USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 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 45 LYS NZ :NH3+ -144:sc= 0.742 (180deg=-0.118) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.65 K(o=1.4,f=-3.3) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -2.01 K(o=-6.2,f=-6.8!) USER MOD Set 2.2: A 44 GLN : amide:sc= -4.17! K(o=-6.2!,f=-3.9) USER MOD Set 3.1: A 15 ASN : amide:sc= -4.15! C(o=-2.3!,f=-15!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -117:sc= 1.84 (180deg=-1.71!) USER MOD Single : A 1 ALA N :NH3+ 146:sc= 0.0399 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.917 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 9 TYR OH : rot -130:sc= -0.39! USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -3.97! K(o=-4!,f=-0.7) USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -0.353 (180deg=-1.32!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.269 (180deg=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= -0.434 (180deg=-1.49) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.521 0.375 -9.036 1.00 0.00 N ATOM 2 CA ALA A 1 -0.560 -0.475 -8.454 1.00 0.00 C ATOM 3 C ALA A 1 -1.810 0.391 -8.239 1.00 0.00 C ATOM 4 O ALA A 1 -1.700 1.550 -7.889 1.00 0.00 O ATOM 5 CB ALA A 1 -0.110 -1.048 -7.107 1.00 0.00 C ATOM 0 H1 ALA A 1 1.444 0.056 -8.679 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.505 0.296 -10.073 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.368 1.367 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.781 -1.296 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.905 -1.666 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.784 -1.655 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.112 -0.231 -6.420 1.00 0.00 H new ATOM 13 N SER A 2 -2.956 -0.190 -8.452 1.00 0.00 N ATOM 14 CA SER A 2 -4.245 0.541 -8.279 1.00 0.00 C ATOM 15 C SER A 2 -4.967 0.014 -7.031 1.00 0.00 C ATOM 16 O SER A 2 -5.455 -1.102 -7.056 1.00 0.00 O ATOM 17 CB SER A 2 -5.093 0.295 -9.523 1.00 0.00 C ATOM 18 OG SER A 2 -4.960 -1.113 -9.695 1.00 0.00 O ATOM 0 H SER A 2 -3.057 -1.162 -8.745 1.00 0.00 H new ATOM 0 HA SER A 2 -4.071 1.609 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.131 0.592 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.723 0.849 -10.386 1.00 0.00 H new ATOM 0 HG SER A 2 -5.056 -1.559 -8.828 1.00 0.00 H new ATOM 24 N ALA A 3 -5.016 0.807 -5.996 1.00 0.00 N ATOM 25 CA ALA A 3 -5.703 0.382 -4.739 1.00 0.00 C ATOM 26 C ALA A 3 -7.084 1.050 -4.722 1.00 0.00 C ATOM 27 O ALA A 3 -7.270 2.091 -5.325 1.00 0.00 O ATOM 28 CB ALA A 3 -4.868 0.841 -3.538 1.00 0.00 C ATOM 0 H ALA A 3 -4.606 1.740 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.814 -0.701 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.360 0.536 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.878 0.387 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.771 1.927 -3.556 1.00 0.00 H new ATOM 34 N THR A 4 -8.022 0.466 -4.033 1.00 0.00 N ATOM 35 CA THR A 4 -9.396 1.040 -3.958 1.00 0.00 C ATOM 36 C THR A 4 -9.430 2.124 -2.874 1.00 0.00 C ATOM 37 O THR A 4 -10.149 2.019 -1.896 1.00 0.00 O ATOM 38 CB THR A 4 -10.356 -0.128 -3.639 1.00 0.00 C ATOM 39 OG1 THR A 4 -9.560 -1.031 -2.870 1.00 0.00 O ATOM 40 CG2 THR A 4 -10.673 -0.943 -4.900 1.00 0.00 C ATOM 0 H THR A 4 -7.894 -0.400 -3.509 1.00 0.00 H new ATOM 0 HA THR A 4 -9.698 1.511 -4.894 1.00 0.00 H new ATOM 0 HB THR A 4 -11.268 0.254 -3.180 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.099 -1.811 -2.620 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.350 -1.758 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.144 -0.298 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.750 -1.353 -5.310 1.00 0.00 H new ATOM 48 N TRP A 5 -8.613 3.122 -3.119 1.00 0.00 N ATOM 49 CA TRP A 5 -8.458 4.312 -2.218 1.00 0.00 C ATOM 50 C TRP A 5 -9.783 4.843 -1.632 1.00 0.00 C ATOM 51 O TRP A 5 -10.309 5.856 -2.049 1.00 0.00 O ATOM 52 CB TRP A 5 -7.768 5.425 -3.009 1.00 0.00 C ATOM 53 CG TRP A 5 -6.338 5.012 -3.373 1.00 0.00 C ATOM 54 CD1 TRP A 5 -5.819 4.823 -4.632 1.00 0.00 C ATOM 55 CD2 TRP A 5 -5.300 4.763 -2.507 1.00 0.00 C ATOM 56 NE1 TRP A 5 -4.557 4.484 -4.591 1.00 0.00 N ATOM 57 CE2 TRP A 5 -4.220 4.440 -3.328 1.00 0.00 C ATOM 58 CE3 TRP A 5 -5.136 4.767 -1.121 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -2.987 4.124 -2.774 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.898 4.450 -0.565 1.00 0.00 C ATOM 61 CH2 TRP A 5 -2.824 4.129 -1.393 1.00 0.00 C ATOM 0 H TRP A 5 -8.019 3.161 -3.947 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.865 3.989 -1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.333 5.640 -3.916 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.750 6.342 -2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.385 4.940 -5.544 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.952 4.291 -5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.968 5.016 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.155 3.874 -3.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.771 4.453 0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.865 3.884 -0.962 1.00 0.00 H new ATOM 72 N GLY A 6 -10.282 4.128 -0.675 1.00 0.00 N ATOM 73 CA GLY A 6 -11.553 4.486 0.010 1.00 0.00 C ATOM 74 C GLY A 6 -11.731 3.408 1.046 1.00 0.00 C ATOM 75 O GLY A 6 -11.726 3.686 2.226 1.00 0.00 O ATOM 0 H GLY A 6 -9.846 3.276 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.494 5.473 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.389 4.509 -0.689 1.00 0.00 H new ATOM 79 N ALA A 7 -11.866 2.213 0.529 1.00 0.00 N ATOM 80 CA ALA A 7 -12.060 0.945 1.320 1.00 0.00 C ATOM 81 C ALA A 7 -11.444 0.869 2.732 1.00 0.00 C ATOM 82 O ALA A 7 -11.903 0.103 3.554 1.00 0.00 O ATOM 83 CB ALA A 7 -11.513 -0.230 0.471 1.00 0.00 C ATOM 0 H ALA A 7 -11.849 2.052 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.132 0.904 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.640 -1.164 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.060 -0.284 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.454 -0.070 0.267 1.00 0.00 H new ATOM 89 N ALA A 8 -10.425 1.643 2.991 1.00 0.00 N ATOM 90 CA ALA A 8 -9.778 1.616 4.341 1.00 0.00 C ATOM 91 C ALA A 8 -10.213 2.786 5.236 1.00 0.00 C ATOM 92 O ALA A 8 -10.382 2.605 6.425 1.00 0.00 O ATOM 93 CB ALA A 8 -8.248 1.657 4.166 1.00 0.00 C ATOM 0 H ALA A 8 -10.009 2.296 2.326 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.095 0.697 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.769 1.638 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.925 0.792 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.966 2.570 3.642 1.00 0.00 H new ATOM 99 N TYR A 9 -10.383 3.950 4.656 1.00 0.00 N ATOM 100 CA TYR A 9 -10.799 5.143 5.461 1.00 0.00 C ATOM 101 C TYR A 9 -12.280 5.581 5.391 1.00 0.00 C ATOM 102 O TYR A 9 -12.555 6.711 5.752 1.00 0.00 O ATOM 103 CB TYR A 9 -9.877 6.344 5.055 1.00 0.00 C ATOM 104 CG TYR A 9 -10.030 6.774 3.580 1.00 0.00 C ATOM 105 CD1 TYR A 9 -11.047 7.630 3.191 1.00 0.00 C ATOM 106 CD2 TYR A 9 -9.150 6.317 2.615 1.00 0.00 C ATOM 107 CE1 TYR A 9 -11.172 8.014 1.879 1.00 0.00 C ATOM 108 CE2 TYR A 9 -9.282 6.706 1.301 1.00 0.00 C ATOM 109 CZ TYR A 9 -10.296 7.556 0.927 1.00 0.00 C ATOM 110 OH TYR A 9 -10.448 7.946 -0.384 1.00 0.00 O ATOM 0 H TYR A 9 -10.252 4.126 3.660 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.685 4.831 6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.101 7.196 5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.838 6.071 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.747 7.998 3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.350 5.647 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.969 8.684 1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.586 6.342 0.560 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.424 7.157 -0.965 1.00 0.00 H new HETATM 120 N HYP A 10 -13.213 4.757 4.966 1.00 0.00 N HETATM 121 CA HYP A 10 -14.504 5.244 4.383 1.00 0.00 C HETATM 122 C HYP A 10 -15.194 6.170 5.375 1.00 0.00 C HETATM 123 O HYP A 10 -15.821 7.156 5.031 1.00 0.00 O HETATM 124 CB HYP A 10 -15.369 4.010 4.055 1.00 0.00 C HETATM 125 CG HYP A 10 -14.667 2.868 4.801 1.00 0.00 C HETATM 126 CD HYP A 10 -13.200 3.267 4.992 1.00 0.00 C HETATM 127 OD1 HYP A 10 -14.657 1.828 3.838 1.00 0.00 O HETATM 0 HD23 HYP A 10 -12.572 2.862 4.199 1.00 0.00 H new HETATM 0 HD22 HYP A 10 -12.805 2.890 5.935 1.00 0.00 H new HETATM 0 HG HYP A 10 -15.132 2.620 5.755 1.00 0.00 H new HETATM 0 HD1 HYP A 10 -14.221 1.036 4.216 1.00 0.00 H new HETATM 0 HB3 HYP A 10 -16.397 4.139 4.395 1.00 0.00 H new HETATM 0 HB2 HYP A 10 -15.410 3.823 2.982 1.00 0.00 H new HETATM 0 HA HYP A 10 -14.336 5.814 3.469 1.00 0.00 H new ATOM 135 N ALA A 11 -15.023 5.766 6.597 1.00 0.00 N ATOM 136 CA ALA A 11 -15.573 6.479 7.779 1.00 0.00 C ATOM 137 C ALA A 11 -15.395 8.001 7.665 1.00 0.00 C ATOM 138 O ALA A 11 -16.271 8.755 8.029 1.00 0.00 O ATOM 139 CB ALA A 11 -14.844 5.960 8.998 1.00 0.00 C ATOM 0 H ALA A 11 -14.496 4.926 6.836 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.645 6.294 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.222 6.462 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.007 4.886 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.777 6.157 8.895 1.00 0.00 H new ATOM 145 N CYS A 12 -14.253 8.381 7.160 1.00 0.00 N ATOM 146 CA CYS A 12 -13.890 9.825 6.974 1.00 0.00 C ATOM 147 C CYS A 12 -14.839 10.587 6.031 1.00 0.00 C ATOM 148 O CYS A 12 -14.814 11.799 5.970 1.00 0.00 O ATOM 149 CB CYS A 12 -12.462 9.854 6.446 1.00 0.00 C ATOM 150 SG CYS A 12 -11.558 11.425 6.484 1.00 0.00 S ATOM 0 H CYS A 12 -13.529 7.730 6.857 1.00 0.00 H new ATOM 0 HA CYS A 12 -13.981 10.339 7.931 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.884 9.125 7.014 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.484 9.509 5.412 1.00 0.00 H new ATOM 155 N GLU A 13 -15.631 9.827 5.329 1.00 0.00 N ATOM 156 CA GLU A 13 -16.640 10.355 4.361 1.00 0.00 C ATOM 157 C GLU A 13 -18.016 9.987 4.945 1.00 0.00 C ATOM 158 O GLU A 13 -18.943 10.777 4.978 1.00 0.00 O ATOM 159 CB GLU A 13 -16.438 9.678 2.990 1.00 0.00 C ATOM 160 CG GLU A 13 -17.442 10.241 1.931 1.00 0.00 C ATOM 161 CD GLU A 13 -18.891 9.705 2.111 1.00 0.00 C ATOM 162 OE1 GLU A 13 -19.039 8.563 2.539 1.00 0.00 O ATOM 163 OE2 GLU A 13 -19.788 10.477 1.807 1.00 0.00 O ATOM 0 H GLU A 13 -15.620 8.809 5.389 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.548 11.432 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.416 9.839 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.575 8.601 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.454 11.329 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.088 9.984 0.933 1.00 0.00 H new ATOM 170 N ASN A 14 -18.125 8.761 5.393 1.00 0.00 N ATOM 171 CA ASN A 14 -19.411 8.270 5.994 1.00 0.00 C ATOM 172 C ASN A 14 -19.823 9.208 7.121 1.00 0.00 C ATOM 173 O ASN A 14 -20.990 9.506 7.299 1.00 0.00 O ATOM 174 CB ASN A 14 -19.229 6.856 6.569 1.00 0.00 C ATOM 175 CG ASN A 14 -18.579 5.925 5.544 1.00 0.00 C ATOM 176 OD1 ASN A 14 -18.026 4.900 5.880 1.00 0.00 O ATOM 177 ND2 ASN A 14 -18.617 6.244 4.283 1.00 0.00 N ATOM 0 H ASN A 14 -17.374 8.071 5.369 1.00 0.00 H new ATOM 0 HA ASN A 14 -20.176 8.245 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.612 6.901 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.197 6.454 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -18.184 5.634 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.080 7.104 3.988 1.00 0.00 H new ATOM 184 N ASN A 15 -18.831 9.640 7.844 1.00 0.00 N ATOM 185 CA ASN A 15 -19.020 10.574 8.998 1.00 0.00 C ATOM 186 C ASN A 15 -19.915 11.711 8.563 1.00 0.00 C ATOM 187 O ASN A 15 -20.815 12.100 9.278 1.00 0.00 O ATOM 188 CB ASN A 15 -17.638 11.154 9.462 1.00 0.00 C ATOM 189 CG ASN A 15 -16.877 11.736 8.260 1.00 0.00 C ATOM 190 OD1 ASN A 15 -17.195 11.427 7.136 1.00 0.00 O ATOM 191 ND2 ASN A 15 -15.879 12.562 8.382 1.00 0.00 N ATOM 0 H ASN A 15 -17.859 9.377 7.680 1.00 0.00 H new ATOM 0 HA ASN A 15 -19.472 10.032 9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.794 11.929 10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.045 10.369 9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.406 12.916 7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.570 12.855 9.309 1.00 0.00 H new ATOM 198 N CYS A 16 -19.662 12.206 7.387 1.00 0.00 N ATOM 199 CA CYS A 16 -20.495 13.329 6.909 1.00 0.00 C ATOM 200 C CYS A 16 -21.722 12.825 6.191 1.00 0.00 C ATOM 201 O CYS A 16 -22.673 13.571 6.069 1.00 0.00 O ATOM 202 CB CYS A 16 -19.699 14.185 5.956 1.00 0.00 C ATOM 203 SG CYS A 16 -18.011 14.680 6.378 1.00 0.00 S ATOM 0 H CYS A 16 -18.931 11.888 6.751 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.803 13.912 7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.653 13.654 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.271 15.097 5.785 1.00 0.00 H new ATOM 208 N ARG A 17 -21.704 11.592 5.755 1.00 0.00 N ATOM 209 CA ARG A 17 -22.928 11.117 5.038 1.00 0.00 C ATOM 210 C ARG A 17 -24.056 10.948 6.048 1.00 0.00 C ATOM 211 O ARG A 17 -25.188 11.333 5.807 1.00 0.00 O ATOM 212 CB ARG A 17 -22.617 9.786 4.344 1.00 0.00 C ATOM 213 CG ARG A 17 -23.797 9.466 3.402 1.00 0.00 C ATOM 214 CD ARG A 17 -23.546 8.153 2.668 1.00 0.00 C ATOM 215 NE ARG A 17 -24.819 7.781 1.982 1.00 0.00 N ATOM 216 CZ ARG A 17 -25.432 6.683 2.316 1.00 0.00 C ATOM 217 NH1 ARG A 17 -26.318 6.724 3.268 1.00 0.00 N ATOM 218 NH2 ARG A 17 -25.132 5.588 1.681 1.00 0.00 N ATOM 0 H ARG A 17 -20.940 10.923 5.855 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.235 11.841 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.686 9.855 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.487 8.992 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.721 9.399 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.926 10.274 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -22.738 8.265 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.243 7.373 3.367 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.206 8.384 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.521 7.606 3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -26.809 5.874 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.431 5.604 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.598 4.714 1.924 1.00 0.00 H new ATOM 232 N LYS A 18 -23.694 10.382 7.165 1.00 0.00 N ATOM 233 CA LYS A 18 -24.711 10.163 8.233 1.00 0.00 C ATOM 234 C LYS A 18 -24.989 11.529 8.857 1.00 0.00 C ATOM 235 O LYS A 18 -26.130 11.891 9.078 1.00 0.00 O ATOM 236 CB LYS A 18 -24.142 9.181 9.289 1.00 0.00 C ATOM 237 CG LYS A 18 -24.668 7.750 9.006 1.00 0.00 C ATOM 238 CD LYS A 18 -26.090 7.576 9.609 1.00 0.00 C ATOM 239 CE LYS A 18 -26.904 6.586 8.750 1.00 0.00 C ATOM 240 NZ LYS A 18 -28.239 6.351 9.371 1.00 0.00 N ATOM 0 H LYS A 18 -22.750 10.064 7.384 1.00 0.00 H new ATOM 0 HA LYS A 18 -25.630 9.731 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.052 9.191 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.437 9.496 10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.695 7.570 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.989 7.013 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.018 7.210 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.598 8.539 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.027 6.982 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.365 5.643 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.781 5.683 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -28.114 5.954 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.755 7.252 9.436 1.00 0.00 H new ATOM 254 N LYS A 19 -23.941 12.264 9.128 1.00 0.00 N ATOM 255 CA LYS A 19 -24.140 13.616 9.736 1.00 0.00 C ATOM 256 C LYS A 19 -25.083 14.441 8.850 1.00 0.00 C ATOM 257 O LYS A 19 -25.997 15.058 9.355 1.00 0.00 O ATOM 258 CB LYS A 19 -22.760 14.287 9.872 1.00 0.00 C ATOM 259 CG LYS A 19 -22.718 15.517 10.810 1.00 0.00 C ATOM 260 CD LYS A 19 -23.718 15.426 11.998 1.00 0.00 C ATOM 261 CE LYS A 19 -23.356 16.476 13.073 1.00 0.00 C ATOM 262 NZ LYS A 19 -24.558 16.817 13.890 1.00 0.00 N ATOM 0 H LYS A 19 -22.972 11.994 8.959 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.597 13.540 10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.048 13.547 10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.423 14.593 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.708 15.629 11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.936 16.414 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.735 15.593 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.692 14.426 12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.567 16.089 13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.965 17.375 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -24.300 17.524 14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.299 17.206 13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.913 15.960 14.359 1.00 0.00 H new ATOM 276 N TYR A 20 -24.859 14.444 7.562 1.00 0.00 N ATOM 277 CA TYR A 20 -25.742 15.222 6.638 1.00 0.00 C ATOM 278 C TYR A 20 -27.207 14.873 6.898 1.00 0.00 C ATOM 279 O TYR A 20 -28.073 15.725 6.938 1.00 0.00 O ATOM 280 CB TYR A 20 -25.330 14.874 5.169 1.00 0.00 C ATOM 281 CG TYR A 20 -26.549 14.714 4.244 1.00 0.00 C ATOM 282 CD1 TYR A 20 -27.392 15.770 3.985 1.00 0.00 C ATOM 283 CD2 TYR A 20 -26.816 13.491 3.662 1.00 0.00 C ATOM 284 CE1 TYR A 20 -28.479 15.616 3.163 1.00 0.00 C ATOM 285 CE2 TYR A 20 -27.909 13.334 2.837 1.00 0.00 C ATOM 286 CZ TYR A 20 -28.745 14.396 2.585 1.00 0.00 C ATOM 287 OH TYR A 20 -29.845 14.239 1.773 1.00 0.00 O ATOM 0 H TYR A 20 -24.099 13.939 7.106 1.00 0.00 H new ATOM 0 HA TYR A 20 -25.626 16.293 6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.682 15.659 4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -24.750 13.951 5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.195 16.732 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.164 12.652 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.129 16.456 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.109 12.373 2.387 1.00 0.00 H new ATOM 0 HH TYR A 20 -29.882 13.315 1.448 1.00 0.00 H new ATOM 297 N ASP A 21 -27.431 13.603 7.069 1.00 0.00 N ATOM 298 CA ASP A 21 -28.814 13.133 7.323 1.00 0.00 C ATOM 299 C ASP A 21 -29.333 13.650 8.655 1.00 0.00 C ATOM 300 O ASP A 21 -30.340 14.329 8.700 1.00 0.00 O ATOM 301 CB ASP A 21 -28.798 11.592 7.292 1.00 0.00 C ATOM 302 CG ASP A 21 -29.310 11.047 5.946 1.00 0.00 C ATOM 303 OD1 ASP A 21 -30.227 11.620 5.376 1.00 0.00 O ATOM 304 OD2 ASP A 21 -28.735 10.047 5.549 1.00 0.00 O ATOM 0 H ASP A 21 -26.718 12.874 7.044 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.488 13.516 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.783 11.234 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -29.417 11.205 8.101 1.00 0.00 H new ATOM 309 N LEU A 22 -28.624 13.321 9.701 1.00 0.00 N ATOM 310 CA LEU A 22 -29.033 13.767 11.066 1.00 0.00 C ATOM 311 C LEU A 22 -29.232 15.286 11.071 1.00 0.00 C ATOM 312 O LEU A 22 -30.279 15.767 11.449 1.00 0.00 O ATOM 313 CB LEU A 22 -27.929 13.353 12.074 1.00 0.00 C ATOM 314 CG LEU A 22 -27.809 11.793 12.111 1.00 0.00 C ATOM 315 CD1 LEU A 22 -26.339 11.379 12.323 1.00 0.00 C ATOM 316 CD2 LEU A 22 -28.660 11.236 13.274 1.00 0.00 C ATOM 0 H LEU A 22 -27.773 12.759 9.669 1.00 0.00 H new ATOM 0 HA LEU A 22 -29.974 13.298 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.975 13.794 11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -28.168 13.733 13.067 1.00 0.00 H new ATOM 0 HG LEU A 22 -28.166 11.391 11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -26.267 10.292 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -25.731 11.765 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.978 11.787 13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -28.576 10.150 13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -28.302 11.649 14.217 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -29.703 11.516 13.128 1.00 0.00 H new ATOM 328 N CYS A 23 -28.187 15.945 10.650 1.00 0.00 N ATOM 329 CA CYS A 23 -28.071 17.428 10.534 1.00 0.00 C ATOM 330 C CYS A 23 -29.334 18.088 10.008 1.00 0.00 C ATOM 331 O CYS A 23 -29.631 19.211 10.368 1.00 0.00 O ATOM 332 CB CYS A 23 -26.883 17.737 9.604 1.00 0.00 C ATOM 333 SG CYS A 23 -26.605 19.423 8.999 1.00 0.00 S ATOM 0 H CYS A 23 -27.335 15.467 10.357 1.00 0.00 H new ATOM 0 HA CYS A 23 -27.913 17.838 11.531 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -25.977 17.429 10.126 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -26.982 17.093 8.730 1.00 0.00 H new ATOM 338 N ILE A 24 -30.062 17.390 9.182 1.00 0.00 N ATOM 339 CA ILE A 24 -31.302 17.994 8.633 1.00 0.00 C ATOM 340 C ILE A 24 -32.404 18.151 9.687 1.00 0.00 C ATOM 341 O ILE A 24 -33.376 17.425 9.793 1.00 0.00 O ATOM 342 CB ILE A 24 -31.735 17.106 7.418 1.00 0.00 C ATOM 343 CG1 ILE A 24 -30.846 17.565 6.251 1.00 0.00 C ATOM 344 CG2 ILE A 24 -33.201 17.343 6.977 1.00 0.00 C ATOM 345 CD1 ILE A 24 -30.866 16.512 5.139 1.00 0.00 C ATOM 0 H ILE A 24 -29.855 16.442 8.868 1.00 0.00 H new ATOM 0 HA ILE A 24 -31.114 19.016 8.303 1.00 0.00 H new ATOM 0 HB ILE A 24 -31.641 16.056 7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -31.201 18.521 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -29.825 17.721 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -33.436 16.696 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -33.872 17.115 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -33.329 18.385 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -30.234 16.842 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -30.490 15.565 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -31.887 16.378 4.783 1.00 0.00 H new ATOM 357 N ARG A 25 -32.213 19.173 10.472 1.00 0.00 N ATOM 358 CA ARG A 25 -33.180 19.496 11.545 1.00 0.00 C ATOM 359 C ARG A 25 -33.964 20.560 10.793 1.00 0.00 C ATOM 360 O ARG A 25 -34.070 21.711 11.180 1.00 0.00 O ATOM 361 CB ARG A 25 -32.483 20.112 12.775 1.00 0.00 C ATOM 362 CG ARG A 25 -32.274 19.085 13.919 1.00 0.00 C ATOM 363 CD ARG A 25 -31.727 17.748 13.454 1.00 0.00 C ATOM 364 NE ARG A 25 -30.438 18.077 12.800 1.00 0.00 N ATOM 365 CZ ARG A 25 -29.317 17.881 13.431 1.00 0.00 C ATOM 366 NH1 ARG A 25 -28.928 16.661 13.659 1.00 0.00 N ATOM 367 NH2 ARG A 25 -28.650 18.933 13.798 1.00 0.00 N ATOM 0 H ARG A 25 -31.415 19.805 10.411 1.00 0.00 H new ATOM 0 HA ARG A 25 -33.743 18.654 11.948 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -31.517 20.518 12.475 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -33.078 20.947 13.145 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -31.591 19.510 14.655 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -33.225 18.921 14.425 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -31.583 17.066 14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -32.411 17.260 12.759 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.430 18.458 11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -29.499 15.876 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -28.052 16.489 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -29.010 19.864 13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.766 18.828 14.295 1.00 0.00 H new ATOM 381 N CYS A 26 -34.511 20.120 9.681 1.00 0.00 N ATOM 382 CA CYS A 26 -35.305 21.079 8.869 1.00 0.00 C ATOM 383 C CYS A 26 -36.504 21.519 9.722 1.00 0.00 C ATOM 384 O CYS A 26 -37.206 22.465 9.428 1.00 0.00 O ATOM 385 CB CYS A 26 -35.811 20.441 7.620 1.00 0.00 C ATOM 386 SG CYS A 26 -34.600 20.139 6.305 1.00 0.00 S ATOM 0 H CYS A 26 -34.442 19.170 9.316 1.00 0.00 H new ATOM 0 HA CYS A 26 -34.676 21.923 8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -36.267 19.488 7.887 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -36.603 21.071 7.214 1.00 0.00 H new ATOM 391 N GLN A 27 -36.680 20.770 10.776 1.00 0.00 N ATOM 392 CA GLN A 27 -37.768 21.013 11.734 1.00 0.00 C ATOM 393 C GLN A 27 -37.140 21.712 12.944 1.00 0.00 C ATOM 394 O GLN A 27 -36.007 21.437 13.296 1.00 0.00 O ATOM 395 CB GLN A 27 -38.401 19.703 12.215 1.00 0.00 C ATOM 396 CG GLN A 27 -37.297 18.676 12.581 1.00 0.00 C ATOM 397 CD GLN A 27 -37.101 17.721 11.409 1.00 0.00 C ATOM 398 OE1 GLN A 27 -36.774 16.568 11.568 1.00 0.00 O ATOM 399 NE2 GLN A 27 -37.286 18.163 10.199 1.00 0.00 N ATOM 0 H GLN A 27 -36.087 19.974 11.010 1.00 0.00 H new ATOM 0 HA GLN A 27 -38.546 21.609 11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -39.033 19.893 13.083 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -39.044 19.294 11.436 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -36.363 19.191 12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -37.580 18.121 13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -37.562 19.133 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -37.155 17.539 9.403 1.00 0.00 H new ATOM 408 N GLY A 28 -37.876 22.593 13.559 1.00 0.00 N ATOM 409 CA GLY A 28 -37.313 23.301 14.744 1.00 0.00 C ATOM 410 C GLY A 28 -36.170 24.201 14.278 1.00 0.00 C ATOM 411 O GLY A 28 -36.403 25.294 13.801 1.00 0.00 O ATOM 0 H GLY A 28 -38.828 22.852 13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -38.086 23.894 15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -36.952 22.581 15.478 1.00 0.00 H new ATOM 415 N LYS A 29 -34.972 23.700 14.433 1.00 0.00 N ATOM 416 CA LYS A 29 -33.734 24.448 14.032 1.00 0.00 C ATOM 417 C LYS A 29 -33.915 25.190 12.702 1.00 0.00 C ATOM 418 O LYS A 29 -33.536 26.339 12.593 1.00 0.00 O ATOM 419 CB LYS A 29 -32.562 23.455 13.916 1.00 0.00 C ATOM 420 CG LYS A 29 -31.223 24.219 13.756 1.00 0.00 C ATOM 421 CD LYS A 29 -30.108 23.233 13.341 1.00 0.00 C ATOM 422 CE LYS A 29 -28.835 24.026 12.976 1.00 0.00 C ATOM 423 NZ LYS A 29 -27.930 23.195 12.127 1.00 0.00 N ATOM 0 H LYS A 29 -34.792 22.778 14.831 1.00 0.00 H new ATOM 0 HA LYS A 29 -33.528 25.196 14.798 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -32.524 22.822 14.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -32.717 22.797 13.061 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -31.327 25.002 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -30.958 24.709 14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -29.898 22.540 14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -30.434 22.635 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -29.107 24.938 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -28.315 24.329 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -26.993 23.133 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -28.329 22.240 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -27.836 23.632 11.188 1.00 0.00 H new ATOM 437 N TRP A 30 -34.481 24.527 11.728 1.00 0.00 N ATOM 438 CA TRP A 30 -34.691 25.192 10.403 1.00 0.00 C ATOM 439 C TRP A 30 -36.201 25.369 10.105 1.00 0.00 C ATOM 440 O TRP A 30 -36.614 25.217 8.971 1.00 0.00 O ATOM 441 CB TRP A 30 -34.051 24.328 9.321 1.00 0.00 C ATOM 442 CG TRP A 30 -32.525 24.330 9.343 1.00 0.00 C ATOM 443 CD1 TRP A 30 -31.743 23.798 10.308 1.00 0.00 C ATOM 444 CD2 TRP A 30 -31.645 24.830 8.429 1.00 0.00 C ATOM 445 NE1 TRP A 30 -30.464 23.929 10.070 1.00 0.00 N ATOM 446 CE2 TRP A 30 -30.364 24.561 8.924 1.00 0.00 C ATOM 447 CE3 TRP A 30 -31.817 25.475 7.223 1.00 0.00 C ATOM 448 CZ2 TRP A 30 -29.257 24.967 8.173 1.00 0.00 C ATOM 449 CZ3 TRP A 30 -30.719 25.874 6.486 1.00 0.00 C ATOM 450 CH2 TRP A 30 -29.440 25.624 6.953 1.00 0.00 C ATOM 0 H TRP A 30 -34.805 23.562 11.789 1.00 0.00 H new ATOM 0 HA TRP A 30 -34.233 26.181 10.421 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -34.404 23.303 9.434 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -34.390 24.676 8.345 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -32.136 23.312 11.189 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.696 23.604 10.658 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.813 25.669 6.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -28.259 24.773 8.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -30.859 26.382 5.543 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -28.583 25.937 6.374 1.00 0.00 H new ATOM 461 N ALA A 31 -36.964 25.675 11.126 1.00 0.00 N ATOM 462 CA ALA A 31 -38.451 25.891 11.052 1.00 0.00 C ATOM 463 C ALA A 31 -38.924 26.766 9.893 1.00 0.00 C ATOM 464 O ALA A 31 -39.352 27.892 10.067 1.00 0.00 O ATOM 465 CB ALA A 31 -38.904 26.500 12.395 1.00 0.00 C ATOM 0 H ALA A 31 -36.592 25.791 12.069 1.00 0.00 H new ATOM 0 HA ALA A 31 -38.905 24.919 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -39.981 26.669 12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -38.661 25.814 13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -38.391 27.448 12.556 1.00 0.00 H new ATOM 471 N GLY A 32 -38.827 26.185 8.731 1.00 0.00 N ATOM 472 CA GLY A 32 -39.246 26.905 7.496 1.00 0.00 C ATOM 473 C GLY A 32 -38.037 27.029 6.588 1.00 0.00 C ATOM 474 O GLY A 32 -38.145 27.131 5.386 1.00 0.00 O ATOM 0 H GLY A 32 -38.475 25.239 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -40.046 26.362 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -39.637 27.891 7.745 1.00 0.00 H new ATOM 478 N LYS A 33 -36.892 26.992 7.207 1.00 0.00 N ATOM 479 CA LYS A 33 -35.598 27.095 6.468 1.00 0.00 C ATOM 480 C LYS A 33 -35.331 25.700 5.875 1.00 0.00 C ATOM 481 O LYS A 33 -34.383 25.500 5.146 1.00 0.00 O ATOM 482 CB LYS A 33 -34.484 27.491 7.469 1.00 0.00 C ATOM 483 CG LYS A 33 -34.754 28.893 8.045 1.00 0.00 C ATOM 484 CD LYS A 33 -34.464 29.979 6.967 1.00 0.00 C ATOM 485 CE LYS A 33 -33.514 31.052 7.536 1.00 0.00 C ATOM 486 NZ LYS A 33 -32.091 30.684 7.277 1.00 0.00 N ATOM 0 H LYS A 33 -36.794 26.892 8.217 1.00 0.00 H new ATOM 0 HA LYS A 33 -35.625 27.847 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -34.437 26.762 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -33.515 27.476 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -35.790 28.965 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -34.127 29.062 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -34.018 29.518 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -35.397 30.442 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -33.734 32.018 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -33.678 31.159 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -31.466 31.418 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -31.880 29.772 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -31.934 30.605 6.252 1.00 0.00 H new ATOM 500 N ARG A 34 -36.205 24.788 6.220 1.00 0.00 N ATOM 501 CA ARG A 34 -36.180 23.359 5.778 1.00 0.00 C ATOM 502 C ARG A 34 -35.512 23.177 4.405 1.00 0.00 C ATOM 503 O ARG A 34 -34.428 22.633 4.320 1.00 0.00 O ATOM 504 CB ARG A 34 -37.691 22.898 5.808 1.00 0.00 C ATOM 505 CG ARG A 34 -38.108 21.859 4.725 1.00 0.00 C ATOM 506 CD ARG A 34 -37.271 20.557 4.819 1.00 0.00 C ATOM 507 NE ARG A 34 -37.525 19.638 3.660 1.00 0.00 N ATOM 508 CZ ARG A 34 -38.204 20.026 2.617 1.00 0.00 C ATOM 509 NH1 ARG A 34 -39.505 19.999 2.673 1.00 0.00 N ATOM 510 NH2 ARG A 34 -37.543 20.424 1.568 1.00 0.00 N ATOM 0 H ARG A 34 -36.991 24.996 6.836 1.00 0.00 H new ATOM 0 HA ARG A 34 -35.569 22.740 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -37.902 22.475 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -38.322 23.780 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -39.165 21.620 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -37.986 22.298 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -36.211 20.810 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -37.508 20.041 5.749 1.00 0.00 H new ATOM 0 HE ARG A 34 -37.158 18.687 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -39.972 19.679 3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -40.056 20.298 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -36.523 20.426 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -38.045 20.734 0.736 1.00 0.00 H new ATOM 524 N GLY A 35 -36.165 23.635 3.368 1.00 0.00 N ATOM 525 CA GLY A 35 -35.619 23.520 1.969 1.00 0.00 C ATOM 526 C GLY A 35 -34.106 23.768 1.896 1.00 0.00 C ATOM 527 O GLY A 35 -33.394 23.172 1.111 1.00 0.00 O ATOM 0 H GLY A 35 -37.074 24.095 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -35.838 22.526 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -36.131 24.235 1.325 1.00 0.00 H new ATOM 531 N LYS A 36 -33.681 24.657 2.750 1.00 0.00 N ATOM 532 CA LYS A 36 -32.250 25.051 2.842 1.00 0.00 C ATOM 533 C LYS A 36 -31.510 24.183 3.875 1.00 0.00 C ATOM 534 O LYS A 36 -30.329 23.958 3.686 1.00 0.00 O ATOM 535 CB LYS A 36 -32.228 26.556 3.210 1.00 0.00 C ATOM 536 CG LYS A 36 -30.879 27.225 2.834 1.00 0.00 C ATOM 537 CD LYS A 36 -31.110 28.732 2.527 1.00 0.00 C ATOM 538 CE LYS A 36 -31.476 29.515 3.818 1.00 0.00 C ATOM 539 NZ LYS A 36 -32.592 30.473 3.551 1.00 0.00 N ATOM 0 H LYS A 36 -34.289 25.142 3.410 1.00 0.00 H new ATOM 0 HA LYS A 36 -31.729 24.892 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -33.042 27.067 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -32.404 26.671 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.167 27.115 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -30.445 26.729 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.211 29.158 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -31.910 28.839 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -31.768 28.817 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -30.603 30.057 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -32.824 30.988 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -32.300 31.150 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -33.429 29.949 3.226 1.00 0.00 H new ATOM 553 N CYS A 37 -32.179 23.717 4.916 1.00 0.00 N ATOM 554 CA CYS A 37 -31.455 22.853 5.936 1.00 0.00 C ATOM 555 C CYS A 37 -30.850 21.709 5.152 1.00 0.00 C ATOM 556 O CYS A 37 -29.739 21.256 5.366 1.00 0.00 O ATOM 557 CB CYS A 37 -32.428 22.247 7.043 1.00 0.00 C ATOM 558 SG CYS A 37 -32.771 20.470 7.098 1.00 0.00 S ATOM 0 H CYS A 37 -33.167 23.888 5.105 1.00 0.00 H new ATOM 0 HA CYS A 37 -30.720 23.460 6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -32.021 22.526 8.015 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -33.387 22.756 6.941 1.00 0.00 H new ATOM 563 N ALA A 38 -31.665 21.291 4.227 1.00 0.00 N ATOM 564 CA ALA A 38 -31.267 20.179 3.340 1.00 0.00 C ATOM 565 C ALA A 38 -29.956 20.507 2.610 1.00 0.00 C ATOM 566 O ALA A 38 -28.936 19.901 2.877 1.00 0.00 O ATOM 567 CB ALA A 38 -32.414 19.930 2.340 1.00 0.00 C ATOM 0 H ALA A 38 -32.593 21.677 4.051 1.00 0.00 H new ATOM 0 HA ALA A 38 -31.088 19.278 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -32.144 19.112 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -33.321 19.669 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -32.589 20.833 1.755 1.00 0.00 H new ATOM 573 N ALA A 39 -30.031 21.453 1.705 1.00 0.00 N ATOM 574 CA ALA A 39 -28.822 21.880 0.921 1.00 0.00 C ATOM 575 C ALA A 39 -27.618 21.989 1.860 1.00 0.00 C ATOM 576 O ALA A 39 -26.592 21.356 1.686 1.00 0.00 O ATOM 577 CB ALA A 39 -29.099 23.241 0.281 1.00 0.00 C ATOM 0 H ALA A 39 -30.888 21.955 1.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.606 21.146 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -28.227 23.559 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -29.959 23.162 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -29.309 23.974 1.060 1.00 0.00 H new ATOM 583 N HIS A 40 -27.845 22.830 2.836 1.00 0.00 N ATOM 584 CA HIS A 40 -26.838 23.123 3.895 1.00 0.00 C ATOM 585 C HIS A 40 -26.100 21.869 4.347 1.00 0.00 C ATOM 586 O HIS A 40 -24.894 21.757 4.273 1.00 0.00 O ATOM 587 CB HIS A 40 -27.552 23.740 5.105 1.00 0.00 C ATOM 588 CG HIS A 40 -26.531 24.121 6.195 1.00 0.00 C ATOM 589 ND1 HIS A 40 -25.866 23.213 6.849 1.00 0.00 N ATOM 590 CD2 HIS A 40 -26.165 25.374 6.633 1.00 0.00 C ATOM 591 CE1 HIS A 40 -25.133 23.943 7.646 1.00 0.00 C ATOM 592 NE2 HIS A 40 -25.263 25.243 7.568 1.00 0.00 N ATOM 0 H HIS A 40 -28.720 23.343 2.944 1.00 0.00 H new ATOM 0 HA HIS A 40 -26.105 23.813 3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -28.109 24.624 4.795 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -28.276 23.032 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -26.559 26.310 6.264 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -24.444 23.490 8.344 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -24.783 25.968 8.101 1.00 0.00 H new ATOM 600 N CYS A 41 -26.905 20.948 4.799 1.00 0.00 N ATOM 601 CA CYS A 41 -26.386 19.655 5.305 1.00 0.00 C ATOM 602 C CYS A 41 -25.886 18.748 4.195 1.00 0.00 C ATOM 603 O CYS A 41 -25.066 17.887 4.439 1.00 0.00 O ATOM 604 CB CYS A 41 -27.528 19.003 6.083 1.00 0.00 C ATOM 605 SG CYS A 41 -28.056 19.777 7.633 1.00 0.00 S ATOM 0 H CYS A 41 -27.920 21.043 4.838 1.00 0.00 H new ATOM 0 HA CYS A 41 -25.518 19.827 5.942 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -28.394 18.953 5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -27.236 17.977 6.305 1.00 0.00 H new ATOM 610 N ILE A 42 -26.345 18.924 2.990 1.00 0.00 N ATOM 611 CA ILE A 42 -25.844 18.011 1.915 1.00 0.00 C ATOM 612 C ILE A 42 -24.366 18.307 1.610 1.00 0.00 C ATOM 613 O ILE A 42 -23.547 17.407 1.507 1.00 0.00 O ATOM 614 CB ILE A 42 -26.780 18.223 0.669 1.00 0.00 C ATOM 615 CG1 ILE A 42 -27.141 16.845 0.055 1.00 0.00 C ATOM 616 CG2 ILE A 42 -26.114 19.090 -0.424 1.00 0.00 C ATOM 617 CD1 ILE A 42 -28.259 17.003 -1.008 1.00 0.00 C ATOM 0 H ILE A 42 -27.021 19.632 2.703 1.00 0.00 H new ATOM 0 HA ILE A 42 -25.879 16.965 2.219 1.00 0.00 H new ATOM 0 HB ILE A 42 -27.672 18.743 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -26.257 16.400 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -27.471 16.165 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -26.800 19.207 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -25.872 20.070 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -25.200 18.604 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -28.501 16.027 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -29.148 17.427 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -27.915 17.666 -1.802 1.00 0.00 H new ATOM 629 N ILE A 43 -24.076 19.583 1.486 1.00 0.00 N ATOM 630 CA ILE A 43 -22.681 20.019 1.186 1.00 0.00 C ATOM 631 C ILE A 43 -21.711 19.245 2.071 1.00 0.00 C ATOM 632 O ILE A 43 -20.615 18.911 1.674 1.00 0.00 O ATOM 633 CB ILE A 43 -22.523 21.543 1.460 1.00 0.00 C ATOM 634 CG1 ILE A 43 -23.634 22.371 0.755 1.00 0.00 C ATOM 635 CG2 ILE A 43 -21.163 22.009 0.905 1.00 0.00 C ATOM 636 CD1 ILE A 43 -23.910 23.651 1.570 1.00 0.00 C ATOM 0 H ILE A 43 -24.752 20.341 1.581 1.00 0.00 H new ATOM 0 HA ILE A 43 -22.465 19.823 0.136 1.00 0.00 H new ATOM 0 HB ILE A 43 -22.595 21.700 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -23.323 22.630 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -24.545 21.779 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -21.040 23.076 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -20.361 21.460 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -21.124 21.821 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -24.689 24.234 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -24.238 23.380 2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -22.998 24.245 1.635 1.00 0.00 H new ATOM 648 N GLN A 44 -22.162 18.968 3.261 1.00 0.00 N ATOM 649 CA GLN A 44 -21.285 18.222 4.206 1.00 0.00 C ATOM 650 C GLN A 44 -20.888 16.866 3.598 1.00 0.00 C ATOM 651 O GLN A 44 -19.733 16.665 3.262 1.00 0.00 O ATOM 652 CB GLN A 44 -22.071 18.077 5.541 1.00 0.00 C ATOM 653 CG GLN A 44 -21.778 19.311 6.439 1.00 0.00 C ATOM 654 CD GLN A 44 -22.636 20.524 6.014 1.00 0.00 C ATOM 655 OE1 GLN A 44 -23.497 20.979 6.736 1.00 0.00 O ATOM 656 NE2 GLN A 44 -22.449 21.083 4.860 1.00 0.00 N ATOM 0 H GLN A 44 -23.084 19.220 3.617 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.352 18.751 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -23.140 18.002 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.777 17.161 6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.983 19.064 7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.721 19.569 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.732 20.724 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.019 21.882 4.582 1.00 0.00 H new ATOM 665 N LYS A 45 -21.838 15.978 3.459 1.00 0.00 N ATOM 666 CA LYS A 45 -21.545 14.627 2.879 1.00 0.00 C ATOM 667 C LYS A 45 -20.797 14.708 1.552 1.00 0.00 C ATOM 668 O LYS A 45 -19.963 13.875 1.255 1.00 0.00 O ATOM 669 CB LYS A 45 -22.884 13.844 2.681 1.00 0.00 C ATOM 670 CG LYS A 45 -23.820 14.378 1.543 1.00 0.00 C ATOM 671 CD LYS A 45 -24.182 13.222 0.561 1.00 0.00 C ATOM 672 CE LYS A 45 -25.681 13.242 0.145 1.00 0.00 C ATOM 673 NZ LYS A 45 -25.836 13.771 -1.243 1.00 0.00 N ATOM 0 H LYS A 45 -22.812 16.129 3.723 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.897 14.104 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.646 12.801 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.437 13.863 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.729 14.796 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.324 15.184 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.560 13.299 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.951 12.265 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.093 12.235 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -26.249 13.860 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.709 14.333 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.020 14.371 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.887 12.977 -1.913 1.00 0.00 H new ATOM 687 N ASN A 46 -21.114 15.732 0.803 1.00 0.00 N ATOM 688 CA ASN A 46 -20.465 15.930 -0.532 1.00 0.00 C ATOM 689 C ASN A 46 -19.133 16.669 -0.480 1.00 0.00 C ATOM 690 O ASN A 46 -18.365 16.568 -1.414 1.00 0.00 O ATOM 691 CB ASN A 46 -21.426 16.716 -1.451 1.00 0.00 C ATOM 692 CG ASN A 46 -22.370 15.769 -2.197 1.00 0.00 C ATOM 693 OD1 ASN A 46 -23.468 15.481 -1.763 1.00 0.00 O ATOM 694 ND2 ASN A 46 -21.995 15.257 -3.332 1.00 0.00 N ATOM 0 H ASN A 46 -21.798 16.444 1.058 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.255 14.932 -0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.007 17.421 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.851 17.302 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.618 14.628 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.078 15.484 -3.716 1.00 0.00 H new ATOM 701 N ASN A 47 -18.860 17.390 0.573 1.00 0.00 N ATOM 702 CA ASN A 47 -17.549 18.118 0.630 1.00 0.00 C ATOM 703 C ASN A 47 -16.562 17.071 1.138 1.00 0.00 C ATOM 704 O ASN A 47 -15.442 16.976 0.683 1.00 0.00 O ATOM 705 CB ASN A 47 -17.670 19.309 1.603 1.00 0.00 C ATOM 706 CG ASN A 47 -16.269 19.823 1.942 1.00 0.00 C ATOM 707 OD1 ASN A 47 -15.652 20.548 1.192 1.00 0.00 O ATOM 708 ND2 ASN A 47 -15.715 19.486 3.065 1.00 0.00 N ATOM 0 H ASN A 47 -19.469 17.509 1.382 1.00 0.00 H new ATOM 0 HA ASN A 47 -17.233 18.531 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -18.263 20.104 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -18.188 19.001 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.783 19.830 3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -16.211 18.877 3.716 1.00 0.00 H new ATOM 715 N CYS A 48 -17.036 16.309 2.086 1.00 0.00 N ATOM 716 CA CYS A 48 -16.239 15.202 2.718 1.00 0.00 C ATOM 717 C CYS A 48 -15.474 14.418 1.611 1.00 0.00 C ATOM 718 O CYS A 48 -14.285 14.138 1.655 1.00 0.00 O ATOM 719 CB CYS A 48 -17.257 14.319 3.447 1.00 0.00 C ATOM 720 SG CYS A 48 -16.871 13.629 5.073 1.00 0.00 S ATOM 0 H CYS A 48 -17.977 16.408 2.466 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.488 15.569 3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.172 14.902 3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.488 13.482 2.788 1.00 0.00 H new ATOM 725 N LYS A 49 -16.273 14.105 0.621 1.00 0.00 N ATOM 726 CA LYS A 49 -15.847 13.348 -0.599 1.00 0.00 C ATOM 727 C LYS A 49 -14.602 13.924 -1.304 1.00 0.00 C ATOM 728 O LYS A 49 -13.891 13.202 -1.973 1.00 0.00 O ATOM 729 CB LYS A 49 -17.030 13.317 -1.614 1.00 0.00 C ATOM 730 CG LYS A 49 -18.076 12.227 -1.238 1.00 0.00 C ATOM 731 CD LYS A 49 -17.720 10.865 -1.915 1.00 0.00 C ATOM 732 CE LYS A 49 -18.791 10.453 -2.958 1.00 0.00 C ATOM 733 NZ LYS A 49 -18.550 11.142 -4.261 1.00 0.00 N ATOM 0 H LYS A 49 -17.261 14.359 0.611 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.573 12.350 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.514 14.293 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.646 13.124 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.107 12.104 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.070 12.546 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.748 10.942 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.635 10.090 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.769 9.373 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.784 10.705 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.277 10.853 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.594 12.172 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.611 10.881 -4.623 1.00 0.00 H new ATOM 747 N GLY A 50 -14.377 15.201 -1.135 1.00 0.00 N ATOM 748 CA GLY A 50 -13.196 15.879 -1.775 1.00 0.00 C ATOM 749 C GLY A 50 -12.200 16.358 -0.723 1.00 0.00 C ATOM 750 O GLY A 50 -11.374 17.220 -0.965 1.00 0.00 O ATOM 0 H GLY A 50 -14.966 15.816 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.703 15.188 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.538 16.727 -2.369 1.00 0.00 H new ATOM 754 N LYS A 51 -12.342 15.755 0.424 1.00 0.00 N ATOM 755 CA LYS A 51 -11.470 16.063 1.591 1.00 0.00 C ATOM 756 C LYS A 51 -10.682 14.772 1.791 1.00 0.00 C ATOM 757 O LYS A 51 -9.466 14.767 1.723 1.00 0.00 O ATOM 758 CB LYS A 51 -12.395 16.431 2.817 1.00 0.00 C ATOM 759 CG LYS A 51 -12.168 15.566 4.106 1.00 0.00 C ATOM 760 CD LYS A 51 -13.107 16.073 5.221 1.00 0.00 C ATOM 761 CE LYS A 51 -13.932 14.895 5.746 1.00 0.00 C ATOM 762 NZ LYS A 51 -15.067 15.397 6.561 1.00 0.00 N ATOM 0 H LYS A 51 -13.047 15.041 0.605 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.795 16.909 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.237 17.479 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.436 16.331 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.367 14.515 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.129 15.635 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.527 16.517 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.765 16.852 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.306 14.301 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.303 14.239 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.964 15.065 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.071 16.437 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.961 15.042 6.167 1.00 0.00 H new ATOM 776 N CYS A 52 -11.419 13.719 2.037 1.00 0.00 N ATOM 777 CA CYS A 52 -10.787 12.389 2.251 1.00 0.00 C ATOM 778 C CYS A 52 -10.883 11.497 1.020 1.00 0.00 C ATOM 779 O CYS A 52 -9.950 10.774 0.731 1.00 0.00 O ATOM 780 CB CYS A 52 -11.461 11.697 3.447 1.00 0.00 C ATOM 781 SG CYS A 52 -10.367 11.349 4.847 1.00 0.00 S ATOM 0 H CYS A 52 -12.437 13.727 2.098 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.728 12.551 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.282 12.324 3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.898 10.759 3.105 1.00 0.00 H new ATOM 786 N LYS A 53 -11.988 11.557 0.325 1.00 0.00 N ATOM 787 CA LYS A 53 -12.094 10.680 -0.879 1.00 0.00 C ATOM 788 C LYS A 53 -11.561 11.394 -2.109 1.00 0.00 C ATOM 789 O LYS A 53 -11.104 12.518 -2.047 1.00 0.00 O ATOM 790 CB LYS A 53 -13.584 10.259 -1.073 1.00 0.00 C ATOM 791 CG LYS A 53 -13.855 8.991 -0.222 1.00 0.00 C ATOM 792 CD LYS A 53 -14.998 8.138 -0.822 1.00 0.00 C ATOM 793 CE LYS A 53 -15.579 7.208 0.274 1.00 0.00 C ATOM 794 NZ LYS A 53 -14.493 6.491 1.010 1.00 0.00 N ATOM 0 H LYS A 53 -12.793 12.150 0.526 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.489 9.785 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.248 11.068 -0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.787 10.059 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.946 8.392 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.114 9.283 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.781 8.786 -1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.624 7.545 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.171 7.795 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.253 6.482 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.861 5.592 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.702 6.300 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.160 7.081 1.799 1.00 0.00 H new ATOM 808 N LYS A 54 -11.628 10.698 -3.207 1.00 0.00 N ATOM 809 CA LYS A 54 -11.138 11.246 -4.499 1.00 0.00 C ATOM 810 C LYS A 54 -12.289 11.284 -5.504 1.00 0.00 C ATOM 811 O LYS A 54 -13.357 10.771 -5.232 1.00 0.00 O ATOM 812 CB LYS A 54 -10.001 10.331 -4.973 1.00 0.00 C ATOM 813 CG LYS A 54 -8.897 10.184 -3.882 1.00 0.00 C ATOM 814 CD LYS A 54 -8.468 8.703 -3.750 1.00 0.00 C ATOM 815 CE LYS A 54 -7.417 8.357 -4.827 1.00 0.00 C ATOM 816 NZ LYS A 54 -8.045 8.331 -6.178 1.00 0.00 N ATOM 0 H LYS A 54 -12.009 9.754 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.767 12.266 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.402 9.348 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.562 10.736 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.035 10.798 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.271 10.548 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.056 8.523 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.337 8.054 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.612 9.092 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.969 7.388 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.481 7.729 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.010 7.949 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.083 9.297 -6.562 1.00 0.00 H new ATOM 830 N GLU A 55 -12.029 11.887 -6.635 1.00 0.00 N ATOM 831 CA GLU A 55 -13.064 12.000 -7.713 1.00 0.00 C ATOM 832 C GLU A 55 -12.480 11.558 -9.067 1.00 0.00 C ATOM 833 O GLU A 55 -13.259 11.057 -9.860 1.00 0.00 O ATOM 834 CB GLU A 55 -13.568 13.479 -7.787 1.00 0.00 C ATOM 835 CG GLU A 55 -12.463 14.501 -8.180 1.00 0.00 C ATOM 836 CD GLU A 55 -11.422 14.623 -7.055 1.00 0.00 C ATOM 837 OE1 GLU A 55 -11.757 15.245 -6.060 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.347 14.076 -7.259 1.00 0.00 O ATOM 839 OXT GLU A 55 -11.284 11.747 -9.230 1.00 0.00 O ATOM 0 H GLU A 55 -11.131 12.313 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.904 11.345 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.380 13.540 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.982 13.761 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.976 14.183 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.912 15.475 -8.376 1.00 0.00 H new TER 846 GLU A 55