USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl 175:sc= -1.54 (180deg=-1.47) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc=-0.00701 (180deg=-0.779) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 30:sc= 1.07 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0.754 USER MOD Single : A 59 TYR OH : rot -103:sc= 0.0204 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -169:sc= 0 (180deg=-0.0881) USER MOD Single : A 72 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 0.976 3.893 18.501 1.00 0.00 N ATOM 2 CA GLY A 19 2.056 3.036 17.966 1.00 0.00 C ATOM 3 C GLY A 19 1.603 1.589 17.901 1.00 0.00 C ATOM 4 O GLY A 19 1.795 0.836 18.856 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.342 3.379 16.972 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.940 3.118 18.598 1.00 0.00 H new ATOM 10 N ASP A 20 0.981 1.193 16.788 1.00 0.00 N ATOM 11 CA ASP A 20 0.355 -0.123 16.569 1.00 0.00 C ATOM 12 C ASP A 20 0.606 -0.630 15.132 1.00 0.00 C ATOM 13 O ASP A 20 1.093 0.117 14.279 1.00 0.00 O ATOM 14 CB ASP A 20 -1.157 -0.017 16.848 1.00 0.00 C ATOM 15 CG ASP A 20 -1.474 0.340 18.311 1.00 0.00 C ATOM 16 OD1 ASP A 20 -1.565 1.548 18.639 1.00 0.00 O ATOM 17 OD2 ASP A 20 -1.653 -0.592 19.133 1.00 0.00 O ATOM 0 H ASP A 20 0.893 1.804 15.976 1.00 0.00 H new ATOM 0 HA ASP A 20 0.803 -0.844 17.253 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.590 0.739 16.193 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.634 -0.965 16.599 1.00 0.00 H new ATOM 22 N LYS A 21 0.250 -1.897 14.856 1.00 0.00 N ATOM 23 CA LYS A 21 0.382 -2.581 13.547 1.00 0.00 C ATOM 24 C LYS A 21 1.775 -2.406 12.908 1.00 0.00 C ATOM 25 O LYS A 21 1.911 -2.080 11.728 1.00 0.00 O ATOM 26 CB LYS A 21 -0.774 -2.163 12.606 1.00 0.00 C ATOM 27 CG LYS A 21 -2.195 -2.314 13.180 1.00 0.00 C ATOM 28 CD LYS A 21 -2.557 -3.759 13.556 1.00 0.00 C ATOM 29 CE LYS A 21 -4.046 -3.912 13.906 1.00 0.00 C ATOM 30 NZ LYS A 21 -4.413 -3.221 15.173 1.00 0.00 N ATOM 0 H LYS A 21 -0.156 -2.504 15.568 1.00 0.00 H new ATOM 0 HA LYS A 21 0.297 -3.653 13.724 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.627 -1.121 12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.707 -2.755 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.290 -1.683 14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.914 -1.947 12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.311 -4.421 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.951 -4.074 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.649 -3.512 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.288 -4.971 13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.427 -3.356 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.859 -3.619 15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.210 -2.205 15.086 1.00 0.00 H new ATOM 44 N GLU A 22 2.823 -2.616 13.712 1.00 0.00 N ATOM 45 CA GLU A 22 4.235 -2.460 13.341 1.00 0.00 C ATOM 46 C GLU A 22 4.672 -3.394 12.192 1.00 0.00 C ATOM 47 O GLU A 22 5.477 -3.007 11.342 1.00 0.00 O ATOM 48 CB GLU A 22 5.073 -2.701 14.606 1.00 0.00 C ATOM 49 CG GLU A 22 6.526 -2.263 14.425 1.00 0.00 C ATOM 50 CD GLU A 22 7.333 -2.439 15.725 1.00 0.00 C ATOM 51 OE1 GLU A 22 7.910 -3.532 15.945 1.00 0.00 O ATOM 52 OE2 GLU A 22 7.407 -1.482 16.536 1.00 0.00 O ATOM 0 H GLU A 22 2.706 -2.912 14.681 1.00 0.00 H new ATOM 0 HA GLU A 22 4.390 -1.452 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.632 -2.157 15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.043 -3.760 14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.987 -2.846 13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.557 -1.219 14.115 1.00 0.00 H new ATOM 59 N GLU A 23 4.105 -4.602 12.132 1.00 0.00 N ATOM 60 CA GLU A 23 4.213 -5.544 11.008 1.00 0.00 C ATOM 61 C GLU A 23 2.896 -5.599 10.210 1.00 0.00 C ATOM 62 O GLU A 23 1.819 -5.297 10.735 1.00 0.00 O ATOM 63 CB GLU A 23 4.576 -6.947 11.530 1.00 0.00 C ATOM 64 CG GLU A 23 5.957 -7.002 12.200 1.00 0.00 C ATOM 65 CD GLU A 23 6.303 -8.442 12.625 1.00 0.00 C ATOM 66 OE1 GLU A 23 5.945 -8.853 13.757 1.00 0.00 O ATOM 67 OE2 GLU A 23 6.942 -9.179 11.832 1.00 0.00 O ATOM 0 H GLU A 23 3.535 -4.968 12.894 1.00 0.00 H new ATOM 0 HA GLU A 23 5.002 -5.196 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.819 -7.269 12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.553 -7.654 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.715 -6.629 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.969 -6.348 13.072 1.00 0.00 H new ATOM 74 N CYS A 24 2.973 -6.027 8.947 1.00 0.00 N ATOM 75 CA CYS A 24 1.827 -6.207 8.050 1.00 0.00 C ATOM 76 C CYS A 24 1.984 -7.480 7.196 1.00 0.00 C ATOM 77 O CYS A 24 3.094 -7.818 6.771 1.00 0.00 O ATOM 78 CB CYS A 24 1.682 -4.944 7.186 1.00 0.00 C ATOM 79 SG CYS A 24 0.179 -4.853 6.172 1.00 0.00 S ATOM 0 H CYS A 24 3.862 -6.265 8.506 1.00 0.00 H new ATOM 0 HA CYS A 24 0.916 -6.344 8.633 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.710 -4.073 7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.548 -4.875 6.527 1.00 0.00 H new ATOM 84 N THR A 25 0.875 -8.179 6.937 1.00 0.00 N ATOM 85 CA THR A 25 0.834 -9.537 6.353 1.00 0.00 C ATOM 86 C THR A 25 -0.190 -9.613 5.214 1.00 0.00 C ATOM 87 O THR A 25 -1.230 -8.951 5.260 1.00 0.00 O ATOM 88 CB THR A 25 0.498 -10.568 7.452 1.00 0.00 C ATOM 89 OG1 THR A 25 1.392 -10.441 8.543 1.00 0.00 O ATOM 90 CG2 THR A 25 0.588 -12.023 6.987 1.00 0.00 C ATOM 0 H THR A 25 -0.055 -7.808 7.132 1.00 0.00 H new ATOM 0 HA THR A 25 1.815 -9.767 5.937 1.00 0.00 H new ATOM 0 HB THR A 25 -0.533 -10.348 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.164 -11.100 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.338 -12.686 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.111 -12.187 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.602 -12.234 6.647 1.00 0.00 H new ATOM 98 N VAL A 26 0.097 -10.422 4.188 1.00 0.00 N ATOM 99 CA VAL A 26 -0.688 -10.521 2.941 1.00 0.00 C ATOM 100 C VAL A 26 -1.627 -11.747 2.920 1.00 0.00 C ATOM 101 O VAL A 26 -1.348 -12.739 3.603 1.00 0.00 O ATOM 102 CB VAL A 26 0.248 -10.521 1.709 1.00 0.00 C ATOM 103 CG1 VAL A 26 1.147 -9.275 1.691 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.145 -11.764 1.619 1.00 0.00 C ATOM 0 H VAL A 26 0.904 -11.046 4.197 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.329 -9.640 2.899 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.421 -10.523 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.793 -9.305 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.527 -8.379 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.760 -9.256 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.774 -11.695 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.775 -11.823 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.524 -12.657 1.555 1.00 0.00 H new ATOM 114 N PRO A 27 -2.722 -11.727 2.131 1.00 0.00 N ATOM 115 CA PRO A 27 -3.582 -12.893 1.914 1.00 0.00 C ATOM 116 C PRO A 27 -2.887 -13.990 1.086 1.00 0.00 C ATOM 117 O PRO A 27 -1.957 -13.731 0.316 1.00 0.00 O ATOM 118 CB PRO A 27 -4.833 -12.350 1.209 1.00 0.00 C ATOM 119 CG PRO A 27 -4.336 -11.098 0.488 1.00 0.00 C ATOM 120 CD PRO A 27 -3.248 -10.575 1.416 1.00 0.00 C ATOM 0 HA PRO A 27 -3.830 -13.379 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.244 -13.077 0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.622 -12.113 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.944 -11.332 -0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.134 -10.368 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.461 -10.079 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.652 -9.839 2.111 1.00 0.00 H new ATOM 128 N ILE A 28 -3.362 -15.232 1.227 1.00 0.00 N ATOM 129 CA ILE A 28 -2.826 -16.418 0.545 1.00 0.00 C ATOM 130 C ILE A 28 -3.058 -16.314 -0.974 1.00 0.00 C ATOM 131 O ILE A 28 -4.134 -15.920 -1.431 1.00 0.00 O ATOM 132 CB ILE A 28 -3.430 -17.721 1.131 1.00 0.00 C ATOM 133 CG1 ILE A 28 -3.166 -17.886 2.652 1.00 0.00 C ATOM 134 CG2 ILE A 28 -2.843 -18.960 0.424 1.00 0.00 C ATOM 135 CD1 ILE A 28 -4.203 -17.224 3.571 1.00 0.00 C ATOM 0 H ILE A 28 -4.152 -15.447 1.835 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.750 -16.459 0.717 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.505 -17.642 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.125 -18.950 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.184 -17.472 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.280 -19.863 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.072 -18.914 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.762 -18.980 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.929 -17.396 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.231 -16.152 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.186 -17.653 3.379 1.00 0.00 H new ATOM 147 N GLY A 29 -2.041 -16.679 -1.760 1.00 0.00 N ATOM 148 CA GLY A 29 -2.069 -16.722 -3.230 1.00 0.00 C ATOM 149 C GLY A 29 -1.874 -15.374 -3.942 1.00 0.00 C ATOM 150 O GLY A 29 -1.803 -15.344 -5.174 1.00 0.00 O ATOM 0 H GLY A 29 -1.139 -16.964 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.292 -17.407 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.024 -17.143 -3.544 1.00 0.00 H new ATOM 154 N TRP A 30 -1.788 -14.261 -3.204 1.00 0.00 N ATOM 155 CA TRP A 30 -1.548 -12.915 -3.739 1.00 0.00 C ATOM 156 C TRP A 30 -0.086 -12.696 -4.194 1.00 0.00 C ATOM 157 O TRP A 30 0.785 -13.538 -3.956 1.00 0.00 O ATOM 158 CB TRP A 30 -1.983 -11.898 -2.673 1.00 0.00 C ATOM 159 CG TRP A 30 -2.566 -10.631 -3.215 1.00 0.00 C ATOM 160 CD1 TRP A 30 -3.819 -10.508 -3.705 1.00 0.00 C ATOM 161 CD2 TRP A 30 -1.953 -9.313 -3.343 1.00 0.00 C ATOM 162 NE1 TRP A 30 -4.022 -9.209 -4.135 1.00 0.00 N ATOM 163 CE2 TRP A 30 -2.902 -8.429 -3.939 1.00 0.00 C ATOM 164 CE3 TRP A 30 -0.691 -8.778 -3.015 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -2.609 -7.083 -4.205 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -0.382 -7.430 -3.286 1.00 0.00 C ATOM 167 CH2 TRP A 30 -1.336 -6.584 -3.883 1.00 0.00 C ATOM 0 H TRP A 30 -1.886 -14.272 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.139 -12.781 -4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.718 -12.369 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.120 -11.649 -2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.550 -11.302 -3.754 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.892 -8.870 -4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.050 -9.410 -2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.352 -6.439 -4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.594 -7.043 -3.034 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.090 -5.554 -4.093 1.00 0.00 H new ATOM 178 N SER A 31 0.199 -11.555 -4.834 1.00 0.00 N ATOM 179 CA SER A 31 1.507 -11.217 -5.423 1.00 0.00 C ATOM 180 C SER A 31 2.145 -10.006 -4.723 1.00 0.00 C ATOM 181 O SER A 31 2.045 -8.858 -5.163 1.00 0.00 O ATOM 182 CB SER A 31 1.364 -11.026 -6.936 1.00 0.00 C ATOM 183 OG SER A 31 2.632 -10.991 -7.577 1.00 0.00 O ATOM 0 H SER A 31 -0.493 -10.817 -4.962 1.00 0.00 H new ATOM 0 HA SER A 31 2.195 -12.047 -5.262 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.767 -11.838 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.827 -10.099 -7.138 1.00 0.00 H new ATOM 0 HG SER A 31 2.508 -10.870 -8.541 1.00 0.00 H new ATOM 189 N GLU A 32 2.764 -10.274 -3.574 1.00 0.00 N ATOM 190 CA GLU A 32 3.389 -9.275 -2.692 1.00 0.00 C ATOM 191 C GLU A 32 4.652 -8.598 -3.292 1.00 0.00 C ATOM 192 O GLU A 32 5.338 -9.200 -4.129 1.00 0.00 O ATOM 193 CB GLU A 32 3.697 -9.933 -1.332 1.00 0.00 C ATOM 194 CG GLU A 32 4.809 -10.992 -1.368 1.00 0.00 C ATOM 195 CD GLU A 32 4.982 -11.673 0.005 1.00 0.00 C ATOM 196 OE1 GLU A 32 5.450 -11.012 0.965 1.00 0.00 O ATOM 197 OE2 GLU A 32 4.672 -12.883 0.129 1.00 0.00 O ATOM 0 H GLU A 32 2.850 -11.225 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 32 2.675 -8.461 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.978 -9.155 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.786 -10.396 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.574 -11.744 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.748 -10.526 -1.665 1.00 0.00 H new ATOM 204 N PRO A 33 5.005 -7.369 -2.855 1.00 0.00 N ATOM 205 CA PRO A 33 6.233 -6.674 -3.261 1.00 0.00 C ATOM 206 C PRO A 33 7.491 -7.245 -2.576 1.00 0.00 C ATOM 207 O PRO A 33 7.407 -8.004 -1.606 1.00 0.00 O ATOM 208 CB PRO A 33 5.998 -5.207 -2.872 1.00 0.00 C ATOM 209 CG PRO A 33 5.116 -5.323 -1.631 1.00 0.00 C ATOM 210 CD PRO A 33 4.220 -6.511 -1.978 1.00 0.00 C ATOM 0 HA PRO A 33 6.423 -6.796 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.934 -4.691 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.504 -4.651 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.703 -5.506 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.538 -4.415 -1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.918 -7.047 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.307 -6.179 -2.473 1.00 0.00 H new ATOM 218 N VAL A 34 8.673 -6.841 -3.063 1.00 0.00 N ATOM 219 CA VAL A 34 9.998 -7.346 -2.623 1.00 0.00 C ATOM 220 C VAL A 34 10.994 -6.206 -2.297 1.00 0.00 C ATOM 221 O VAL A 34 12.187 -6.447 -2.101 1.00 0.00 O ATOM 222 CB VAL A 34 10.585 -8.362 -3.645 1.00 0.00 C ATOM 223 CG1 VAL A 34 11.496 -9.395 -2.958 1.00 0.00 C ATOM 224 CG2 VAL A 34 9.524 -9.190 -4.393 1.00 0.00 C ATOM 0 H VAL A 34 8.744 -6.134 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 34 9.837 -7.880 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 34 11.126 -7.729 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.887 -10.088 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.324 -8.882 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.923 -9.948 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.017 -9.873 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.937 -9.762 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.866 -8.522 -4.949 1.00 0.00 H new ATOM 234 N LYS A 35 10.520 -4.952 -2.223 1.00 0.00 N ATOM 235 CA LYS A 35 11.304 -3.727 -1.939 1.00 0.00 C ATOM 236 C LYS A 35 10.654 -2.859 -0.845 1.00 0.00 C ATOM 237 O LYS A 35 9.510 -3.097 -0.451 1.00 0.00 O ATOM 238 CB LYS A 35 11.499 -2.920 -3.241 1.00 0.00 C ATOM 239 CG LYS A 35 12.284 -3.683 -4.325 1.00 0.00 C ATOM 240 CD LYS A 35 12.637 -2.801 -5.534 1.00 0.00 C ATOM 241 CE LYS A 35 11.381 -2.312 -6.267 1.00 0.00 C ATOM 242 NZ LYS A 35 11.710 -1.477 -7.448 1.00 0.00 N ATOM 0 H LYS A 35 9.531 -4.749 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 35 12.277 -4.033 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.522 -2.644 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.023 -1.993 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.201 -4.081 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.695 -4.536 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.221 -1.943 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.265 -3.364 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.790 -3.171 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.762 -1.737 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.831 -1.170 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.251 -0.643 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.279 -2.033 -8.118 1.00 0.00 H new ATOM 256 N GLY A 36 11.377 -1.840 -0.370 1.00 0.00 N ATOM 257 CA GLY A 36 10.952 -0.934 0.715 1.00 0.00 C ATOM 258 C GLY A 36 11.784 0.352 0.853 1.00 0.00 C ATOM 259 O GLY A 36 11.977 0.845 1.965 1.00 0.00 O ATOM 0 H GLY A 36 12.301 -1.612 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.910 -0.659 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.993 -1.478 1.659 1.00 0.00 H new ATOM 263 N LEU A 37 12.318 0.880 -0.256 1.00 0.00 N ATOM 264 CA LEU A 37 13.218 2.040 -0.299 1.00 0.00 C ATOM 265 C LEU A 37 12.417 3.346 -0.448 1.00 0.00 C ATOM 266 O LEU A 37 12.209 3.854 -1.552 1.00 0.00 O ATOM 267 CB LEU A 37 14.264 1.872 -1.424 1.00 0.00 C ATOM 268 CG LEU A 37 15.422 0.903 -1.105 1.00 0.00 C ATOM 269 CD1 LEU A 37 15.010 -0.571 -1.104 1.00 0.00 C ATOM 270 CD2 LEU A 37 16.524 1.071 -2.153 1.00 0.00 C ATOM 0 H LEU A 37 12.128 0.497 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 37 13.759 2.099 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.755 1.522 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.684 2.851 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 37 15.760 1.157 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.876 -1.191 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.237 -0.732 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.623 -0.841 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.344 0.388 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.123 0.848 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.891 2.097 -2.134 1.00 0.00 H new ATOM 282 N CYS A 38 11.957 3.892 0.678 1.00 0.00 N ATOM 283 CA CYS A 38 11.227 5.164 0.779 1.00 0.00 C ATOM 284 C CYS A 38 12.111 6.394 0.453 1.00 0.00 C ATOM 285 O CYS A 38 12.556 7.127 1.342 1.00 0.00 O ATOM 286 CB CYS A 38 10.595 5.272 2.173 1.00 0.00 C ATOM 287 SG CYS A 38 9.415 3.914 2.450 1.00 0.00 S ATOM 0 H CYS A 38 12.086 3.444 1.585 1.00 0.00 H new ATOM 0 HA CYS A 38 10.441 5.165 0.024 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.374 5.244 2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.085 6.230 2.274 1.00 0.00 H new ATOM 0 HG CYS A 38 8.895 4.026 3.636 1.00 0.00 H new ATOM 293 N LYS A 39 12.351 6.621 -0.842 1.00 0.00 N ATOM 294 CA LYS A 39 13.206 7.674 -1.429 1.00 0.00 C ATOM 295 C LYS A 39 12.456 8.437 -2.531 1.00 0.00 C ATOM 296 O LYS A 39 12.708 8.237 -3.721 1.00 0.00 O ATOM 297 CB LYS A 39 14.522 7.044 -1.942 1.00 0.00 C ATOM 298 CG LYS A 39 15.447 6.481 -0.845 1.00 0.00 C ATOM 299 CD LYS A 39 16.102 7.520 0.088 1.00 0.00 C ATOM 300 CE LYS A 39 17.383 8.170 -0.464 1.00 0.00 C ATOM 301 NZ LYS A 39 17.129 9.204 -1.504 1.00 0.00 N ATOM 0 H LYS A 39 11.927 6.037 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 39 13.460 8.406 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.276 6.240 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.071 7.797 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.871 5.786 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.237 5.904 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.376 8.305 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.337 7.038 1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.934 8.624 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.022 7.393 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.931 9.865 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.018 8.745 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.260 9.726 -1.270 1.00 0.00 H new ATOM 315 N ALA A 40 11.502 9.283 -2.130 1.00 0.00 N ATOM 316 CA ALA A 40 10.640 10.106 -2.999 1.00 0.00 C ATOM 317 C ALA A 40 10.024 9.351 -4.196 1.00 0.00 C ATOM 318 O ALA A 40 9.992 9.823 -5.335 1.00 0.00 O ATOM 319 CB ALA A 40 11.422 11.337 -3.432 1.00 0.00 C ATOM 0 H ALA A 40 11.296 9.423 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 40 9.770 10.402 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.798 11.957 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.716 11.909 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.313 11.028 -3.979 1.00 0.00 H new ATOM 325 N ARG A 41 9.561 8.133 -3.921 1.00 0.00 N ATOM 326 CA ARG A 41 8.944 7.219 -4.899 1.00 0.00 C ATOM 327 C ARG A 41 7.522 7.637 -5.300 1.00 0.00 C ATOM 328 O ARG A 41 7.110 7.377 -6.430 1.00 0.00 O ATOM 329 CB ARG A 41 8.946 5.780 -4.348 1.00 0.00 C ATOM 330 CG ARG A 41 10.316 5.223 -3.915 1.00 0.00 C ATOM 331 CD ARG A 41 11.291 4.958 -5.072 1.00 0.00 C ATOM 332 NE ARG A 41 11.928 6.201 -5.546 1.00 0.00 N ATOM 333 CZ ARG A 41 12.217 6.570 -6.777 1.00 0.00 C ATOM 334 NH1 ARG A 41 11.990 5.810 -7.810 1.00 0.00 N ATOM 335 NH2 ARG A 41 12.746 7.741 -6.981 1.00 0.00 N ATOM 0 H ARG A 41 9.603 7.736 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 41 9.548 7.269 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.273 5.739 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.532 5.120 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.777 5.926 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.160 4.293 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.059 4.257 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.757 4.486 -5.897 1.00 0.00 H new ATOM 0 HE ARG A 41 12.180 6.869 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.572 4.888 -7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.230 6.137 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.932 8.361 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.975 8.039 -7.929 1.00 0.00 H new ATOM 349 N PHE A 42 6.785 8.287 -4.389 1.00 0.00 N ATOM 350 CA PHE A 42 5.374 8.708 -4.525 1.00 0.00 C ATOM 351 C PHE A 42 4.409 7.588 -4.984 1.00 0.00 C ATOM 352 O PHE A 42 3.360 7.830 -5.588 1.00 0.00 O ATOM 353 CB PHE A 42 5.306 9.992 -5.364 1.00 0.00 C ATOM 354 CG PHE A 42 5.905 11.198 -4.664 1.00 0.00 C ATOM 355 CD1 PHE A 42 5.142 11.891 -3.705 1.00 0.00 C ATOM 356 CD2 PHE A 42 7.218 11.621 -4.945 1.00 0.00 C ATOM 357 CE1 PHE A 42 5.681 13.009 -3.043 1.00 0.00 C ATOM 358 CE2 PHE A 42 7.755 12.742 -4.289 1.00 0.00 C ATOM 359 CZ PHE A 42 6.987 13.436 -3.337 1.00 0.00 C ATOM 0 H PHE A 42 7.175 8.551 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 42 4.994 8.936 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.829 9.830 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.265 10.203 -5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.139 11.563 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 42 7.814 11.083 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.091 13.539 -2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 42 8.758 13.071 -4.516 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.401 14.297 -2.832 1.00 0.00 H new ATOM 369 N THR A 43 4.780 6.345 -4.680 1.00 0.00 N ATOM 370 CA THR A 43 4.076 5.091 -4.997 1.00 0.00 C ATOM 371 C THR A 43 2.665 5.023 -4.389 1.00 0.00 C ATOM 372 O THR A 43 2.389 5.629 -3.350 1.00 0.00 O ATOM 373 CB THR A 43 4.932 3.909 -4.506 1.00 0.00 C ATOM 374 OG1 THR A 43 6.207 3.986 -5.101 1.00 0.00 O ATOM 375 CG2 THR A 43 4.371 2.543 -4.884 1.00 0.00 C ATOM 0 H THR A 43 5.644 6.169 -4.168 1.00 0.00 H new ATOM 0 HA THR A 43 3.941 5.045 -6.078 1.00 0.00 H new ATOM 0 HB THR A 43 4.953 3.990 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.758 3.237 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.029 1.762 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.378 2.425 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.304 2.465 -5.969 1.00 0.00 H new ATOM 383 N ARG A 44 1.766 4.264 -5.030 1.00 0.00 N ATOM 384 CA ARG A 44 0.386 4.013 -4.580 1.00 0.00 C ATOM 385 C ARG A 44 0.342 3.148 -3.305 1.00 0.00 C ATOM 386 O ARG A 44 1.212 2.298 -3.089 1.00 0.00 O ATOM 387 CB ARG A 44 -0.386 3.333 -5.735 1.00 0.00 C ATOM 388 CG ARG A 44 -1.822 3.834 -5.886 1.00 0.00 C ATOM 389 CD ARG A 44 -1.876 5.047 -6.823 1.00 0.00 C ATOM 390 NE ARG A 44 -3.157 5.730 -6.647 1.00 0.00 N ATOM 391 CZ ARG A 44 -3.948 6.314 -7.526 1.00 0.00 C ATOM 392 NH1 ARG A 44 -3.688 6.333 -8.801 1.00 0.00 N ATOM 393 NH2 ARG A 44 -5.043 6.894 -7.131 1.00 0.00 N ATOM 0 H ARG A 44 1.985 3.791 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.082 4.963 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.150 3.503 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.401 2.256 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.452 3.036 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.223 4.104 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.053 5.728 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.759 4.728 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.495 5.760 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.844 5.884 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.329 6.797 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.290 6.897 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.655 7.346 -7.811 1.00 0.00 H new ATOM 407 N TYR A 45 -0.708 3.312 -2.498 1.00 0.00 N ATOM 408 CA TYR A 45 -0.934 2.565 -1.249 1.00 0.00 C ATOM 409 C TYR A 45 -2.351 1.967 -1.202 1.00 0.00 C ATOM 410 O TYR A 45 -3.305 2.593 -1.669 1.00 0.00 O ATOM 411 CB TYR A 45 -0.721 3.487 -0.033 1.00 0.00 C ATOM 412 CG TYR A 45 0.547 4.332 -0.012 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.814 3.745 -0.213 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.454 5.715 0.246 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.981 4.533 -0.140 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.616 6.509 0.300 1.00 0.00 C ATOM 417 CZ TYR A 45 2.884 5.919 0.110 1.00 0.00 C ATOM 418 OH TYR A 45 4.005 6.689 0.184 1.00 0.00 O ATOM 0 H TYR A 45 -1.448 3.986 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.215 1.746 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.576 4.160 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.730 2.869 0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.890 2.688 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.514 6.168 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.950 4.076 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.537 7.570 0.487 1.00 0.00 H new ATOM 0 HH TYR A 45 3.752 7.619 0.361 1.00 0.00 H new ATOM 428 N TYR A 46 -2.493 0.777 -0.608 1.00 0.00 N ATOM 429 CA TYR A 46 -3.768 0.063 -0.427 1.00 0.00 C ATOM 430 C TYR A 46 -3.789 -0.681 0.920 1.00 0.00 C ATOM 431 O TYR A 46 -2.783 -1.281 1.309 1.00 0.00 O ATOM 432 CB TYR A 46 -3.958 -0.958 -1.564 1.00 0.00 C ATOM 433 CG TYR A 46 -4.087 -0.401 -2.972 1.00 0.00 C ATOM 434 CD1 TYR A 46 -2.934 -0.015 -3.685 1.00 0.00 C ATOM 435 CD2 TYR A 46 -5.349 -0.325 -3.594 1.00 0.00 C ATOM 436 CE1 TYR A 46 -3.038 0.459 -5.004 1.00 0.00 C ATOM 437 CE2 TYR A 46 -5.458 0.144 -4.918 1.00 0.00 C ATOM 438 CZ TYR A 46 -4.303 0.552 -5.618 1.00 0.00 C ATOM 439 OH TYR A 46 -4.409 1.046 -6.881 1.00 0.00 O ATOM 0 H TYR A 46 -1.698 0.265 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.575 0.796 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.113 -1.646 -1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.851 -1.545 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.964 -0.084 -3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.235 -0.627 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.151 0.751 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.425 0.191 -5.397 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.590 0.846 -7.380 1.00 0.00 H new ATOM 449 N CYS A 47 -4.927 -0.674 1.627 1.00 0.00 N ATOM 450 CA CYS A 47 -5.130 -1.447 2.860 1.00 0.00 C ATOM 451 C CYS A 47 -5.693 -2.850 2.574 1.00 0.00 C ATOM 452 O CYS A 47 -6.760 -2.989 1.972 1.00 0.00 O ATOM 453 CB CYS A 47 -6.038 -0.690 3.840 1.00 0.00 C ATOM 454 SG CYS A 47 -6.113 -1.521 5.452 1.00 0.00 S ATOM 0 H CYS A 47 -5.742 -0.125 1.356 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.151 -1.575 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.667 0.327 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.042 -0.612 3.422 1.00 0.00 H new ATOM 459 N MET A 48 -4.989 -3.892 3.028 1.00 0.00 N ATOM 460 CA MET A 48 -5.437 -5.294 2.925 1.00 0.00 C ATOM 461 C MET A 48 -6.478 -5.733 3.977 1.00 0.00 C ATOM 462 O MET A 48 -7.101 -6.783 3.807 1.00 0.00 O ATOM 463 CB MET A 48 -4.216 -6.223 2.960 1.00 0.00 C ATOM 464 CG MET A 48 -3.546 -6.253 1.586 1.00 0.00 C ATOM 465 SD MET A 48 -2.088 -7.314 1.535 1.00 0.00 S ATOM 466 CE MET A 48 -2.043 -7.698 -0.236 1.00 0.00 C ATOM 0 H MET A 48 -4.082 -3.790 3.483 1.00 0.00 H new ATOM 0 HA MET A 48 -5.960 -5.368 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.507 -5.878 3.713 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.522 -7.229 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.266 -6.599 0.844 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.261 -5.239 1.305 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.147 -8.277 -0.460 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.926 -8.278 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.029 -6.771 -0.809 1.00 0.00 H new ATOM 476 N GLY A 49 -6.709 -4.948 5.038 1.00 0.00 N ATOM 477 CA GLY A 49 -7.804 -5.172 6.001 1.00 0.00 C ATOM 478 C GLY A 49 -7.560 -4.602 7.402 1.00 0.00 C ATOM 479 O GLY A 49 -8.474 -4.041 8.005 1.00 0.00 O ATOM 0 H GLY A 49 -6.138 -4.132 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.717 -4.731 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.979 -6.244 6.087 1.00 0.00 H new ATOM 483 N ASN A 50 -6.327 -4.715 7.911 1.00 0.00 N ATOM 484 CA ASN A 50 -5.896 -4.130 9.194 1.00 0.00 C ATOM 485 C ASN A 50 -4.634 -3.248 9.092 1.00 0.00 C ATOM 486 O ASN A 50 -4.321 -2.508 10.026 1.00 0.00 O ATOM 487 CB ASN A 50 -5.754 -5.244 10.250 1.00 0.00 C ATOM 488 CG ASN A 50 -4.529 -6.122 10.044 1.00 0.00 C ATOM 489 OD1 ASN A 50 -3.434 -5.812 10.484 1.00 0.00 O ATOM 490 ND2 ASN A 50 -4.670 -7.243 9.376 1.00 0.00 N ATOM 0 H ASN A 50 -5.583 -5.226 7.435 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.676 -3.438 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.704 -4.791 11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.647 -5.869 10.230 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.866 -7.852 9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.584 -7.505 9.007 1.00 0.00 H new ATOM 497 N CYS A 51 -3.934 -3.300 7.956 1.00 0.00 N ATOM 498 CA CYS A 51 -2.737 -2.528 7.627 1.00 0.00 C ATOM 499 C CYS A 51 -2.637 -2.321 6.104 1.00 0.00 C ATOM 500 O CYS A 51 -3.282 -3.036 5.327 1.00 0.00 O ATOM 501 CB CYS A 51 -1.517 -3.288 8.174 1.00 0.00 C ATOM 502 SG CYS A 51 -1.318 -4.982 7.547 1.00 0.00 S ATOM 0 H CYS A 51 -4.207 -3.922 7.195 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.781 -1.538 8.082 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.618 -2.721 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.590 -3.326 9.261 1.00 0.00 H new ATOM 507 N CYS A 52 -1.810 -1.369 5.670 1.00 0.00 N ATOM 508 CA CYS A 52 -1.547 -1.083 4.258 1.00 0.00 C ATOM 509 C CYS A 52 -0.072 -1.261 3.884 1.00 0.00 C ATOM 510 O CYS A 52 0.832 -1.071 4.705 1.00 0.00 O ATOM 511 CB CYS A 52 -2.073 0.319 3.887 1.00 0.00 C ATOM 512 SG CYS A 52 -1.759 1.662 5.057 1.00 0.00 S ATOM 0 H CYS A 52 -1.292 -0.761 6.305 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.092 -1.819 3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.638 0.599 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.150 0.246 3.739 1.00 0.00 H new ATOM 517 N LYS A 53 0.152 -1.607 2.612 1.00 0.00 N ATOM 518 CA LYS A 53 1.477 -1.766 1.981 1.00 0.00 C ATOM 519 C LYS A 53 1.636 -0.850 0.755 1.00 0.00 C ATOM 520 O LYS A 53 0.726 -0.097 0.396 1.00 0.00 O ATOM 521 CB LYS A 53 1.720 -3.256 1.651 1.00 0.00 C ATOM 522 CG LYS A 53 2.994 -3.840 2.282 1.00 0.00 C ATOM 523 CD LYS A 53 3.087 -5.350 1.988 1.00 0.00 C ATOM 524 CE LYS A 53 4.466 -5.955 2.289 1.00 0.00 C ATOM 525 NZ LYS A 53 4.793 -5.961 3.740 1.00 0.00 N ATOM 0 H LYS A 53 -0.613 -1.793 1.963 1.00 0.00 H new ATOM 0 HA LYS A 53 2.247 -1.450 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.861 -3.836 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.777 -3.372 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.872 -3.330 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.986 -3.671 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.334 -5.873 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.846 -5.522 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.499 -6.977 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.229 -5.391 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.734 -6.380 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.791 -4.985 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.083 -6.522 4.253 1.00 0.00 H new ATOM 539 N VAL A 54 2.813 -0.909 0.133 1.00 0.00 N ATOM 540 CA VAL A 54 3.259 -0.062 -0.984 1.00 0.00 C ATOM 541 C VAL A 54 3.467 -0.898 -2.252 1.00 0.00 C ATOM 542 O VAL A 54 4.216 -1.876 -2.248 1.00 0.00 O ATOM 543 CB VAL A 54 4.500 0.753 -0.560 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.724 -0.094 -0.190 1.00 0.00 C ATOM 545 CG2 VAL A 54 4.923 1.742 -1.642 1.00 0.00 C ATOM 0 H VAL A 54 3.525 -1.586 0.407 1.00 0.00 H new ATOM 0 HA VAL A 54 2.483 0.661 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 54 4.171 1.275 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.547 0.561 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.475 -0.748 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.021 -0.698 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.799 2.296 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.165 1.200 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.107 2.438 -1.838 1.00 0.00 H new ATOM 555 N TYR A 55 2.766 -0.538 -3.330 1.00 0.00 N ATOM 556 CA TYR A 55 2.659 -1.322 -4.572 1.00 0.00 C ATOM 557 C TYR A 55 2.973 -0.456 -5.800 1.00 0.00 C ATOM 558 O TYR A 55 2.282 0.526 -6.072 1.00 0.00 O ATOM 559 CB TYR A 55 1.263 -1.971 -4.687 1.00 0.00 C ATOM 560 CG TYR A 55 0.811 -2.834 -3.514 1.00 0.00 C ATOM 561 CD1 TYR A 55 1.712 -3.696 -2.855 1.00 0.00 C ATOM 562 CD2 TYR A 55 -0.528 -2.769 -3.077 1.00 0.00 C ATOM 563 CE1 TYR A 55 1.295 -4.419 -1.722 1.00 0.00 C ATOM 564 CE2 TYR A 55 -0.951 -3.512 -1.957 1.00 0.00 C ATOM 565 CZ TYR A 55 -0.029 -4.316 -1.264 1.00 0.00 C ATOM 566 OH TYR A 55 -0.393 -4.966 -0.130 1.00 0.00 O ATOM 0 H TYR A 55 2.239 0.334 -3.368 1.00 0.00 H new ATOM 0 HA TYR A 55 3.400 -2.121 -4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.529 -1.177 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.246 -2.585 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.723 -3.801 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.234 -2.145 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.996 -5.056 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.980 -3.464 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.340 -4.795 0.055 1.00 0.00 H new ATOM 576 N GLU A 56 4.042 -0.801 -6.524 1.00 0.00 N ATOM 577 CA GLU A 56 4.554 -0.064 -7.691 1.00 0.00 C ATOM 578 C GLU A 56 3.504 0.093 -8.813 1.00 0.00 C ATOM 579 O GLU A 56 3.038 -0.893 -9.393 1.00 0.00 O ATOM 580 CB GLU A 56 5.826 -0.737 -8.232 1.00 0.00 C ATOM 581 CG GLU A 56 6.990 -0.676 -7.233 1.00 0.00 C ATOM 582 CD GLU A 56 8.269 -1.288 -7.830 1.00 0.00 C ATOM 583 OE1 GLU A 56 8.385 -2.534 -7.889 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.194 -0.530 -8.213 1.00 0.00 O ATOM 0 H GLU A 56 4.596 -1.630 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 56 4.795 0.942 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.610 -1.778 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.123 -0.252 -9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.177 0.360 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.719 -1.210 -6.322 1.00 0.00 H new ATOM 591 N GLY A 57 3.146 1.343 -9.127 1.00 0.00 N ATOM 592 CA GLY A 57 2.167 1.714 -10.157 1.00 0.00 C ATOM 593 C GLY A 57 0.705 1.690 -9.684 1.00 0.00 C ATOM 594 O GLY A 57 0.379 1.281 -8.568 1.00 0.00 O ATOM 0 H GLY A 57 3.544 2.154 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.402 2.715 -10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.273 1.035 -11.003 1.00 0.00 H new ATOM 598 N CYS A 58 -0.201 2.149 -10.549 1.00 0.00 N ATOM 599 CA CYS A 58 -1.643 2.197 -10.287 1.00 0.00 C ATOM 600 C CYS A 58 -2.288 0.806 -10.464 1.00 0.00 C ATOM 601 O CYS A 58 -2.816 0.490 -11.532 1.00 0.00 O ATOM 602 CB CYS A 58 -2.287 3.262 -11.190 1.00 0.00 C ATOM 603 SG CYS A 58 -1.586 4.902 -10.829 1.00 0.00 S ATOM 0 H CYS A 58 0.051 2.505 -11.471 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.816 2.481 -9.249 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.120 3.010 -12.237 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.366 3.277 -11.034 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.139 5.790 -11.601 1.00 0.00 H new ATOM 609 N TYR A 59 -2.238 -0.026 -9.415 1.00 0.00 N ATOM 610 CA TYR A 59 -2.769 -1.400 -9.388 1.00 0.00 C ATOM 611 C TYR A 59 -4.226 -1.486 -9.893 1.00 0.00 C ATOM 612 O TYR A 59 -4.528 -2.262 -10.804 1.00 0.00 O ATOM 613 CB TYR A 59 -2.609 -1.966 -7.967 1.00 0.00 C ATOM 614 CG TYR A 59 -2.871 -3.455 -7.843 1.00 0.00 C ATOM 615 CD1 TYR A 59 -4.189 -3.932 -7.703 1.00 0.00 C ATOM 616 CD2 TYR A 59 -1.795 -4.366 -7.858 1.00 0.00 C ATOM 617 CE1 TYR A 59 -4.435 -5.313 -7.604 1.00 0.00 C ATOM 618 CE2 TYR A 59 -2.035 -5.749 -7.746 1.00 0.00 C ATOM 619 CZ TYR A 59 -3.360 -6.228 -7.628 1.00 0.00 C ATOM 620 OH TYR A 59 -3.609 -7.565 -7.538 1.00 0.00 O ATOM 0 H TYR A 59 -1.812 0.247 -8.529 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.194 -2.011 -10.083 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.596 -1.759 -7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.289 -1.435 -7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.013 -3.235 -7.672 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.783 -4.002 -7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.448 -5.674 -7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.208 -6.443 -7.750 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.409 -7.875 -6.630 1.00 0.00 H new ATOM 630 N THR A 60 -5.110 -0.637 -9.350 1.00 0.00 N ATOM 631 CA THR A 60 -6.482 -0.386 -9.831 1.00 0.00 C ATOM 632 C THR A 60 -6.823 1.114 -9.822 1.00 0.00 C ATOM 633 O THR A 60 -7.377 1.628 -10.795 1.00 0.00 O ATOM 634 CB THR A 60 -7.502 -1.166 -8.978 1.00 0.00 C ATOM 635 OG1 THR A 60 -7.230 -2.554 -8.998 1.00 0.00 O ATOM 636 CG2 THR A 60 -8.935 -0.995 -9.477 1.00 0.00 C ATOM 0 H THR A 60 -4.881 -0.080 -8.527 1.00 0.00 H new ATOM 0 HA THR A 60 -6.536 -0.734 -10.862 1.00 0.00 H new ATOM 0 HB THR A 60 -7.407 -0.757 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.891 -3.025 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.612 -1.565 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.208 0.060 -9.445 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.009 -1.358 -10.502 1.00 0.00 H new ATOM 644 N GLY A 61 -6.477 1.823 -8.740 1.00 0.00 N ATOM 645 CA GLY A 61 -6.717 3.258 -8.523 1.00 0.00 C ATOM 646 C GLY A 61 -7.313 3.555 -7.139 1.00 0.00 C ATOM 647 O GLY A 61 -8.399 4.129 -7.049 1.00 0.00 O ATOM 0 H GLY A 61 -5.997 1.390 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.778 3.800 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.393 3.630 -9.293 1.00 0.00 H new ATOM 651 N GLY A 62 -6.626 3.136 -6.067 1.00 0.00 N ATOM 652 CA GLY A 62 -7.107 3.212 -4.678 1.00 0.00 C ATOM 653 C GLY A 62 -6.926 4.592 -4.037 1.00 0.00 C ATOM 654 O GLY A 62 -7.792 5.460 -4.165 1.00 0.00 O ATOM 0 H GLY A 62 -5.696 2.724 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.164 2.946 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.578 2.471 -4.079 1.00 0.00 H new ATOM 658 N TYR A 63 -5.801 4.800 -3.346 1.00 0.00 N ATOM 659 CA TYR A 63 -5.510 6.016 -2.571 1.00 0.00 C ATOM 660 C TYR A 63 -4.390 6.859 -3.195 1.00 0.00 C ATOM 661 O TYR A 63 -3.563 6.352 -3.952 1.00 0.00 O ATOM 662 CB TYR A 63 -5.145 5.621 -1.130 1.00 0.00 C ATOM 663 CG TYR A 63 -6.169 4.769 -0.390 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.551 5.033 -0.501 1.00 0.00 C ATOM 665 CD2 TYR A 63 -5.730 3.699 0.416 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.488 4.209 0.152 1.00 0.00 C ATOM 667 CE2 TYR A 63 -6.663 2.877 1.078 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.045 3.122 0.937 1.00 0.00 C ATOM 669 OH TYR A 63 -8.941 2.295 1.542 1.00 0.00 O ATOM 0 H TYR A 63 -5.048 4.113 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.405 6.638 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.199 5.080 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.978 6.532 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.892 5.872 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.673 3.508 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.545 4.408 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.320 2.059 1.694 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.461 1.601 2.040 1.00 0.00 H new ATOM 679 N SER A 64 -4.349 8.148 -2.860 1.00 0.00 N ATOM 680 CA SER A 64 -3.313 9.120 -3.240 1.00 0.00 C ATOM 681 C SER A 64 -2.339 9.402 -2.082 1.00 0.00 C ATOM 682 O SER A 64 -1.153 9.648 -2.314 1.00 0.00 O ATOM 683 CB SER A 64 -4.003 10.418 -3.681 1.00 0.00 C ATOM 684 OG SER A 64 -3.083 11.345 -4.238 1.00 0.00 O ATOM 0 H SER A 64 -5.077 8.570 -2.284 1.00 0.00 H new ATOM 0 HA SER A 64 -2.724 8.704 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.775 10.187 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.503 10.872 -2.825 1.00 0.00 H new ATOM 0 HG SER A 64 -3.560 12.157 -4.508 1.00 0.00 H new ATOM 690 N ARG A 65 -2.814 9.309 -0.829 1.00 0.00 N ATOM 691 CA ARG A 65 -2.042 9.495 0.414 1.00 0.00 C ATOM 692 C ARG A 65 -2.306 8.369 1.414 1.00 0.00 C ATOM 693 O ARG A 65 -3.407 7.826 1.481 1.00 0.00 O ATOM 694 CB ARG A 65 -2.411 10.856 1.046 1.00 0.00 C ATOM 695 CG ARG A 65 -1.979 12.088 0.235 1.00 0.00 C ATOM 696 CD ARG A 65 -0.455 12.261 0.213 1.00 0.00 C ATOM 697 NE ARG A 65 -0.069 13.517 -0.462 1.00 0.00 N ATOM 698 CZ ARG A 65 1.133 14.062 -0.521 1.00 0.00 C ATOM 699 NH1 ARG A 65 2.174 13.509 0.037 1.00 0.00 N ATOM 700 NH2 ARG A 65 1.316 15.190 -1.147 1.00 0.00 N ATOM 0 H ARG A 65 -3.793 9.092 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.981 9.474 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.491 10.893 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.958 10.914 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.347 11.996 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.438 12.980 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.072 12.261 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.002 11.414 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.817 14.022 -0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.075 12.627 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.087 13.959 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.528 15.658 -1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.247 15.605 -1.189 1.00 0.00 H new ATOM 714 N MET A 66 -1.321 8.063 2.261 1.00 0.00 N ATOM 715 CA MET A 66 -1.445 7.047 3.321 1.00 0.00 C ATOM 716 C MET A 66 -2.448 7.448 4.424 1.00 0.00 C ATOM 717 O MET A 66 -3.009 6.583 5.098 1.00 0.00 O ATOM 718 CB MET A 66 -0.048 6.737 3.876 1.00 0.00 C ATOM 719 CG MET A 66 -0.035 5.509 4.798 1.00 0.00 C ATOM 720 SD MET A 66 1.618 4.917 5.261 1.00 0.00 S ATOM 721 CE MET A 66 2.160 4.179 3.692 1.00 0.00 C ATOM 0 H MET A 66 -0.406 8.514 2.235 1.00 0.00 H new ATOM 0 HA MET A 66 -1.864 6.139 2.888 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.639 6.571 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.320 7.603 4.426 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.586 5.750 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.571 4.697 4.305 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.069 3.601 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.378 3.523 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.358 4.969 2.968 1.00 0.00 H new ATOM 731 N GLY A 67 -2.781 8.740 4.539 1.00 0.00 N ATOM 732 CA GLY A 67 -3.893 9.224 5.372 1.00 0.00 C ATOM 733 C GLY A 67 -5.281 8.716 4.944 1.00 0.00 C ATOM 734 O GLY A 67 -6.228 8.789 5.728 1.00 0.00 O ATOM 0 H GLY A 67 -2.283 9.486 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.713 8.925 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.897 10.314 5.352 1.00 0.00 H new ATOM 738 N GLU A 68 -5.428 8.188 3.724 1.00 0.00 N ATOM 739 CA GLU A 68 -6.660 7.546 3.234 1.00 0.00 C ATOM 740 C GLU A 68 -6.724 6.043 3.571 1.00 0.00 C ATOM 741 O GLU A 68 -7.817 5.508 3.751 1.00 0.00 O ATOM 742 CB GLU A 68 -6.796 7.751 1.723 1.00 0.00 C ATOM 743 CG GLU A 68 -6.878 9.230 1.321 1.00 0.00 C ATOM 744 CD GLU A 68 -6.888 9.369 -0.208 1.00 0.00 C ATOM 745 OE1 GLU A 68 -5.793 9.333 -0.816 1.00 0.00 O ATOM 746 OE2 GLU A 68 -7.982 9.514 -0.806 1.00 0.00 O ATOM 0 H GLU A 68 -4.679 8.194 3.032 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.493 8.024 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.944 7.291 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.689 7.235 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.780 9.678 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.030 9.774 1.737 1.00 0.00 H new ATOM 753 N CYS A 69 -5.579 5.371 3.755 1.00 0.00 N ATOM 754 CA CYS A 69 -5.511 4.041 4.376 1.00 0.00 C ATOM 755 C CYS A 69 -6.050 4.111 5.815 1.00 0.00 C ATOM 756 O CYS A 69 -7.040 3.459 6.150 1.00 0.00 O ATOM 757 CB CYS A 69 -4.071 3.500 4.311 1.00 0.00 C ATOM 758 SG CYS A 69 -3.658 2.223 5.535 1.00 0.00 S ATOM 0 H CYS A 69 -4.669 5.737 3.476 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.140 3.341 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.899 3.092 3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.382 4.335 4.437 1.00 0.00 H new ATOM 763 N ALA A 70 -5.432 4.939 6.662 1.00 0.00 N ATOM 764 CA ALA A 70 -5.682 4.971 8.105 1.00 0.00 C ATOM 765 C ALA A 70 -7.089 5.456 8.533 1.00 0.00 C ATOM 766 O ALA A 70 -7.464 5.272 9.693 1.00 0.00 O ATOM 767 CB ALA A 70 -4.583 5.836 8.733 1.00 0.00 C ATOM 0 H ALA A 70 -4.733 5.617 6.359 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.657 3.942 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.732 5.887 9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.608 5.396 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.626 6.841 8.313 1.00 0.00 H new ATOM 773 N ARG A 71 -7.888 6.046 7.624 1.00 0.00 N ATOM 774 CA ARG A 71 -9.315 6.371 7.860 1.00 0.00 C ATOM 775 C ARG A 71 -10.288 5.270 7.412 1.00 0.00 C ATOM 776 O ARG A 71 -11.388 5.172 7.955 1.00 0.00 O ATOM 777 CB ARG A 71 -9.668 7.739 7.244 1.00 0.00 C ATOM 778 CG ARG A 71 -9.800 7.722 5.712 1.00 0.00 C ATOM 779 CD ARG A 71 -10.015 9.120 5.125 1.00 0.00 C ATOM 780 NE ARG A 71 -8.814 9.964 5.271 1.00 0.00 N ATOM 781 CZ ARG A 71 -8.685 11.238 4.953 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.659 11.926 4.429 1.00 0.00 N ATOM 783 NH2 ARG A 71 -7.553 11.846 5.162 1.00 0.00 N ATOM 0 H ARG A 71 -7.562 6.314 6.696 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.442 6.432 8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.606 8.088 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.900 8.461 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.901 7.284 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -10.635 7.081 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.274 9.036 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.858 9.598 5.623 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.989 9.511 5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.560 11.481 4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.521 12.910 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.769 11.338 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.450 12.831 4.917 1.00 0.00 H new ATOM 797 N ASN A 72 -9.888 4.434 6.449 1.00 0.00 N ATOM 798 CA ASN A 72 -10.654 3.276 5.968 1.00 0.00 C ATOM 799 C ASN A 72 -10.328 1.973 6.729 1.00 0.00 C ATOM 800 O ASN A 72 -11.081 1.002 6.628 1.00 0.00 O ATOM 801 CB ASN A 72 -10.402 3.112 4.458 1.00 0.00 C ATOM 802 CG ASN A 72 -11.180 4.126 3.636 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.389 4.034 3.476 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.527 5.122 3.084 1.00 0.00 N ATOM 0 H ASN A 72 -8.996 4.546 5.967 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.710 3.467 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.337 3.222 4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.683 2.105 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.028 5.813 2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.519 5.205 3.213 1.00 0.00 H new ATOM 811 N CYS A 73 -9.239 1.954 7.505 1.00 0.00 N ATOM 812 CA CYS A 73 -8.723 0.791 8.231 1.00 0.00 C ATOM 813 C CYS A 73 -8.441 1.081 9.724 1.00 0.00 C ATOM 814 O CYS A 73 -8.264 2.241 10.103 1.00 0.00 O ATOM 815 CB CYS A 73 -7.476 0.296 7.482 1.00 0.00 C ATOM 816 SG CYS A 73 -7.888 -0.975 6.261 1.00 0.00 S ATOM 0 H CYS A 73 -8.668 2.787 7.650 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.483 0.010 8.252 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.994 1.137 6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -6.758 -0.105 8.197 1.00 0.00 H new ATOM 821 N PRO A 74 -8.379 0.041 10.585 1.00 0.00 N ATOM 822 CA PRO A 74 -8.194 0.189 12.036 1.00 0.00 C ATOM 823 C PRO A 74 -6.750 0.520 12.470 1.00 0.00 C ATOM 824 O PRO A 74 -6.526 0.855 13.636 1.00 0.00 O ATOM 825 CB PRO A 74 -8.656 -1.151 12.624 1.00 0.00 C ATOM 826 CG PRO A 74 -8.305 -2.150 11.524 1.00 0.00 C ATOM 827 CD PRO A 74 -8.615 -1.360 10.255 1.00 0.00 C ATOM 0 HA PRO A 74 -8.766 1.043 12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.141 -1.381 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.724 -1.149 12.841 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.259 -2.453 11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.903 -3.058 11.594 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.977 -1.679 9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.646 -1.518 9.939 1.00 0.00 H new ATOM 835 N GLY A 75 -5.775 0.434 11.554 1.00 0.00 N ATOM 836 CA GLY A 75 -4.353 0.764 11.740 1.00 0.00 C ATOM 837 C GLY A 75 -3.927 1.977 10.914 1.00 0.00 C ATOM 838 O GLY A 75 -3.502 2.985 11.520 1.00 0.00 O ATOM 839 OXT GLY A 75 -4.016 1.898 9.671 1.00 0.00 O ATOM 0 H GLY A 75 -5.969 0.113 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.163 0.961 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.743 -0.095 11.461 1.00 0.00 H new TER 843 GLY A 75