203 -19.771 1.00 0.00 H new ATOM 451 N ALA A 31 -6.092 -0.199 -15.727 1.00 0.00 N ATOM 452 CA ALA A 31 -5.385 -0.128 -14.475 1.00 0.00 C ATOM 453 C ALA A 31 -6.253 -0.471 -13.294 1.00 0.00 C ATOM 454 O ALA A 31 -5.824 -1.161 -12.369 1.00 0.00 O ATOM 455 CB ALA A 31 -4.694 1.227 -14.297 1.00 0.00 C ATOM 0 H ALA A 31 -6.203 0.694 -16.206 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.609 -0.893 -14.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.170 1.245 -13.341 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.979 1.380 -15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.440 2.021 -14.317 1.00 0.00 H new ATOM 461 N ALA A 32 -7.500 0.003 -13.321 1.00 0.00 N ATOM 462 CA ALA A 32 -8.437 -0.269 -12.251 1.00 0.00 C ATOM 463 C ALA A 32 -8.744 -1.769 -12.212 1.00 0.00 C ATOM 464 O ALA A 32 -8.824 -2.383 -11.149 1.00 0.00 O ATOM 465 CB ALA A 32 -9.740 0.496 -12.514 1.00 0.00 C ATOM 0 H ALA A 32 -7.876 0.576 -14.076 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.004 0.045 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.449 0.294 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.532 1.565 -12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.166 0.173 -13.464 1.00 0.00 H new ATOM 471 N CYS A 33 -8.905 -2.322 -13.409 1.00 0.00 N ATOM 472 CA CYS A 33 -9.205 -3.740 -13.545 1.00 0.00 C ATOM 473 C CYS A 33 -8.047 -4.599 -13.085 1.00 0.00 C ATOM 474 O CYS A 33 -8.222 -5.685 -12.534 1.00 0.00 O ATOM 475 CB CYS A 33 -9.561 -4.083 -14.989 1.00 0.00 C ATOM 476 SG CYS A 33 -10.203 -5.776 -15.110 1.00 0.00 S ATOM 0 H CYS A 33 -8.833 -1.814 -14.291 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.063 -3.951 -12.907 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.306 -3.379 -15.362 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.679 -3.978 -15.621 1.00 0.00 H new ATOM 481 N GLU A 34 -6.832 -4.087 -13.317 1.00 0.00 N ATOM 482 CA GLU A 34 -5.621 -4.787 -12.943 1.00 0.00 C ATOM 483 C GLU A 34 -5.308 -4.574 -11.486 1.00 0.00 C ATOM 484 O GLU A 34 -4.462 -5.279 -10.930 1.00 0.00 O ATOM 485 CB GLU A 34 -4.440 -4.298 -13.792 1.00 0.00 C ATOM 486 CG GLU A 34 -4.478 -4.947 -15.174 1.00 0.00 C ATOM 487 CD GLU A 34 -3.422 -4.330 -16.071 1.00 0.00 C ATOM 488 OE1 GLU A 34 -2.681 -3.490 -15.595 1.00 0.00 O ATOM 489 OE2 GLU A 34 -3.369 -4.715 -17.227 1.00 0.00 O ATOM 0 H GLU A 34 -6.673 -3.185 -13.765 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.780 -5.851 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.478 -3.213 -13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.501 -4.540 -13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.308 -6.020 -15.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.465 -4.816 -15.618 1.00 0.00 H new ATOM 496 N ALA A 35 -5.908 -3.574 -10.853 1.00 0.00 N ATOM 497 CA ALA A 35 -5.619 -3.219 -9.487 1.00 0.00 C ATOM 498 C ALA A 35 -5.585 -4.404 -8.554 1.00 0.00 C ATOM 499 O ALA A 35 -4.564 -4.685 -7.926 1.00 0.00 O ATOM 500 CB ALA A 35 -6.725 -2.299 -8.966 1.00 0.00 C ATOM 0 H ALA A 35 -6.617 -2.984 -11.288 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.636 -2.749 -9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.514 -2.025 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.767 -1.398 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.683 -2.817 -9.016 1.00 0.00 H new ATOM 506 N GLU A 36 -6.708 -5.100 -8.456 1.00 0.00 N ATOM 507 CA GLU A 36 -6.798 -6.232 -7.552 1.00 0.00 C ATOM 508 C GLU A 36 -6.626 -7.568 -8.246 1.00 0.00 C ATOM 509 O GLU A 36 -7.361 -8.513 -7.985 1.00 0.00 O ATOM 510 CB GLU A 36 -8.128 -6.194 -6.807 1.00 0.00 C ATOM 511 CG GLU A 36 -8.197 -4.932 -5.938 1.00 0.00 C ATOM 512 CD GLU A 36 -9.516 -4.896 -5.177 1.00 0.00 C ATOM 513 OE1 GLU A 36 -9.770 -3.899 -4.522 1.00 0.00 O ATOM 514 OE2 GLU A 36 -10.249 -5.866 -5.252 1.00 0.00 O ATOM 0 H GLU A 36 -7.558 -4.903 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.970 -6.141 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.954 -6.204 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.233 -7.082 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.363 -4.917 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.104 -4.044 -6.563 1.00 0.00 H new ATOM 521 N CYS A 37 -5.673 -7.638 -9.174 1.00 0.00 N ATOM 522 CA CYS A 37 -5.462 -8.865 -9.927 1.00 0.00 C ATOM 523 C CYS A 37 -6.772 -9.306 -10.567 1.00 0.00 C ATOM 524 O CYS A 37 -7.096 -10.494 -10.602 1.00 0.00 O ATOM 525 CB CYS A 37 -4.895 -9.975 -9.028 1.00 0.00 C ATOM 526 SG CYS A 37 -3.304 -10.540 -9.637 1.00 0.00 S ATOM 0 H CYS A 37 -5.046 -6.871 -9.417 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.731 -8.671 -10.712 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.788 -9.604 -8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.593 -10.811 -8.991 1.00 0.00 H new ATOM 531 N PHE A 38 -7.514 -8.370 -11.119 1.00 0.00 N ATOM 532 CA PHE A 38 -8.759 -8.692 -11.788 1.00 0.00 C ATOM 533 C PHE A 38 -9.817 -9.088 -10.791 1.00 0.00 C ATOM 534 O PHE A 38 -10.884 -9.567 -11.174 1.00 0.00 O ATOM 535 CB PHE A 38 -8.550 -9.783 -12.869 1.00 0.00 C ATOM 536 CG PHE A 38 -7.083 -9.859 -13.238 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.417 -8.725 -13.695 1.00 0.00 C ATOM 538 CD2 PHE A 38 -6.378 -11.068 -13.105 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.062 -8.796 -14.020 1.00 0.00 C ATOM 540 CE2 PHE A 38 -5.023 -11.132 -13.433 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.369 -9.995 -13.891 1.00 0.00 C ATOM 0 H PHE A 38 -7.277 -7.378 -11.118 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.110 -7.796 -12.300 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.892 -10.749 -12.496 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.146 -9.553 -13.752 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.949 -7.791 -13.798 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.887 -11.951 -12.748 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.548 -7.915 -14.374 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.484 -12.063 -13.331 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.321 -10.042 -14.147 1.00 0.00 H new ATOM 551 N ARG A 39 -9.539 -8.883 -9.502 1.00 0.00 N ATOM 552 CA ARG A 39 -10.485 -9.195 -8.441 1.00 0.00 C ATOM 553 C ARG A 39 -11.186 -7.900 -8.013 1.00 0.00 C ATOM 554 O ARG A 39 -10.884 -7.327 -6.971 1.00 0.00 O ATOM 555 CB ARG A 39 -9.757 -9.823 -7.249 1.00 0.00 C ATOM 556 CG ARG A 39 -10.778 -10.442 -6.309 1.00 0.00 C ATOM 557 CD ARG A 39 -10.051 -11.092 -5.132 1.00 0.00 C ATOM 558 NE ARG A 39 -10.994 -11.847 -4.319 1.00 0.00 N ATOM 559 CZ ARG A 39 -10.599 -12.491 -3.228 1.00 0.00 C ATOM 560 NH1 ARG A 39 -11.463 -13.162 -2.518 1.00 0.00 N ATOM 561 NH2 ARG A 39 -9.345 -12.452 -2.866 1.00 0.00 N ATOM 0 H ARG A 39 -8.655 -8.498 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.223 -9.911 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.056 -10.583 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.174 -9.066 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.468 -9.679 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.374 -11.185 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.265 -11.752 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.567 -10.327 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.976 -11.882 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.442 -13.192 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.159 -13.657 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.670 -11.927 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.041 -12.947 -2.028 1.00 0.00 H new ATOM 575 N ASN A 40 -12.137 -7.477 -8.836 1.00 0.00 N ATOM 576 CA ASN A 40 -12.896 -6.251 -8.543 1.00 0.00 C ATOM 577 C ASN A 40 -14.193 -6.237 -9.331 1.00 0.00 C ATOM 578 O ASN A 40 -14.423 -7.081 -10.198 1.00 0.00 O ATOM 579 CB ASN A 40 -12.039 -5.029 -8.875 1.00 0.00 C ATOM 580 CG ASN A 40 -11.855 -4.908 -10.372 1.00 0.00 C ATOM 581 OD1 ASN A 40 -12.192 -5.824 -11.117 1.00 0.00 O ATOM 582 ND2 ASN A 40 -11.327 -3.826 -10.863 1.00 0.00 N ATOM 0 H ASN A 40 -12.404 -7.950 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 40 -13.147 -6.223 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.513 -4.128 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.068 -5.114 -8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.192 -3.736 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.048 -3.067 -10.241 1.00 0.00 H new ATOM 589 N ASP A 41 -15.065 -5.277 -8.994 1.00 0.00 N ATOM 590 CA ASP A 41 -16.358 -5.194 -9.650 1.00 0.00 C ATOM 591 C ASP A 41 -16.175 -4.776 -11.095 1.00 0.00 C ATOM 592 O ASP A 41 -16.949 -5.201 -11.951 1.00 0.00 O ATOM 593 CB ASP A 41 -17.262 -4.198 -8.916 1.00 0.00 C ATOM 594 CG ASP A 41 -17.319 -4.532 -7.431 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.270 -5.707 -7.107 1.00 0.00 O ATOM 596 OD2 ASP A 41 -17.399 -3.608 -6.640 1.00 0.00 O ATOM 0 H ASP A 41 -14.895 -4.564 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.833 -6.175 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.885 -3.184 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -18.265 -4.226 -9.341 1.00 0.00 H new ATOM 601 N VAL A 42 -15.155 -3.981 -11.408 1.00 0.00 N ATOM 602 CA VAL A 42 -14.901 -3.582 -12.771 1.00 0.00 C ATOM 603 C VAL A 42 -14.579 -4.804 -13.620 1.00 0.00 C ATOM 604 O VAL A 42 -15.076 -4.946 -14.735 1.00 0.00 O ATOM 605 CB VAL A 42 -13.757 -2.571 -12.825 1.00 0.00 C ATOM 606 CG1 VAL A 42 -13.262 -2.409 -14.256 1.00 0.00 C ATOM 607 CG2 VAL A 42 -14.224 -1.216 -12.297 1.00 0.00 C ATOM 0 H VAL A 42 -14.495 -3.605 -10.727 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.796 -3.106 -13.172 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.943 -2.941 -12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.447 -1.686 -14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.906 -3.369 -14.629 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.079 -2.056 -14.886 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.399 -0.505 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.050 -0.852 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.556 -1.323 -11.264 1.00 0.00 H new ATOM 617 N TYR A 43 -13.755 -5.704 -13.077 1.00 0.00 N ATOM 618 CA TYR A 43 -13.396 -6.925 -13.772 1.00 0.00 C ATOM 619 C TYR A 43 -14.669 -7.667 -14.120 1.00 0.00 C ATOM 620 O TYR A 43 -14.856 -8.087 -15.260 1.00 0.00 O ATOM 621 CB TYR A 43 -12.513 -7.803 -12.866 1.00 0.00 C ATOM 622 CG TYR A 43 -12.385 -9.190 -13.456 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.575 -9.406 -14.573 1.00 0.00 C ATOM 624 CD2 TYR A 43 -13.088 -10.261 -12.884 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.469 -10.688 -15.120 1.00 0.00 C ATOM 626 CE2 TYR A 43 -12.979 -11.542 -13.430 1.00 0.00 C ATOM 627 CZ TYR A 43 -12.170 -11.755 -14.549 1.00 0.00 C ATOM 628 OH TYR A 43 -12.066 -13.018 -15.092 1.00 0.00 O ATOM 0 H TYR A 43 -13.328 -5.602 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.839 -6.689 -14.679 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -11.526 -7.352 -12.758 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.947 -7.862 -11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.031 -8.584 -15.014 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -13.714 -10.095 -12.020 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.845 -10.855 -15.985 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.519 -12.366 -12.988 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.904 -12.947 -16.056 1.00 0.00 H new ATOM 638 N THR A 44 -15.546 -7.829 -13.138 1.00 0.00 N ATOM 639 CA THR A 44 -16.795 -8.524 -13.381 1.00 0.00 C ATOM 640 C THR A 44 -17.593 -7.856 -14.489 1.00 0.00 C ATOM 641 O THR A 44 -18.012 -8.495 -15.437 1.00 0.00 O ATOM 642 CB THR A 44 -17.631 -8.614 -12.104 1.00 0.00 C ATOM 643 OG1 THR A 44 -16.959 -9.450 -11.172 1.00 0.00 O ATOM 644 CG2 THR A 44 -19.012 -9.203 -12.420 1.00 0.00 C ATOM 0 H THR A 44 -15.416 -7.494 -12.183 1.00 0.00 H new ATOM 0 HA THR A 44 -16.548 -9.535 -13.703 1.00 0.00 H new ATOM 0 HB THR A 44 -17.762 -7.617 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.487 -9.512 -10.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.600 -9.263 -11.504 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.524 -8.564 -13.139 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.894 -10.201 -12.842 1.00 0.00 H new ATOM 652 N ALA A 45 -17.767 -6.534 -14.372 1.00 0.00 N ATOM 653 CA ALA A 45 -18.484 -5.704 -15.345 1.00 0.00 C ATOM 654 C ALA A 45 -17.859 -5.869 -16.726 1.00 0.00 C ATOM 655 O ALA A 45 -18.557 -6.055 -17.715 1.00 0.00 O ATOM 656 CB ALA A 45 -18.313 -4.239 -14.882 1.00 0.00 C ATOM 0 H ALA A 45 -17.405 -6.001 -13.581 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.535 -5.988 -15.405 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.830 -3.576 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.735 -4.121 -13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.253 -3.986 -14.860 1.00 0.00 H new ATOM 662 N CYS A 46 -16.517 -5.807 -16.767 1.00 0.00 N ATOM 663 CA CYS A 46 -15.809 -5.951 -18.041 1.00 0.00 C ATOM 664 C CYS A 46 -15.941 -7.374 -18.572 1.00 0.00 C ATOM 665 O CYS A 46 -16.164 -7.601 -19.764 1.00 0.00 O ATOM 666 CB CYS A 46 -14.326 -5.541 -17.897 1.00 0.00 C ATOM 667 SG CYS A 46 -14.244 -3.923 -17.079 1.00 0.00 S ATOM 0 H CYS A 46 -15.918 -5.662 -15.954 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.269 -5.279 -18.766 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.783 -6.286 -17.315 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.851 -5.493 -18.877 1.00 0.00 H new ATOM 672 N HIS A 47 -15.782 -8.338 -17.667 1.00 0.00 N ATOM 673 CA HIS A 47 -15.851 -9.742 -18.046 1.00 0.00 C ATOM 674 C HIS A 47 -17.254 -10.103 -18.496 1.00 0.00 C ATOM 675 O HIS A 47 -17.430 -10.802 -19.494 1.00 0.00 O ATOM 676 CB HIS A 47 -15.437 -10.625 -16.867 1.00 0.00 C ATOM 677 CG HIS A 47 -15.324 -12.053 -17.320 1.00 0.00 C ATOM 678 ND1 HIS A 47 -15.940 -13.093 -16.642 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.672 -12.628 -18.381 1.00 0.00 C ATOM 680 CE1 HIS A 47 -15.647 -14.231 -17.298 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.877 -14.004 -18.365 1.00 0.00 N ATOM 0 H HIS A 47 -15.606 -8.172 -16.676 1.00 0.00 H new ATOM 0 HA HIS A 47 -15.165 -9.911 -18.876 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -14.484 -10.285 -16.463 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -16.170 -10.545 -16.065 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -16.511 -13.011 -15.800 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.089 -12.094 -19.117 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -15.993 -15.209 -16.998 1.00 0.00 H new ATOM 689 N GLU A 48 -18.249 -9.627 -17.764 1.00 0.00 N ATOM 690 CA GLU A 48 -19.635 -9.900 -18.090 1.00 0.00 C ATOM 691 C GLU A 48 -20.040 -9.192 -19.372 1.00 0.00 C ATOM 692 O GLU A 48 -20.963 -9.620 -20.065 1.00 0.00 O ATOM 693 CB GLU A 48 -20.541 -9.468 -16.942 1.00 0.00 C ATOM 694 CG GLU A 48 -20.166 -10.242 -15.663 1.00 0.00 C ATOM 695 CD GLU A 48 -20.819 -11.622 -15.650 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.790 -11.814 -16.361 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.330 -12.473 -14.923 1.00 0.00 O ATOM 0 H GLU A 48 -18.118 -9.046 -16.936 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.744 -10.974 -18.243 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -20.442 -8.396 -16.772 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.584 -9.655 -17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.083 -10.347 -15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.482 -9.677 -14.786 1.00 0.00 H new ATOM 704 N ALA A 49 -19.362 -8.079 -19.667 1.00 0.00 N ATOM 705 CA ALA A 49 -19.672 -7.287 -20.843 1.00 0.00 C ATOM 706 C ALA A 49 -19.106 -7.938 -22.087 1.00 0.00 C ATOM 707 O ALA A 49 -19.592 -7.704 -23.194 1.00 0.00 O ATOM 708 CB ALA A 49 -19.085 -5.879 -20.687 1.00 0.00 C ATOM 0 H ALA A 49 -18.596 -7.712 -19.102 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.755 -7.223 -20.944 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.320 -5.287 -21.572 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.514 -5.401 -19.806 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.003 -5.947 -20.572 1.00 0.00 H new ATOM 714 N GLN A 50 -18.079 -8.772 -21.905 1.00 0.00 N ATOM 715 CA GLN A 50 -17.465 -9.464 -23.041 1.00 0.00 C ATOM 716 C GLN A 50 -18.132 -10.825 -23.243 1.00 0.00 C ATOM 717 O GLN A 50 -18.374 -11.564 -22.289 1.00 0.00 O ATOM 718 CB GLN A 50 -15.968 -9.624 -22.803 1.00 0.00 C ATOM 719 CG GLN A 50 -15.302 -8.254 -22.834 1.00 0.00 C ATOM 720 CD GLN A 50 -13.811 -8.403 -22.552 1.00 0.00 C ATOM 721 OE1 GLN A 50 -13.312 -9.521 -22.420 1.00 0.00 O ATOM 722 NE2 GLN A 50 -13.067 -7.337 -22.448 1.00 0.00 N ATOM 0 H GLN A 50 -17.661 -8.982 -20.999 1.00 0.00 H new ATOM 0 HA GLN A 50 -17.608 -8.873 -23.945 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.791 -10.105 -21.841 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.534 -10.269 -23.567 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.453 -7.787 -23.807 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -15.759 -7.600 -22.092 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.483 -6.412 -22.558 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.069 -7.428 -22.257 1.00 0.00 H new ATOM 731 N LYS A 51 -18.394 -11.159 -24.508 1.00 0.00 N ATOM 732 CA LYS A 51 -19.001 -12.440 -24.844 1.00 0.00 C ATOM 733 C LYS A 51 -18.126 -13.586 -24.344 1.00 0.00 C ATOM 734 O LYS A 51 -17.067 -13.791 -24.917 1.00 0.00 O ATOM 735 CB LYS A 51 -19.174 -12.558 -26.363 1.00 0.00 C ATOM 736 CG LYS A 51 -19.906 -13.861 -26.696 1.00 0.00 C ATOM 737 CD LYS A 51 -20.143 -13.944 -28.205 1.00 0.00 C ATOM 738 CE LYS A 51 -20.890 -15.237 -28.534 1.00 0.00 C ATOM 739 NZ LYS A 51 -21.139 -15.309 -30.001 1.00 0.00 N ATOM 0 H LYS A 51 -18.195 -10.561 -25.310 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.977 -12.497 -24.363 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.737 -11.705 -26.743 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.200 -12.540 -26.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.318 -14.716 -26.362 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.857 -13.902 -26.165 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.720 -13.083 -28.541 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.191 -13.916 -28.735 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.306 -16.099 -28.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.835 -15.271 -27.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.647 -16.189 -30.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.713 -14.493 -30.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.231 -15.295 -30.508 1.00 0.00 H new TER 753 LYS A 51