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 40 HIS : no HD1:sc= -1.52! C(o=-3.2!,f=-14!) USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -1.69! F(o=-5,f=-3.2!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.156 K(o=2.5,f=-10!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -156:sc= 2.3 (180deg=0.579) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -139:sc=-0.000626 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.0261 F(o=-2.1!,f=-0.026) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0345) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.864 F(o=-3.9!,f=-0.86) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc=-0.00633 (180deg=-0.253) USER MOD Single : A 33 LYS NZ :NH3+ -125:sc= 0.155 (180deg=-1.33) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00408 X(o=-0.0041,f=-0.18) USER MOD Single : A 47 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.23) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -110:sc= -1.74 (180deg=-5.48!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.421 5.527 -13.638 1.00 0.00 N ATOM 2 CA ALA A 1 -10.431 6.801 -12.861 1.00 0.00 C ATOM 3 C ALA A 1 -9.309 6.754 -11.817 1.00 0.00 C ATOM 4 O ALA A 1 -8.460 7.618 -11.723 1.00 0.00 O ATOM 5 CB ALA A 1 -11.789 6.964 -12.156 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.179 5.548 -14.350 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.503 5.418 -14.114 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.574 4.726 -12.993 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.275 7.646 -13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.795 7.895 -11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.585 6.987 -12.900 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.950 6.125 -11.479 1.00 0.00 H new ATOM 13 N SER A 2 -9.345 5.720 -11.034 1.00 0.00 N ATOM 14 CA SER A 2 -8.329 5.506 -9.962 1.00 0.00 C ATOM 15 C SER A 2 -8.258 3.993 -9.741 1.00 0.00 C ATOM 16 O SER A 2 -8.834 3.235 -10.499 1.00 0.00 O ATOM 17 CB SER A 2 -8.789 6.226 -8.674 1.00 0.00 C ATOM 18 OG SER A 2 -8.776 7.618 -8.969 1.00 0.00 O ATOM 0 H SER A 2 -10.055 4.990 -11.090 1.00 0.00 H new ATOM 0 HA SER A 2 -7.351 5.904 -10.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.787 5.900 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.123 5.998 -7.842 1.00 0.00 H new ATOM 0 HG SER A 2 -8.420 8.112 -8.201 1.00 0.00 H new ATOM 24 N ALA A 3 -7.561 3.600 -8.708 1.00 0.00 N ATOM 25 CA ALA A 3 -7.427 2.149 -8.387 1.00 0.00 C ATOM 26 C ALA A 3 -8.449 1.937 -7.260 1.00 0.00 C ATOM 27 O ALA A 3 -9.421 2.667 -7.177 1.00 0.00 O ATOM 28 CB ALA A 3 -5.990 1.866 -7.902 1.00 0.00 C ATOM 0 H ALA A 3 -7.075 4.228 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.606 1.487 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.888 0.807 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.282 2.133 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.784 2.458 -7.010 1.00 0.00 H new ATOM 34 N THR A 4 -8.238 0.981 -6.403 1.00 0.00 N ATOM 35 CA THR A 4 -9.208 0.739 -5.293 1.00 0.00 C ATOM 36 C THR A 4 -9.043 1.773 -4.160 1.00 0.00 C ATOM 37 O THR A 4 -8.669 1.432 -3.055 1.00 0.00 O ATOM 38 CB THR A 4 -8.963 -0.696 -4.771 1.00 0.00 C ATOM 39 OG1 THR A 4 -7.557 -0.885 -4.911 1.00 0.00 O ATOM 40 CG2 THR A 4 -9.550 -1.743 -5.723 1.00 0.00 C ATOM 0 H THR A 4 -7.435 0.353 -6.420 1.00 0.00 H new ATOM 0 HA THR A 4 -10.229 0.846 -5.660 1.00 0.00 H new ATOM 0 HB THR A 4 -9.384 -0.802 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.314 -1.781 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.361 -2.741 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.625 -1.587 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.082 -1.647 -6.703 1.00 0.00 H new ATOM 48 N TRP A 5 -9.324 3.015 -4.462 1.00 0.00 N ATOM 49 CA TRP A 5 -9.202 4.098 -3.433 1.00 0.00 C ATOM 50 C TRP A 5 -10.591 4.715 -3.193 1.00 0.00 C ATOM 51 O TRP A 5 -11.549 3.981 -3.053 1.00 0.00 O ATOM 52 CB TRP A 5 -8.195 5.174 -3.935 1.00 0.00 C ATOM 53 CG TRP A 5 -6.821 4.528 -4.141 1.00 0.00 C ATOM 54 CD1 TRP A 5 -6.039 4.590 -5.267 1.00 0.00 C ATOM 55 CD2 TRP A 5 -6.116 3.757 -3.241 1.00 0.00 C ATOM 56 NE1 TRP A 5 -4.928 3.921 -5.119 1.00 0.00 N ATOM 57 CE2 TRP A 5 -4.948 3.411 -3.914 1.00 0.00 C ATOM 58 CE3 TRP A 5 -6.311 3.301 -1.933 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.992 2.621 -3.292 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -5.350 2.509 -1.311 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.188 2.168 -1.991 1.00 0.00 C ATOM 0 H TRP A 5 -9.635 3.329 -5.381 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.830 3.691 -2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.548 5.610 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.123 5.986 -3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.309 5.126 -6.165 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.186 3.816 -5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -7.214 3.565 -1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -3.089 2.356 -3.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -5.508 2.160 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.440 1.554 -1.512 1.00 0.00 H new ATOM 72 N GLY A 6 -10.682 6.020 -3.157 1.00 0.00 N ATOM 73 CA GLY A 6 -11.986 6.722 -2.926 1.00 0.00 C ATOM 74 C GLY A 6 -12.812 6.025 -1.845 1.00 0.00 C ATOM 75 O GLY A 6 -12.472 6.136 -0.681 1.00 0.00 O ATOM 0 H GLY A 6 -9.887 6.646 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.798 7.755 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.554 6.753 -3.856 1.00 0.00 H new ATOM 79 N ALA A 7 -13.855 5.340 -2.261 1.00 0.00 N ATOM 80 CA ALA A 7 -14.748 4.605 -1.296 1.00 0.00 C ATOM 81 C ALA A 7 -13.934 3.963 -0.176 1.00 0.00 C ATOM 82 O ALA A 7 -14.355 3.930 0.958 1.00 0.00 O ATOM 83 CB ALA A 7 -15.526 3.500 -2.029 1.00 0.00 C ATOM 0 H ALA A 7 -14.130 5.257 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.439 5.331 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.168 2.976 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -16.138 3.945 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.824 2.794 -2.473 1.00 0.00 H new ATOM 89 N ALA A 8 -12.792 3.472 -0.582 1.00 0.00 N ATOM 90 CA ALA A 8 -11.821 2.798 0.328 1.00 0.00 C ATOM 91 C ALA A 8 -11.779 3.381 1.751 1.00 0.00 C ATOM 92 O ALA A 8 -11.778 2.637 2.714 1.00 0.00 O ATOM 93 CB ALA A 8 -10.418 2.886 -0.304 1.00 0.00 C ATOM 0 H ALA A 8 -12.481 3.514 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.154 1.766 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.694 2.398 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.424 2.390 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.142 3.933 -0.433 1.00 0.00 H new ATOM 99 N TYR A 9 -11.725 4.688 1.848 1.00 0.00 N ATOM 100 CA TYR A 9 -11.676 5.357 3.189 1.00 0.00 C ATOM 101 C TYR A 9 -13.008 5.982 3.689 1.00 0.00 C ATOM 102 O TYR A 9 -13.142 7.190 3.658 1.00 0.00 O ATOM 103 CB TYR A 9 -10.564 6.432 3.118 1.00 0.00 C ATOM 104 CG TYR A 9 -10.200 6.881 4.542 1.00 0.00 C ATOM 105 CD1 TYR A 9 -9.767 5.983 5.497 1.00 0.00 C ATOM 106 CD2 TYR A 9 -10.308 8.208 4.882 1.00 0.00 C ATOM 107 CE1 TYR A 9 -9.450 6.411 6.769 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.990 8.639 6.149 1.00 0.00 C ATOM 109 CZ TYR A 9 -9.559 7.745 7.106 1.00 0.00 C ATOM 110 OH TYR A 9 -9.240 8.156 8.384 1.00 0.00 O ATOM 0 H TYR A 9 -11.713 5.325 1.051 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.471 4.581 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.685 6.029 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.904 7.285 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.676 4.937 5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.647 8.921 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.114 5.697 7.507 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.079 9.687 6.396 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.369 9.125 8.458 1.00 0.00 H new HETATM 120 N HYP A 10 -13.960 5.192 4.138 1.00 0.00 N HETATM 121 CA HYP A 10 -15.248 5.669 4.745 1.00 0.00 C HETATM 122 C HYP A 10 -15.150 6.265 6.150 1.00 0.00 C HETATM 123 O HYP A 10 -15.843 7.202 6.485 1.00 0.00 O HETATM 124 CB HYP A 10 -16.208 4.478 4.758 1.00 0.00 C HETATM 125 CG HYP A 10 -15.247 3.287 4.832 1.00 0.00 C HETATM 126 CD HYP A 10 -13.961 3.700 4.117 1.00 0.00 C HETATM 127 OD1 HYP A 10 -15.864 2.293 4.029 1.00 0.00 O HETATM 0 HD23 HYP A 10 -13.940 3.321 3.095 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -13.083 3.299 4.624 1.00 0.00 H new HETATM 0 HG HYP A 10 -15.039 2.960 5.851 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -15.307 1.487 4.020 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -16.884 4.509 5.613 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -16.828 4.445 3.862 1.00 0.00 H new HETATM 0 HA HYP A 10 -15.594 6.500 4.130 1.00 0.00 H new ATOM 135 N ALA A 11 -14.297 5.679 6.930 1.00 0.00 N ATOM 136 CA ALA A 11 -14.055 6.112 8.340 1.00 0.00 C ATOM 137 C ALA A 11 -14.312 7.578 8.713 1.00 0.00 C ATOM 138 O ALA A 11 -15.076 7.882 9.606 1.00 0.00 O ATOM 139 CB ALA A 11 -12.621 5.780 8.668 1.00 0.00 C ATOM 0 H ALA A 11 -13.730 4.882 6.641 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.804 5.575 8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.403 6.081 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.463 4.707 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.959 6.312 7.985 1.00 0.00 H new ATOM 145 N CYS A 12 -13.646 8.426 7.975 1.00 0.00 N ATOM 146 CA CYS A 12 -13.730 9.909 8.176 1.00 0.00 C ATOM 147 C CYS A 12 -14.723 10.612 7.249 1.00 0.00 C ATOM 148 O CYS A 12 -14.711 11.813 7.073 1.00 0.00 O ATOM 149 CB CYS A 12 -12.331 10.421 7.966 1.00 0.00 C ATOM 150 SG CYS A 12 -11.949 12.184 7.827 1.00 0.00 S ATOM 0 H CYS A 12 -13.026 8.145 7.215 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.112 10.124 9.174 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.732 10.037 8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.960 9.949 7.056 1.00 0.00 H new ATOM 155 N GLU A 13 -15.567 9.815 6.693 1.00 0.00 N ATOM 156 CA GLU A 13 -16.617 10.289 5.762 1.00 0.00 C ATOM 157 C GLU A 13 -17.892 10.046 6.554 1.00 0.00 C ATOM 158 O GLU A 13 -18.694 10.935 6.747 1.00 0.00 O ATOM 159 CB GLU A 13 -16.565 9.436 4.466 1.00 0.00 C ATOM 160 CG GLU A 13 -17.780 9.723 3.566 1.00 0.00 C ATOM 161 CD GLU A 13 -17.884 11.232 3.343 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.003 11.732 2.668 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.838 11.794 3.869 1.00 0.00 O ATOM 0 H GLU A 13 -15.576 8.807 6.850 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.520 11.327 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.646 9.652 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.542 8.377 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.673 9.207 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.691 9.347 4.031 1.00 0.00 H new ATOM 170 N ASN A 14 -18.037 8.823 6.998 1.00 0.00 N ATOM 171 CA ASN A 14 -19.220 8.380 7.804 1.00 0.00 C ATOM 172 C ASN A 14 -19.708 9.494 8.714 1.00 0.00 C ATOM 173 O ASN A 14 -20.877 9.809 8.745 1.00 0.00 O ATOM 174 CB ASN A 14 -18.805 7.135 8.615 1.00 0.00 C ATOM 175 CG ASN A 14 -18.918 5.927 7.681 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.784 6.101 6.397 1.00 0.00 O flip ATOM 177 ND2 ASN A 14 -19.132 4.811 8.100 1.00 0.00 N flip ATOM 0 H ASN A 14 -17.356 8.083 6.828 1.00 0.00 H new ATOM 0 HA ASN A 14 -20.050 8.130 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.786 7.240 8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.450 7.010 9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -19.240 4.654 9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.204 4.028 7.451 1.00 0.00 H new ATOM 184 N ASN A 15 -18.794 10.064 9.442 1.00 0.00 N ATOM 185 CA ASN A 15 -19.141 11.187 10.375 1.00 0.00 C ATOM 186 C ASN A 15 -19.989 12.208 9.634 1.00 0.00 C ATOM 187 O ASN A 15 -21.043 12.573 10.104 1.00 0.00 O ATOM 188 CB ASN A 15 -17.855 11.880 10.890 1.00 0.00 C ATOM 189 CG ASN A 15 -16.744 11.708 9.870 1.00 0.00 C ATOM 190 OD1 ASN A 15 -16.204 10.631 9.750 1.00 0.00 O ATOM 191 ND2 ASN A 15 -16.355 12.678 9.102 1.00 0.00 N ATOM 0 H ASN A 15 -17.808 9.803 9.436 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.691 10.782 11.224 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -18.044 12.940 11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.555 11.450 11.846 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.613 12.522 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.791 13.597 9.180 1.00 0.00 H new ATOM 198 N CYS A 16 -19.527 12.625 8.490 1.00 0.00 N ATOM 199 CA CYS A 16 -20.281 13.634 7.698 1.00 0.00 C ATOM 200 C CYS A 16 -21.449 13.008 6.948 1.00 0.00 C ATOM 201 O CYS A 16 -22.349 13.713 6.527 1.00 0.00 O ATOM 202 CB CYS A 16 -19.355 14.285 6.698 1.00 0.00 C ATOM 203 SG CYS A 16 -17.681 14.725 7.233 1.00 0.00 S ATOM 0 H CYS A 16 -18.654 12.308 8.067 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.677 14.372 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.265 13.614 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -19.839 15.194 6.340 1.00 0.00 H new ATOM 208 N ARG A 17 -21.412 11.708 6.795 1.00 0.00 N ATOM 209 CA ARG A 17 -22.546 11.060 6.067 1.00 0.00 C ATOM 210 C ARG A 17 -23.643 11.073 7.127 1.00 0.00 C ATOM 211 O ARG A 17 -24.653 11.728 6.949 1.00 0.00 O ATOM 212 CB ARG A 17 -22.171 9.611 5.660 1.00 0.00 C ATOM 213 CG ARG A 17 -23.459 8.844 5.246 1.00 0.00 C ATOM 214 CD ARG A 17 -23.172 7.810 4.144 1.00 0.00 C ATOM 215 NE ARG A 17 -22.908 8.541 2.866 1.00 0.00 N ATOM 216 CZ ARG A 17 -23.782 8.492 1.898 1.00 0.00 C ATOM 217 NH1 ARG A 17 -23.885 7.406 1.183 1.00 0.00 N ATOM 218 NH2 ARG A 17 -24.528 9.537 1.679 1.00 0.00 N ATOM 0 H ARG A 17 -20.675 11.086 7.128 1.00 0.00 H new ATOM 0 HA ARG A 17 -22.830 11.557 5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.461 9.625 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.682 9.102 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -23.880 8.341 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -24.208 9.553 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -22.312 7.197 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.020 7.136 4.027 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.047 9.076 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.286 6.605 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.565 7.358 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.422 10.370 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.218 9.523 0.928 1.00 0.00 H new ATOM 232 N LYS A 18 -23.403 10.350 8.189 1.00 0.00 N ATOM 233 CA LYS A 18 -24.379 10.274 9.317 1.00 0.00 C ATOM 234 C LYS A 18 -24.807 11.719 9.592 1.00 0.00 C ATOM 235 O LYS A 18 -25.969 12.055 9.493 1.00 0.00 O ATOM 236 CB LYS A 18 -23.684 9.671 10.551 1.00 0.00 C ATOM 237 CG LYS A 18 -23.342 8.190 10.294 1.00 0.00 C ATOM 238 CD LYS A 18 -22.979 7.523 11.640 1.00 0.00 C ATOM 239 CE LYS A 18 -22.241 6.194 11.398 1.00 0.00 C ATOM 240 NZ LYS A 18 -23.055 5.286 10.540 1.00 0.00 N ATOM 0 H LYS A 18 -22.556 9.799 8.325 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.239 9.647 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.775 10.229 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.333 9.757 11.422 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.190 7.680 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.508 8.111 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -22.352 8.193 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.884 7.343 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.280 6.388 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -22.032 5.710 12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.632 4.336 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.025 5.234 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.077 5.654 9.568 1.00 0.00 H new ATOM 254 N LYS A 19 -23.836 12.532 9.927 1.00 0.00 N ATOM 255 CA LYS A 19 -24.109 13.973 10.217 1.00 0.00 C ATOM 256 C LYS A 19 -25.043 14.563 9.159 1.00 0.00 C ATOM 257 O LYS A 19 -26.049 15.110 9.542 1.00 0.00 O ATOM 258 CB LYS A 19 -22.771 14.710 10.250 1.00 0.00 C ATOM 259 CG LYS A 19 -22.850 16.197 10.604 1.00 0.00 C ATOM 260 CD LYS A 19 -23.569 16.446 11.963 1.00 0.00 C ATOM 261 CE LYS A 19 -22.697 17.345 12.866 1.00 0.00 C ATOM 262 NZ LYS A 19 -22.536 18.700 12.262 1.00 0.00 N ATOM 0 H LYS A 19 -22.858 12.256 10.013 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.608 14.080 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.121 14.216 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.297 14.611 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.843 16.611 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.379 16.728 9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.536 16.919 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.763 15.496 12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.155 17.433 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.719 16.886 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.095 19.338 12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.932 18.634 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.469 19.073 11.993 1.00 0.00 H new ATOM 276 N TYR A 20 -24.757 14.472 7.881 1.00 0.00 N ATOM 277 CA TYR A 20 -25.684 15.053 6.844 1.00 0.00 C ATOM 278 C TYR A 20 -27.141 14.653 7.154 1.00 0.00 C ATOM 279 O TYR A 20 -28.073 15.434 7.084 1.00 0.00 O ATOM 280 CB TYR A 20 -25.227 14.521 5.436 1.00 0.00 C ATOM 281 CG TYR A 20 -26.397 14.149 4.503 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.286 15.109 4.076 1.00 0.00 C ATOM 283 CD2 TYR A 20 -26.570 12.850 4.068 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.327 14.790 3.233 1.00 0.00 C ATOM 285 CE2 TYR A 20 -27.614 12.531 3.222 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.497 13.495 2.797 1.00 0.00 C ATOM 287 OH TYR A 20 -29.524 13.145 1.945 1.00 0.00 O ATOM 0 H TYR A 20 -23.922 14.021 7.507 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.641 16.142 6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.615 15.282 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.594 13.645 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.165 16.130 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -25.885 12.080 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.014 15.559 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -27.738 11.511 2.890 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.476 12.186 1.751 1.00 0.00 H new ATOM 297 N ASP A 21 -27.270 13.412 7.517 1.00 0.00 N ATOM 298 CA ASP A 21 -28.595 12.813 7.853 1.00 0.00 C ATOM 299 C ASP A 21 -29.021 13.124 9.276 1.00 0.00 C ATOM 300 O ASP A 21 -30.184 13.011 9.607 1.00 0.00 O ATOM 301 CB ASP A 21 -28.474 11.326 7.664 1.00 0.00 C ATOM 302 CG ASP A 21 -29.058 10.899 6.310 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.272 10.917 6.199 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.243 10.575 5.459 1.00 0.00 O ATOM 0 H ASP A 21 -26.487 12.763 7.598 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.359 13.238 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.426 11.032 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -28.996 10.809 8.469 1.00 0.00 H new ATOM 309 N LEU A 22 -28.077 13.501 10.089 1.00 0.00 N ATOM 310 CA LEU A 22 -28.383 13.844 11.512 1.00 0.00 C ATOM 311 C LEU A 22 -28.273 15.367 11.649 1.00 0.00 C ATOM 312 O LEU A 22 -28.328 15.903 12.736 1.00 0.00 O ATOM 313 CB LEU A 22 -27.367 13.173 12.451 1.00 0.00 C ATOM 314 CG LEU A 22 -27.448 11.631 12.343 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.251 11.025 13.099 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.757 11.129 12.993 1.00 0.00 C ATOM 0 H LEU A 22 -27.094 13.588 9.830 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.380 13.495 11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.360 13.506 12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -27.558 13.480 13.479 1.00 0.00 H new ATOM 0 HG LEU A 22 -27.429 11.334 11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.292 9.938 13.033 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.322 11.381 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -26.291 11.327 14.146 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.809 10.043 12.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.776 11.418 14.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.611 11.571 12.480 1.00 0.00 H new ATOM 328 N CYS A 23 -28.129 16.015 10.527 1.00 0.00 N ATOM 329 CA CYS A 23 -28.008 17.493 10.482 1.00 0.00 C ATOM 330 C CYS A 23 -29.337 18.064 10.033 1.00 0.00 C ATOM 331 O CYS A 23 -29.806 18.971 10.686 1.00 0.00 O ATOM 332 CB CYS A 23 -26.874 17.859 9.491 1.00 0.00 C ATOM 333 SG CYS A 23 -26.875 19.456 8.633 1.00 0.00 S ATOM 0 H CYS A 23 -28.089 15.564 9.613 1.00 0.00 H new ATOM 0 HA CYS A 23 -27.762 17.907 11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -25.934 17.790 10.039 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.854 17.083 8.725 1.00 0.00 H new ATOM 338 N ILE A 24 -29.887 17.528 8.970 1.00 0.00 N ATOM 339 CA ILE A 24 -31.211 18.007 8.417 1.00 0.00 C ATOM 340 C ILE A 24 -32.361 18.304 9.430 1.00 0.00 C ATOM 341 O ILE A 24 -33.411 17.691 9.462 1.00 0.00 O ATOM 342 CB ILE A 24 -31.630 16.931 7.322 1.00 0.00 C ATOM 343 CG1 ILE A 24 -30.941 17.373 6.028 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.128 16.928 6.961 1.00 0.00 C ATOM 345 CD1 ILE A 24 -30.804 16.183 5.072 1.00 0.00 C ATOM 0 H ILE A 24 -29.470 16.760 8.445 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.056 19.006 8.011 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.367 15.951 7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.517 18.167 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -29.957 17.784 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.319 16.163 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -33.717 16.714 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.409 17.904 6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.313 16.508 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -30.209 15.402 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -31.793 15.791 4.835 1.00 0.00 H new ATOM 357 N ARG A 25 -32.172 19.289 10.260 1.00 0.00 N ATOM 358 CA ARG A 25 -33.212 19.649 11.261 1.00 0.00 C ATOM 359 C ARG A 25 -34.103 20.609 10.487 1.00 0.00 C ATOM 360 O ARG A 25 -34.268 21.760 10.848 1.00 0.00 O ATOM 361 CB ARG A 25 -32.577 20.376 12.455 1.00 0.00 C ATOM 362 CG ARG A 25 -31.681 19.517 13.385 1.00 0.00 C ATOM 363 CD ARG A 25 -32.113 18.050 13.502 1.00 0.00 C ATOM 364 NE ARG A 25 -31.525 17.326 12.345 1.00 0.00 N ATOM 365 CZ ARG A 25 -31.971 16.146 12.032 1.00 0.00 C ATOM 366 NH1 ARG A 25 -33.102 16.053 11.403 1.00 0.00 N ATOM 367 NH2 ARG A 25 -31.262 15.108 12.366 1.00 0.00 N ATOM 0 H ARG A 25 -31.332 19.867 10.288 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.740 18.785 11.666 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.979 21.204 12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.376 20.810 13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -30.656 19.553 13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -31.678 19.963 14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -31.766 17.620 14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -33.200 17.967 13.496 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.776 17.753 11.800 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -33.623 16.896 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -33.470 15.136 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -30.379 15.232 12.861 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.589 14.170 12.132 1.00 0.00 H new ATOM 381 N CYS A 26 -34.674 20.091 9.425 1.00 0.00 N ATOM 382 CA CYS A 26 -35.568 20.951 8.587 1.00 0.00 C ATOM 383 C CYS A 26 -36.742 21.474 9.408 1.00 0.00 C ATOM 384 O CYS A 26 -37.477 22.356 9.016 1.00 0.00 O ATOM 385 CB CYS A 26 -36.155 20.202 7.449 1.00 0.00 C ATOM 386 SG CYS A 26 -34.983 19.456 6.292 1.00 0.00 S ATOM 0 H CYS A 26 -34.563 19.128 9.107 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.941 21.764 8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.790 19.412 7.850 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.803 20.879 6.891 1.00 0.00 H new ATOM 391 N GLN A 27 -36.858 20.868 10.551 1.00 0.00 N ATOM 392 CA GLN A 27 -37.925 21.211 11.501 1.00 0.00 C ATOM 393 C GLN A 27 -37.291 21.933 12.685 1.00 0.00 C ATOM 394 O GLN A 27 -36.168 21.644 13.055 1.00 0.00 O ATOM 395 CB GLN A 27 -38.614 19.950 12.017 1.00 0.00 C ATOM 396 CG GLN A 27 -37.547 18.875 12.356 1.00 0.00 C ATOM 397 CD GLN A 27 -37.410 17.907 11.173 1.00 0.00 C ATOM 398 OE1 GLN A 27 -37.671 18.341 9.975 1.00 0.00 O flip ATOM 399 NE2 GLN A 27 -37.065 16.757 11.316 1.00 0.00 N flip ATOM 0 H GLN A 27 -36.233 20.127 10.868 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.664 21.837 11.001 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.204 20.183 12.903 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.304 19.567 11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.589 19.350 12.565 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.835 18.330 13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -36.856 16.399 12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -36.983 16.145 10.504 1.00 0.00 H new ATOM 408 N GLY A 28 -38.017 22.847 13.256 1.00 0.00 N ATOM 409 CA GLY A 28 -37.453 23.582 14.418 1.00 0.00 C ATOM 410 C GLY A 28 -36.248 24.422 13.981 1.00 0.00 C ATOM 411 O GLY A 28 -36.394 25.562 13.586 1.00 0.00 O ATOM 0 H GLY A 28 -38.960 23.115 12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -38.216 24.227 14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -37.152 22.876 15.192 1.00 0.00 H new ATOM 415 N LYS A 29 -35.095 23.810 14.064 1.00 0.00 N ATOM 416 CA LYS A 29 -33.811 24.480 13.683 1.00 0.00 C ATOM 417 C LYS A 29 -33.948 25.151 12.316 1.00 0.00 C ATOM 418 O LYS A 29 -33.542 26.280 12.139 1.00 0.00 O ATOM 419 CB LYS A 29 -32.704 23.428 13.645 1.00 0.00 C ATOM 420 CG LYS A 29 -31.313 24.084 13.502 1.00 0.00 C ATOM 421 CD LYS A 29 -30.231 22.978 13.342 1.00 0.00 C ATOM 422 CE LYS A 29 -29.159 23.086 14.435 1.00 0.00 C ATOM 423 NZ LYS A 29 -28.459 24.393 14.337 1.00 0.00 N ATOM 0 H LYS A 29 -34.986 22.849 14.388 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.566 25.249 14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.735 22.831 14.556 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.875 22.747 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.300 24.748 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -31.096 24.696 14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.702 21.996 13.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.763 23.063 12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.619 22.984 15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.441 22.272 14.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -27.522 24.320 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -28.346 24.652 13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.018 25.123 14.823 1.00 0.00 H new ATOM 437 N TRP A 30 -34.513 24.448 11.371 1.00 0.00 N ATOM 438 CA TRP A 30 -34.679 25.056 10.015 1.00 0.00 C ATOM 439 C TRP A 30 -36.173 25.296 9.755 1.00 0.00 C ATOM 440 O TRP A 30 -36.666 25.020 8.680 1.00 0.00 O ATOM 441 CB TRP A 30 -34.130 24.112 8.946 1.00 0.00 C ATOM 442 CG TRP A 30 -32.610 24.004 8.963 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.830 23.478 9.941 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.735 24.402 8.001 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.555 23.528 9.648 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.461 24.088 8.469 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.909 24.997 6.770 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.352 24.384 7.677 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.814 25.291 5.987 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.535 24.988 6.432 1.00 0.00 C ATOM 0 H TRP A 30 -34.862 23.495 11.474 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.133 25.999 9.974 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.560 23.121 9.091 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.452 24.459 7.964 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.218 23.064 10.860 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.784 23.195 10.227 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.903 25.233 6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.357 24.147 8.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.952 25.759 5.023 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.680 25.220 5.814 1.00 0.00 H new ATOM 461 N ALA A 31 -36.852 25.803 10.750 1.00 0.00 N ATOM 462 CA ALA A 31 -38.318 26.106 10.676 1.00 0.00 C ATOM 463 C ALA A 31 -38.708 26.969 9.474 1.00 0.00 C ATOM 464 O ALA A 31 -38.963 28.154 9.594 1.00 0.00 O ATOM 465 CB ALA A 31 -38.728 26.803 11.985 1.00 0.00 C ATOM 0 H ALA A 31 -36.433 26.030 11.652 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.847 25.162 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -39.793 27.034 11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.523 26.143 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -38.159 27.726 12.100 1.00 0.00 H new ATOM 471 N GLY A 32 -38.725 26.320 8.344 1.00 0.00 N ATOM 472 CA GLY A 32 -39.092 27.025 7.083 1.00 0.00 C ATOM 473 C GLY A 32 -37.877 27.313 6.231 1.00 0.00 C ATOM 474 O GLY A 32 -37.973 27.882 5.165 1.00 0.00 O ATOM 0 H GLY A 32 -38.500 25.331 8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -39.797 26.416 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.599 27.960 7.323 1.00 0.00 H new ATOM 478 N LYS A 33 -36.757 26.894 6.739 1.00 0.00 N ATOM 479 CA LYS A 33 -35.464 27.087 6.032 1.00 0.00 C ATOM 480 C LYS A 33 -35.248 25.808 5.206 1.00 0.00 C ATOM 481 O LYS A 33 -34.217 25.642 4.581 1.00 0.00 O ATOM 482 CB LYS A 33 -34.345 27.282 7.092 1.00 0.00 C ATOM 483 CG LYS A 33 -34.474 28.668 7.772 1.00 0.00 C ATOM 484 CD LYS A 33 -35.707 28.706 8.715 1.00 0.00 C ATOM 485 CE LYS A 33 -35.337 29.322 10.065 1.00 0.00 C ATOM 486 NZ LYS A 33 -36.519 29.278 10.970 1.00 0.00 N ATOM 0 H LYS A 33 -36.681 26.414 7.636 1.00 0.00 H new ATOM 0 HA LYS A 33 -35.454 27.962 5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.407 26.495 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -33.368 27.193 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -33.569 28.885 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -34.567 29.444 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -36.507 29.285 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -36.089 27.696 8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -34.504 28.777 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -35.008 30.352 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -36.724 30.235 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -37.343 28.917 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -36.317 28.651 11.774 1.00 0.00 H new ATOM 500 N ARG A 34 -36.242 24.945 5.240 1.00 0.00 N ATOM 501 CA ARG A 34 -36.239 23.637 4.499 1.00 0.00 C ATOM 502 C ARG A 34 -35.408 23.723 3.221 1.00 0.00 C ATOM 503 O ARG A 34 -34.575 22.880 2.948 1.00 0.00 O ATOM 504 CB ARG A 34 -37.700 23.252 4.136 1.00 0.00 C ATOM 505 CG ARG A 34 -38.184 22.063 4.986 1.00 0.00 C ATOM 506 CD ARG A 34 -37.460 20.757 4.571 1.00 0.00 C ATOM 507 NE ARG A 34 -38.040 20.274 3.287 1.00 0.00 N ATOM 508 CZ ARG A 34 -37.265 19.848 2.329 1.00 0.00 C ATOM 509 NH1 ARG A 34 -36.195 20.520 2.012 1.00 0.00 N ATOM 510 NH2 ARG A 34 -37.599 18.744 1.722 1.00 0.00 N ATOM 0 H ARG A 34 -37.094 25.104 5.777 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.795 22.879 5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -38.356 24.108 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -37.760 22.996 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -38.000 22.266 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -39.261 21.940 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.391 20.938 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.575 19.999 5.346 1.00 0.00 H new ATOM 0 HE ARG A 34 -39.052 20.277 3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -35.965 21.378 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -35.588 20.188 1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -38.443 18.244 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -37.017 18.380 0.968 1.00 0.00 H new ATOM 524 N GLY A 35 -35.699 24.766 2.483 1.00 0.00 N ATOM 525 CA GLY A 35 -35.025 25.083 1.184 1.00 0.00 C ATOM 526 C GLY A 35 -33.564 24.651 1.148 1.00 0.00 C ATOM 527 O GLY A 35 -33.100 24.165 0.136 1.00 0.00 O ATOM 0 H GLY A 35 -36.414 25.445 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.563 24.592 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -35.085 26.156 1.003 1.00 0.00 H new ATOM 531 N LYS A 36 -32.898 24.852 2.256 1.00 0.00 N ATOM 532 CA LYS A 36 -31.461 24.473 2.355 1.00 0.00 C ATOM 533 C LYS A 36 -31.169 23.488 3.492 1.00 0.00 C ATOM 534 O LYS A 36 -30.084 22.935 3.461 1.00 0.00 O ATOM 535 CB LYS A 36 -30.610 25.759 2.546 1.00 0.00 C ATOM 536 CG LYS A 36 -29.979 26.181 1.200 1.00 0.00 C ATOM 537 CD LYS A 36 -28.813 27.177 1.452 1.00 0.00 C ATOM 538 CE LYS A 36 -27.472 26.568 0.988 1.00 0.00 C ATOM 539 NZ LYS A 36 -26.997 25.538 1.956 1.00 0.00 N ATOM 0 H LYS A 36 -33.293 25.265 3.101 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.198 23.963 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.235 26.564 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -29.828 25.581 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -29.611 25.303 0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -30.733 26.644 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.000 28.108 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -28.760 27.423 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -27.593 26.119 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -26.724 27.355 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.094 25.141 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.862 25.975 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.703 24.778 2.029 1.00 0.00 H new ATOM 553 N CYS A 37 -32.065 23.266 4.440 1.00 0.00 N ATOM 554 CA CYS A 37 -31.754 22.283 5.559 1.00 0.00 C ATOM 555 C CYS A 37 -31.151 21.054 4.918 1.00 0.00 C ATOM 556 O CYS A 37 -30.234 20.405 5.384 1.00 0.00 O ATOM 557 CB CYS A 37 -33.013 21.818 6.292 1.00 0.00 C ATOM 558 SG CYS A 37 -34.248 21.020 5.238 1.00 0.00 S ATOM 0 H CYS A 37 -32.982 23.710 4.492 1.00 0.00 H new ATOM 0 HA CYS A 37 -31.094 22.777 6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.723 21.122 7.079 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.472 22.678 6.780 1.00 0.00 H new ATOM 563 N ALA A 38 -31.773 20.817 3.803 1.00 0.00 N ATOM 564 CA ALA A 38 -31.384 19.677 2.977 1.00 0.00 C ATOM 565 C ALA A 38 -30.025 19.940 2.315 1.00 0.00 C ATOM 566 O ALA A 38 -29.011 19.495 2.817 1.00 0.00 O ATOM 567 CB ALA A 38 -32.521 19.480 1.959 1.00 0.00 C ATOM 0 H ALA A 38 -32.541 21.378 3.435 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.252 18.766 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.286 18.637 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.453 19.282 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.631 20.382 1.357 1.00 0.00 H new ATOM 573 N ALA A 39 -30.049 20.646 1.209 1.00 0.00 N ATOM 574 CA ALA A 39 -28.787 20.978 0.464 1.00 0.00 C ATOM 575 C ALA A 39 -27.596 21.146 1.411 1.00 0.00 C ATOM 576 O ALA A 39 -26.603 20.455 1.319 1.00 0.00 O ATOM 577 CB ALA A 39 -28.978 22.283 -0.320 1.00 0.00 C ATOM 0 H ALA A 39 -30.901 21.012 0.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.578 20.149 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.061 22.521 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.796 22.164 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.213 23.092 0.372 1.00 0.00 H new ATOM 583 N HIS A 40 -27.782 22.084 2.304 1.00 0.00 N ATOM 584 CA HIS A 40 -26.747 22.419 3.324 1.00 0.00 C ATOM 585 C HIS A 40 -26.118 21.196 3.946 1.00 0.00 C ATOM 586 O HIS A 40 -24.910 21.065 3.966 1.00 0.00 O ATOM 587 CB HIS A 40 -27.347 23.251 4.466 1.00 0.00 C ATOM 588 CG HIS A 40 -26.168 23.891 5.255 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.064 23.243 5.542 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.086 25.175 5.753 1.00 0.00 C ATOM 591 CE1 HIS A 40 -24.386 24.149 6.187 1.00 0.00 C ATOM 592 NE2 HIS A 40 -24.935 25.325 6.351 1.00 0.00 N ATOM 0 H HIS A 40 -28.631 22.645 2.369 1.00 0.00 H new ATOM 0 HA HIS A 40 -25.984 22.982 2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.007 24.023 4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -27.949 22.622 5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.850 25.933 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -23.401 23.936 6.575 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -24.560 26.147 6.824 1.00 0.00 H new ATOM 600 N CYS A 41 -26.959 20.335 4.436 1.00 0.00 N ATOM 601 CA CYS A 41 -26.462 19.094 5.086 1.00 0.00 C ATOM 602 C CYS A 41 -25.824 18.162 4.051 1.00 0.00 C ATOM 603 O CYS A 41 -24.878 17.459 4.340 1.00 0.00 O ATOM 604 CB CYS A 41 -27.680 18.487 5.775 1.00 0.00 C ATOM 605 SG CYS A 41 -28.335 19.336 7.238 1.00 0.00 S ATOM 0 H CYS A 41 -27.974 20.437 4.415 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.673 19.283 5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.482 18.420 5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.427 17.467 6.065 1.00 0.00 H new ATOM 610 N ILE A 42 -26.340 18.170 2.854 1.00 0.00 N ATOM 611 CA ILE A 42 -25.753 17.273 1.805 1.00 0.00 C ATOM 612 C ILE A 42 -24.362 17.779 1.382 1.00 0.00 C ATOM 613 O ILE A 42 -23.449 17.009 1.153 1.00 0.00 O ATOM 614 CB ILE A 42 -26.746 17.233 0.581 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.085 15.765 0.221 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.144 17.902 -0.682 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.326 15.728 -0.700 1.00 0.00 C ATOM 0 H ILE A 42 -27.128 18.745 2.555 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.621 16.265 2.198 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.638 17.781 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.236 15.297 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.277 15.193 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -26.864 17.850 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -25.914 18.945 -0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.231 17.381 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.562 14.694 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.175 16.179 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -28.118 16.285 -1.613 1.00 0.00 H new ATOM 629 N ILE A 43 -24.233 19.074 1.286 1.00 0.00 N ATOM 630 CA ILE A 43 -22.928 19.670 0.887 1.00 0.00 C ATOM 631 C ILE A 43 -21.839 19.126 1.810 1.00 0.00 C ATOM 632 O ILE A 43 -20.680 19.086 1.447 1.00 0.00 O ATOM 633 CB ILE A 43 -23.034 21.193 1.020 1.00 0.00 C ATOM 634 CG1 ILE A 43 -24.077 21.719 0.028 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.692 21.895 0.732 1.00 0.00 C ATOM 636 CD1 ILE A 43 -24.587 23.070 0.549 1.00 0.00 C ATOM 0 H ILE A 43 -24.978 19.747 1.467 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.678 19.415 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 43 -23.323 21.411 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.637 21.834 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.901 21.012 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.815 22.973 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.939 21.544 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.372 21.665 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -25.332 23.468 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -25.037 22.934 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -23.754 23.769 0.625 1.00 0.00 H new ATOM 648 N GLN A 44 -22.251 18.709 2.976 1.00 0.00 N ATOM 649 CA GLN A 44 -21.264 18.169 3.960 1.00 0.00 C ATOM 650 C GLN A 44 -20.790 16.737 3.588 1.00 0.00 C ATOM 651 O GLN A 44 -19.619 16.548 3.312 1.00 0.00 O ATOM 652 CB GLN A 44 -21.930 18.193 5.386 1.00 0.00 C ATOM 653 CG GLN A 44 -21.666 19.550 6.135 1.00 0.00 C ATOM 654 CD GLN A 44 -22.506 20.696 5.549 1.00 0.00 C ATOM 655 OE1 GLN A 44 -22.261 21.080 4.337 1.00 0.00 O flip ATOM 656 NE2 GLN A 44 -23.386 21.259 6.165 1.00 0.00 N flip ATOM 0 H GLN A 44 -23.221 18.718 3.291 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.371 18.794 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.004 18.036 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.541 17.368 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.899 19.433 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.608 19.803 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.600 20.977 7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.912 22.015 5.727 1.00 0.00 H new ATOM 665 N LYS A 45 -21.683 15.769 3.578 1.00 0.00 N ATOM 666 CA LYS A 45 -21.300 14.344 3.227 1.00 0.00 C ATOM 667 C LYS A 45 -20.431 14.273 1.961 1.00 0.00 C ATOM 668 O LYS A 45 -19.686 13.339 1.733 1.00 0.00 O ATOM 669 CB LYS A 45 -22.586 13.490 3.007 1.00 0.00 C ATOM 670 CG LYS A 45 -23.496 14.117 1.911 1.00 0.00 C ATOM 671 CD LYS A 45 -24.057 13.058 0.916 1.00 0.00 C ATOM 672 CE LYS A 45 -23.844 13.559 -0.539 1.00 0.00 C ATOM 673 NZ LYS A 45 -24.720 12.814 -1.493 1.00 0.00 N ATOM 0 H LYS A 45 -22.670 15.900 3.799 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.718 13.951 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.308 12.477 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.139 13.413 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.327 14.637 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.928 14.865 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.553 12.102 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.118 12.891 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.062 14.626 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.799 13.431 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.560 13.166 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.494 11.800 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.717 12.957 -1.233 1.00 0.00 H new ATOM 687 N ASN A 46 -20.576 15.311 1.177 1.00 0.00 N ATOM 688 CA ASN A 46 -19.835 15.459 -0.110 1.00 0.00 C ATOM 689 C ASN A 46 -18.517 16.188 0.182 1.00 0.00 C ATOM 690 O ASN A 46 -17.462 15.646 -0.069 1.00 0.00 O ATOM 691 CB ASN A 46 -20.721 16.275 -1.096 1.00 0.00 C ATOM 692 CG ASN A 46 -20.576 15.788 -2.548 1.00 0.00 C ATOM 693 OD1 ASN A 46 -19.556 15.287 -2.974 1.00 0.00 O ATOM 694 ND2 ASN A 46 -21.583 15.916 -3.367 1.00 0.00 N ATOM 0 H ASN A 46 -21.201 16.089 1.386 1.00 0.00 H new ATOM 0 HA ASN A 46 -19.613 14.492 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.765 16.199 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.449 17.329 -1.039 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -21.498 15.599 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.455 16.333 -3.042 1.00 0.00 H new ATOM 701 N ASN A 47 -18.573 17.389 0.710 1.00 0.00 N ATOM 702 CA ASN A 47 -17.285 18.123 1.005 1.00 0.00 C ATOM 703 C ASN A 47 -16.288 17.215 1.749 1.00 0.00 C ATOM 704 O ASN A 47 -15.091 17.296 1.560 1.00 0.00 O ATOM 705 CB ASN A 47 -17.562 19.372 1.878 1.00 0.00 C ATOM 706 CG ASN A 47 -17.690 20.616 0.987 1.00 0.00 C ATOM 707 OD1 ASN A 47 -16.753 21.355 0.772 1.00 0.00 O ATOM 708 ND2 ASN A 47 -18.827 20.905 0.434 1.00 0.00 N ATOM 0 H ASN A 47 -19.430 17.889 0.947 1.00 0.00 H new ATOM 0 HA ASN A 47 -16.855 18.424 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.478 19.229 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -16.754 19.510 2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -18.910 21.731 -0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -19.638 20.306 0.592 1.00 0.00 H new ATOM 715 N CYS A 48 -16.843 16.369 2.577 1.00 0.00 N ATOM 716 CA CYS A 48 -16.038 15.401 3.392 1.00 0.00 C ATOM 717 C CYS A 48 -15.265 14.445 2.479 1.00 0.00 C ATOM 718 O CYS A 48 -14.111 14.145 2.715 1.00 0.00 O ATOM 719 CB CYS A 48 -17.004 14.623 4.280 1.00 0.00 C ATOM 720 SG CYS A 48 -16.484 13.865 5.840 1.00 0.00 S ATOM 0 H CYS A 48 -17.850 16.305 2.728 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.310 15.936 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.824 15.300 4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.419 13.823 3.666 1.00 0.00 H new ATOM 725 N LYS A 49 -15.938 14.001 1.447 1.00 0.00 N ATOM 726 CA LYS A 49 -15.324 13.054 0.459 1.00 0.00 C ATOM 727 C LYS A 49 -13.905 13.482 0.093 1.00 0.00 C ATOM 728 O LYS A 49 -12.937 12.838 0.437 1.00 0.00 O ATOM 729 CB LYS A 49 -16.176 12.998 -0.843 1.00 0.00 C ATOM 730 CG LYS A 49 -17.481 12.171 -0.654 1.00 0.00 C ATOM 731 CD LYS A 49 -17.389 10.840 -1.453 1.00 0.00 C ATOM 732 CE LYS A 49 -17.991 9.664 -0.660 1.00 0.00 C ATOM 733 NZ LYS A 49 -19.467 9.575 -0.861 1.00 0.00 N ATOM 0 H LYS A 49 -16.904 14.258 1.242 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.294 12.070 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.431 14.011 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.583 12.560 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.637 11.959 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.340 12.750 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.914 10.947 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.346 10.626 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.522 8.732 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.773 9.788 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.844 8.774 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.915 10.456 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.672 9.433 -1.871 1.00 0.00 H new ATOM 747 N GLY A 50 -13.836 14.593 -0.591 1.00 0.00 N ATOM 748 CA GLY A 50 -12.515 15.145 -1.036 1.00 0.00 C ATOM 749 C GLY A 50 -11.590 15.534 0.111 1.00 0.00 C ATOM 750 O GLY A 50 -10.462 15.924 -0.124 1.00 0.00 O ATOM 0 H GLY A 50 -14.645 15.150 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.014 14.404 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.690 16.020 -1.661 1.00 0.00 H new ATOM 754 N LYS A 51 -12.079 15.419 1.313 1.00 0.00 N ATOM 755 CA LYS A 51 -11.236 15.776 2.480 1.00 0.00 C ATOM 756 C LYS A 51 -10.540 14.471 2.858 1.00 0.00 C ATOM 757 O LYS A 51 -9.327 14.400 2.879 1.00 0.00 O ATOM 758 CB LYS A 51 -12.178 16.348 3.630 1.00 0.00 C ATOM 759 CG LYS A 51 -12.175 15.494 4.935 1.00 0.00 C ATOM 760 CD LYS A 51 -13.089 16.095 6.021 1.00 0.00 C ATOM 761 CE LYS A 51 -13.458 14.962 7.009 1.00 0.00 C ATOM 762 NZ LYS A 51 -14.653 15.335 7.812 1.00 0.00 N ATOM 0 H LYS A 51 -13.020 15.095 1.535 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.495 16.552 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.864 17.363 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.198 16.412 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.503 14.480 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.157 15.421 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.580 16.906 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.988 16.518 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.656 14.042 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.616 14.762 7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.652 14.801 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.628 16.354 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.515 15.112 7.275 1.00 0.00 H new ATOM 776 N CYS A 52 -11.324 13.473 3.147 1.00 0.00 N ATOM 777 CA CYS A 52 -10.744 12.154 3.535 1.00 0.00 C ATOM 778 C CYS A 52 -10.722 11.015 2.491 1.00 0.00 C ATOM 779 O CYS A 52 -9.782 10.239 2.445 1.00 0.00 O ATOM 780 CB CYS A 52 -11.495 11.758 4.816 1.00 0.00 C ATOM 781 SG CYS A 52 -10.595 12.230 6.321 1.00 0.00 S ATOM 0 H CYS A 52 -12.343 13.511 3.132 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.670 12.292 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.477 12.232 4.819 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.661 10.681 4.818 1.00 0.00 H new ATOM 786 N LYS A 53 -11.733 10.920 1.669 1.00 0.00 N ATOM 787 CA LYS A 53 -11.756 9.824 0.648 1.00 0.00 C ATOM 788 C LYS A 53 -10.714 10.136 -0.431 1.00 0.00 C ATOM 789 O LYS A 53 -10.967 10.801 -1.419 1.00 0.00 O ATOM 790 CB LYS A 53 -13.180 9.727 0.031 1.00 0.00 C ATOM 791 CG LYS A 53 -14.179 9.181 1.094 1.00 0.00 C ATOM 792 CD LYS A 53 -14.508 7.696 0.798 1.00 0.00 C ATOM 793 CE LYS A 53 -15.730 7.249 1.619 1.00 0.00 C ATOM 794 NZ LYS A 53 -16.942 7.129 0.760 1.00 0.00 N ATOM 0 H LYS A 53 -12.538 11.546 1.657 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.514 8.866 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.504 10.708 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.166 9.070 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.749 9.275 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.094 9.774 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.708 7.565 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.649 7.070 1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.521 6.290 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.917 7.967 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -17.612 7.888 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.668 7.209 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.393 6.206 0.923 1.00 0.00 H new ATOM 808 N LYS A 54 -9.537 9.622 -0.204 1.00 0.00 N ATOM 809 CA LYS A 54 -8.416 9.840 -1.160 1.00 0.00 C ATOM 810 C LYS A 54 -8.803 9.311 -2.546 1.00 0.00 C ATOM 811 O LYS A 54 -9.373 8.245 -2.681 1.00 0.00 O ATOM 812 CB LYS A 54 -7.170 9.103 -0.628 1.00 0.00 C ATOM 813 CG LYS A 54 -7.461 7.577 -0.539 1.00 0.00 C ATOM 814 CD LYS A 54 -6.325 6.837 0.184 1.00 0.00 C ATOM 815 CE LYS A 54 -5.085 6.738 -0.734 1.00 0.00 C ATOM 816 NZ LYS A 54 -3.843 6.920 0.068 1.00 0.00 N ATOM 0 H LYS A 54 -9.302 9.055 0.611 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.199 10.904 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.320 9.283 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.899 9.489 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.400 7.413 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.585 7.168 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.065 7.363 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.656 5.839 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.067 5.769 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.138 7.497 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.014 6.852 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.858 7.855 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.789 6.180 0.797 1.00 0.00 H new ATOM 830 N GLU A 55 -8.471 10.070 -3.551 1.00 0.00 N ATOM 831 CA GLU A 55 -8.806 9.653 -4.946 1.00 0.00 C ATOM 832 C GLU A 55 -7.565 9.039 -5.619 1.00 0.00 C ATOM 833 O GLU A 55 -7.695 7.914 -6.076 1.00 0.00 O ATOM 834 CB GLU A 55 -9.302 10.910 -5.711 1.00 0.00 C ATOM 835 CG GLU A 55 -10.517 11.550 -4.955 1.00 0.00 C ATOM 836 CD GLU A 55 -10.931 12.929 -5.536 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.644 13.168 -6.702 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.521 13.673 -4.766 1.00 0.00 O ATOM 839 OXT GLU A 55 -6.556 9.726 -5.631 1.00 0.00 O ATOM 0 H GLU A 55 -7.982 10.962 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.588 8.894 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.494 11.636 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.596 10.637 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.368 10.870 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.262 11.667 -3.902 1.00 0.00 H new TER 846 GLU A 55