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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0527 USER MOD Set 2.1: A 48 MET CE :methyl -178:sc= -0.0662 (180deg=-0.0761) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 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+ 179:sc= 0.838 (180deg=0.837) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0282 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.0753 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 14:sc= 0.0297 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 -146:sc= 0 (180deg=-0.0302) USER MOD Single : A 72 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -2.097 -19.102 20.093 1.00 0.00 N ATOM 2 CA GLY A 19 -1.906 -19.092 18.628 1.00 0.00 C ATOM 3 C GLY A 19 -2.951 -18.223 17.952 1.00 0.00 C ATOM 4 O GLY A 19 -4.016 -18.713 17.576 1.00 0.00 O ATOM 0 HA2 GLY A 19 -0.909 -18.721 18.390 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.968 -20.109 18.242 1.00 0.00 H new ATOM 10 N ASP A 20 -2.671 -16.925 17.810 1.00 0.00 N ATOM 11 CA ASP A 20 -3.545 -15.912 17.196 1.00 0.00 C ATOM 12 C ASP A 20 -2.731 -14.760 16.562 1.00 0.00 C ATOM 13 O ASP A 20 -1.534 -14.618 16.826 1.00 0.00 O ATOM 14 CB ASP A 20 -4.533 -15.376 18.248 1.00 0.00 C ATOM 15 CG ASP A 20 -3.841 -14.638 19.411 1.00 0.00 C ATOM 16 OD1 ASP A 20 -3.407 -15.306 20.382 1.00 0.00 O ATOM 17 OD2 ASP A 20 -3.755 -13.389 19.366 1.00 0.00 O ATOM 0 H ASP A 20 -1.788 -16.529 18.134 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.104 -16.385 16.389 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.237 -14.699 17.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.114 -16.207 18.648 1.00 0.00 H new ATOM 22 N LYS A 21 -3.374 -13.938 15.719 1.00 0.00 N ATOM 23 CA LYS A 21 -2.769 -12.775 15.043 1.00 0.00 C ATOM 24 C LYS A 21 -2.794 -11.530 15.940 1.00 0.00 C ATOM 25 O LYS A 21 -3.829 -10.878 16.084 1.00 0.00 O ATOM 26 CB LYS A 21 -3.475 -12.510 13.697 1.00 0.00 C ATOM 27 CG LYS A 21 -3.375 -13.661 12.678 1.00 0.00 C ATOM 28 CD LYS A 21 -1.929 -13.978 12.263 1.00 0.00 C ATOM 29 CE LYS A 21 -1.856 -14.969 11.092 1.00 0.00 C ATOM 30 NZ LYS A 21 -2.307 -16.336 11.471 1.00 0.00 N ATOM 0 H LYS A 21 -4.357 -14.066 15.480 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.723 -13.005 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.528 -12.304 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.051 -11.611 13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.828 -14.556 13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.953 -13.403 11.790 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.424 -13.053 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.391 -14.390 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.472 -14.602 10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.831 -15.017 10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.238 -16.965 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.704 -16.701 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.294 -16.298 11.796 1.00 0.00 H new ATOM 44 N GLU A 22 -1.650 -11.194 16.535 1.00 0.00 N ATOM 45 CA GLU A 22 -1.450 -10.022 17.403 1.00 0.00 C ATOM 46 C GLU A 22 -0.841 -8.796 16.682 1.00 0.00 C ATOM 47 O GLU A 22 -0.738 -7.717 17.269 1.00 0.00 O ATOM 48 CB GLU A 22 -0.639 -10.420 18.654 1.00 0.00 C ATOM 49 CG GLU A 22 0.863 -10.698 18.455 1.00 0.00 C ATOM 50 CD GLU A 22 1.159 -12.038 17.754 1.00 0.00 C ATOM 51 OE1 GLU A 22 1.033 -12.115 16.507 1.00 0.00 O ATOM 52 OE2 GLU A 22 1.551 -13.013 18.444 1.00 0.00 O ATOM 0 H GLU A 22 -0.801 -11.749 16.425 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.441 -9.691 17.713 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.741 -9.624 19.391 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.095 -11.312 19.083 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.299 -9.888 17.870 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.357 -10.690 19.427 1.00 0.00 H new ATOM 59 N GLU A 23 -0.462 -8.936 15.407 1.00 0.00 N ATOM 60 CA GLU A 23 0.148 -7.896 14.557 1.00 0.00 C ATOM 61 C GLU A 23 -0.481 -7.822 13.151 1.00 0.00 C ATOM 62 O GLU A 23 -1.142 -8.758 12.689 1.00 0.00 O ATOM 63 CB GLU A 23 1.663 -8.165 14.426 1.00 0.00 C ATOM 64 CG GLU A 23 2.486 -7.734 15.650 1.00 0.00 C ATOM 65 CD GLU A 23 2.522 -6.207 15.882 1.00 0.00 C ATOM 66 OE1 GLU A 23 2.128 -5.418 14.986 1.00 0.00 O ATOM 67 OE2 GLU A 23 2.978 -5.775 16.971 1.00 0.00 O ATOM 0 H GLU A 23 -0.576 -9.820 14.911 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.036 -6.937 15.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.818 -9.230 14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.039 -7.642 13.547 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.076 -8.216 16.538 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.507 -8.097 15.533 1.00 0.00 H new ATOM 74 N CYS A 24 -0.234 -6.712 12.446 1.00 0.00 N ATOM 75 CA CYS A 24 -0.567 -6.530 11.029 1.00 0.00 C ATOM 76 C CYS A 24 0.172 -7.538 10.130 1.00 0.00 C ATOM 77 O CYS A 24 1.400 -7.658 10.184 1.00 0.00 O ATOM 78 CB CYS A 24 -0.236 -5.087 10.612 1.00 0.00 C ATOM 79 SG CYS A 24 -1.536 -3.892 11.022 1.00 0.00 S ATOM 0 H CYS A 24 0.215 -5.894 12.857 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.634 -6.714 10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.691 -4.782 11.097 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.057 -5.061 9.537 1.00 0.00 H new ATOM 84 N THR A 25 -0.573 -8.238 9.271 1.00 0.00 N ATOM 85 CA THR A 25 -0.047 -9.115 8.211 1.00 0.00 C ATOM 86 C THR A 25 -0.947 -9.085 6.966 1.00 0.00 C ATOM 87 O THR A 25 -2.080 -8.600 7.014 1.00 0.00 O ATOM 88 CB THR A 25 0.163 -10.545 8.746 1.00 0.00 C ATOM 89 OG1 THR A 25 0.947 -11.294 7.840 1.00 0.00 O ATOM 90 CG2 THR A 25 -1.133 -11.319 9.004 1.00 0.00 C ATOM 0 H THR A 25 -1.592 -8.212 9.291 1.00 0.00 H new ATOM 0 HA THR A 25 0.927 -8.737 7.901 1.00 0.00 H new ATOM 0 HB THR A 25 0.664 -10.419 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.076 -12.200 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.894 -12.314 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.733 -10.788 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.696 -11.406 8.075 1.00 0.00 H new ATOM 98 N VAL A 26 -0.438 -9.579 5.835 1.00 0.00 N ATOM 99 CA VAL A 26 -1.136 -9.638 4.536 1.00 0.00 C ATOM 100 C VAL A 26 -2.261 -10.695 4.516 1.00 0.00 C ATOM 101 O VAL A 26 -2.193 -11.674 5.268 1.00 0.00 O ATOM 102 CB VAL A 26 -0.127 -9.893 3.393 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.765 -8.661 3.191 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.781 -11.108 3.623 1.00 0.00 C ATOM 0 H VAL A 26 0.505 -9.964 5.791 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.611 -8.669 4.383 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.733 -10.098 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.472 -8.852 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.146 -7.801 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.312 -8.453 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.460 -11.220 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.359 -10.963 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.170 -12.006 3.719 1.00 0.00 H new ATOM 114 N PRO A 27 -3.291 -10.547 3.657 1.00 0.00 N ATOM 115 CA PRO A 27 -4.334 -11.563 3.481 1.00 0.00 C ATOM 116 C PRO A 27 -3.768 -12.804 2.776 1.00 0.00 C ATOM 117 O PRO A 27 -2.786 -12.709 2.039 1.00 0.00 O ATOM 118 CB PRO A 27 -5.415 -10.880 2.635 1.00 0.00 C ATOM 119 CG PRO A 27 -4.609 -9.908 1.776 1.00 0.00 C ATOM 120 CD PRO A 27 -3.525 -9.437 2.743 1.00 0.00 C ATOM 0 HA PRO A 27 -4.734 -11.915 4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.965 -11.597 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.146 -10.361 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.186 -10.396 0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.220 -9.080 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.613 -9.174 2.208 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.845 -8.547 3.284 1.00 0.00 H new ATOM 128 N ILE A 28 -4.390 -13.970 2.970 1.00 0.00 N ATOM 129 CA ILE A 28 -3.924 -15.254 2.410 1.00 0.00 C ATOM 130 C ILE A 28 -3.914 -15.203 0.869 1.00 0.00 C ATOM 131 O ILE A 28 -4.869 -14.739 0.241 1.00 0.00 O ATOM 132 CB ILE A 28 -4.781 -16.430 2.944 1.00 0.00 C ATOM 133 CG1 ILE A 28 -4.756 -16.480 4.494 1.00 0.00 C ATOM 134 CG2 ILE A 28 -4.291 -17.775 2.371 1.00 0.00 C ATOM 135 CD1 ILE A 28 -5.758 -17.463 5.114 1.00 0.00 C ATOM 0 H ILE A 28 -5.241 -14.056 3.525 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.899 -15.425 2.738 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.807 -16.261 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.752 -16.750 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.959 -15.481 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.909 -18.584 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.364 -17.755 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.253 -17.938 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.672 -17.433 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.770 -17.183 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.544 -18.472 4.761 1.00 0.00 H new ATOM 147 N GLY A 29 -2.829 -15.697 0.261 1.00 0.00 N ATOM 148 CA GLY A 29 -2.624 -15.742 -1.194 1.00 0.00 C ATOM 149 C GLY A 29 -2.495 -14.359 -1.850 1.00 0.00 C ATOM 150 O GLY A 29 -3.198 -14.062 -2.819 1.00 0.00 O ATOM 0 H GLY A 29 -2.045 -16.089 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.724 -16.319 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.458 -16.274 -1.652 1.00 0.00 H new ATOM 154 N TRP A 30 -1.614 -13.503 -1.320 1.00 0.00 N ATOM 155 CA TRP A 30 -1.313 -12.163 -1.824 1.00 0.00 C ATOM 156 C TRP A 30 -0.412 -12.191 -3.077 1.00 0.00 C ATOM 157 O TRP A 30 -0.015 -13.249 -3.576 1.00 0.00 O ATOM 158 CB TRP A 30 -0.660 -11.367 -0.682 1.00 0.00 C ATOM 159 CG TRP A 30 0.689 -11.868 -0.263 1.00 0.00 C ATOM 160 CD1 TRP A 30 1.869 -11.396 -0.711 1.00 0.00 C ATOM 161 CD2 TRP A 30 1.024 -12.963 0.636 1.00 0.00 C ATOM 162 NE1 TRP A 30 2.911 -12.101 -0.134 1.00 0.00 N ATOM 163 CE2 TRP A 30 2.442 -13.083 0.714 1.00 0.00 C ATOM 164 CE3 TRP A 30 0.259 -13.868 1.393 1.00 0.00 C ATOM 165 CZ2 TRP A 30 3.069 -14.044 1.520 1.00 0.00 C ATOM 166 CZ3 TRP A 30 0.870 -14.841 2.207 1.00 0.00 C ATOM 167 CH2 TRP A 30 2.274 -14.928 2.275 1.00 0.00 C ATOM 0 H TRP A 30 -1.068 -13.738 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.239 -11.683 -2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.567 -10.326 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.324 -11.385 0.182 1.00 0.00 H new ATOM 0 HD1 TRP A 30 1.985 -10.587 -1.417 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.898 -11.918 -0.313 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.819 -13.816 1.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.146 -14.105 1.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.260 -15.523 2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.740 -15.671 2.905 1.00 0.00 H new ATOM 178 N SER A 31 -0.063 -10.998 -3.558 1.00 0.00 N ATOM 179 CA SER A 31 0.824 -10.742 -4.706 1.00 0.00 C ATOM 180 C SER A 31 1.847 -9.657 -4.351 1.00 0.00 C ATOM 181 O SER A 31 1.558 -8.465 -4.439 1.00 0.00 O ATOM 182 CB SER A 31 0.013 -10.341 -5.948 1.00 0.00 C ATOM 183 OG SER A 31 -0.870 -11.379 -6.355 1.00 0.00 O ATOM 0 H SER A 31 -0.407 -10.134 -3.139 1.00 0.00 H new ATOM 0 HA SER A 31 1.359 -11.662 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.560 -9.439 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.693 -10.100 -6.765 1.00 0.00 H new ATOM 0 HG SER A 31 -1.371 -11.090 -7.146 1.00 0.00 H new ATOM 189 N GLU A 32 3.028 -10.065 -3.876 1.00 0.00 N ATOM 190 CA GLU A 32 4.073 -9.168 -3.354 1.00 0.00 C ATOM 191 C GLU A 32 4.538 -8.093 -4.375 1.00 0.00 C ATOM 192 O GLU A 32 5.079 -8.442 -5.430 1.00 0.00 O ATOM 193 CB GLU A 32 5.245 -9.973 -2.757 1.00 0.00 C ATOM 194 CG GLU A 32 5.931 -10.986 -3.689 1.00 0.00 C ATOM 195 CD GLU A 32 6.980 -11.812 -2.918 1.00 0.00 C ATOM 196 OE1 GLU A 32 6.599 -12.784 -2.222 1.00 0.00 O ATOM 197 OE2 GLU A 32 8.194 -11.502 -3.006 1.00 0.00 O ATOM 0 H GLU A 32 3.293 -11.049 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 32 3.619 -8.598 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.999 -9.268 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.879 -10.509 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.185 -11.651 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.410 -10.461 -4.515 1.00 0.00 H new ATOM 204 N PRO A 33 4.320 -6.786 -4.110 1.00 0.00 N ATOM 205 CA PRO A 33 4.691 -5.700 -5.021 1.00 0.00 C ATOM 206 C PRO A 33 6.211 -5.449 -5.017 1.00 0.00 C ATOM 207 O PRO A 33 6.760 -4.880 -4.071 1.00 0.00 O ATOM 208 CB PRO A 33 3.888 -4.480 -4.550 1.00 0.00 C ATOM 209 CG PRO A 33 3.727 -4.727 -3.056 1.00 0.00 C ATOM 210 CD PRO A 33 3.630 -6.243 -2.945 1.00 0.00 C ATOM 0 HA PRO A 33 4.457 -5.941 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.417 -3.548 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.924 -4.413 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.576 -4.338 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.834 -4.240 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.090 -6.595 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.589 -6.565 -2.925 1.00 0.00 H new ATOM 218 N VAL A 34 6.899 -5.870 -6.085 1.00 0.00 N ATOM 219 CA VAL A 34 8.348 -5.670 -6.296 1.00 0.00 C ATOM 220 C VAL A 34 8.591 -5.100 -7.703 1.00 0.00 C ATOM 221 O VAL A 34 8.978 -5.809 -8.634 1.00 0.00 O ATOM 222 CB VAL A 34 9.158 -6.959 -6.012 1.00 0.00 C ATOM 223 CG1 VAL A 34 10.669 -6.674 -6.013 1.00 0.00 C ATOM 224 CG2 VAL A 34 8.829 -7.571 -4.642 1.00 0.00 C ATOM 0 H VAL A 34 6.455 -6.375 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 34 8.714 -4.939 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 34 8.883 -7.653 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.213 -7.596 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.965 -6.284 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.901 -5.939 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.424 -8.472 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.059 -6.851 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.770 -7.825 -4.602 1.00 0.00 H new ATOM 234 N LYS A 35 8.303 -3.802 -7.863 1.00 0.00 N ATOM 235 CA LYS A 35 8.449 -3.009 -9.100 1.00 0.00 C ATOM 236 C LYS A 35 8.753 -1.532 -8.795 1.00 0.00 C ATOM 237 O LYS A 35 8.741 -1.124 -7.635 1.00 0.00 O ATOM 238 CB LYS A 35 7.175 -3.192 -9.953 1.00 0.00 C ATOM 239 CG LYS A 35 5.934 -2.479 -9.384 1.00 0.00 C ATOM 240 CD LYS A 35 4.647 -2.796 -10.161 1.00 0.00 C ATOM 241 CE LYS A 35 4.106 -4.199 -9.850 1.00 0.00 C ATOM 242 NZ LYS A 35 2.694 -4.343 -10.295 1.00 0.00 N ATOM 0 H LYS A 35 7.941 -3.241 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 35 9.306 -3.368 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.367 -2.819 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.960 -4.257 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.802 -2.768 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.103 -1.402 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.887 -2.054 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.842 -2.713 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.724 -4.948 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.173 -4.388 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.361 -5.306 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.099 -3.655 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.633 -4.169 -11.319 1.00 0.00 H new ATOM 256 N GLY A 36 8.987 -0.722 -9.832 1.00 0.00 N ATOM 257 CA GLY A 36 9.128 0.739 -9.735 1.00 0.00 C ATOM 258 C GLY A 36 10.282 1.200 -8.834 1.00 0.00 C ATOM 259 O GLY A 36 10.055 1.828 -7.799 1.00 0.00 O ATOM 0 H GLY A 36 9.086 -1.070 -10.786 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.278 1.146 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.196 1.159 -9.356 1.00 0.00 H new ATOM 263 N LEU A 37 11.522 0.905 -9.240 1.00 0.00 N ATOM 264 CA LEU A 37 12.774 1.202 -8.518 1.00 0.00 C ATOM 265 C LEU A 37 13.093 2.701 -8.273 1.00 0.00 C ATOM 266 O LEU A 37 14.096 3.016 -7.630 1.00 0.00 O ATOM 267 CB LEU A 37 13.949 0.493 -9.227 1.00 0.00 C ATOM 268 CG LEU A 37 14.293 1.027 -10.637 1.00 0.00 C ATOM 269 CD1 LEU A 37 15.804 0.994 -10.867 1.00 0.00 C ATOM 270 CD2 LEU A 37 13.650 0.181 -11.740 1.00 0.00 C ATOM 0 H LEU A 37 11.693 0.428 -10.125 1.00 0.00 H new ATOM 0 HA LEU A 37 12.624 0.813 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.835 0.579 -8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.716 -0.569 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 37 13.909 2.046 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.029 1.373 -11.864 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.299 1.617 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.163 -0.031 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.917 0.590 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.009 -0.846 -11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.566 0.196 -11.625 1.00 0.00 H new ATOM 282 N CYS A 38 12.275 3.627 -8.785 1.00 0.00 N ATOM 283 CA CYS A 38 12.401 5.080 -8.611 1.00 0.00 C ATOM 284 C CYS A 38 12.306 5.536 -7.135 1.00 0.00 C ATOM 285 O CYS A 38 11.811 4.810 -6.267 1.00 0.00 O ATOM 286 CB CYS A 38 11.303 5.754 -9.454 1.00 0.00 C ATOM 287 SG CYS A 38 11.454 5.281 -11.204 1.00 0.00 S ATOM 0 H CYS A 38 11.470 3.373 -9.358 1.00 0.00 H new ATOM 0 HA CYS A 38 13.396 5.377 -8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.321 5.467 -9.078 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.377 6.837 -9.357 1.00 0.00 H new ATOM 0 HG CYS A 38 10.516 5.860 -11.893 1.00 0.00 H new ATOM 293 N LYS A 39 12.730 6.779 -6.860 1.00 0.00 N ATOM 294 CA LYS A 39 12.756 7.407 -5.523 1.00 0.00 C ATOM 295 C LYS A 39 12.046 8.768 -5.523 1.00 0.00 C ATOM 296 O LYS A 39 12.683 9.824 -5.504 1.00 0.00 O ATOM 297 CB LYS A 39 14.200 7.498 -4.997 1.00 0.00 C ATOM 298 CG LYS A 39 14.837 6.115 -4.787 1.00 0.00 C ATOM 299 CD LYS A 39 16.136 6.255 -3.990 1.00 0.00 C ATOM 300 CE LYS A 39 16.819 4.893 -3.822 1.00 0.00 C ATOM 301 NZ LYS A 39 18.067 5.001 -3.021 1.00 0.00 N ATOM 0 H LYS A 39 13.079 7.401 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 39 12.197 6.772 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.805 8.070 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.206 8.045 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.143 5.462 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.040 5.648 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.809 6.944 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.923 6.684 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.133 4.199 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.050 4.478 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.502 4.061 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.731 5.644 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.842 5.374 -2.076 1.00 0.00 H new ATOM 315 N ALA A 40 10.713 8.740 -5.561 1.00 0.00 N ATOM 316 CA ALA A 40 9.866 9.926 -5.402 1.00 0.00 C ATOM 317 C ALA A 40 9.931 10.509 -3.969 1.00 0.00 C ATOM 318 O ALA A 40 10.380 9.853 -3.023 1.00 0.00 O ATOM 319 CB ALA A 40 8.430 9.550 -5.795 1.00 0.00 C ATOM 0 H ALA A 40 10.182 7.881 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 40 10.234 10.716 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.783 10.420 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.412 9.215 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.074 8.748 -5.149 1.00 0.00 H new ATOM 325 N ARG A 41 9.433 11.743 -3.799 1.00 0.00 N ATOM 326 CA ARG A 41 9.329 12.462 -2.506 1.00 0.00 C ATOM 327 C ARG A 41 8.152 12.002 -1.622 1.00 0.00 C ATOM 328 O ARG A 41 7.952 12.531 -0.529 1.00 0.00 O ATOM 329 CB ARG A 41 9.287 13.981 -2.774 1.00 0.00 C ATOM 330 CG ARG A 41 10.635 14.489 -3.318 1.00 0.00 C ATOM 331 CD ARG A 41 10.653 16.006 -3.548 1.00 0.00 C ATOM 332 NE ARG A 41 9.822 16.406 -4.702 1.00 0.00 N ATOM 333 CZ ARG A 41 9.764 17.604 -5.259 1.00 0.00 C ATOM 334 NH1 ARG A 41 10.448 18.614 -4.800 1.00 0.00 N ATOM 335 NH2 ARG A 41 9.011 17.811 -6.301 1.00 0.00 N ATOM 0 H ARG A 41 9.077 12.293 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 41 10.217 12.214 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.496 14.205 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.042 14.509 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.427 14.223 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.856 13.982 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.294 16.512 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.679 16.335 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 41 9.231 15.683 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.052 18.494 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.380 19.525 -5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.461 17.047 -6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.971 18.738 -6.725 1.00 0.00 H new ATOM 349 N PHE A 42 7.385 11.012 -2.079 1.00 0.00 N ATOM 350 CA PHE A 42 6.278 10.340 -1.419 1.00 0.00 C ATOM 351 C PHE A 42 6.316 8.852 -1.802 1.00 0.00 C ATOM 352 O PHE A 42 6.978 8.450 -2.764 1.00 0.00 O ATOM 353 CB PHE A 42 4.953 11.004 -1.842 1.00 0.00 C ATOM 354 CG PHE A 42 4.655 10.947 -3.333 1.00 0.00 C ATOM 355 CD1 PHE A 42 5.202 11.912 -4.203 1.00 0.00 C ATOM 356 CD2 PHE A 42 3.838 9.926 -3.856 1.00 0.00 C ATOM 357 CE1 PHE A 42 4.935 11.859 -5.581 1.00 0.00 C ATOM 358 CE2 PHE A 42 3.571 9.872 -5.236 1.00 0.00 C ATOM 359 CZ PHE A 42 4.117 10.839 -6.098 1.00 0.00 C ATOM 0 H PHE A 42 7.543 10.628 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 42 6.359 10.423 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.135 10.524 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.971 12.048 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.830 12.697 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.416 9.183 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.358 12.601 -6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.946 9.087 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.908 10.798 -7.157 1.00 0.00 H new ATOM 369 N THR A 43 5.582 8.036 -1.053 1.00 0.00 N ATOM 370 CA THR A 43 5.430 6.581 -1.239 1.00 0.00 C ATOM 371 C THR A 43 3.950 6.181 -1.159 1.00 0.00 C ATOM 372 O THR A 43 3.154 6.856 -0.501 1.00 0.00 O ATOM 373 CB THR A 43 6.264 5.813 -0.194 1.00 0.00 C ATOM 374 OG1 THR A 43 7.619 6.222 -0.232 1.00 0.00 O ATOM 375 CG2 THR A 43 6.288 4.307 -0.452 1.00 0.00 C ATOM 0 H THR A 43 5.046 8.381 -0.257 1.00 0.00 H new ATOM 0 HA THR A 43 5.800 6.317 -2.230 1.00 0.00 H new ATOM 0 HB THR A 43 5.791 6.031 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.130 5.724 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.889 3.816 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.271 3.916 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.721 4.113 -1.433 1.00 0.00 H new ATOM 383 N ARG A 44 3.566 5.093 -1.841 1.00 0.00 N ATOM 384 CA ARG A 44 2.189 4.578 -1.892 1.00 0.00 C ATOM 385 C ARG A 44 1.870 3.658 -0.703 1.00 0.00 C ATOM 386 O ARG A 44 2.756 2.965 -0.191 1.00 0.00 O ATOM 387 CB ARG A 44 1.989 3.846 -3.235 1.00 0.00 C ATOM 388 CG ARG A 44 0.641 4.145 -3.881 1.00 0.00 C ATOM 389 CD ARG A 44 0.577 5.558 -4.462 1.00 0.00 C ATOM 390 NE ARG A 44 -0.716 5.721 -5.129 1.00 0.00 N ATOM 391 CZ ARG A 44 -1.108 6.626 -6.001 1.00 0.00 C ATOM 392 NH1 ARG A 44 -0.328 7.586 -6.411 1.00 0.00 N ATOM 393 NH2 ARG A 44 -2.313 6.556 -6.480 1.00 0.00 N ATOM 0 H ARG A 44 4.220 4.532 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 44 1.495 5.416 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.786 4.133 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.078 2.772 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.451 3.420 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.149 4.023 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.693 6.299 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.392 5.716 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.421 5.027 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.625 7.656 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.671 8.268 -7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.939 5.808 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.634 7.249 -7.157 1.00 0.00 H new ATOM 407 N TYR A 45 0.599 3.621 -0.299 1.00 0.00 N ATOM 408 CA TYR A 45 0.114 2.850 0.852 1.00 0.00 C ATOM 409 C TYR A 45 -1.151 2.057 0.488 1.00 0.00 C ATOM 410 O TYR A 45 -2.110 2.619 -0.047 1.00 0.00 O ATOM 411 CB TYR A 45 -0.144 3.785 2.047 1.00 0.00 C ATOM 412 CG TYR A 45 0.965 4.775 2.385 1.00 0.00 C ATOM 413 CD1 TYR A 45 2.245 4.326 2.763 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.709 6.158 2.329 1.00 0.00 C ATOM 415 CE1 TYR A 45 3.258 5.250 3.086 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.718 7.089 2.642 1.00 0.00 C ATOM 417 CZ TYR A 45 3.000 6.635 3.020 1.00 0.00 C ATOM 418 OH TYR A 45 3.986 7.521 3.332 1.00 0.00 O ATOM 0 H TYR A 45 -0.141 4.138 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 45 0.883 2.132 1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.056 4.348 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.333 3.170 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.451 3.267 2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.272 6.509 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.234 4.897 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.511 8.148 2.593 1.00 0.00 H new ATOM 0 HH TYR A 45 3.647 8.435 3.235 1.00 0.00 H new ATOM 428 N TYR A 46 -1.168 0.753 0.783 1.00 0.00 N ATOM 429 CA TYR A 46 -2.229 -0.179 0.362 1.00 0.00 C ATOM 430 C TYR A 46 -2.824 -0.935 1.553 1.00 0.00 C ATOM 431 O TYR A 46 -2.078 -1.485 2.366 1.00 0.00 O ATOM 432 CB TYR A 46 -1.670 -1.177 -0.667 1.00 0.00 C ATOM 433 CG TYR A 46 -0.962 -0.574 -1.869 1.00 0.00 C ATOM 434 CD1 TYR A 46 -1.552 0.474 -2.604 1.00 0.00 C ATOM 435 CD2 TYR A 46 0.286 -1.089 -2.271 1.00 0.00 C ATOM 436 CE1 TYR A 46 -0.906 0.994 -3.741 1.00 0.00 C ATOM 437 CE2 TYR A 46 0.948 -0.556 -3.392 1.00 0.00 C ATOM 438 CZ TYR A 46 0.343 0.472 -4.140 1.00 0.00 C ATOM 439 OH TYR A 46 0.944 0.925 -5.271 1.00 0.00 O ATOM 0 H TYR A 46 -0.434 0.304 1.330 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.028 0.407 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.973 -1.842 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.493 -1.794 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.504 0.880 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.737 -1.898 -1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.365 1.791 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.918 -0.935 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 46 1.797 0.460 -5.397 1.00 0.00 H new ATOM 449 N CYS A 47 -4.158 -0.968 1.670 1.00 0.00 N ATOM 450 CA CYS A 47 -4.853 -1.801 2.658 1.00 0.00 C ATOM 451 C CYS A 47 -4.740 -3.291 2.303 1.00 0.00 C ATOM 452 O CYS A 47 -5.193 -3.729 1.242 1.00 0.00 O ATOM 453 CB CYS A 47 -6.312 -1.363 2.842 1.00 0.00 C ATOM 454 SG CYS A 47 -7.122 -2.286 4.182 1.00 0.00 S ATOM 0 H CYS A 47 -4.785 -0.418 1.082 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.359 -1.658 3.619 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.348 -0.296 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.859 -1.516 1.912 1.00 0.00 H new ATOM 459 N MET A 48 -4.130 -4.062 3.204 1.00 0.00 N ATOM 460 CA MET A 48 -3.882 -5.499 3.088 1.00 0.00 C ATOM 461 C MET A 48 -4.622 -6.229 4.218 1.00 0.00 C ATOM 462 O MET A 48 -4.130 -6.336 5.342 1.00 0.00 O ATOM 463 CB MET A 48 -2.366 -5.770 3.094 1.00 0.00 C ATOM 464 CG MET A 48 -1.633 -5.150 1.895 1.00 0.00 C ATOM 465 SD MET A 48 -2.042 -5.834 0.262 1.00 0.00 S ATOM 466 CE MET A 48 -0.904 -7.247 0.211 1.00 0.00 C ATOM 0 H MET A 48 -3.777 -3.680 4.081 1.00 0.00 H new ATOM 0 HA MET A 48 -4.266 -5.881 2.142 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.937 -5.377 4.016 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.196 -6.847 3.097 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.843 -4.081 1.881 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.560 -5.262 2.054 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.001 -7.758 -0.747 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.120 -6.894 0.331 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.146 -7.939 1.018 1.00 0.00 H new ATOM 476 N GLY A 49 -5.838 -6.704 3.934 1.00 0.00 N ATOM 477 CA GLY A 49 -6.687 -7.448 4.875 1.00 0.00 C ATOM 478 C GLY A 49 -7.485 -6.550 5.826 1.00 0.00 C ATOM 479 O GLY A 49 -8.717 -6.528 5.776 1.00 0.00 O ATOM 0 H GLY A 49 -6.273 -6.580 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.380 -8.071 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.061 -8.119 5.463 1.00 0.00 H new ATOM 483 N ASN A 50 -6.784 -5.818 6.698 1.00 0.00 N ATOM 484 CA ASN A 50 -7.356 -5.010 7.784 1.00 0.00 C ATOM 485 C ASN A 50 -6.728 -3.606 7.852 1.00 0.00 C ATOM 486 O ASN A 50 -7.423 -2.599 7.715 1.00 0.00 O ATOM 487 CB ASN A 50 -7.186 -5.766 9.118 1.00 0.00 C ATOM 488 CG ASN A 50 -8.099 -6.973 9.241 1.00 0.00 C ATOM 489 OD1 ASN A 50 -7.837 -8.049 8.718 1.00 0.00 O ATOM 490 ND2 ASN A 50 -9.194 -6.845 9.958 1.00 0.00 N ATOM 0 H ASN A 50 -5.766 -5.769 6.667 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.417 -4.860 7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.150 -6.091 9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.384 -5.083 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.822 -7.640 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.416 -5.951 10.395 1.00 0.00 H new ATOM 497 N CYS A 51 -5.412 -3.549 8.054 1.00 0.00 N ATOM 498 CA CYS A 51 -4.593 -2.333 8.089 1.00 0.00 C ATOM 499 C CYS A 51 -3.918 -2.069 6.730 1.00 0.00 C ATOM 500 O CYS A 51 -3.894 -2.943 5.858 1.00 0.00 O ATOM 501 CB CYS A 51 -3.574 -2.469 9.239 1.00 0.00 C ATOM 502 SG CYS A 51 -2.858 -4.124 9.487 1.00 0.00 S ATOM 0 H CYS A 51 -4.858 -4.392 8.206 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.223 -1.463 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.760 -1.767 9.060 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.060 -2.164 10.166 1.00 0.00 H new ATOM 507 N CYS A 52 -3.340 -0.874 6.542 1.00 0.00 N ATOM 508 CA CYS A 52 -2.531 -0.550 5.362 1.00 0.00 C ATOM 509 C CYS A 52 -1.032 -0.410 5.669 1.00 0.00 C ATOM 510 O CYS A 52 -0.634 -0.033 6.775 1.00 0.00 O ATOM 511 CB CYS A 52 -3.105 0.657 4.597 1.00 0.00 C ATOM 512 SG CYS A 52 -3.431 2.203 5.473 1.00 0.00 S ATOM 0 H CYS A 52 -3.422 -0.104 7.206 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.599 -1.410 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.416 0.884 3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.042 0.337 4.142 1.00 0.00 H new ATOM 517 N LYS A 53 -0.206 -0.732 4.663 1.00 0.00 N ATOM 518 CA LYS A 53 1.266 -0.771 4.730 1.00 0.00 C ATOM 519 C LYS A 53 1.929 -0.070 3.544 1.00 0.00 C ATOM 520 O LYS A 53 1.302 0.169 2.509 1.00 0.00 O ATOM 521 CB LYS A 53 1.741 -2.238 4.839 1.00 0.00 C ATOM 522 CG LYS A 53 2.194 -2.581 6.265 1.00 0.00 C ATOM 523 CD LYS A 53 2.517 -4.073 6.439 1.00 0.00 C ATOM 524 CE LYS A 53 3.755 -4.483 5.630 1.00 0.00 C ATOM 525 NZ LYS A 53 4.083 -5.917 5.833 1.00 0.00 N ATOM 0 H LYS A 53 -0.559 -0.984 3.740 1.00 0.00 H new ATOM 0 HA LYS A 53 1.572 -0.221 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.932 -2.906 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.564 -2.407 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.076 -1.991 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.411 -2.298 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.684 -4.289 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.661 -4.670 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.578 -4.295 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.605 -3.868 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.924 -6.163 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.275 -6.090 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.280 -6.503 5.528 1.00 0.00 H new ATOM 539 N VAL A 54 3.212 0.246 3.720 1.00 0.00 N ATOM 540 CA VAL A 54 4.091 0.875 2.720 1.00 0.00 C ATOM 541 C VAL A 54 4.596 -0.140 1.691 1.00 0.00 C ATOM 542 O VAL A 54 5.143 -1.182 2.057 1.00 0.00 O ATOM 543 CB VAL A 54 5.235 1.644 3.414 1.00 0.00 C ATOM 544 CG1 VAL A 54 6.309 0.781 4.088 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.927 2.587 2.432 1.00 0.00 C ATOM 0 H VAL A 54 3.693 0.065 4.601 1.00 0.00 H new ATOM 0 HA VAL A 54 3.507 1.604 2.158 1.00 0.00 H new ATOM 0 HB VAL A 54 4.731 2.187 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.061 1.426 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.848 0.162 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.782 0.141 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.730 3.119 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.342 2.011 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.204 3.306 2.047 1.00 0.00 H new ATOM 555 N TYR A 55 4.391 0.158 0.404 1.00 0.00 N ATOM 556 CA TYR A 55 4.780 -0.705 -0.712 1.00 0.00 C ATOM 557 C TYR A 55 5.208 0.121 -1.933 1.00 0.00 C ATOM 558 O TYR A 55 4.379 0.678 -2.655 1.00 0.00 O ATOM 559 CB TYR A 55 3.617 -1.639 -1.065 1.00 0.00 C ATOM 560 CG TYR A 55 3.335 -2.734 -0.049 1.00 0.00 C ATOM 561 CD1 TYR A 55 4.257 -3.786 0.122 1.00 0.00 C ATOM 562 CD2 TYR A 55 2.158 -2.703 0.726 1.00 0.00 C ATOM 563 CE1 TYR A 55 4.012 -4.799 1.068 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.908 -3.716 1.671 1.00 0.00 C ATOM 565 CZ TYR A 55 2.836 -4.765 1.848 1.00 0.00 C ATOM 566 OH TYR A 55 2.607 -5.735 2.775 1.00 0.00 O ATOM 0 H TYR A 55 3.941 1.023 0.105 1.00 0.00 H new ATOM 0 HA TYR A 55 5.640 -1.303 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.715 -1.039 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.825 -2.104 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.156 -3.815 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.447 -1.901 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.723 -5.602 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.004 -3.691 2.262 1.00 0.00 H new ATOM 0 HH TYR A 55 1.754 -5.562 3.225 1.00 0.00 H new ATOM 576 N GLU A 56 6.516 0.209 -2.167 1.00 0.00 N ATOM 577 CA GLU A 56 7.119 0.812 -3.359 1.00 0.00 C ATOM 578 C GLU A 56 6.716 0.034 -4.632 1.00 0.00 C ATOM 579 O GLU A 56 7.094 -1.129 -4.800 1.00 0.00 O ATOM 580 CB GLU A 56 8.655 0.884 -3.220 1.00 0.00 C ATOM 581 CG GLU A 56 9.160 1.441 -1.874 1.00 0.00 C ATOM 582 CD GLU A 56 9.525 0.311 -0.887 1.00 0.00 C ATOM 583 OE1 GLU A 56 8.605 -0.350 -0.347 1.00 0.00 O ATOM 584 OE2 GLU A 56 10.735 0.077 -0.648 1.00 0.00 O ATOM 0 H GLU A 56 7.210 -0.149 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 56 6.741 1.830 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.065 -0.116 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.049 1.505 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.033 2.070 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.392 2.076 -1.432 1.00 0.00 H new ATOM 591 N GLY A 57 5.908 0.645 -5.508 1.00 0.00 N ATOM 592 CA GLY A 57 5.362 0.003 -6.711 1.00 0.00 C ATOM 593 C GLY A 57 3.998 0.556 -7.145 1.00 0.00 C ATOM 594 O GLY A 57 3.654 1.700 -6.844 1.00 0.00 O ATOM 0 H GLY A 57 5.611 1.615 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.070 0.126 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.268 -1.068 -6.529 1.00 0.00 H new ATOM 598 N CYS A 58 3.247 -0.260 -7.893 1.00 0.00 N ATOM 599 CA CYS A 58 1.879 -0.017 -8.366 1.00 0.00 C ATOM 600 C CYS A 58 1.013 -1.272 -8.139 1.00 0.00 C ATOM 601 O CYS A 58 1.262 -2.319 -8.746 1.00 0.00 O ATOM 602 CB CYS A 58 1.899 0.377 -9.852 1.00 0.00 C ATOM 603 SG CYS A 58 2.589 2.043 -10.077 1.00 0.00 S ATOM 0 H CYS A 58 3.600 -1.165 -8.204 1.00 0.00 H new ATOM 0 HA CYS A 58 1.443 0.806 -7.800 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.491 -0.344 -10.415 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.887 0.342 -10.255 1.00 0.00 H new ATOM 0 HG CYS A 58 3.177 2.421 -8.981 1.00 0.00 H new ATOM 609 N TYR A 59 0.007 -1.166 -7.266 1.00 0.00 N ATOM 610 CA TYR A 59 -0.929 -2.229 -6.872 1.00 0.00 C ATOM 611 C TYR A 59 -2.374 -1.749 -7.107 1.00 0.00 C ATOM 612 O TYR A 59 -2.976 -1.082 -6.263 1.00 0.00 O ATOM 613 CB TYR A 59 -0.636 -2.631 -5.413 1.00 0.00 C ATOM 614 CG TYR A 59 -1.031 -4.025 -4.941 1.00 0.00 C ATOM 615 CD1 TYR A 59 -2.240 -4.640 -5.332 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.180 -4.693 -4.038 1.00 0.00 C ATOM 617 CE1 TYR A 59 -2.573 -5.921 -4.845 1.00 0.00 C ATOM 618 CE2 TYR A 59 -0.509 -5.969 -3.547 1.00 0.00 C ATOM 619 CZ TYR A 59 -1.705 -6.596 -3.956 1.00 0.00 C ATOM 620 OH TYR A 59 -2.019 -7.835 -3.485 1.00 0.00 O ATOM 0 H TYR A 59 -0.189 -0.287 -6.787 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.800 -3.124 -7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.436 -2.519 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.135 -1.910 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.911 -4.128 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.736 -4.219 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.496 -6.389 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.154 -6.469 -2.857 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.308 -8.147 -2.887 1.00 0.00 H new ATOM 630 N THR A 60 -2.912 -2.046 -8.296 1.00 0.00 N ATOM 631 CA THR A 60 -4.311 -1.793 -8.722 1.00 0.00 C ATOM 632 C THR A 60 -4.799 -0.347 -8.469 1.00 0.00 C ATOM 633 O THR A 60 -5.960 -0.106 -8.128 1.00 0.00 O ATOM 634 CB THR A 60 -5.268 -2.867 -8.149 1.00 0.00 C ATOM 635 OG1 THR A 60 -4.644 -4.140 -8.127 1.00 0.00 O ATOM 636 CG2 THR A 60 -6.527 -3.065 -9.003 1.00 0.00 C ATOM 0 H THR A 60 -2.363 -2.492 -9.031 1.00 0.00 H new ATOM 0 HA THR A 60 -4.323 -1.887 -9.808 1.00 0.00 H new ATOM 0 HB THR A 60 -5.527 -2.503 -7.155 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.266 -4.803 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.158 -3.830 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.079 -2.127 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.240 -3.379 -10.007 1.00 0.00 H new ATOM 644 N GLY A 61 -3.910 0.642 -8.627 1.00 0.00 N ATOM 645 CA GLY A 61 -4.230 2.075 -8.514 1.00 0.00 C ATOM 646 C GLY A 61 -4.531 2.581 -7.092 1.00 0.00 C ATOM 647 O GLY A 61 -5.222 3.592 -6.946 1.00 0.00 O ATOM 0 H GLY A 61 -2.928 0.467 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.394 2.648 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.093 2.287 -9.146 1.00 0.00 H new ATOM 651 N GLY A 62 -4.051 1.888 -6.050 1.00 0.00 N ATOM 652 CA GLY A 62 -4.305 2.199 -4.634 1.00 0.00 C ATOM 653 C GLY A 62 -3.818 3.577 -4.142 1.00 0.00 C ATOM 654 O GLY A 62 -3.175 4.341 -4.866 1.00 0.00 O ATOM 0 H GLY A 62 -3.456 1.069 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.378 2.131 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.831 1.430 -4.024 1.00 0.00 H new ATOM 658 N TYR A 63 -4.155 3.903 -2.892 1.00 0.00 N ATOM 659 CA TYR A 63 -4.205 5.261 -2.328 1.00 0.00 C ATOM 660 C TYR A 63 -2.869 6.032 -2.277 1.00 0.00 C ATOM 661 O TYR A 63 -1.823 5.501 -1.898 1.00 0.00 O ATOM 662 CB TYR A 63 -4.803 5.178 -0.916 1.00 0.00 C ATOM 663 CG TYR A 63 -6.120 4.424 -0.846 1.00 0.00 C ATOM 664 CD1 TYR A 63 -7.311 5.046 -1.269 1.00 0.00 C ATOM 665 CD2 TYR A 63 -6.147 3.086 -0.404 1.00 0.00 C ATOM 666 CE1 TYR A 63 -8.529 4.342 -1.230 1.00 0.00 C ATOM 667 CE2 TYR A 63 -7.363 2.375 -0.371 1.00 0.00 C ATOM 668 CZ TYR A 63 -8.560 3.003 -0.783 1.00 0.00 C ATOM 669 OH TYR A 63 -9.739 2.324 -0.773 1.00 0.00 O ATOM 0 H TYR A 63 -4.414 3.193 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.822 5.838 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.083 4.694 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.954 6.189 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.289 6.066 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.233 2.604 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.442 4.827 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.380 1.350 -0.031 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.590 1.415 -0.439 1.00 0.00 H new ATOM 679 N SER A 64 -2.932 7.330 -2.597 1.00 0.00 N ATOM 680 CA SER A 64 -1.809 8.285 -2.561 1.00 0.00 C ATOM 681 C SER A 64 -1.388 8.735 -1.150 1.00 0.00 C ATOM 682 O SER A 64 -0.281 9.250 -0.979 1.00 0.00 O ATOM 683 CB SER A 64 -2.182 9.551 -3.346 1.00 0.00 C ATOM 684 OG SER A 64 -2.629 9.233 -4.655 1.00 0.00 O ATOM 0 H SER A 64 -3.802 7.766 -2.902 1.00 0.00 H new ATOM 0 HA SER A 64 -0.969 7.746 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.963 10.094 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.318 10.213 -3.405 1.00 0.00 H new ATOM 0 HG SER A 64 -2.861 10.058 -5.131 1.00 0.00 H new ATOM 690 N ARG A 65 -2.258 8.569 -0.142 1.00 0.00 N ATOM 691 CA ARG A 65 -2.070 9.009 1.255 1.00 0.00 C ATOM 692 C ARG A 65 -2.540 7.955 2.257 1.00 0.00 C ATOM 693 O ARG A 65 -3.418 7.142 1.969 1.00 0.00 O ATOM 694 CB ARG A 65 -2.841 10.325 1.496 1.00 0.00 C ATOM 695 CG ARG A 65 -2.155 11.593 0.961 1.00 0.00 C ATOM 696 CD ARG A 65 -0.899 11.944 1.773 1.00 0.00 C ATOM 697 NE ARG A 65 -0.402 13.297 1.455 1.00 0.00 N ATOM 698 CZ ARG A 65 0.502 13.989 2.129 1.00 0.00 C ATOM 699 NH1 ARG A 65 1.111 13.507 3.175 1.00 0.00 N ATOM 700 NH2 ARG A 65 0.816 15.201 1.764 1.00 0.00 N ATOM 0 H ARG A 65 -3.154 8.103 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.002 9.164 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.825 10.241 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.001 10.443 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.884 11.447 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.855 12.428 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.125 11.880 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.118 11.212 1.569 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.797 13.746 0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.896 12.565 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.802 14.072 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.363 15.623 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.514 15.727 2.290 1.00 0.00 H new ATOM 714 N MET A 66 -1.966 7.996 3.461 1.00 0.00 N ATOM 715 CA MET A 66 -2.246 7.016 4.515 1.00 0.00 C ATOM 716 C MET A 66 -3.612 7.239 5.189 1.00 0.00 C ATOM 717 O MET A 66 -4.270 6.277 5.580 1.00 0.00 O ATOM 718 CB MET A 66 -1.086 7.003 5.520 1.00 0.00 C ATOM 719 CG MET A 66 -1.199 5.832 6.504 1.00 0.00 C ATOM 720 SD MET A 66 0.262 5.549 7.543 1.00 0.00 S ATOM 721 CE MET A 66 1.376 4.795 6.324 1.00 0.00 C ATOM 0 H MET A 66 -1.292 8.711 3.734 1.00 0.00 H new ATOM 0 HA MET A 66 -2.319 6.030 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.140 6.936 4.983 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.073 7.942 6.073 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.058 6.005 7.153 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.405 4.923 5.939 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.003 4.051 6.815 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.788 4.314 5.542 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.007 5.566 5.882 1.00 0.00 H new ATOM 731 N GLY A 67 -4.095 8.487 5.253 1.00 0.00 N ATOM 732 CA GLY A 67 -5.432 8.805 5.775 1.00 0.00 C ATOM 733 C GLY A 67 -6.564 8.230 4.916 1.00 0.00 C ATOM 734 O GLY A 67 -7.630 7.888 5.429 1.00 0.00 O ATOM 0 H GLY A 67 -3.570 9.305 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.521 8.418 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.544 9.888 5.836 1.00 0.00 H new ATOM 738 N GLU A 68 -6.325 8.085 3.612 1.00 0.00 N ATOM 739 CA GLU A 68 -7.212 7.437 2.644 1.00 0.00 C ATOM 740 C GLU A 68 -7.197 5.904 2.790 1.00 0.00 C ATOM 741 O GLU A 68 -8.267 5.297 2.876 1.00 0.00 O ATOM 742 CB GLU A 68 -6.808 7.868 1.223 1.00 0.00 C ATOM 743 CG GLU A 68 -7.446 9.183 0.747 1.00 0.00 C ATOM 744 CD GLU A 68 -7.322 10.357 1.741 1.00 0.00 C ATOM 745 OE1 GLU A 68 -6.187 10.797 2.040 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.371 10.864 2.205 1.00 0.00 O ATOM 0 H GLU A 68 -5.468 8.432 3.182 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.236 7.755 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.724 7.970 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.079 7.075 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.985 9.474 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.502 9.006 0.545 1.00 0.00 H new ATOM 753 N CYS A 69 -6.020 5.263 2.864 1.00 0.00 N ATOM 754 CA CYS A 69 -5.940 3.803 3.041 1.00 0.00 C ATOM 755 C CYS A 69 -6.470 3.322 4.403 1.00 0.00 C ATOM 756 O CYS A 69 -6.951 2.195 4.510 1.00 0.00 O ATOM 757 CB CYS A 69 -4.520 3.285 2.762 1.00 0.00 C ATOM 758 SG CYS A 69 -3.207 3.578 3.982 1.00 0.00 S ATOM 0 H CYS A 69 -5.115 5.729 2.804 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.609 3.368 2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.589 2.208 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.193 3.721 1.818 1.00 0.00 H new ATOM 763 N ALA A 70 -6.431 4.183 5.423 1.00 0.00 N ATOM 764 CA ALA A 70 -7.007 3.956 6.739 1.00 0.00 C ATOM 765 C ALA A 70 -8.540 4.068 6.718 1.00 0.00 C ATOM 766 O ALA A 70 -9.210 3.095 7.054 1.00 0.00 O ATOM 767 CB ALA A 70 -6.370 4.951 7.718 1.00 0.00 C ATOM 0 H ALA A 70 -5.977 5.093 5.345 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.791 2.938 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.787 4.800 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.292 4.792 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.578 5.969 7.389 1.00 0.00 H new ATOM 773 N ARG A 71 -9.118 5.216 6.321 1.00 0.00 N ATOM 774 CA ARG A 71 -10.576 5.469 6.423 1.00 0.00 C ATOM 775 C ARG A 71 -11.453 4.513 5.603 1.00 0.00 C ATOM 776 O ARG A 71 -12.593 4.248 5.984 1.00 0.00 O ATOM 777 CB ARG A 71 -10.902 6.941 6.109 1.00 0.00 C ATOM 778 CG ARG A 71 -10.823 7.301 4.613 1.00 0.00 C ATOM 779 CD ARG A 71 -11.037 8.799 4.364 1.00 0.00 C ATOM 780 NE ARG A 71 -9.962 9.611 4.959 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.934 10.926 5.083 1.00 0.00 C ATOM 782 NH1 ARG A 71 -10.895 11.687 4.637 1.00 0.00 N ATOM 783 NH2 ARG A 71 -8.939 11.508 5.689 1.00 0.00 N ATOM 0 H ARG A 71 -8.594 5.995 5.921 1.00 0.00 H new ATOM 0 HA ARG A 71 -10.833 5.260 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.905 7.165 6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.213 7.580 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.850 7.005 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.574 6.733 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.083 8.986 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.996 9.104 4.782 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.152 9.103 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.703 11.270 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.839 12.699 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.176 10.948 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.922 12.524 5.782 1.00 0.00 H new ATOM 797 N ASN A 72 -10.924 3.981 4.498 1.00 0.00 N ATOM 798 CA ASN A 72 -11.587 2.972 3.662 1.00 0.00 C ATOM 799 C ASN A 72 -11.515 1.538 4.240 1.00 0.00 C ATOM 800 O ASN A 72 -12.155 0.632 3.703 1.00 0.00 O ATOM 801 CB ASN A 72 -10.995 3.044 2.242 1.00 0.00 C ATOM 802 CG ASN A 72 -11.482 4.271 1.487 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.595 4.316 0.979 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.688 5.313 1.402 1.00 0.00 N ATOM 0 H ASN A 72 -10.002 4.245 4.150 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.652 3.204 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.907 3.063 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.268 2.145 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.000 6.153 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.759 5.282 1.823 1.00 0.00 H new ATOM 811 N CYS A 73 -10.768 1.323 5.330 1.00 0.00 N ATOM 812 CA CYS A 73 -10.519 0.020 5.958 1.00 0.00 C ATOM 813 C CYS A 73 -10.797 0.010 7.485 1.00 0.00 C ATOM 814 O CYS A 73 -11.007 1.068 8.087 1.00 0.00 O ATOM 815 CB CYS A 73 -9.082 -0.387 5.588 1.00 0.00 C ATOM 816 SG CYS A 73 -9.036 -1.602 4.237 1.00 0.00 S ATOM 0 H CYS A 73 -10.300 2.086 5.819 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.222 -0.721 5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.519 0.500 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.587 -0.804 6.465 1.00 0.00 H new ATOM 821 N PRO A 74 -10.832 -1.170 8.145 1.00 0.00 N ATOM 822 CA PRO A 74 -11.056 -1.264 9.593 1.00 0.00 C ATOM 823 C PRO A 74 -9.831 -0.848 10.435 1.00 0.00 C ATOM 824 O PRO A 74 -9.989 -0.509 11.613 1.00 0.00 O ATOM 825 CB PRO A 74 -11.443 -2.724 9.845 1.00 0.00 C ATOM 826 CG PRO A 74 -10.707 -3.473 8.738 1.00 0.00 C ATOM 827 CD PRO A 74 -10.781 -2.505 7.558 1.00 0.00 C ATOM 0 HA PRO A 74 -11.835 -0.568 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.131 -3.059 10.834 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.521 -2.872 9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.676 -3.692 9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.185 -4.426 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.913 -2.614 6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.663 -2.698 6.948 1.00 0.00 H new ATOM 835 N GLY A 75 -8.628 -0.836 9.842 1.00 0.00 N ATOM 836 CA GLY A 75 -7.354 -0.480 10.491 1.00 0.00 C ATOM 837 C GLY A 75 -6.909 -1.457 11.584 1.00 0.00 C ATOM 838 O GLY A 75 -7.073 -2.685 11.406 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.370 -0.980 12.609 1.00 0.00 O ATOM 0 H GLY A 75 -8.510 -1.083 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.575 -0.425 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.447 0.515 10.925 1.00 0.00 H new TER 843 GLY A 75