USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 422 hydrogens (7 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 NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 TYR C :(H bumps) USER MOD Set 1.1: A 40 HIS : no HD1:sc= -2.7! C(o=-4!,f=-16!) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -1.28 F(o=-6.5!,f=-4) USER MOD Set 2.1: A 1 ALA N :NH3+ -177:sc= -0.0732 (180deg=-0.131) USER MOD Set 2.2: A 4 THR OG1 : rot 178:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.189 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 10 HYP OD1 : rot 180:sc= -0.236 USER MOD Single : A 14 ASN : amide:sc= -2.21 X(o=-2.2,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -2.45! C(o=-2.5!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.303 (180deg=-1.47!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.49 F(o=-4.3!,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0111) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.024 (180deg=-0.294) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= -0.77 (180deg=-3.71!) USER MOD Single : A 46 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.77) USER MOD Single : A 47 ASN : amide:sc= -0.777 K(o=-0.78,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.183 -0.155 -10.320 1.00 0.00 N ATOM 2 CA ALA A 1 -4.951 -0.066 -11.161 1.00 0.00 C ATOM 3 C ALA A 1 -3.974 0.942 -10.549 1.00 0.00 C ATOM 4 O ALA A 1 -2.781 0.719 -10.483 1.00 0.00 O ATOM 5 CB ALA A 1 -5.317 0.388 -12.588 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.820 -0.878 -10.712 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.922 -0.415 -9.348 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.666 0.766 -10.314 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.484 -1.050 -11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.413 0.450 -13.193 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.004 -0.332 -13.034 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.794 1.367 -12.547 1.00 0.00 H new ATOM 13 N SER A 2 -4.513 2.049 -10.128 1.00 0.00 N ATOM 14 CA SER A 2 -3.675 3.123 -9.504 1.00 0.00 C ATOM 15 C SER A 2 -4.439 3.851 -8.392 1.00 0.00 C ATOM 16 O SER A 2 -4.058 3.811 -7.238 1.00 0.00 O ATOM 17 CB SER A 2 -3.245 4.110 -10.617 1.00 0.00 C ATOM 18 OG SER A 2 -2.563 3.296 -11.567 1.00 0.00 O ATOM 0 H SER A 2 -5.508 2.264 -10.187 1.00 0.00 H new ATOM 0 HA SER A 2 -2.795 2.677 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.107 4.605 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.595 4.893 -10.225 1.00 0.00 H new ATOM 0 HG SER A 2 -2.256 3.852 -12.314 1.00 0.00 H new ATOM 24 N ALA A 3 -5.517 4.495 -8.758 1.00 0.00 N ATOM 25 CA ALA A 3 -6.321 5.238 -7.737 1.00 0.00 C ATOM 26 C ALA A 3 -7.303 4.256 -7.092 1.00 0.00 C ATOM 27 O ALA A 3 -8.507 4.358 -7.225 1.00 0.00 O ATOM 28 CB ALA A 3 -7.071 6.385 -8.445 1.00 0.00 C ATOM 0 H ALA A 3 -5.875 4.540 -9.712 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.684 5.663 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.663 6.938 -7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.351 7.057 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.730 5.972 -9.209 1.00 0.00 H new ATOM 34 N THR A 4 -6.730 3.325 -6.388 1.00 0.00 N ATOM 35 CA THR A 4 -7.540 2.277 -5.692 1.00 0.00 C ATOM 36 C THR A 4 -7.599 2.491 -4.163 1.00 0.00 C ATOM 37 O THR A 4 -7.020 1.751 -3.390 1.00 0.00 O ATOM 38 CB THR A 4 -6.907 0.894 -6.046 1.00 0.00 C ATOM 39 OG1 THR A 4 -6.155 1.091 -7.245 1.00 0.00 O ATOM 40 CG2 THR A 4 -7.986 -0.101 -6.477 1.00 0.00 C ATOM 0 H THR A 4 -5.722 3.240 -6.260 1.00 0.00 H new ATOM 0 HA THR A 4 -8.575 2.330 -6.031 1.00 0.00 H new ATOM 0 HB THR A 4 -6.344 0.535 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.708 0.255 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.523 -1.058 -6.719 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.700 -0.238 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.505 0.283 -7.355 1.00 0.00 H new ATOM 48 N TRP A 5 -8.313 3.513 -3.771 1.00 0.00 N ATOM 49 CA TRP A 5 -8.460 3.845 -2.314 1.00 0.00 C ATOM 50 C TRP A 5 -9.947 3.997 -1.944 1.00 0.00 C ATOM 51 O TRP A 5 -10.809 3.855 -2.788 1.00 0.00 O ATOM 52 CB TRP A 5 -7.712 5.158 -2.029 1.00 0.00 C ATOM 53 CG TRP A 5 -6.204 4.909 -1.894 1.00 0.00 C ATOM 54 CD1 TRP A 5 -5.211 5.428 -2.687 1.00 0.00 C ATOM 55 CD2 TRP A 5 -5.552 4.134 -0.957 1.00 0.00 C ATOM 56 NE1 TRP A 5 -4.031 5.031 -2.303 1.00 0.00 N ATOM 57 CE2 TRP A 5 -4.197 4.253 -1.267 1.00 0.00 C ATOM 58 CE3 TRP A 5 -5.938 3.341 0.121 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.235 3.587 -0.511 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -4.978 2.672 0.881 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.627 2.795 0.566 1.00 0.00 C ATOM 0 H TRP A 5 -8.808 4.142 -4.403 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.039 3.038 -1.713 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.897 5.869 -2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.094 5.608 -1.113 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.386 6.085 -3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.141 5.282 -2.733 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -6.984 3.244 0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.188 3.684 -0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.283 2.058 1.715 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.885 2.277 1.155 1.00 0.00 H new ATOM 72 N GLY A 6 -10.205 4.284 -0.690 1.00 0.00 N ATOM 73 CA GLY A 6 -11.621 4.461 -0.209 1.00 0.00 C ATOM 74 C GLY A 6 -12.036 3.462 0.856 1.00 0.00 C ATOM 75 O GLY A 6 -12.840 3.785 1.703 1.00 0.00 O ATOM 0 H GLY A 6 -9.492 4.405 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.737 5.470 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.297 4.373 -1.059 1.00 0.00 H new ATOM 79 N ALA A 7 -11.476 2.287 0.789 1.00 0.00 N ATOM 80 CA ALA A 7 -11.821 1.234 1.800 1.00 0.00 C ATOM 81 C ALA A 7 -10.862 1.337 2.991 1.00 0.00 C ATOM 82 O ALA A 7 -10.895 0.532 3.897 1.00 0.00 O ATOM 83 CB ALA A 7 -11.701 -0.155 1.142 1.00 0.00 C ATOM 0 H ALA A 7 -10.796 2.005 0.083 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.842 1.378 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.950 -0.926 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.388 -0.218 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.680 -0.304 0.791 1.00 0.00 H new ATOM 89 N ALA A 8 -10.020 2.338 2.953 1.00 0.00 N ATOM 90 CA ALA A 8 -9.039 2.549 4.059 1.00 0.00 C ATOM 91 C ALA A 8 -9.564 3.657 4.987 1.00 0.00 C ATOM 92 O ALA A 8 -9.513 3.524 6.193 1.00 0.00 O ATOM 93 CB ALA A 8 -7.680 2.954 3.457 1.00 0.00 C ATOM 0 H ALA A 8 -9.970 3.022 2.198 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.912 1.632 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.959 3.110 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.324 2.163 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.795 3.877 2.888 1.00 0.00 H new ATOM 99 N TYR A 9 -10.056 4.725 4.409 1.00 0.00 N ATOM 100 CA TYR A 9 -10.589 5.851 5.244 1.00 0.00 C ATOM 101 C TYR A 9 -12.125 5.950 5.401 1.00 0.00 C ATOM 102 O TYR A 9 -12.571 6.948 5.932 1.00 0.00 O ATOM 103 CB TYR A 9 -10.064 7.193 4.658 1.00 0.00 C ATOM 104 CG TYR A 9 -10.239 7.288 3.141 1.00 0.00 C ATOM 105 CD1 TYR A 9 -11.482 7.492 2.575 1.00 0.00 C ATOM 106 CD2 TYR A 9 -9.137 7.175 2.320 1.00 0.00 C ATOM 107 CE1 TYR A 9 -11.607 7.579 1.206 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.263 7.263 0.954 1.00 0.00 C ATOM 109 CZ TYR A 9 -10.502 7.465 0.386 1.00 0.00 C ATOM 110 OH TYR A 9 -10.650 7.540 -0.984 1.00 0.00 O ATOM 0 H TYR A 9 -10.112 4.868 3.401 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.226 5.638 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.590 8.021 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.008 7.303 4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.355 7.583 3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.162 7.015 2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.581 7.738 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.390 7.174 0.325 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.775 7.442 -1.413 1.00 0.00 H new HETATM 120 N HYP A 10 -12.915 4.987 4.983 1.00 0.00 N HETATM 121 CA HYP A 10 -14.309 5.225 4.472 1.00 0.00 C HETATM 122 C HYP A 10 -15.071 6.108 5.443 1.00 0.00 C HETATM 123 O HYP A 10 -15.747 7.060 5.088 1.00 0.00 O HETATM 124 CB HYP A 10 -14.981 3.845 4.303 1.00 0.00 C HETATM 125 CG HYP A 10 -14.026 2.905 5.051 1.00 0.00 C HETATM 126 CD HYP A 10 -12.635 3.529 4.948 1.00 0.00 C HETATM 127 OD1 HYP A 10 -13.986 1.743 4.241 1.00 0.00 O HETATM 0 HD23 HYP A 10 -12.130 3.238 4.027 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -11.994 3.222 5.774 1.00 0.00 H new HETATM 0 HG HYP A 10 -14.316 2.721 6.085 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -13.390 1.081 4.648 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -15.983 3.828 4.732 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -15.079 3.569 3.253 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.298 5.743 3.513 1.00 0.00 H new ATOM 135 N ALA A 11 -14.904 5.713 6.667 1.00 0.00 N ATOM 136 CA ALA A 11 -15.526 6.402 7.826 1.00 0.00 C ATOM 137 C ALA A 11 -15.448 7.928 7.628 1.00 0.00 C ATOM 138 O ALA A 11 -16.440 8.621 7.692 1.00 0.00 O ATOM 139 CB ALA A 11 -14.759 5.962 9.045 1.00 0.00 C ATOM 0 H ALA A 11 -14.337 4.905 6.923 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.581 6.150 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.177 6.441 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.832 4.880 9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.712 6.246 8.938 1.00 0.00 H new ATOM 145 N CYS A 12 -14.236 8.360 7.398 1.00 0.00 N ATOM 146 CA CYS A 12 -13.853 9.794 7.163 1.00 0.00 C ATOM 147 C CYS A 12 -14.891 10.586 6.371 1.00 0.00 C ATOM 148 O CYS A 12 -15.051 11.773 6.568 1.00 0.00 O ATOM 149 CB CYS A 12 -12.547 9.835 6.393 1.00 0.00 C ATOM 150 SG CYS A 12 -11.921 11.435 5.816 1.00 0.00 S ATOM 0 H CYS A 12 -13.435 7.729 7.361 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.770 10.256 8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.778 9.388 7.024 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.658 9.191 5.521 1.00 0.00 H new ATOM 155 N GLU A 13 -15.534 9.857 5.499 1.00 0.00 N ATOM 156 CA GLU A 13 -16.588 10.426 4.611 1.00 0.00 C ATOM 157 C GLU A 13 -17.981 9.958 5.063 1.00 0.00 C ATOM 158 O GLU A 13 -18.937 10.710 5.124 1.00 0.00 O ATOM 159 CB GLU A 13 -16.258 9.949 3.187 1.00 0.00 C ATOM 160 CG GLU A 13 -16.830 10.904 2.140 1.00 0.00 C ATOM 161 CD GLU A 13 -18.339 10.660 1.997 1.00 0.00 C ATOM 162 OE1 GLU A 13 -18.654 9.650 1.387 1.00 0.00 O ATOM 163 OE2 GLU A 13 -19.094 11.476 2.493 1.00 0.00 O ATOM 0 H GLU A 13 -15.366 8.860 5.362 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.605 11.515 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.177 9.877 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.664 8.949 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.644 11.937 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.333 10.751 1.182 1.00 0.00 H new ATOM 170 N ASN A 14 -18.066 8.695 5.373 1.00 0.00 N ATOM 171 CA ASN A 14 -19.377 8.117 5.833 1.00 0.00 C ATOM 172 C ASN A 14 -19.951 8.949 6.987 1.00 0.00 C ATOM 173 O ASN A 14 -21.146 9.145 7.112 1.00 0.00 O ATOM 174 CB ASN A 14 -19.158 6.671 6.300 1.00 0.00 C ATOM 175 CG ASN A 14 -18.474 5.837 5.214 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.052 4.725 5.446 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.328 6.310 4.010 1.00 0.00 N ATOM 0 H ASN A 14 -17.291 8.033 5.331 1.00 0.00 H new ATOM 0 HA ASN A 14 -20.084 8.134 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.549 6.666 7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.116 6.220 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.869 5.748 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.673 7.243 3.783 1.00 0.00 H new ATOM 184 N ASN A 15 -19.057 9.421 7.804 1.00 0.00 N ATOM 185 CA ASN A 15 -19.411 10.262 8.993 1.00 0.00 C ATOM 186 C ASN A 15 -20.284 11.428 8.536 1.00 0.00 C ATOM 187 O ASN A 15 -21.229 11.770 9.216 1.00 0.00 O ATOM 188 CB ASN A 15 -18.113 10.821 9.668 1.00 0.00 C ATOM 189 CG ASN A 15 -17.204 11.462 8.610 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.476 11.368 7.436 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.123 12.117 8.921 1.00 0.00 N ATOM 0 H ASN A 15 -18.056 9.256 7.698 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.950 9.650 9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.377 11.558 10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.582 10.016 10.176 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.545 12.525 8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.854 12.222 9.899 1.00 0.00 H new ATOM 198 N CYS A 16 -19.967 11.988 7.401 1.00 0.00 N ATOM 199 CA CYS A 16 -20.740 13.131 6.871 1.00 0.00 C ATOM 200 C CYS A 16 -21.985 12.634 6.166 1.00 0.00 C ATOM 201 O CYS A 16 -22.909 13.397 5.967 1.00 0.00 O ATOM 202 CB CYS A 16 -19.868 13.899 5.906 1.00 0.00 C ATOM 203 SG CYS A 16 -18.295 14.564 6.512 1.00 0.00 S ATOM 0 H CYS A 16 -19.189 11.691 6.812 1.00 0.00 H new ATOM 0 HA CYS A 16 -21.046 13.782 7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.649 13.244 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.454 14.732 5.519 1.00 0.00 H new ATOM 208 N ARG A 17 -21.998 11.376 5.803 1.00 0.00 N ATOM 209 CA ARG A 17 -23.228 10.874 5.106 1.00 0.00 C ATOM 210 C ARG A 17 -24.276 10.857 6.215 1.00 0.00 C ATOM 211 O ARG A 17 -25.360 11.398 6.073 1.00 0.00 O ATOM 212 CB ARG A 17 -22.983 9.448 4.530 1.00 0.00 C ATOM 213 CG ARG A 17 -24.337 8.697 4.391 1.00 0.00 C ATOM 214 CD ARG A 17 -24.273 7.628 3.290 1.00 0.00 C ATOM 215 NE ARG A 17 -24.491 8.310 1.979 1.00 0.00 N ATOM 216 CZ ARG A 17 -25.577 8.093 1.292 1.00 0.00 C ATOM 217 NH1 ARG A 17 -26.729 8.289 1.863 1.00 0.00 N ATOM 218 NH2 ARG A 17 -25.476 7.690 0.060 1.00 0.00 N ATOM 0 H ARG A 17 -21.249 10.699 5.948 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.528 11.487 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.494 9.517 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.313 8.891 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.594 8.228 5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.129 9.410 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.307 7.124 3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -25.033 6.864 3.454 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.784 8.951 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.771 8.607 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.591 8.125 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.556 7.548 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.317 7.516 -0.490 1.00 0.00 H new ATOM 232 N LYS A 18 -23.894 10.235 7.301 1.00 0.00 N ATOM 233 CA LYS A 18 -24.830 10.163 8.455 1.00 0.00 C ATOM 234 C LYS A 18 -25.095 11.634 8.815 1.00 0.00 C ATOM 235 O LYS A 18 -26.226 12.076 8.808 1.00 0.00 O ATOM 236 CB LYS A 18 -24.144 9.410 9.618 1.00 0.00 C ATOM 237 CG LYS A 18 -24.080 7.885 9.316 1.00 0.00 C ATOM 238 CD LYS A 18 -25.084 7.093 10.207 1.00 0.00 C ATOM 239 CE LYS A 18 -24.631 5.615 10.322 1.00 0.00 C ATOM 240 NZ LYS A 18 -25.748 4.748 10.808 1.00 0.00 N ATOM 0 H LYS A 18 -22.990 9.782 7.435 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.756 9.630 8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.137 9.800 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.693 9.581 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.306 7.710 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.068 7.519 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.139 7.544 11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.084 7.144 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -24.287 5.260 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -23.786 5.542 11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -25.419 3.764 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.059 5.075 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -26.544 4.801 10.141 1.00 0.00 H new ATOM 254 N LYS A 19 -24.036 12.349 9.112 1.00 0.00 N ATOM 255 CA LYS A 19 -24.169 13.803 9.476 1.00 0.00 C ATOM 256 C LYS A 19 -25.212 14.534 8.615 1.00 0.00 C ATOM 257 O LYS A 19 -26.151 15.113 9.124 1.00 0.00 O ATOM 258 CB LYS A 19 -22.796 14.498 9.314 1.00 0.00 C ATOM 259 CG LYS A 19 -22.515 15.463 10.475 1.00 0.00 C ATOM 260 CD LYS A 19 -23.514 16.660 10.491 1.00 0.00 C ATOM 261 CE LYS A 19 -24.589 16.484 11.589 1.00 0.00 C ATOM 262 NZ LYS A 19 -23.955 16.220 12.906 1.00 0.00 N ATOM 0 H LYS A 19 -23.081 11.991 9.119 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.508 13.851 10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.009 13.745 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.772 15.044 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.580 14.923 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.496 15.842 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.969 17.589 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.997 16.746 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.205 17.381 11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.252 15.660 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.527 16.653 13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.895 15.194 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.999 16.629 12.919 1.00 0.00 H new ATOM 276 N TYR A 20 -25.034 14.488 7.326 1.00 0.00 N ATOM 277 CA TYR A 20 -25.970 15.154 6.369 1.00 0.00 C ATOM 278 C TYR A 20 -27.413 14.779 6.707 1.00 0.00 C ATOM 279 O TYR A 20 -28.320 15.588 6.722 1.00 0.00 O ATOM 280 CB TYR A 20 -25.568 14.687 4.943 1.00 0.00 C ATOM 281 CG TYR A 20 -26.753 14.524 3.977 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.563 15.594 3.693 1.00 0.00 C ATOM 283 CD2 TYR A 20 -27.013 13.316 3.362 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.607 15.479 2.814 1.00 0.00 C ATOM 285 CE2 TYR A 20 -28.066 13.195 2.476 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.868 14.279 2.198 1.00 0.00 C ATOM 287 OH TYR A 20 -29.911 14.168 1.307 1.00 0.00 O ATOM 0 H TYR A 20 -24.256 14.003 6.879 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.905 16.240 6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.866 15.406 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.042 13.735 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.374 16.544 4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.389 12.460 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.229 16.337 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.261 12.246 1.999 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.952 13.251 0.964 1.00 0.00 H new ATOM 297 N ASP A 21 -27.559 13.521 6.989 1.00 0.00 N ATOM 298 CA ASP A 21 -28.892 12.966 7.334 1.00 0.00 C ATOM 299 C ASP A 21 -29.234 13.220 8.798 1.00 0.00 C ATOM 300 O ASP A 21 -30.377 13.104 9.195 1.00 0.00 O ATOM 301 CB ASP A 21 -28.840 11.481 7.013 1.00 0.00 C ATOM 302 CG ASP A 21 -29.396 11.263 5.594 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.585 11.490 5.431 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.601 10.881 4.748 1.00 0.00 O ATOM 0 H ASP A 21 -26.799 12.841 6.995 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.680 13.452 6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.815 11.116 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.425 10.917 7.739 1.00 0.00 H new ATOM 309 N LEU A 22 -28.245 13.564 9.573 1.00 0.00 N ATOM 310 CA LEU A 22 -28.466 13.850 11.028 1.00 0.00 C ATOM 311 C LEU A 22 -28.408 15.376 11.238 1.00 0.00 C ATOM 312 O LEU A 22 -28.473 15.858 12.351 1.00 0.00 O ATOM 313 CB LEU A 22 -27.359 13.162 11.854 1.00 0.00 C ATOM 314 CG LEU A 22 -27.418 11.616 11.697 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.157 11.001 12.343 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.670 11.065 12.413 1.00 0.00 C ATOM 0 H LEU A 22 -27.279 13.662 9.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.436 13.470 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.383 13.526 11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.468 13.428 12.905 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.465 11.359 10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.187 9.916 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.268 11.389 11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.125 11.263 13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.707 9.981 12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.624 11.318 13.472 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.564 11.506 11.973 1.00 0.00 H new ATOM 328 N CYS A 23 -28.289 16.087 10.143 1.00 0.00 N ATOM 329 CA CYS A 23 -28.214 17.584 10.138 1.00 0.00 C ATOM 330 C CYS A 23 -29.502 18.221 9.586 1.00 0.00 C ATOM 331 O CYS A 23 -29.804 19.367 9.865 1.00 0.00 O ATOM 332 CB CYS A 23 -26.986 17.977 9.281 1.00 0.00 C ATOM 333 SG CYS A 23 -26.900 19.600 8.479 1.00 0.00 S ATOM 0 H CYS A 23 -28.239 15.672 9.212 1.00 0.00 H new ATOM 0 HA CYS A 23 -28.109 17.955 11.157 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -26.107 17.888 9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.888 17.226 8.497 1.00 0.00 H new ATOM 338 N ILE A 24 -30.244 17.466 8.819 1.00 0.00 N ATOM 339 CA ILE A 24 -31.507 18.028 8.251 1.00 0.00 C ATOM 340 C ILE A 24 -32.607 18.142 9.320 1.00 0.00 C ATOM 341 O ILE A 24 -33.585 17.423 9.395 1.00 0.00 O ATOM 342 CB ILE A 24 -31.929 17.109 7.048 1.00 0.00 C ATOM 343 CG1 ILE A 24 -31.200 17.672 5.829 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.415 17.242 6.694 1.00 0.00 C ATOM 345 CD1 ILE A 24 -31.088 16.595 4.749 1.00 0.00 C ATOM 0 H ILE A 24 -30.036 16.501 8.564 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.348 19.046 7.896 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.707 16.075 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.738 18.536 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.207 18.017 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.650 16.585 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -34.021 16.962 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.632 18.274 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.567 17.002 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -30.531 15.744 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -32.086 16.271 4.454 1.00 0.00 H new ATOM 357 N ARG A 25 -32.417 19.096 10.177 1.00 0.00 N ATOM 358 CA ARG A 25 -33.386 19.355 11.273 1.00 0.00 C ATOM 359 C ARG A 25 -34.221 20.480 10.694 1.00 0.00 C ATOM 360 O ARG A 25 -34.297 21.577 11.213 1.00 0.00 O ATOM 361 CB ARG A 25 -32.601 19.785 12.508 1.00 0.00 C ATOM 362 CG ARG A 25 -31.765 18.593 13.088 1.00 0.00 C ATOM 363 CD ARG A 25 -32.606 17.302 13.275 1.00 0.00 C ATOM 364 NE ARG A 25 -32.664 16.564 11.969 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.302 15.313 11.851 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.498 14.492 12.845 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.759 14.945 10.723 1.00 0.00 N ATOM 0 H ARG A 25 -31.613 19.723 10.166 1.00 0.00 H new ATOM 0 HA ARG A 25 -34.000 18.509 11.582 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.935 20.609 12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.288 20.156 13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -30.929 18.383 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -31.340 18.887 14.048 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -32.161 16.671 14.045 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -33.612 17.553 13.611 1.00 0.00 H new ATOM 0 HE ARG A 25 -32.999 17.058 11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -32.931 14.827 13.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.219 13.514 12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -31.631 15.624 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.463 13.978 10.591 1.00 0.00 H new ATOM 381 N CYS A 26 -34.852 20.137 9.597 1.00 0.00 N ATOM 382 CA CYS A 26 -35.719 21.133 8.889 1.00 0.00 C ATOM 383 C CYS A 26 -36.805 21.683 9.807 1.00 0.00 C ATOM 384 O CYS A 26 -37.454 22.674 9.540 1.00 0.00 O ATOM 385 CB CYS A 26 -36.407 20.521 7.728 1.00 0.00 C ATOM 386 SG CYS A 26 -35.308 19.712 6.544 1.00 0.00 S ATOM 0 H CYS A 26 -34.805 19.215 9.162 1.00 0.00 H new ATOM 0 HA CYS A 26 -35.053 21.932 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -37.128 19.789 8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.973 21.294 7.209 1.00 0.00 H new ATOM 391 N GLN A 27 -36.949 20.973 10.887 1.00 0.00 N ATOM 392 CA GLN A 27 -37.946 21.319 11.914 1.00 0.00 C ATOM 393 C GLN A 27 -37.224 21.891 13.128 1.00 0.00 C ATOM 394 O GLN A 27 -36.103 21.517 13.413 1.00 0.00 O ATOM 395 CB GLN A 27 -38.712 20.075 12.350 1.00 0.00 C ATOM 396 CG GLN A 27 -37.699 18.922 12.613 1.00 0.00 C ATOM 397 CD GLN A 27 -37.548 18.062 11.351 1.00 0.00 C ATOM 398 OE1 GLN A 27 -37.887 18.563 10.198 1.00 0.00 O flip ATOM 399 NE2 GLN A 27 -37.117 16.934 11.390 1.00 0.00 N flip ATOM 0 H GLN A 27 -36.396 20.143 11.100 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.644 22.046 11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.287 20.284 13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.424 19.782 11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.732 19.334 12.901 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -38.043 18.306 13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -36.846 16.522 12.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -37.025 16.393 10.530 1.00 0.00 H new ATOM 408 N GLY A 28 -37.884 22.774 13.821 1.00 0.00 N ATOM 409 CA GLY A 28 -37.248 23.379 15.024 1.00 0.00 C ATOM 410 C GLY A 28 -35.976 24.131 14.618 1.00 0.00 C ATOM 411 O GLY A 28 -36.022 25.301 14.293 1.00 0.00 O ATOM 0 H GLY A 28 -38.827 23.101 13.610 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -37.945 24.061 15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -37.006 22.601 15.748 1.00 0.00 H new ATOM 415 N LYS A 29 -34.887 23.408 14.652 1.00 0.00 N ATOM 416 CA LYS A 29 -33.538 23.947 14.294 1.00 0.00 C ATOM 417 C LYS A 29 -33.635 24.772 13.008 1.00 0.00 C ATOM 418 O LYS A 29 -33.167 25.893 12.953 1.00 0.00 O ATOM 419 CB LYS A 29 -32.597 22.753 14.119 1.00 0.00 C ATOM 420 CG LYS A 29 -31.138 23.188 13.877 1.00 0.00 C ATOM 421 CD LYS A 29 -30.204 21.952 13.989 1.00 0.00 C ATOM 422 CE LYS A 29 -29.168 22.146 15.108 1.00 0.00 C ATOM 423 NZ LYS A 29 -28.205 23.221 14.740 1.00 0.00 N ATOM 0 H LYS A 29 -34.877 22.425 14.925 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.156 24.604 15.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.643 22.123 15.008 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.937 22.146 13.280 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.041 23.642 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -30.847 23.944 14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.798 21.060 14.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.694 21.790 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.672 22.403 16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.632 21.213 15.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -27.425 23.239 15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -27.824 23.036 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -28.692 24.140 14.745 1.00 0.00 H new ATOM 437 N TRP A 30 -34.245 24.194 12.003 1.00 0.00 N ATOM 438 CA TRP A 30 -34.383 24.939 10.713 1.00 0.00 C ATOM 439 C TRP A 30 -35.841 25.379 10.484 1.00 0.00 C ATOM 440 O TRP A 30 -36.321 25.313 9.370 1.00 0.00 O ATOM 441 CB TRP A 30 -33.977 24.062 9.531 1.00 0.00 C ATOM 442 CG TRP A 30 -32.492 23.749 9.502 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.783 23.021 10.389 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.582 24.135 8.584 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.515 22.932 10.087 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.359 23.608 8.984 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.691 24.889 7.445 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.232 23.857 8.219 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.577 25.140 6.689 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.352 24.628 7.070 1.00 0.00 C ATOM 0 H TRP A 30 -34.647 23.256 12.017 1.00 0.00 H new ATOM 0 HA TRP A 30 -33.731 25.810 10.780 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.538 23.128 9.570 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.255 24.562 8.603 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.220 22.558 11.262 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.794 22.434 10.609 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.651 25.283 7.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.272 23.457 8.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.656 25.739 5.794 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.478 24.829 6.468 1.00 0.00 H new ATOM 461 N ALA A 31 -36.504 25.808 11.524 1.00 0.00 N ATOM 462 CA ALA A 31 -37.930 26.270 11.462 1.00 0.00 C ATOM 463 C ALA A 31 -38.238 27.275 10.348 1.00 0.00 C ATOM 464 O ALA A 31 -38.419 28.458 10.571 1.00 0.00 O ATOM 465 CB ALA A 31 -38.283 26.875 12.830 1.00 0.00 C ATOM 0 H ALA A 31 -36.099 25.860 12.459 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.540 25.399 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -39.316 27.222 12.819 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.163 26.118 13.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -37.621 27.715 13.038 1.00 0.00 H new ATOM 471 N GLY A 32 -38.282 26.736 9.163 1.00 0.00 N ATOM 472 CA GLY A 32 -38.573 27.570 7.969 1.00 0.00 C ATOM 473 C GLY A 32 -37.373 27.601 7.052 1.00 0.00 C ATOM 474 O GLY A 32 -37.470 27.928 5.890 1.00 0.00 O ATOM 0 H GLY A 32 -38.128 25.746 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -39.436 27.169 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -38.831 28.583 8.278 1.00 0.00 H new ATOM 478 N LYS A 33 -36.252 27.235 7.599 1.00 0.00 N ATOM 479 CA LYS A 33 -34.998 27.225 6.799 1.00 0.00 C ATOM 480 C LYS A 33 -34.942 25.959 5.936 1.00 0.00 C ATOM 481 O LYS A 33 -33.959 25.708 5.266 1.00 0.00 O ATOM 482 CB LYS A 33 -33.809 27.315 7.805 1.00 0.00 C ATOM 483 CG LYS A 33 -33.724 28.752 8.357 1.00 0.00 C ATOM 484 CD LYS A 33 -33.444 29.727 7.173 1.00 0.00 C ATOM 485 CE LYS A 33 -32.330 30.721 7.515 1.00 0.00 C ATOM 486 NZ LYS A 33 -31.451 30.915 6.324 1.00 0.00 N ATOM 0 H LYS A 33 -36.148 26.941 8.570 1.00 0.00 H new ATOM 0 HA LYS A 33 -34.949 28.069 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -33.952 26.606 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -32.876 27.046 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -34.655 29.021 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -32.931 28.824 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -33.164 29.155 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -34.355 30.271 6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -32.761 31.674 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -31.744 30.351 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -30.695 31.590 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -31.030 30.004 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -32.015 31.286 5.533 1.00 0.00 H new ATOM 500 N ARG A 34 -36.011 25.203 5.982 1.00 0.00 N ATOM 501 CA ARG A 34 -36.162 23.928 5.206 1.00 0.00 C ATOM 502 C ARG A 34 -35.357 23.943 3.882 1.00 0.00 C ATOM 503 O ARG A 34 -34.425 23.183 3.699 1.00 0.00 O ATOM 504 CB ARG A 34 -37.693 23.746 4.963 1.00 0.00 C ATOM 505 CG ARG A 34 -38.038 22.599 3.976 1.00 0.00 C ATOM 506 CD ARG A 34 -37.193 21.359 4.275 1.00 0.00 C ATOM 507 NE ARG A 34 -37.844 20.162 3.677 1.00 0.00 N ATOM 508 CZ ARG A 34 -37.958 19.069 4.375 1.00 0.00 C ATOM 509 NH1 ARG A 34 -36.923 18.290 4.461 1.00 0.00 N ATOM 510 NH2 ARG A 34 -39.087 18.793 4.957 1.00 0.00 N ATOM 0 H ARG A 34 -36.825 25.429 6.554 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.753 23.086 5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -38.182 23.551 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -38.104 24.680 4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -39.097 22.352 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -37.861 22.928 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.189 21.482 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.086 21.229 5.352 1.00 0.00 H new ATOM 0 HE ARG A 34 -38.200 20.198 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -36.054 18.542 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -36.978 17.426 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -39.877 19.431 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -39.183 17.938 5.505 1.00 0.00 H new ATOM 524 N GLY A 35 -35.755 24.822 2.996 1.00 0.00 N ATOM 525 CA GLY A 35 -35.086 24.981 1.649 1.00 0.00 C ATOM 526 C GLY A 35 -33.565 24.767 1.682 1.00 0.00 C ATOM 527 O GLY A 35 -32.967 24.267 0.747 1.00 0.00 O ATOM 0 H GLY A 35 -36.538 25.458 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.528 24.272 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -35.295 25.980 1.266 1.00 0.00 H new ATOM 531 N LYS A 36 -32.996 25.162 2.786 1.00 0.00 N ATOM 532 CA LYS A 36 -31.536 25.029 2.982 1.00 0.00 C ATOM 533 C LYS A 36 -31.243 23.911 3.985 1.00 0.00 C ATOM 534 O LYS A 36 -30.145 23.396 3.919 1.00 0.00 O ATOM 535 CB LYS A 36 -30.985 26.381 3.480 1.00 0.00 C ATOM 536 CG LYS A 36 -30.931 27.389 2.310 1.00 0.00 C ATOM 537 CD LYS A 36 -30.043 28.598 2.706 1.00 0.00 C ATOM 538 CE LYS A 36 -28.578 28.357 2.280 1.00 0.00 C ATOM 539 NZ LYS A 36 -28.460 28.432 0.796 1.00 0.00 N ATOM 0 H LYS A 36 -33.495 25.578 3.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.049 24.767 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.618 26.770 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -29.989 26.245 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.530 26.906 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.937 27.729 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.421 29.504 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.093 28.756 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -27.929 29.101 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.245 27.380 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.475 28.642 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.741 27.522 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -29.081 29.184 0.436 1.00 0.00 H new ATOM 553 N CYS A 37 -32.159 23.539 4.863 1.00 0.00 N ATOM 554 CA CYS A 37 -31.865 22.428 5.850 1.00 0.00 C ATOM 555 C CYS A 37 -31.332 21.284 5.037 1.00 0.00 C ATOM 556 O CYS A 37 -30.461 20.531 5.421 1.00 0.00 O ATOM 557 CB CYS A 37 -33.128 21.909 6.566 1.00 0.00 C ATOM 558 SG CYS A 37 -34.424 21.210 5.516 1.00 0.00 S ATOM 0 H CYS A 37 -33.089 23.951 4.940 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.180 22.808 6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.824 21.148 7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.559 22.732 7.137 1.00 0.00 H new ATOM 563 N ALA A 38 -31.929 21.223 3.885 1.00 0.00 N ATOM 564 CA ALA A 38 -31.539 20.165 2.949 1.00 0.00 C ATOM 565 C ALA A 38 -30.214 20.517 2.286 1.00 0.00 C ATOM 566 O ALA A 38 -29.189 20.072 2.765 1.00 0.00 O ATOM 567 CB ALA A 38 -32.705 20.030 1.956 1.00 0.00 C ATOM 0 H ALA A 38 -32.661 21.856 3.562 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.368 19.207 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.475 19.252 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.614 19.764 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.855 20.978 1.439 1.00 0.00 H new ATOM 573 N ALA A 39 -30.256 21.279 1.224 1.00 0.00 N ATOM 574 CA ALA A 39 -29.008 21.688 0.498 1.00 0.00 C ATOM 575 C ALA A 39 -27.794 21.782 1.437 1.00 0.00 C ATOM 576 O ALA A 39 -26.793 21.114 1.263 1.00 0.00 O ATOM 577 CB ALA A 39 -29.256 23.043 -0.157 1.00 0.00 C ATOM 0 H ALA A 39 -31.118 21.644 0.819 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.778 20.928 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.360 23.359 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.086 22.961 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.500 23.779 0.610 1.00 0.00 H new ATOM 583 N HIS A 40 -27.965 22.633 2.415 1.00 0.00 N ATOM 584 CA HIS A 40 -26.901 22.871 3.433 1.00 0.00 C ATOM 585 C HIS A 40 -26.283 21.593 3.929 1.00 0.00 C ATOM 586 O HIS A 40 -25.081 21.424 3.881 1.00 0.00 O ATOM 587 CB HIS A 40 -27.450 23.580 4.666 1.00 0.00 C ATOM 588 CG HIS A 40 -26.287 24.059 5.583 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.219 23.343 5.819 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.191 25.254 6.268 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.542 24.121 6.616 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.063 25.279 6.926 1.00 0.00 N ATOM 0 H HIS A 40 -28.813 23.183 2.553 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.158 23.482 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.056 24.433 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -28.103 22.906 5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.930 26.042 6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -23.582 23.819 7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -24.686 26.012 7.526 1.00 0.00 H new ATOM 600 N CYS A 41 -27.140 20.728 4.392 1.00 0.00 N ATOM 601 CA CYS A 41 -26.657 19.437 4.929 1.00 0.00 C ATOM 602 C CYS A 41 -26.102 18.543 3.838 1.00 0.00 C ATOM 603 O CYS A 41 -25.172 17.793 4.070 1.00 0.00 O ATOM 604 CB CYS A 41 -27.845 18.810 5.644 1.00 0.00 C ATOM 605 SG CYS A 41 -28.426 19.629 7.151 1.00 0.00 S ATOM 0 H CYS A 41 -28.151 20.863 4.420 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.825 19.582 5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.677 18.764 4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.584 17.782 5.896 1.00 0.00 H new ATOM 610 N ILE A 42 -26.651 18.616 2.654 1.00 0.00 N ATOM 611 CA ILE A 42 -26.085 17.717 1.599 1.00 0.00 C ATOM 612 C ILE A 42 -24.640 18.130 1.262 1.00 0.00 C ATOM 613 O ILE A 42 -23.780 17.284 1.090 1.00 0.00 O ATOM 614 CB ILE A 42 -27.032 17.773 0.338 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.100 16.328 -0.240 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.525 18.754 -0.740 1.00 0.00 C ATOM 617 CD1 ILE A 42 -27.860 16.262 -1.584 1.00 0.00 C ATOM 0 H ILE A 42 -27.424 19.222 2.378 1.00 0.00 H new ATOM 0 HA ILE A 42 -26.040 16.688 1.956 1.00 0.00 H new ATOM 0 HB ILE A 42 -28.015 18.137 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.088 15.948 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.589 15.674 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -27.213 18.753 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -26.467 19.758 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.536 18.444 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -27.877 15.233 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -28.882 16.614 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -27.358 16.893 -2.317 1.00 0.00 H new ATOM 629 N ILE A 43 -24.397 19.414 1.190 1.00 0.00 N ATOM 630 CA ILE A 43 -23.018 19.885 0.868 1.00 0.00 C ATOM 631 C ILE A 43 -22.026 19.316 1.896 1.00 0.00 C ATOM 632 O ILE A 43 -20.829 19.323 1.678 1.00 0.00 O ATOM 633 CB ILE A 43 -22.975 21.440 0.899 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.124 22.062 0.049 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.643 21.925 0.292 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.598 23.375 0.708 1.00 0.00 C ATOM 0 H ILE A 43 -25.087 20.150 1.339 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.741 19.539 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.082 21.750 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.776 22.257 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.955 21.361 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.609 23.014 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.812 21.525 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.565 21.578 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.402 23.811 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -24.962 23.166 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.765 24.076 0.762 1.00 0.00 H new ATOM 648 N GLN A 44 -22.517 18.822 3.000 1.00 0.00 N ATOM 649 CA GLN A 44 -21.548 18.272 4.000 1.00 0.00 C ATOM 650 C GLN A 44 -21.072 16.920 3.451 1.00 0.00 C ATOM 651 O GLN A 44 -19.913 16.775 3.101 1.00 0.00 O ATOM 652 CB GLN A 44 -22.286 18.143 5.358 1.00 0.00 C ATOM 653 CG GLN A 44 -22.096 19.441 6.188 1.00 0.00 C ATOM 654 CD GLN A 44 -22.845 20.631 5.571 1.00 0.00 C ATOM 655 OE1 GLN A 44 -22.508 21.102 4.410 1.00 0.00 O flip ATOM 656 NE2 GLN A 44 -23.770 21.169 6.141 1.00 0.00 N flip ATOM 0 H GLN A 44 -23.505 18.774 3.250 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.679 18.910 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.347 17.961 5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.900 17.287 5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.451 19.277 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.034 19.676 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.070 20.833 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.248 21.958 5.705 1.00 0.00 H new ATOM 665 N LYS A 45 -21.976 15.977 3.390 1.00 0.00 N ATOM 666 CA LYS A 45 -21.656 14.606 2.864 1.00 0.00 C ATOM 667 C LYS A 45 -20.780 14.719 1.601 1.00 0.00 C ATOM 668 O LYS A 45 -19.911 13.909 1.343 1.00 0.00 O ATOM 669 CB LYS A 45 -22.995 13.902 2.556 1.00 0.00 C ATOM 670 CG LYS A 45 -22.770 12.634 1.691 1.00 0.00 C ATOM 671 CD LYS A 45 -24.019 11.725 1.725 1.00 0.00 C ATOM 672 CE LYS A 45 -24.866 11.917 0.463 1.00 0.00 C ATOM 673 NZ LYS A 45 -26.035 10.991 0.501 1.00 0.00 N ATOM 0 H LYS A 45 -22.944 16.098 3.688 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.095 14.026 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.489 13.628 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.660 14.590 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.551 12.922 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.903 12.085 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.713 10.682 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.616 11.953 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.209 12.950 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.264 11.723 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.892 11.501 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.867 10.193 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.162 10.632 1.469 1.00 0.00 H new ATOM 687 N ASN A 46 -21.061 15.761 0.859 1.00 0.00 N ATOM 688 CA ASN A 46 -20.320 16.037 -0.414 1.00 0.00 C ATOM 689 C ASN A 46 -18.963 16.715 -0.216 1.00 0.00 C ATOM 690 O ASN A 46 -18.035 16.420 -0.941 1.00 0.00 O ATOM 691 CB ASN A 46 -21.186 16.934 -1.321 1.00 0.00 C ATOM 692 CG ASN A 46 -22.584 16.328 -1.501 1.00 0.00 C ATOM 693 OD1 ASN A 46 -22.778 15.133 -1.433 1.00 0.00 O ATOM 694 ND2 ASN A 46 -23.602 17.104 -1.732 1.00 0.00 N ATOM 0 H ASN A 46 -21.784 16.444 1.084 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.124 15.065 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.268 17.930 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.706 17.050 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.532 16.703 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.470 18.113 -1.795 1.00 0.00 H new ATOM 701 N ASN A 47 -18.851 17.605 0.733 1.00 0.00 N ATOM 702 CA ASN A 47 -17.521 18.267 0.932 1.00 0.00 C ATOM 703 C ASN A 47 -16.548 17.173 1.372 1.00 0.00 C ATOM 704 O ASN A 47 -15.421 17.072 0.931 1.00 0.00 O ATOM 705 CB ASN A 47 -17.630 19.342 2.031 1.00 0.00 C ATOM 706 CG ASN A 47 -18.119 20.659 1.434 1.00 0.00 C ATOM 707 OD1 ASN A 47 -17.963 20.936 0.264 1.00 0.00 O ATOM 708 ND2 ASN A 47 -18.723 21.529 2.186 1.00 0.00 N ATOM 0 H ASN A 47 -19.596 17.899 1.364 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.182 18.752 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.318 19.009 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -16.659 19.487 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -19.048 22.410 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -18.873 21.331 3.175 1.00 0.00 H new ATOM 715 N CYS A 48 -17.071 16.377 2.258 1.00 0.00 N ATOM 716 CA CYS A 48 -16.335 15.219 2.861 1.00 0.00 C ATOM 717 C CYS A 48 -15.671 14.377 1.754 1.00 0.00 C ATOM 718 O CYS A 48 -14.509 14.017 1.809 1.00 0.00 O ATOM 719 CB CYS A 48 -17.362 14.415 3.643 1.00 0.00 C ATOM 720 SG CYS A 48 -16.914 13.751 5.266 1.00 0.00 S ATOM 0 H CYS A 48 -18.023 16.483 2.608 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.533 15.549 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.240 15.047 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.667 13.576 3.018 1.00 0.00 H new ATOM 725 N LYS A 49 -16.461 14.088 0.752 1.00 0.00 N ATOM 726 CA LYS A 49 -15.978 13.277 -0.411 1.00 0.00 C ATOM 727 C LYS A 49 -14.740 13.892 -1.082 1.00 0.00 C ATOM 728 O LYS A 49 -14.088 13.234 -1.865 1.00 0.00 O ATOM 729 CB LYS A 49 -17.123 13.156 -1.439 1.00 0.00 C ATOM 730 CG LYS A 49 -18.104 12.058 -0.985 1.00 0.00 C ATOM 731 CD LYS A 49 -19.200 11.874 -2.050 1.00 0.00 C ATOM 732 CE LYS A 49 -20.116 10.700 -1.653 1.00 0.00 C ATOM 733 NZ LYS A 49 -21.317 10.683 -2.538 1.00 0.00 N ATOM 0 H LYS A 49 -17.435 14.383 0.688 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.684 12.295 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.644 14.109 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.720 12.915 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.570 11.120 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.553 12.329 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.785 12.789 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.747 11.682 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.575 9.758 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.421 10.799 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.935 9.891 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.837 11.578 -2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -21.018 10.569 -3.527 1.00 0.00 H new ATOM 747 N GLY A 50 -14.440 15.125 -0.764 1.00 0.00 N ATOM 748 CA GLY A 50 -13.251 15.808 -1.367 1.00 0.00 C ATOM 749 C GLY A 50 -12.107 15.888 -0.360 1.00 0.00 C ATOM 750 O GLY A 50 -11.018 16.311 -0.694 1.00 0.00 O ATOM 0 H GLY A 50 -14.972 15.695 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.924 15.265 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.527 16.811 -1.691 1.00 0.00 H new ATOM 754 N LYS A 51 -12.385 15.472 0.845 1.00 0.00 N ATOM 755 CA LYS A 51 -11.354 15.494 1.923 1.00 0.00 C ATOM 756 C LYS A 51 -10.857 14.057 2.123 1.00 0.00 C ATOM 757 O LYS A 51 -9.702 13.849 2.444 1.00 0.00 O ATOM 758 CB LYS A 51 -12.024 16.117 3.208 1.00 0.00 C ATOM 759 CG LYS A 51 -12.542 15.103 4.262 1.00 0.00 C ATOM 760 CD LYS A 51 -13.153 15.908 5.441 1.00 0.00 C ATOM 761 CE LYS A 51 -13.346 15.005 6.676 1.00 0.00 C ATOM 762 NZ LYS A 51 -13.636 15.841 7.882 1.00 0.00 N ATOM 0 H LYS A 51 -13.295 15.113 1.133 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.485 16.105 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.300 16.774 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.860 16.742 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.291 14.444 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.728 14.470 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.501 16.744 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.111 16.331 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.165 14.307 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.449 14.409 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.765 15.224 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.841 16.490 8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.504 16.391 7.722 1.00 0.00 H new ATOM 776 N CYS A 52 -11.738 13.108 1.929 1.00 0.00 N ATOM 777 CA CYS A 52 -11.346 11.672 2.091 1.00 0.00 C ATOM 778 C CYS A 52 -11.082 10.973 0.748 1.00 0.00 C ATOM 779 O CYS A 52 -10.153 10.197 0.628 1.00 0.00 O ATOM 780 CB CYS A 52 -12.466 10.979 2.838 1.00 0.00 C ATOM 781 SG CYS A 52 -13.125 11.898 4.251 1.00 0.00 S ATOM 0 H CYS A 52 -12.711 13.264 1.666 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.408 11.619 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -13.280 10.781 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.105 10.012 3.189 1.00 0.00 H new ATOM 786 N LYS A 53 -11.893 11.272 -0.235 1.00 0.00 N ATOM 787 CA LYS A 53 -11.708 10.627 -1.574 1.00 0.00 C ATOM 788 C LYS A 53 -11.022 11.593 -2.541 1.00 0.00 C ATOM 789 O LYS A 53 -10.923 12.779 -2.297 1.00 0.00 O ATOM 790 CB LYS A 53 -13.085 10.212 -2.188 1.00 0.00 C ATOM 791 CG LYS A 53 -14.061 9.632 -1.134 1.00 0.00 C ATOM 792 CD LYS A 53 -15.125 8.757 -1.856 1.00 0.00 C ATOM 793 CE LYS A 53 -16.095 8.128 -0.831 1.00 0.00 C ATOM 794 NZ LYS A 53 -17.057 7.208 -1.513 1.00 0.00 N ATOM 0 H LYS A 53 -12.670 11.930 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.090 9.741 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.543 11.080 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.920 9.471 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.515 9.035 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.547 10.439 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.683 9.366 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.631 7.971 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.530 7.579 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.642 8.914 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.701 6.795 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.608 7.741 -2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.532 6.448 -1.990 1.00 0.00 H new ATOM 808 N LYS A 54 -10.562 11.035 -3.630 1.00 0.00 N ATOM 809 CA LYS A 54 -9.862 11.842 -4.686 1.00 0.00 C ATOM 810 C LYS A 54 -10.732 11.934 -5.952 1.00 0.00 C ATOM 811 O LYS A 54 -10.378 12.585 -6.915 1.00 0.00 O ATOM 812 CB LYS A 54 -8.513 11.167 -5.036 1.00 0.00 C ATOM 813 CG LYS A 54 -7.764 10.718 -3.752 1.00 0.00 C ATOM 814 CD LYS A 54 -8.056 9.223 -3.444 1.00 0.00 C ATOM 815 CE LYS A 54 -6.782 8.365 -3.638 1.00 0.00 C ATOM 816 NZ LYS A 54 -6.787 7.707 -4.980 1.00 0.00 N ATOM 0 H LYS A 54 -10.641 10.040 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.686 12.848 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.690 10.304 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.891 11.862 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.692 10.866 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.073 11.336 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.417 9.121 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.848 8.860 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.896 8.993 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.725 7.607 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.901 7.178 -5.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.594 7.053 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.870 8.431 -5.722 1.00 0.00 H new ATOM 830 N GLU A 55 -11.860 11.273 -5.917 1.00 0.00 N ATOM 831 CA GLU A 55 -12.805 11.271 -7.081 1.00 0.00 C ATOM 832 C GLU A 55 -14.248 11.526 -6.610 1.00 0.00 C ATOM 833 O GLU A 55 -15.001 12.066 -7.405 1.00 0.00 O ATOM 834 CB GLU A 55 -12.713 9.895 -7.823 1.00 0.00 C ATOM 835 CG GLU A 55 -12.822 8.670 -6.870 1.00 0.00 C ATOM 836 CD GLU A 55 -11.501 8.464 -6.097 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.533 8.078 -6.733 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.527 8.714 -4.900 1.00 0.00 O ATOM 839 OXT GLU A 55 -14.513 11.161 -5.475 1.00 0.00 O ATOM 0 H GLU A 55 -12.174 10.724 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.525 12.072 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.507 9.838 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.767 9.844 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.641 8.821 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.057 7.774 -7.445 1.00 0.00 H new TER 846 GLU A 55