USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 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 1 ALA N :NH3+ 161:sc= -0.0686 (180deg=-0.399) USER MOD Set 1.2: A 2 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 4 THR OG1 : rot 96:sc= 0.141 USER MOD Single : A 9 TYR OH : rot 98:sc= -2.45 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.25) USER MOD Single : A 15 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= -0.209 (180deg=-1.21) USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= 0.0731 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -5.88! K(o=-5.9!,f=-0.86) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 1.16 (180deg=-0.103) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-6.2!) USER MOD Single : A 44 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.84) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.433) USER MOD Single : A 46 ASN : amide:sc= -5.28! C(o=-5.3!,f=-7.9!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= -0.0206 (180deg=-0.113) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.048 (180deg=-1.03) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.541) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.224 -0.458 -7.967 1.00 0.00 N ATOM 2 CA ALA A 1 -9.642 -1.156 -6.711 1.00 0.00 C ATOM 3 C ALA A 1 -8.404 -1.723 -5.989 1.00 0.00 C ATOM 4 O ALA A 1 -8.453 -2.754 -5.346 1.00 0.00 O ATOM 5 CB ALA A 1 -10.616 -2.299 -7.066 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.043 -0.363 -8.601 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.856 0.486 -7.733 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.482 -1.011 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.140 -0.448 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.924 -2.811 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.493 -1.888 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.120 -3.007 -7.730 1.00 0.00 H new ATOM 13 N SER A 2 -7.320 -1.014 -6.131 1.00 0.00 N ATOM 14 CA SER A 2 -6.023 -1.415 -5.501 1.00 0.00 C ATOM 15 C SER A 2 -5.542 -0.422 -4.429 1.00 0.00 C ATOM 16 O SER A 2 -4.874 -0.801 -3.488 1.00 0.00 O ATOM 17 CB SER A 2 -4.993 -1.525 -6.627 1.00 0.00 C ATOM 18 OG SER A 2 -5.321 -0.423 -7.476 1.00 0.00 O ATOM 0 H SER A 2 -7.274 -0.150 -6.671 1.00 0.00 H new ATOM 0 HA SER A 2 -6.158 -2.364 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.973 -1.453 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.071 -2.476 -7.153 1.00 0.00 H new ATOM 0 HG SER A 2 -4.707 -0.404 -8.239 1.00 0.00 H new ATOM 24 N ALA A 3 -5.890 0.828 -4.596 1.00 0.00 N ATOM 25 CA ALA A 3 -5.471 1.876 -3.614 1.00 0.00 C ATOM 26 C ALA A 3 -6.644 2.174 -2.676 1.00 0.00 C ATOM 27 O ALA A 3 -7.135 3.284 -2.592 1.00 0.00 O ATOM 28 CB ALA A 3 -5.048 3.133 -4.408 1.00 0.00 C ATOM 0 H ALA A 3 -6.451 1.171 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.630 1.541 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.737 3.914 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.218 2.884 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.890 3.489 -5.002 1.00 0.00 H new ATOM 34 N THR A 4 -7.058 1.149 -1.993 1.00 0.00 N ATOM 35 CA THR A 4 -8.193 1.227 -1.022 1.00 0.00 C ATOM 36 C THR A 4 -7.910 2.141 0.196 1.00 0.00 C ATOM 37 O THR A 4 -7.794 1.671 1.310 1.00 0.00 O ATOM 38 CB THR A 4 -8.509 -0.235 -0.553 1.00 0.00 C ATOM 39 OG1 THR A 4 -7.829 -1.080 -1.477 1.00 0.00 O ATOM 40 CG2 THR A 4 -9.983 -0.603 -0.760 1.00 0.00 C ATOM 0 H THR A 4 -6.642 0.221 -2.068 1.00 0.00 H new ATOM 0 HA THR A 4 -9.046 1.682 -1.525 1.00 0.00 H new ATOM 0 HB THR A 4 -8.235 -0.332 0.498 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.960 -1.339 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.154 -1.625 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.612 0.079 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.232 -0.526 -1.818 1.00 0.00 H new ATOM 48 N TRP A 5 -7.804 3.419 -0.037 1.00 0.00 N ATOM 49 CA TRP A 5 -7.536 4.363 1.095 1.00 0.00 C ATOM 50 C TRP A 5 -8.776 5.223 1.338 1.00 0.00 C ATOM 51 O TRP A 5 -8.770 6.155 2.113 1.00 0.00 O ATOM 52 CB TRP A 5 -6.298 5.195 0.702 1.00 0.00 C ATOM 53 CG TRP A 5 -5.186 4.169 0.432 1.00 0.00 C ATOM 54 CD1 TRP A 5 -4.611 3.840 -0.770 1.00 0.00 C ATOM 55 CD2 TRP A 5 -4.571 3.359 1.358 1.00 0.00 C ATOM 56 NE1 TRP A 5 -3.710 2.901 -0.635 1.00 0.00 N ATOM 57 CE2 TRP A 5 -3.661 2.590 0.636 1.00 0.00 C ATOM 58 CE3 TRP A 5 -4.689 3.189 2.737 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -2.869 1.651 1.296 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.900 2.252 3.394 1.00 0.00 C ATOM 61 CH2 TRP A 5 -2.991 1.482 2.675 1.00 0.00 C ATOM 0 H TRP A 5 -7.890 3.854 -0.956 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.330 3.844 2.031 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -6.496 5.801 -0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.015 5.880 1.501 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -4.871 4.300 -1.712 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.150 2.488 -1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.395 3.786 3.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.161 1.055 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.992 2.122 4.462 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.379 0.753 3.185 1.00 0.00 H new ATOM 72 N GLY A 6 -9.826 4.856 0.648 1.00 0.00 N ATOM 73 CA GLY A 6 -11.134 5.584 0.764 1.00 0.00 C ATOM 74 C GLY A 6 -12.175 4.686 1.442 1.00 0.00 C ATOM 75 O GLY A 6 -12.885 5.080 2.345 1.00 0.00 O ATOM 0 H GLY A 6 -9.836 4.070 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.000 6.499 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.485 5.879 -0.225 1.00 0.00 H new ATOM 79 N ALA A 7 -12.228 3.465 0.987 1.00 0.00 N ATOM 80 CA ALA A 7 -13.204 2.489 1.567 1.00 0.00 C ATOM 81 C ALA A 7 -12.572 1.736 2.745 1.00 0.00 C ATOM 82 O ALA A 7 -13.150 0.805 3.262 1.00 0.00 O ATOM 83 CB ALA A 7 -13.628 1.499 0.459 1.00 0.00 C ATOM 0 H ALA A 7 -11.640 3.097 0.239 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.079 3.021 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.340 0.781 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -14.094 2.047 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.750 0.970 0.088 1.00 0.00 H new ATOM 89 N ALA A 8 -11.393 2.156 3.124 1.00 0.00 N ATOM 90 CA ALA A 8 -10.678 1.505 4.269 1.00 0.00 C ATOM 91 C ALA A 8 -10.848 2.380 5.517 1.00 0.00 C ATOM 92 O ALA A 8 -10.955 1.878 6.620 1.00 0.00 O ATOM 93 CB ALA A 8 -9.187 1.362 3.929 1.00 0.00 C ATOM 0 H ALA A 8 -10.889 2.928 2.688 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.094 0.515 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.668 0.889 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.075 0.748 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.759 2.348 3.748 1.00 0.00 H new ATOM 99 N TYR A 9 -10.843 3.673 5.286 1.00 0.00 N ATOM 100 CA TYR A 9 -11.003 4.689 6.375 1.00 0.00 C ATOM 101 C TYR A 9 -12.438 5.328 6.447 1.00 0.00 C ATOM 102 O TYR A 9 -12.532 6.538 6.506 1.00 0.00 O ATOM 103 CB TYR A 9 -9.846 5.769 6.144 1.00 0.00 C ATOM 104 CG TYR A 9 -10.288 7.020 5.350 1.00 0.00 C ATOM 105 CD1 TYR A 9 -10.944 6.917 4.136 1.00 0.00 C ATOM 106 CD2 TYR A 9 -10.052 8.282 5.861 1.00 0.00 C ATOM 107 CE1 TYR A 9 -11.354 8.039 3.457 1.00 0.00 C ATOM 108 CE2 TYR A 9 -10.462 9.395 5.178 1.00 0.00 C ATOM 109 CZ TYR A 9 -11.118 9.286 3.971 1.00 0.00 C ATOM 110 OH TYR A 9 -11.549 10.394 3.279 1.00 0.00 O ATOM 0 H TYR A 9 -10.731 4.077 4.356 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.906 4.213 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.463 6.086 7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.021 5.292 5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.137 5.941 3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.540 8.391 6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.866 7.937 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.268 10.374 5.591 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.402 10.701 3.651 1.00 0.00 H new HETATM 120 N HYP A 10 -13.521 4.584 6.445 1.00 0.00 N HETATM 121 CA HYP A 10 -14.918 5.131 6.300 1.00 0.00 C HETATM 122 C HYP A 10 -15.434 5.892 7.554 1.00 0.00 C HETATM 123 O HYP A 10 -16.506 5.649 8.071 1.00 0.00 O HETATM 124 CB HYP A 10 -15.811 3.921 5.961 1.00 0.00 C HETATM 125 CG HYP A 10 -15.079 2.785 6.695 1.00 0.00 C HETATM 126 CD HYP A 10 -13.593 3.100 6.578 1.00 0.00 C HETATM 127 OD1 HYP A 10 -15.249 1.640 5.874 1.00 0.00 O HETATM 0 HD23 HYP A 10 -13.152 2.605 5.713 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -13.046 2.756 7.456 1.00 0.00 H new HETATM 0 HG HYP A 10 -15.423 2.659 7.722 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -14.801 0.872 6.286 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -16.832 4.051 6.321 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -15.871 3.744 4.887 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.936 5.888 5.516 1.00 0.00 H new ATOM 135 N ALA A 11 -14.641 6.819 8.008 1.00 0.00 N ATOM 136 CA ALA A 11 -14.944 7.659 9.190 1.00 0.00 C ATOM 137 C ALA A 11 -14.914 9.077 8.641 1.00 0.00 C ATOM 138 O ALA A 11 -15.959 9.651 8.409 1.00 0.00 O ATOM 139 CB ALA A 11 -13.853 7.448 10.250 1.00 0.00 C ATOM 0 H ALA A 11 -13.742 7.037 7.577 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.896 7.427 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.070 8.064 11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.829 6.398 10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.885 7.732 9.837 1.00 0.00 H new ATOM 145 N CYS A 12 -13.727 9.599 8.440 1.00 0.00 N ATOM 146 CA CYS A 12 -13.586 10.995 7.899 1.00 0.00 C ATOM 147 C CYS A 12 -14.592 11.264 6.780 1.00 0.00 C ATOM 148 O CYS A 12 -15.038 12.378 6.633 1.00 0.00 O ATOM 149 CB CYS A 12 -12.171 11.249 7.322 1.00 0.00 C ATOM 150 SG CYS A 12 -11.715 12.995 7.133 1.00 0.00 S ATOM 0 H CYS A 12 -12.846 9.120 8.627 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.769 11.661 8.742 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.440 10.767 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.101 10.764 6.348 1.00 0.00 H new ATOM 155 N GLU A 13 -14.933 10.251 6.028 1.00 0.00 N ATOM 156 CA GLU A 13 -15.913 10.441 4.913 1.00 0.00 C ATOM 157 C GLU A 13 -17.334 9.979 5.257 1.00 0.00 C ATOM 158 O GLU A 13 -18.277 10.416 4.627 1.00 0.00 O ATOM 159 CB GLU A 13 -15.458 9.658 3.684 1.00 0.00 C ATOM 160 CG GLU A 13 -16.306 10.158 2.455 1.00 0.00 C ATOM 161 CD GLU A 13 -17.180 9.039 1.817 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.471 8.058 2.489 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.513 9.247 0.660 1.00 0.00 O ATOM 0 H GLU A 13 -14.577 9.301 6.136 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.943 11.514 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.394 9.814 3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.601 8.588 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.951 10.976 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.634 10.561 1.698 1.00 0.00 H new ATOM 170 N ASN A 14 -17.500 9.122 6.232 1.00 0.00 N ATOM 171 CA ASN A 14 -18.904 8.677 6.549 1.00 0.00 C ATOM 172 C ASN A 14 -19.505 9.601 7.579 1.00 0.00 C ATOM 173 O ASN A 14 -20.712 9.692 7.679 1.00 0.00 O ATOM 174 CB ASN A 14 -18.931 7.240 7.116 1.00 0.00 C ATOM 175 CG ASN A 14 -18.735 6.231 5.984 1.00 0.00 C ATOM 176 OD1 ASN A 14 -19.155 5.094 6.039 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.094 6.617 4.923 1.00 0.00 N ATOM 0 H ASN A 14 -16.760 8.720 6.807 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.475 8.702 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.146 7.119 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.880 7.056 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.949 5.967 4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.735 7.570 4.862 1.00 0.00 H new ATOM 184 N ASN A 15 -18.658 10.267 8.320 1.00 0.00 N ATOM 185 CA ASN A 15 -19.166 11.206 9.360 1.00 0.00 C ATOM 186 C ASN A 15 -20.108 12.194 8.671 1.00 0.00 C ATOM 187 O ASN A 15 -21.200 12.400 9.155 1.00 0.00 O ATOM 188 CB ASN A 15 -17.935 11.907 10.036 1.00 0.00 C ATOM 189 CG ASN A 15 -17.575 13.217 9.347 1.00 0.00 C ATOM 190 OD1 ASN A 15 -18.194 14.231 9.585 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.606 13.273 8.488 1.00 0.00 N ATOM 0 H ASN A 15 -17.643 10.201 8.250 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.724 10.699 10.147 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.158 12.099 11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.076 11.236 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.380 14.156 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.069 12.434 8.270 1.00 0.00 H new ATOM 198 N CYS A 16 -19.699 12.763 7.566 1.00 0.00 N ATOM 199 CA CYS A 16 -20.608 13.719 6.892 1.00 0.00 C ATOM 200 C CYS A 16 -21.678 12.971 6.113 1.00 0.00 C ATOM 201 O CYS A 16 -22.738 13.511 5.881 1.00 0.00 O ATOM 202 CB CYS A 16 -19.829 14.602 5.917 1.00 0.00 C ATOM 203 SG CYS A 16 -18.080 14.944 6.241 1.00 0.00 S ATOM 0 H CYS A 16 -18.797 12.609 7.115 1.00 0.00 H new ATOM 0 HA CYS A 16 -21.072 14.338 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.896 14.142 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.345 15.560 5.857 1.00 0.00 H new ATOM 208 N ARG A 17 -21.401 11.752 5.733 1.00 0.00 N ATOM 209 CA ARG A 17 -22.429 10.989 4.958 1.00 0.00 C ATOM 210 C ARG A 17 -23.644 10.831 5.856 1.00 0.00 C ATOM 211 O ARG A 17 -24.775 11.005 5.444 1.00 0.00 O ATOM 212 CB ARG A 17 -21.880 9.605 4.577 1.00 0.00 C ATOM 213 CG ARG A 17 -22.987 8.823 3.837 1.00 0.00 C ATOM 214 CD ARG A 17 -22.359 7.819 2.867 1.00 0.00 C ATOM 215 NE ARG A 17 -23.401 7.457 1.864 1.00 0.00 N ATOM 216 CZ ARG A 17 -23.261 7.876 0.639 1.00 0.00 C ATOM 217 NH1 ARG A 17 -23.617 9.098 0.359 1.00 0.00 N ATOM 218 NH2 ARG A 17 -22.771 7.061 -0.245 1.00 0.00 N ATOM 0 H ARG A 17 -20.528 11.258 5.919 1.00 0.00 H new ATOM 0 HA ARG A 17 -22.689 11.516 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.001 9.709 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.566 9.064 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -23.618 8.301 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.630 9.514 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.488 8.253 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.016 6.933 3.401 1.00 0.00 H new ATOM 0 HE ARG A 17 -24.207 6.893 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.994 9.700 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -23.518 9.453 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.505 6.114 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.652 7.367 -1.211 1.00 0.00 H new ATOM 232 N LYS A 18 -23.331 10.504 7.078 1.00 0.00 N ATOM 233 CA LYS A 18 -24.394 10.312 8.087 1.00 0.00 C ATOM 234 C LYS A 18 -24.837 11.704 8.496 1.00 0.00 C ATOM 235 O LYS A 18 -25.995 12.021 8.325 1.00 0.00 O ATOM 236 CB LYS A 18 -23.823 9.536 9.292 1.00 0.00 C ATOM 237 CG LYS A 18 -24.253 8.065 9.175 1.00 0.00 C ATOM 238 CD LYS A 18 -24.005 7.342 10.516 1.00 0.00 C ATOM 239 CE LYS A 18 -24.118 5.828 10.299 1.00 0.00 C ATOM 240 NZ LYS A 18 -23.085 5.384 9.322 1.00 0.00 N ATOM 0 H LYS A 18 -22.380 10.362 7.417 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.235 9.738 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.736 9.612 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.188 9.964 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.308 8.005 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.694 7.575 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -23.017 7.594 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.731 7.670 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -23.986 5.304 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.113 5.577 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.613 4.529 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -23.538 5.173 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.382 6.139 9.193 1.00 0.00 H new ATOM 254 N LYS A 19 -23.937 12.509 9.013 1.00 0.00 N ATOM 255 CA LYS A 19 -24.315 13.899 9.435 1.00 0.00 C ATOM 256 C LYS A 19 -25.294 14.525 8.436 1.00 0.00 C ATOM 257 O LYS A 19 -26.316 15.014 8.849 1.00 0.00 O ATOM 258 CB LYS A 19 -23.047 14.767 9.546 1.00 0.00 C ATOM 259 CG LYS A 19 -23.190 16.036 10.452 1.00 0.00 C ATOM 260 CD LYS A 19 -24.421 16.069 11.428 1.00 0.00 C ATOM 261 CE LYS A 19 -24.092 15.340 12.750 1.00 0.00 C ATOM 262 NZ LYS A 19 -25.307 15.272 13.619 1.00 0.00 N ATOM 0 H LYS A 19 -22.958 12.264 9.161 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.807 13.847 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.236 14.151 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.754 15.085 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.282 16.134 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.244 16.912 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.698 17.102 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -25.281 15.598 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.731 14.334 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.291 15.863 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.352 14.341 14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.257 16.016 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.158 15.411 13.038 1.00 0.00 H new ATOM 276 N TYR A 20 -24.996 14.509 7.164 1.00 0.00 N ATOM 277 CA TYR A 20 -25.930 15.104 6.146 1.00 0.00 C ATOM 278 C TYR A 20 -27.383 14.669 6.462 1.00 0.00 C ATOM 279 O TYR A 20 -28.325 15.437 6.501 1.00 0.00 O ATOM 280 CB TYR A 20 -25.463 14.595 4.739 1.00 0.00 C ATOM 281 CG TYR A 20 -26.638 14.236 3.808 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.641 15.148 3.552 1.00 0.00 C ATOM 283 CD2 TYR A 20 -26.704 12.996 3.206 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.683 14.832 2.716 1.00 0.00 C ATOM 285 CE2 TYR A 20 -27.754 12.682 2.366 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.750 13.600 2.116 1.00 0.00 C ATOM 287 OH TYR A 20 -29.804 13.303 1.277 1.00 0.00 O ATOM 0 H TYR A 20 -24.141 14.108 6.778 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.909 16.194 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.853 15.364 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.828 13.719 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.606 16.123 4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -25.930 12.267 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.458 15.561 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -27.795 11.708 1.901 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.701 12.391 0.933 1.00 0.00 H new ATOM 297 N ASP A 21 -27.489 13.397 6.698 1.00 0.00 N ATOM 298 CA ASP A 21 -28.788 12.732 7.022 1.00 0.00 C ATOM 299 C ASP A 21 -29.205 13.001 8.467 1.00 0.00 C ATOM 300 O ASP A 21 -30.363 12.868 8.809 1.00 0.00 O ATOM 301 CB ASP A 21 -28.598 11.239 6.788 1.00 0.00 C ATOM 302 CG ASP A 21 -29.182 10.795 5.434 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.395 10.676 5.372 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.382 10.594 4.535 1.00 0.00 O ATOM 0 H ASP A 21 -26.694 12.758 6.680 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.582 13.128 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.536 10.998 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.078 10.681 7.592 1.00 0.00 H new ATOM 309 N LEU A 22 -28.247 13.368 9.273 1.00 0.00 N ATOM 310 CA LEU A 22 -28.512 13.670 10.719 1.00 0.00 C ATOM 311 C LEU A 22 -28.359 15.185 10.956 1.00 0.00 C ATOM 312 O LEU A 22 -28.181 15.636 12.072 1.00 0.00 O ATOM 313 CB LEU A 22 -27.502 12.906 11.612 1.00 0.00 C ATOM 314 CG LEU A 22 -27.420 11.397 11.242 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.175 10.782 11.921 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.680 10.670 11.756 1.00 0.00 C ATOM 0 H LEU A 22 -27.273 13.475 8.990 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.524 13.355 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.515 13.358 11.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.794 13.007 12.657 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.351 11.289 10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.108 9.724 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.279 11.296 11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.259 10.892 13.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.622 9.613 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.744 10.775 12.839 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.566 11.108 11.296 1.00 0.00 H new ATOM 328 N CYS A 23 -28.422 15.920 9.878 1.00 0.00 N ATOM 329 CA CYS A 23 -28.301 17.411 9.919 1.00 0.00 C ATOM 330 C CYS A 23 -29.589 18.043 9.375 1.00 0.00 C ATOM 331 O CYS A 23 -29.908 19.168 9.712 1.00 0.00 O ATOM 332 CB CYS A 23 -27.073 17.796 9.075 1.00 0.00 C ATOM 333 SG CYS A 23 -26.978 19.434 8.307 1.00 0.00 S ATOM 0 H CYS A 23 -28.556 15.539 8.942 1.00 0.00 H new ATOM 0 HA CYS A 23 -28.167 17.777 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -26.195 17.685 9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.984 17.058 8.277 1.00 0.00 H new ATOM 338 N ILE A 24 -30.306 17.309 8.555 1.00 0.00 N ATOM 339 CA ILE A 24 -31.578 17.867 7.989 1.00 0.00 C ATOM 340 C ILE A 24 -32.707 17.916 9.039 1.00 0.00 C ATOM 341 O ILE A 24 -33.719 17.239 9.020 1.00 0.00 O ATOM 342 CB ILE A 24 -31.925 16.981 6.722 1.00 0.00 C ATOM 343 CG1 ILE A 24 -31.208 17.657 5.555 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.404 16.987 6.314 1.00 0.00 C ATOM 345 CD1 ILE A 24 -30.805 16.628 4.494 1.00 0.00 C ATOM 0 H ILE A 24 -30.071 16.362 8.257 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.459 18.908 7.690 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.644 15.955 6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.859 18.410 5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -30.322 18.177 5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.542 16.353 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -34.010 16.607 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.712 18.005 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.296 17.132 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -30.136 15.891 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -31.696 16.127 4.116 1.00 0.00 H new ATOM 357 N ARG A 25 -32.503 18.779 9.989 1.00 0.00 N ATOM 358 CA ARG A 25 -33.501 18.951 11.073 1.00 0.00 C ATOM 359 C ARG A 25 -34.270 20.148 10.562 1.00 0.00 C ATOM 360 O ARG A 25 -34.316 21.210 11.153 1.00 0.00 O ATOM 361 CB ARG A 25 -32.783 19.253 12.407 1.00 0.00 C ATOM 362 CG ARG A 25 -32.513 17.940 13.176 1.00 0.00 C ATOM 363 CD ARG A 25 -31.593 17.025 12.350 1.00 0.00 C ATOM 364 NE ARG A 25 -32.439 16.189 11.448 1.00 0.00 N ATOM 365 CZ ARG A 25 -32.316 14.893 11.438 1.00 0.00 C ATOM 366 NH1 ARG A 25 -32.659 14.191 12.482 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.845 14.350 10.358 1.00 0.00 N ATOM 0 H ARG A 25 -31.680 19.378 10.061 1.00 0.00 H new ATOM 0 HA ARG A 25 -34.128 18.083 11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.843 19.770 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.394 19.920 13.015 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -32.051 18.161 14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -33.454 17.431 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -30.892 17.621 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -31.000 16.390 13.009 1.00 0.00 H new ATOM 0 HE ARG A 25 -33.119 16.637 10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -33.026 14.657 13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -32.561 13.176 12.469 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -31.589 14.935 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.731 13.338 10.304 1.00 0.00 H new ATOM 381 N CYS A 26 -34.886 19.915 9.428 1.00 0.00 N ATOM 382 CA CYS A 26 -35.689 21.010 8.803 1.00 0.00 C ATOM 383 C CYS A 26 -36.826 21.454 9.732 1.00 0.00 C ATOM 384 O CYS A 26 -37.580 22.361 9.446 1.00 0.00 O ATOM 385 CB CYS A 26 -36.320 20.571 7.529 1.00 0.00 C ATOM 386 SG CYS A 26 -35.233 19.817 6.295 1.00 0.00 S ATOM 0 H CYS A 26 -34.869 19.032 8.917 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.993 21.828 8.617 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -37.108 19.857 7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.802 21.436 7.073 1.00 0.00 H new ATOM 391 N GLN A 27 -36.897 20.768 10.839 1.00 0.00 N ATOM 392 CA GLN A 27 -37.917 21.023 11.859 1.00 0.00 C ATOM 393 C GLN A 27 -37.213 21.605 13.093 1.00 0.00 C ATOM 394 O GLN A 27 -36.069 21.274 13.336 1.00 0.00 O ATOM 395 CB GLN A 27 -38.614 19.692 12.202 1.00 0.00 C ATOM 396 CG GLN A 27 -37.587 18.646 12.738 1.00 0.00 C ATOM 397 CD GLN A 27 -37.086 17.724 11.625 1.00 0.00 C ATOM 398 OE1 GLN A 27 -36.734 16.589 11.857 1.00 0.00 O ATOM 399 NE2 GLN A 27 -37.025 18.156 10.399 1.00 0.00 N ATOM 0 H GLN A 27 -36.255 20.011 11.075 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.669 21.728 11.506 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.387 19.864 12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.111 19.298 11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.741 19.165 13.189 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -38.051 18.050 13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -37.316 19.108 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.686 17.542 9.658 1.00 0.00 H new ATOM 408 N GLY A 28 -37.881 22.435 13.849 1.00 0.00 N ATOM 409 CA GLY A 28 -37.223 23.023 15.063 1.00 0.00 C ATOM 410 C GLY A 28 -35.897 23.719 14.700 1.00 0.00 C ATOM 411 O GLY A 28 -35.896 24.893 14.394 1.00 0.00 O ATOM 0 H GLY A 28 -38.843 22.732 13.685 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -37.896 23.740 15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -37.035 22.237 15.794 1.00 0.00 H new ATOM 415 N LYS A 29 -34.822 22.969 14.749 1.00 0.00 N ATOM 416 CA LYS A 29 -33.453 23.496 14.423 1.00 0.00 C ATOM 417 C LYS A 29 -33.515 24.390 13.183 1.00 0.00 C ATOM 418 O LYS A 29 -33.073 25.523 13.205 1.00 0.00 O ATOM 419 CB LYS A 29 -32.508 22.299 14.175 1.00 0.00 C ATOM 420 CG LYS A 29 -31.043 22.773 13.951 1.00 0.00 C ATOM 421 CD LYS A 29 -30.039 21.684 14.432 1.00 0.00 C ATOM 422 CE LYS A 29 -29.422 20.939 13.247 1.00 0.00 C ATOM 423 NZ LYS A 29 -29.013 19.580 13.692 1.00 0.00 N ATOM 0 H LYS A 29 -34.835 21.983 15.009 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.078 24.093 15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.547 21.620 15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.848 21.738 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -30.880 22.985 12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -30.868 23.702 14.493 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -29.250 22.149 15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.551 20.976 15.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -30.141 20.868 12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.560 21.486 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -28.592 19.065 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -28.314 19.661 14.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.846 19.062 14.037 1.00 0.00 H new ATOM 437 N TRP A 30 -34.073 23.855 12.126 1.00 0.00 N ATOM 438 CA TRP A 30 -34.179 24.663 10.873 1.00 0.00 C ATOM 439 C TRP A 30 -35.646 25.078 10.654 1.00 0.00 C ATOM 440 O TRP A 30 -36.116 25.093 9.531 1.00 0.00 O ATOM 441 CB TRP A 30 -33.761 23.858 9.658 1.00 0.00 C ATOM 442 CG TRP A 30 -32.325 23.381 9.637 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.730 22.457 10.430 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.353 23.772 8.783 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.481 22.256 10.124 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.215 23.046 9.121 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.337 24.674 7.745 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.044 23.239 8.402 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.179 24.867 7.035 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.031 24.155 7.356 1.00 0.00 C ATOM 0 H TRP A 30 -34.454 22.910 12.075 1.00 0.00 H new ATOM 0 HA TRP A 30 -33.526 25.528 10.986 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.413 22.988 9.582 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -33.934 24.464 8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.239 21.942 11.231 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.837 21.609 10.579 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.229 25.226 7.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.152 22.684 8.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.160 25.577 6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.124 24.313 6.791 1.00 0.00 H new ATOM 461 N ALA A 31 -36.332 25.411 11.714 1.00 0.00 N ATOM 462 CA ALA A 31 -37.766 25.827 11.621 1.00 0.00 C ATOM 463 C ALA A 31 -37.958 27.056 10.738 1.00 0.00 C ATOM 464 O ALA A 31 -38.123 28.171 11.199 1.00 0.00 O ATOM 465 CB ALA A 31 -38.291 26.115 13.041 1.00 0.00 C ATOM 0 H ALA A 31 -35.953 25.413 12.661 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.326 25.013 11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -39.336 26.420 12.988 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.206 25.215 13.650 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -37.703 26.915 13.491 1.00 0.00 H new ATOM 471 N GLY A 32 -37.927 26.778 9.467 1.00 0.00 N ATOM 472 CA GLY A 32 -38.097 27.858 8.455 1.00 0.00 C ATOM 473 C GLY A 32 -36.825 27.965 7.644 1.00 0.00 C ATOM 474 O GLY A 32 -36.803 28.527 6.571 1.00 0.00 O ATOM 0 H GLY A 32 -37.790 25.844 9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -38.943 27.637 7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -38.313 28.806 8.947 1.00 0.00 H new ATOM 478 N LYS A 33 -35.784 27.396 8.183 1.00 0.00 N ATOM 479 CA LYS A 33 -34.471 27.426 7.483 1.00 0.00 C ATOM 480 C LYS A 33 -34.494 26.276 6.456 1.00 0.00 C ATOM 481 O LYS A 33 -33.536 26.076 5.738 1.00 0.00 O ATOM 482 CB LYS A 33 -33.349 27.241 8.535 1.00 0.00 C ATOM 483 CG LYS A 33 -33.280 28.490 9.459 1.00 0.00 C ATOM 484 CD LYS A 33 -34.029 28.208 10.785 1.00 0.00 C ATOM 485 CE LYS A 33 -34.902 29.398 11.188 1.00 0.00 C ATOM 486 NZ LYS A 33 -35.714 29.017 12.378 1.00 0.00 N ATOM 0 H LYS A 33 -35.786 26.910 9.080 1.00 0.00 H new ATOM 0 HA LYS A 33 -34.287 28.369 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -33.540 26.348 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -32.391 27.093 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -32.240 28.743 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -33.724 29.350 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -34.650 27.319 10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -33.309 27.997 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -34.279 30.263 11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -35.554 29.685 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -35.716 29.800 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -36.690 28.814 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -35.304 28.171 12.822 1.00 0.00 H new ATOM 500 N ARG A 34 -35.598 25.556 6.437 1.00 0.00 N ATOM 501 CA ARG A 34 -35.835 24.400 5.502 1.00 0.00 C ATOM 502 C ARG A 34 -35.061 24.628 4.196 1.00 0.00 C ATOM 503 O ARG A 34 -34.278 23.805 3.765 1.00 0.00 O ATOM 504 CB ARG A 34 -37.365 24.310 5.240 1.00 0.00 C ATOM 505 CG ARG A 34 -37.717 23.402 4.022 1.00 0.00 C ATOM 506 CD ARG A 34 -37.350 21.940 4.332 1.00 0.00 C ATOM 507 NE ARG A 34 -38.438 21.046 3.835 1.00 0.00 N ATOM 508 CZ ARG A 34 -39.175 20.383 4.686 1.00 0.00 C ATOM 509 NH1 ARG A 34 -38.688 19.320 5.259 1.00 0.00 N ATOM 510 NH2 ARG A 34 -40.377 20.817 4.932 1.00 0.00 N ATOM 0 H ARG A 34 -36.382 25.734 7.064 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.483 23.464 5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -37.859 23.923 6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -37.759 25.311 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -38.781 23.479 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -37.178 23.741 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.404 21.681 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.214 21.806 5.405 1.00 0.00 H new ATOM 0 HE ARG A 34 -38.605 20.953 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -37.740 19.013 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -39.255 18.795 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -40.722 21.655 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -40.974 20.319 5.592 1.00 0.00 H new ATOM 524 N GLY A 35 -35.344 25.776 3.624 1.00 0.00 N ATOM 525 CA GLY A 35 -34.731 26.263 2.340 1.00 0.00 C ATOM 526 C GLY A 35 -33.317 25.740 2.116 1.00 0.00 C ATOM 527 O GLY A 35 -32.942 25.423 1.005 1.00 0.00 O ATOM 0 H GLY A 35 -36.016 26.434 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.361 25.958 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -34.712 27.353 2.344 1.00 0.00 H new ATOM 531 N LYS A 36 -32.585 25.688 3.194 1.00 0.00 N ATOM 532 CA LYS A 36 -31.191 25.198 3.148 1.00 0.00 C ATOM 533 C LYS A 36 -30.989 24.001 4.092 1.00 0.00 C ATOM 534 O LYS A 36 -29.930 23.410 3.996 1.00 0.00 O ATOM 535 CB LYS A 36 -30.250 26.385 3.512 1.00 0.00 C ATOM 536 CG LYS A 36 -28.952 26.285 2.683 1.00 0.00 C ATOM 537 CD LYS A 36 -29.217 26.803 1.258 1.00 0.00 C ATOM 538 CE LYS A 36 -27.940 26.689 0.424 1.00 0.00 C ATOM 539 NZ LYS A 36 -28.242 27.089 -0.976 1.00 0.00 N ATOM 0 H LYS A 36 -32.906 25.971 4.120 1.00 0.00 H new ATOM 0 HA LYS A 36 -30.954 24.839 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -30.749 27.333 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.017 26.365 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -28.161 26.869 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -28.608 25.251 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.018 26.228 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.549 27.841 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -27.161 27.328 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -27.562 25.667 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.379 27.015 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.974 26.461 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -28.585 28.071 -0.990 1.00 0.00 H new ATOM 553 N CYS A 37 -31.938 23.650 4.951 1.00 0.00 N ATOM 554 CA CYS A 37 -31.739 22.462 5.875 1.00 0.00 C ATOM 555 C CYS A 37 -31.266 21.345 4.988 1.00 0.00 C ATOM 556 O CYS A 37 -30.440 20.522 5.322 1.00 0.00 O ATOM 557 CB CYS A 37 -33.059 21.967 6.542 1.00 0.00 C ATOM 558 SG CYS A 37 -34.341 21.395 5.396 1.00 0.00 S ATOM 0 H CYS A 37 -32.833 24.129 5.052 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.054 22.750 6.672 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.818 21.153 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.469 22.778 7.144 1.00 0.00 H new ATOM 563 N ALA A 38 -31.853 21.392 3.828 1.00 0.00 N ATOM 564 CA ALA A 38 -31.520 20.380 2.828 1.00 0.00 C ATOM 565 C ALA A 38 -30.172 20.635 2.174 1.00 0.00 C ATOM 566 O ALA A 38 -29.202 20.047 2.612 1.00 0.00 O ATOM 567 CB ALA A 38 -32.678 20.388 1.826 1.00 0.00 C ATOM 0 H ALA A 38 -32.543 22.087 3.542 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.410 19.396 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.490 19.649 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.607 20.144 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.762 21.377 1.375 1.00 0.00 H new ATOM 573 N ALA A 39 -30.140 21.465 1.162 1.00 0.00 N ATOM 574 CA ALA A 39 -28.851 21.778 0.458 1.00 0.00 C ATOM 575 C ALA A 39 -27.647 21.731 1.410 1.00 0.00 C ATOM 576 O ALA A 39 -26.711 20.981 1.223 1.00 0.00 O ATOM 577 CB ALA A 39 -28.950 23.168 -0.162 1.00 0.00 C ATOM 0 H ALA A 39 -30.958 21.946 0.787 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.694 21.021 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.018 23.404 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.774 23.190 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.129 23.904 0.622 1.00 0.00 H new ATOM 583 N HIS A 40 -27.745 22.561 2.414 1.00 0.00 N ATOM 584 CA HIS A 40 -26.676 22.663 3.444 1.00 0.00 C ATOM 585 C HIS A 40 -26.199 21.309 3.929 1.00 0.00 C ATOM 586 O HIS A 40 -25.010 21.025 3.945 1.00 0.00 O ATOM 587 CB HIS A 40 -27.180 23.433 4.674 1.00 0.00 C ATOM 588 CG HIS A 40 -25.961 23.835 5.554 1.00 0.00 C ATOM 589 ND1 HIS A 40 -24.840 23.174 5.498 1.00 0.00 N ATOM 590 CD2 HIS A 40 -25.837 24.856 6.477 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.102 23.795 6.360 1.00 0.00 C ATOM 592 NE2 HIS A 40 -24.631 24.816 6.986 1.00 0.00 N ATOM 0 H HIS A 40 -28.538 23.184 2.564 1.00 0.00 H new ATOM 0 HA HIS A 40 -25.850 23.183 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -27.729 24.322 4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -27.871 22.816 5.248 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -24.603 22.368 4.919 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.607 25.568 6.736 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -23.087 23.483 6.556 1.00 0.00 H new ATOM 600 N CYS A 41 -27.141 20.504 4.316 1.00 0.00 N ATOM 601 CA CYS A 41 -26.763 19.170 4.819 1.00 0.00 C ATOM 602 C CYS A 41 -26.268 18.272 3.703 1.00 0.00 C ATOM 603 O CYS A 41 -25.251 17.620 3.856 1.00 0.00 O ATOM 604 CB CYS A 41 -27.994 18.635 5.495 1.00 0.00 C ATOM 605 SG CYS A 41 -28.521 19.494 7.001 1.00 0.00 S ATOM 0 H CYS A 41 -28.140 20.710 4.305 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.928 19.219 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.816 18.663 4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.821 17.587 5.741 1.00 0.00 H new ATOM 610 N ILE A 42 -26.956 18.244 2.590 1.00 0.00 N ATOM 611 CA ILE A 42 -26.466 17.352 1.499 1.00 0.00 C ATOM 612 C ILE A 42 -25.039 17.728 1.123 1.00 0.00 C ATOM 613 O ILE A 42 -24.197 16.865 0.975 1.00 0.00 O ATOM 614 CB ILE A 42 -27.464 17.460 0.268 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.625 16.035 -0.356 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.959 18.451 -0.813 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.276 16.075 -1.766 1.00 0.00 C ATOM 0 H ILE A 42 -27.803 18.778 2.393 1.00 0.00 H new ATOM 0 HA ILE A 42 -26.444 16.314 1.830 1.00 0.00 H new ATOM 0 HB ILE A 42 -28.419 17.842 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.647 15.559 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -28.234 15.419 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -27.675 18.490 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -26.854 19.444 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.993 18.116 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.365 15.061 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.266 16.525 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -27.654 16.667 -2.437 1.00 0.00 H new ATOM 629 N ILE A 43 -24.808 19.009 0.988 1.00 0.00 N ATOM 630 CA ILE A 43 -23.462 19.525 0.625 1.00 0.00 C ATOM 631 C ILE A 43 -22.404 18.802 1.432 1.00 0.00 C ATOM 632 O ILE A 43 -21.283 18.638 0.995 1.00 0.00 O ATOM 633 CB ILE A 43 -23.399 21.041 0.911 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.203 21.790 -0.166 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.938 21.550 0.836 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.546 23.183 0.387 1.00 0.00 C ATOM 0 H ILE A 43 -25.516 19.732 1.118 1.00 0.00 H new ATOM 0 HA ILE A 43 -23.279 19.352 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.804 21.219 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.623 21.876 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -25.113 21.243 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.915 22.620 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -21.332 21.026 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.538 21.362 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.117 23.739 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -25.138 23.078 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.626 23.721 0.614 1.00 0.00 H new ATOM 648 N GLN A 44 -22.782 18.360 2.596 1.00 0.00 N ATOM 649 CA GLN A 44 -21.749 17.665 3.397 1.00 0.00 C ATOM 650 C GLN A 44 -21.421 16.277 2.887 1.00 0.00 C ATOM 651 O GLN A 44 -20.254 15.952 2.827 1.00 0.00 O ATOM 652 CB GLN A 44 -22.223 17.597 4.874 1.00 0.00 C ATOM 653 CG GLN A 44 -21.251 18.423 5.763 1.00 0.00 C ATOM 654 CD GLN A 44 -20.974 19.802 5.136 1.00 0.00 C ATOM 655 OE1 GLN A 44 -19.918 20.376 5.301 1.00 0.00 O ATOM 656 NE2 GLN A 44 -21.884 20.372 4.400 1.00 0.00 N ATOM 0 H GLN A 44 -23.711 18.443 3.009 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.827 18.240 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.236 17.989 4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -22.252 16.561 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.680 18.550 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.314 17.880 5.887 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.780 19.909 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -21.701 21.282 3.977 1.00 0.00 H new ATOM 665 N LYS A 45 -22.400 15.494 2.514 1.00 0.00 N ATOM 666 CA LYS A 45 -22.051 14.126 2.022 1.00 0.00 C ATOM 667 C LYS A 45 -21.194 14.218 0.773 1.00 0.00 C ATOM 668 O LYS A 45 -20.470 13.288 0.485 1.00 0.00 O ATOM 669 CB LYS A 45 -23.362 13.332 1.757 1.00 0.00 C ATOM 670 CG LYS A 45 -24.296 14.025 0.741 1.00 0.00 C ATOM 671 CD LYS A 45 -25.133 12.977 -0.039 1.00 0.00 C ATOM 672 CE LYS A 45 -24.649 12.886 -1.502 1.00 0.00 C ATOM 673 NZ LYS A 45 -23.437 12.023 -1.593 1.00 0.00 N ATOM 0 H LYS A 45 -23.392 15.729 2.526 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.469 13.597 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.109 12.338 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.895 13.198 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.961 14.714 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.706 14.619 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.047 12.002 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.187 13.252 -0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.442 12.479 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.423 13.883 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.640 12.581 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.198 11.660 -0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.626 11.225 -2.233 1.00 0.00 H new ATOM 687 N ASN A 46 -21.279 15.305 0.050 1.00 0.00 N ATOM 688 CA ASN A 46 -20.416 15.404 -1.173 1.00 0.00 C ATOM 689 C ASN A 46 -19.137 16.086 -0.683 1.00 0.00 C ATOM 690 O ASN A 46 -18.091 15.474 -0.741 1.00 0.00 O ATOM 691 CB ASN A 46 -21.086 16.258 -2.298 1.00 0.00 C ATOM 692 CG ASN A 46 -22.075 17.248 -1.753 1.00 0.00 C ATOM 693 OD1 ASN A 46 -21.792 18.422 -1.671 1.00 0.00 O ATOM 694 ND2 ASN A 46 -23.238 16.825 -1.368 1.00 0.00 N ATOM 0 H ASN A 46 -21.884 16.104 0.240 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.238 14.423 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -20.314 16.789 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.590 15.596 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -23.921 17.483 -0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.470 15.834 -1.440 1.00 0.00 H new ATOM 701 N ASN A 47 -19.245 17.314 -0.219 1.00 0.00 N ATOM 702 CA ASN A 47 -18.039 18.072 0.293 1.00 0.00 C ATOM 703 C ASN A 47 -17.004 17.140 0.958 1.00 0.00 C ATOM 704 O ASN A 47 -15.828 17.189 0.653 1.00 0.00 O ATOM 705 CB ASN A 47 -18.524 19.154 1.308 1.00 0.00 C ATOM 706 CG ASN A 47 -17.336 19.757 2.069 1.00 0.00 C ATOM 707 OD1 ASN A 47 -16.417 20.287 1.482 1.00 0.00 O ATOM 708 ND2 ASN A 47 -17.294 19.716 3.370 1.00 0.00 N ATOM 0 H ASN A 47 -20.122 17.832 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.540 18.542 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -19.060 19.942 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -19.226 18.709 2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.502 20.123 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -18.053 19.277 3.891 1.00 0.00 H new ATOM 715 N CYS A 48 -17.499 16.322 1.857 1.00 0.00 N ATOM 716 CA CYS A 48 -16.633 15.336 2.605 1.00 0.00 C ATOM 717 C CYS A 48 -15.669 14.607 1.658 1.00 0.00 C ATOM 718 O CYS A 48 -14.480 14.500 1.891 1.00 0.00 O ATOM 719 CB CYS A 48 -17.523 14.289 3.308 1.00 0.00 C ATOM 720 SG CYS A 48 -17.075 13.726 4.974 1.00 0.00 S ATOM 0 H CYS A 48 -18.486 16.291 2.113 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.050 15.894 3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.532 14.697 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.567 13.410 2.665 1.00 0.00 H new ATOM 725 N LYS A 49 -16.231 14.112 0.585 1.00 0.00 N ATOM 726 CA LYS A 49 -15.401 13.370 -0.430 1.00 0.00 C ATOM 727 C LYS A 49 -14.221 14.184 -0.975 1.00 0.00 C ATOM 728 O LYS A 49 -13.359 13.646 -1.638 1.00 0.00 O ATOM 729 CB LYS A 49 -16.295 12.938 -1.619 1.00 0.00 C ATOM 730 CG LYS A 49 -16.970 11.598 -1.289 1.00 0.00 C ATOM 731 CD LYS A 49 -18.064 11.260 -2.334 1.00 0.00 C ATOM 732 CE LYS A 49 -17.495 11.166 -3.776 1.00 0.00 C ATOM 733 NZ LYS A 49 -16.367 10.191 -3.853 1.00 0.00 N ATOM 0 H LYS A 49 -17.224 14.185 0.362 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.985 12.507 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.050 13.699 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.695 12.842 -2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.223 10.805 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.413 11.644 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -18.535 10.313 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.842 12.023 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.286 10.864 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.151 12.149 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.087 10.062 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.558 10.553 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.670 9.278 -3.457 1.00 0.00 H new ATOM 747 N GLY A 50 -14.212 15.455 -0.690 1.00 0.00 N ATOM 748 CA GLY A 50 -13.102 16.347 -1.164 1.00 0.00 C ATOM 749 C GLY A 50 -12.267 16.847 0.022 1.00 0.00 C ATOM 750 O GLY A 50 -11.472 17.755 -0.119 1.00 0.00 O ATOM 0 H GLY A 50 -14.932 15.926 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.464 15.804 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.517 17.196 -1.707 1.00 0.00 H new ATOM 754 N LYS A 51 -12.474 16.229 1.158 1.00 0.00 N ATOM 755 CA LYS A 51 -11.729 16.610 2.401 1.00 0.00 C ATOM 756 C LYS A 51 -10.606 15.593 2.633 1.00 0.00 C ATOM 757 O LYS A 51 -9.445 15.932 2.504 1.00 0.00 O ATOM 758 CB LYS A 51 -12.749 16.640 3.622 1.00 0.00 C ATOM 759 CG LYS A 51 -12.159 16.091 4.982 1.00 0.00 C ATOM 760 CD LYS A 51 -12.922 16.727 6.187 1.00 0.00 C ATOM 761 CE LYS A 51 -12.097 16.561 7.493 1.00 0.00 C ATOM 762 NZ LYS A 51 -12.695 17.354 8.614 1.00 0.00 N ATOM 0 H LYS A 51 -13.138 15.464 1.280 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.283 17.600 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.084 17.666 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.629 16.053 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.249 15.005 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.097 16.325 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.103 17.785 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.897 16.252 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.057 15.508 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.070 16.885 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.124 17.225 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.710 18.362 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.666 17.027 8.791 1.00 0.00 H new ATOM 776 N CYS A 52 -10.973 14.384 2.968 1.00 0.00 N ATOM 777 CA CYS A 52 -9.936 13.337 3.216 1.00 0.00 C ATOM 778 C CYS A 52 -9.747 12.350 2.051 1.00 0.00 C ATOM 779 O CYS A 52 -8.779 11.608 2.052 1.00 0.00 O ATOM 780 CB CYS A 52 -10.311 12.544 4.452 1.00 0.00 C ATOM 781 SG CYS A 52 -9.947 13.070 6.147 1.00 0.00 S ATOM 0 H CYS A 52 -11.939 14.077 3.080 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.994 13.871 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.390 12.399 4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.852 11.562 4.334 1.00 0.00 H new ATOM 786 N LYS A 53 -10.634 12.351 1.087 1.00 0.00 N ATOM 787 CA LYS A 53 -10.463 11.388 -0.047 1.00 0.00 C ATOM 788 C LYS A 53 -9.756 12.112 -1.171 1.00 0.00 C ATOM 789 O LYS A 53 -9.902 13.306 -1.341 1.00 0.00 O ATOM 790 CB LYS A 53 -11.845 10.884 -0.517 1.00 0.00 C ATOM 791 CG LYS A 53 -12.267 9.716 0.403 1.00 0.00 C ATOM 792 CD LYS A 53 -13.152 8.683 -0.340 1.00 0.00 C ATOM 793 CE LYS A 53 -14.468 8.560 0.427 1.00 0.00 C ATOM 794 NZ LYS A 53 -15.306 7.450 -0.087 1.00 0.00 N ATOM 0 H LYS A 53 -11.450 12.960 1.034 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.876 10.525 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.579 11.688 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.797 10.553 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.377 9.219 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.811 10.109 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.336 9.004 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.649 7.717 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.258 8.397 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.021 9.497 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.271 7.796 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.899 7.090 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.337 6.684 0.616 1.00 0.00 H new ATOM 808 N LYS A 54 -9.000 11.357 -1.920 1.00 0.00 N ATOM 809 CA LYS A 54 -8.236 11.954 -3.056 1.00 0.00 C ATOM 810 C LYS A 54 -8.744 11.514 -4.440 1.00 0.00 C ATOM 811 O LYS A 54 -8.914 10.339 -4.701 1.00 0.00 O ATOM 812 CB LYS A 54 -6.766 11.555 -2.822 1.00 0.00 C ATOM 813 CG LYS A 54 -6.624 10.003 -2.744 1.00 0.00 C ATOM 814 CD LYS A 54 -6.168 9.545 -1.325 1.00 0.00 C ATOM 815 CE LYS A 54 -4.885 8.709 -1.452 1.00 0.00 C ATOM 816 NZ LYS A 54 -5.180 7.447 -2.187 1.00 0.00 N ATOM 0 H LYS A 54 -8.877 10.352 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.365 13.036 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.145 11.942 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.404 12.006 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.578 9.536 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.902 9.664 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.990 10.413 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.953 8.958 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.119 9.278 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.488 8.481 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.438 6.747 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.100 7.073 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.208 7.639 -3.209 1.00 0.00 H new ATOM 830 N GLU A 55 -8.972 12.479 -5.293 1.00 0.00 N ATOM 831 CA GLU A 55 -9.471 12.187 -6.674 1.00 0.00 C ATOM 832 C GLU A 55 -8.475 12.718 -7.721 1.00 0.00 C ATOM 833 O GLU A 55 -8.382 12.076 -8.756 1.00 0.00 O ATOM 834 CB GLU A 55 -10.861 12.861 -6.840 1.00 0.00 C ATOM 835 CG GLU A 55 -11.851 11.881 -7.511 1.00 0.00 C ATOM 836 CD GLU A 55 -13.298 12.262 -7.138 1.00 0.00 C ATOM 837 OE1 GLU A 55 -13.715 11.835 -6.072 1.00 0.00 O ATOM 838 OE2 GLU A 55 -13.906 12.954 -7.938 1.00 0.00 O ATOM 839 OXT GLU A 55 -7.865 13.734 -7.426 1.00 0.00 O ATOM 0 H GLU A 55 -8.833 13.469 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.566 11.111 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.244 13.167 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.766 13.764 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.726 11.908 -8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.640 10.861 -7.191 1.00 0.00 H new TER 846 GLU A 55