USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 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= 0.00859 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0784) 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 130:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.961 (180deg=0.521) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 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= 0.0424 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -10.732 6.096 23.965 1.00 0.00 N ATOM 2 CA GLY A 19 -9.906 6.714 22.903 1.00 0.00 C ATOM 3 C GLY A 19 -9.251 5.668 22.011 1.00 0.00 C ATOM 4 O GLY A 19 -9.586 4.487 22.074 1.00 0.00 O ATOM 0 HA2 GLY A 19 -10.528 7.371 22.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.136 7.336 23.358 1.00 0.00 H new ATOM 10 N ASP A 20 -8.310 6.094 21.162 1.00 0.00 N ATOM 11 CA ASP A 20 -7.652 5.257 20.144 1.00 0.00 C ATOM 12 C ASP A 20 -6.137 5.540 20.066 1.00 0.00 C ATOM 13 O ASP A 20 -5.725 6.632 19.666 1.00 0.00 O ATOM 14 CB ASP A 20 -8.348 5.484 18.788 1.00 0.00 C ATOM 15 CG ASP A 20 -7.890 4.516 17.681 1.00 0.00 C ATOM 16 OD1 ASP A 20 -7.064 3.609 17.947 1.00 0.00 O ATOM 17 OD2 ASP A 20 -8.394 4.643 16.539 1.00 0.00 O ATOM 0 H ASP A 20 -7.973 7.057 21.161 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.749 4.208 20.423 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.425 5.383 18.922 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.162 6.507 18.462 1.00 0.00 H new ATOM 22 N LYS A 21 -5.313 4.561 20.476 1.00 0.00 N ATOM 23 CA LYS A 21 -3.835 4.611 20.433 1.00 0.00 C ATOM 24 C LYS A 21 -3.184 3.469 19.633 1.00 0.00 C ATOM 25 O LYS A 21 -1.999 3.553 19.310 1.00 0.00 O ATOM 26 CB LYS A 21 -3.256 4.668 21.864 1.00 0.00 C ATOM 27 CG LYS A 21 -3.583 5.963 22.636 1.00 0.00 C ATOM 28 CD LYS A 21 -4.825 5.894 23.543 1.00 0.00 C ATOM 29 CE LYS A 21 -4.572 5.008 24.772 1.00 0.00 C ATOM 30 NZ LYS A 21 -5.726 5.021 25.709 1.00 0.00 N ATOM 0 H LYS A 21 -5.665 3.684 20.859 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.586 5.525 19.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.635 3.817 22.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.173 4.557 21.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.721 6.229 23.248 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.724 6.769 21.916 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.098 6.899 23.867 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.670 5.501 22.977 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.378 3.985 24.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.678 5.354 25.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.517 4.412 26.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.896 5.993 26.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.574 4.667 25.221 1.00 0.00 H new ATOM 44 N GLU A 22 -3.929 2.418 19.285 1.00 0.00 N ATOM 45 CA GLU A 22 -3.449 1.270 18.502 1.00 0.00 C ATOM 46 C GLU A 22 -3.728 1.484 16.999 1.00 0.00 C ATOM 47 O GLU A 22 -4.654 0.914 16.419 1.00 0.00 O ATOM 48 CB GLU A 22 -4.056 -0.030 19.065 1.00 0.00 C ATOM 49 CG GLU A 22 -3.361 -1.277 18.504 1.00 0.00 C ATOM 50 CD GLU A 22 -3.996 -2.569 19.056 1.00 0.00 C ATOM 51 OE1 GLU A 22 -3.642 -2.990 20.187 1.00 0.00 O ATOM 52 OE2 GLU A 22 -4.842 -3.183 18.364 1.00 0.00 O ATOM 0 H GLU A 22 -4.912 2.337 19.546 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.367 1.179 18.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.975 -0.027 20.152 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.119 -0.068 18.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.426 -1.274 17.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.302 -1.252 18.760 1.00 0.00 H new ATOM 59 N GLU A 23 -2.926 2.344 16.367 1.00 0.00 N ATOM 60 CA GLU A 23 -3.050 2.729 14.951 1.00 0.00 C ATOM 61 C GLU A 23 -1.686 2.924 14.261 1.00 0.00 C ATOM 62 O GLU A 23 -0.648 3.047 14.920 1.00 0.00 O ATOM 63 CB GLU A 23 -3.934 3.991 14.835 1.00 0.00 C ATOM 64 CG GLU A 23 -3.325 5.257 15.466 1.00 0.00 C ATOM 65 CD GLU A 23 -4.280 6.474 15.456 1.00 0.00 C ATOM 66 OE1 GLU A 23 -5.263 6.506 14.676 1.00 0.00 O ATOM 67 OE2 GLU A 23 -4.035 7.430 16.231 1.00 0.00 O ATOM 0 H GLU A 23 -2.148 2.808 16.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.530 1.906 14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.132 4.185 13.781 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.895 3.791 15.308 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.039 5.039 16.495 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.412 5.517 14.930 1.00 0.00 H new ATOM 74 N CYS A 24 -1.698 3.002 12.926 1.00 0.00 N ATOM 75 CA CYS A 24 -0.540 3.301 12.075 1.00 0.00 C ATOM 76 C CYS A 24 -0.771 4.588 11.261 1.00 0.00 C ATOM 77 O CYS A 24 -0.746 4.586 10.026 1.00 0.00 O ATOM 78 CB CYS A 24 -0.184 2.079 11.207 1.00 0.00 C ATOM 79 SG CYS A 24 0.814 0.830 12.059 1.00 0.00 S ATOM 0 H CYS A 24 -2.550 2.852 12.386 1.00 0.00 H new ATOM 0 HA CYS A 24 0.328 3.499 12.703 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.106 1.615 10.857 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.356 2.420 10.324 1.00 0.00 H new ATOM 84 N THR A 25 -0.995 5.705 11.957 1.00 0.00 N ATOM 85 CA THR A 25 -0.896 7.059 11.387 1.00 0.00 C ATOM 86 C THR A 25 0.557 7.401 11.032 1.00 0.00 C ATOM 87 O THR A 25 1.503 6.923 11.666 1.00 0.00 O ATOM 88 CB THR A 25 -1.447 8.118 12.358 1.00 0.00 C ATOM 89 OG1 THR A 25 -0.969 7.902 13.671 1.00 0.00 O ATOM 90 CG2 THR A 25 -2.974 8.073 12.400 1.00 0.00 C ATOM 0 H THR A 25 -1.253 5.699 12.944 1.00 0.00 H new ATOM 0 HA THR A 25 -1.498 7.069 10.479 1.00 0.00 H new ATOM 0 HB THR A 25 -1.109 9.089 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.332 8.589 14.268 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.341 8.830 13.093 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.371 8.269 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.300 7.088 12.733 1.00 0.00 H new ATOM 98 N VAL A 26 0.739 8.230 9.999 1.00 0.00 N ATOM 99 CA VAL A 26 2.044 8.614 9.425 1.00 0.00 C ATOM 100 C VAL A 26 2.054 10.090 8.995 1.00 0.00 C ATOM 101 O VAL A 26 0.984 10.646 8.721 1.00 0.00 O ATOM 102 CB VAL A 26 2.411 7.705 8.227 1.00 0.00 C ATOM 103 CG1 VAL A 26 2.736 6.286 8.703 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.324 7.617 7.147 1.00 0.00 C ATOM 0 H VAL A 26 -0.045 8.671 9.518 1.00 0.00 H new ATOM 0 HA VAL A 26 2.795 8.482 10.204 1.00 0.00 H new ATOM 0 HB VAL A 26 3.283 8.177 7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.991 5.664 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.580 6.318 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.868 5.865 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.661 6.961 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.409 7.216 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.129 8.611 6.745 1.00 0.00 H new ATOM 114 N PRO A 27 3.229 10.747 8.912 1.00 0.00 N ATOM 115 CA PRO A 27 3.321 12.138 8.468 1.00 0.00 C ATOM 116 C PRO A 27 3.016 12.279 6.969 1.00 0.00 C ATOM 117 O PRO A 27 3.354 11.408 6.165 1.00 0.00 O ATOM 118 CB PRO A 27 4.755 12.571 8.798 1.00 0.00 C ATOM 119 CG PRO A 27 5.548 11.266 8.741 1.00 0.00 C ATOM 120 CD PRO A 27 4.549 10.243 9.279 1.00 0.00 C ATOM 0 HA PRO A 27 2.585 12.768 8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.129 13.299 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.817 13.035 9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.864 11.028 7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.449 11.313 9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.726 9.258 8.846 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.641 10.137 10.360 1.00 0.00 H new ATOM 128 N ILE A 28 2.447 13.423 6.571 1.00 0.00 N ATOM 129 CA ILE A 28 2.192 13.782 5.162 1.00 0.00 C ATOM 130 C ILE A 28 3.474 13.837 4.303 1.00 0.00 C ATOM 131 O ILE A 28 3.420 13.665 3.085 1.00 0.00 O ATOM 132 CB ILE A 28 1.374 15.094 5.084 1.00 0.00 C ATOM 133 CG1 ILE A 28 0.971 15.411 3.627 1.00 0.00 C ATOM 134 CG2 ILE A 28 2.120 16.285 5.718 1.00 0.00 C ATOM 135 CD1 ILE A 28 -0.181 16.416 3.504 1.00 0.00 C ATOM 0 H ILE A 28 2.143 14.142 7.228 1.00 0.00 H new ATOM 0 HA ILE A 28 1.597 12.980 4.726 1.00 0.00 H new ATOM 0 HB ILE A 28 0.466 14.937 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.840 15.803 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.686 14.484 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.506 17.182 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.319 16.072 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.063 16.443 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.405 16.586 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.065 16.019 4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.107 17.358 3.970 1.00 0.00 H new ATOM 147 N GLY A 29 4.643 14.014 4.931 1.00 0.00 N ATOM 148 CA GLY A 29 5.943 13.986 4.256 1.00 0.00 C ATOM 149 C GLY A 29 6.439 12.583 3.859 1.00 0.00 C ATOM 150 O GLY A 29 7.430 12.480 3.130 1.00 0.00 O ATOM 0 H GLY A 29 4.712 14.183 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.883 14.601 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.685 14.446 4.909 1.00 0.00 H new ATOM 154 N TRP A 30 5.782 11.502 4.304 1.00 0.00 N ATOM 155 CA TRP A 30 6.042 10.137 3.827 1.00 0.00 C ATOM 156 C TRP A 30 5.594 9.974 2.362 1.00 0.00 C ATOM 157 O TRP A 30 4.533 10.466 1.977 1.00 0.00 O ATOM 158 CB TRP A 30 5.315 9.130 4.732 1.00 0.00 C ATOM 159 CG TRP A 30 5.652 7.694 4.461 1.00 0.00 C ATOM 160 CD1 TRP A 30 5.110 6.933 3.486 1.00 0.00 C ATOM 161 CD2 TRP A 30 6.629 6.841 5.136 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.700 5.682 3.487 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.651 5.576 4.478 1.00 0.00 C ATOM 164 CE3 TRP A 30 7.506 7.016 6.226 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.515 4.539 4.872 1.00 0.00 C ATOM 166 CZ3 TRP A 30 8.368 5.982 6.639 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.378 4.747 5.962 1.00 0.00 C ATOM 0 H TRP A 30 5.049 11.552 5.011 1.00 0.00 H new ATOM 0 HA TRP A 30 7.114 9.946 3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.554 9.356 5.771 1.00 0.00 H new ATOM 0 HB3 TRP A 30 4.240 9.266 4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.333 7.253 2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.461 4.933 2.837 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.517 7.959 6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.516 3.596 4.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.026 6.137 7.481 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.047 3.961 6.280 1.00 0.00 H new ATOM 178 N SER A 31 6.384 9.267 1.544 1.00 0.00 N ATOM 179 CA SER A 31 6.068 8.979 0.135 1.00 0.00 C ATOM 180 C SER A 31 4.940 7.940 0.011 1.00 0.00 C ATOM 181 O SER A 31 5.168 6.729 0.086 1.00 0.00 O ATOM 182 CB SER A 31 7.333 8.527 -0.606 1.00 0.00 C ATOM 183 OG SER A 31 7.113 8.468 -2.008 1.00 0.00 O ATOM 0 H SER A 31 7.275 8.872 1.845 1.00 0.00 H new ATOM 0 HA SER A 31 5.706 9.896 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.149 9.217 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.640 7.547 -0.242 1.00 0.00 H new ATOM 0 HG SER A 31 7.935 8.179 -2.456 1.00 0.00 H new ATOM 189 N GLU A 32 3.699 8.407 -0.122 1.00 0.00 N ATOM 190 CA GLU A 32 2.496 7.585 -0.295 1.00 0.00 C ATOM 191 C GLU A 32 2.213 7.246 -1.782 1.00 0.00 C ATOM 192 O GLU A 32 2.697 7.951 -2.679 1.00 0.00 O ATOM 193 CB GLU A 32 1.301 8.289 0.387 1.00 0.00 C ATOM 194 CG GLU A 32 0.703 9.510 -0.330 1.00 0.00 C ATOM 195 CD GLU A 32 1.523 10.805 -0.155 1.00 0.00 C ATOM 196 OE1 GLU A 32 2.577 10.965 -0.816 1.00 0.00 O ATOM 197 OE2 GLU A 32 1.081 11.695 0.612 1.00 0.00 O ATOM 0 H GLU A 32 3.493 9.406 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 32 2.660 6.622 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.507 7.554 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.617 8.603 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.617 9.288 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.307 9.679 0.043 1.00 0.00 H new ATOM 204 N PRO A 33 1.433 6.187 -2.083 1.00 0.00 N ATOM 205 CA PRO A 33 1.053 5.837 -3.456 1.00 0.00 C ATOM 206 C PRO A 33 -0.038 6.750 -4.049 1.00 0.00 C ATOM 207 O PRO A 33 -0.597 7.616 -3.369 1.00 0.00 O ATOM 208 CB PRO A 33 0.594 4.383 -3.364 1.00 0.00 C ATOM 209 CG PRO A 33 -0.001 4.287 -1.963 1.00 0.00 C ATOM 210 CD PRO A 33 0.936 5.177 -1.152 1.00 0.00 C ATOM 0 HA PRO A 33 1.891 5.972 -4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.143 4.145 -4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.425 3.690 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.030 4.645 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.009 3.261 -1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.410 5.640 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.757 4.598 -0.729 1.00 0.00 H new ATOM 218 N VAL A 34 -0.361 6.537 -5.330 1.00 0.00 N ATOM 219 CA VAL A 34 -1.363 7.296 -6.103 1.00 0.00 C ATOM 220 C VAL A 34 -2.321 6.363 -6.858 1.00 0.00 C ATOM 221 O VAL A 34 -1.904 5.354 -7.433 1.00 0.00 O ATOM 222 CB VAL A 34 -0.667 8.313 -7.032 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.184 7.664 -8.130 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.665 9.274 -7.687 1.00 0.00 C ATOM 0 H VAL A 34 0.083 5.803 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.982 7.862 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.000 8.868 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.641 8.441 -8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.965 7.055 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.448 7.034 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.129 9.971 -8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.380 8.706 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.196 9.829 -6.914 1.00 0.00 H new ATOM 234 N LYS A 35 -3.617 6.702 -6.854 1.00 0.00 N ATOM 235 CA LYS A 35 -4.680 5.983 -7.575 1.00 0.00 C ATOM 236 C LYS A 35 -4.749 6.423 -9.047 1.00 0.00 C ATOM 237 O LYS A 35 -4.695 7.615 -9.350 1.00 0.00 O ATOM 238 CB LYS A 35 -6.014 6.222 -6.840 1.00 0.00 C ATOM 239 CG LYS A 35 -7.118 5.269 -7.322 1.00 0.00 C ATOM 240 CD LYS A 35 -8.431 5.254 -6.520 1.00 0.00 C ATOM 241 CE LYS A 35 -9.027 6.616 -6.121 1.00 0.00 C ATOM 242 NZ LYS A 35 -8.476 7.153 -4.844 1.00 0.00 N ATOM 0 H LYS A 35 -3.967 7.507 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.464 4.915 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.865 6.091 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.333 7.253 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.356 5.522 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.713 4.257 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.178 4.717 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.264 4.678 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.839 7.334 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.109 6.518 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.083 7.925 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.446 6.395 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.514 7.514 -5.006 1.00 0.00 H new ATOM 256 N GLY A 36 -4.946 5.469 -9.958 1.00 0.00 N ATOM 257 CA GLY A 36 -5.099 5.661 -11.408 1.00 0.00 C ATOM 258 C GLY A 36 -6.505 6.074 -11.884 1.00 0.00 C ATOM 259 O GLY A 36 -6.726 6.206 -13.086 1.00 0.00 O ATOM 0 H GLY A 36 -5.007 4.486 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.388 6.421 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.824 4.733 -11.910 1.00 0.00 H new ATOM 263 N LEU A 37 -7.452 6.277 -10.955 1.00 0.00 N ATOM 264 CA LEU A 37 -8.830 6.776 -11.153 1.00 0.00 C ATOM 265 C LEU A 37 -9.708 5.958 -12.130 1.00 0.00 C ATOM 266 O LEU A 37 -10.728 6.453 -12.619 1.00 0.00 O ATOM 267 CB LEU A 37 -8.794 8.280 -11.510 1.00 0.00 C ATOM 268 CG LEU A 37 -7.956 9.174 -10.574 1.00 0.00 C ATOM 269 CD1 LEU A 37 -8.002 10.611 -11.084 1.00 0.00 C ATOM 270 CD2 LEU A 37 -8.464 9.162 -9.132 1.00 0.00 C ATOM 0 H LEU A 37 -7.265 6.084 -9.971 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.338 6.636 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.406 8.384 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.817 8.656 -11.520 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.941 8.777 -10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.411 11.249 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.593 10.652 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.035 10.960 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.836 9.809 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.492 9.524 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.427 8.145 -8.742 1.00 0.00 H new ATOM 282 N CYS A 38 -9.324 4.713 -12.426 1.00 0.00 N ATOM 283 CA CYS A 38 -10.028 3.861 -13.392 1.00 0.00 C ATOM 284 C CYS A 38 -11.314 3.215 -12.829 1.00 0.00 C ATOM 285 O CYS A 38 -11.630 3.317 -11.641 1.00 0.00 O ATOM 286 CB CYS A 38 -9.068 2.830 -14.012 1.00 0.00 C ATOM 287 SG CYS A 38 -8.514 1.425 -13.002 1.00 0.00 S ATOM 0 H CYS A 38 -8.512 4.265 -12.001 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.378 4.515 -14.191 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.549 2.426 -14.902 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.180 3.366 -14.346 1.00 0.00 H new ATOM 292 N LYS A 39 -12.065 2.535 -13.707 1.00 0.00 N ATOM 293 CA LYS A 39 -13.365 1.882 -13.440 1.00 0.00 C ATOM 294 C LYS A 39 -13.292 0.588 -12.602 1.00 0.00 C ATOM 295 O LYS A 39 -14.327 -0.033 -12.359 1.00 0.00 O ATOM 296 CB LYS A 39 -14.078 1.630 -14.787 1.00 0.00 C ATOM 297 CG LYS A 39 -14.410 2.890 -15.613 1.00 0.00 C ATOM 298 CD LYS A 39 -15.459 3.820 -14.970 1.00 0.00 C ATOM 299 CE LYS A 39 -14.883 4.891 -14.028 1.00 0.00 C ATOM 300 NZ LYS A 39 -14.232 6.008 -14.766 1.00 0.00 N ATOM 0 H LYS A 39 -11.770 2.416 -14.676 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.935 2.569 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.451 0.976 -15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.005 1.091 -14.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.492 3.455 -15.774 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.770 2.581 -16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.018 4.317 -15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.170 3.211 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.683 5.289 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.157 4.429 -13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.860 6.703 -14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.451 5.635 -15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.930 6.468 -15.385 1.00 0.00 H new ATOM 314 N ALA A 40 -12.103 0.184 -12.145 1.00 0.00 N ATOM 315 CA ALA A 40 -11.862 -1.018 -11.338 1.00 0.00 C ATOM 316 C ALA A 40 -11.342 -0.695 -9.919 1.00 0.00 C ATOM 317 O ALA A 40 -10.835 0.397 -9.649 1.00 0.00 O ATOM 318 CB ALA A 40 -10.892 -1.919 -12.115 1.00 0.00 C ATOM 0 H ALA A 40 -11.247 0.706 -12.334 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.807 -1.536 -11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.694 -2.823 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.335 -2.190 -13.073 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.957 -1.385 -12.286 1.00 0.00 H new ATOM 324 N ARG A 41 -11.445 -1.682 -9.016 1.00 0.00 N ATOM 325 CA ARG A 41 -11.041 -1.622 -7.597 1.00 0.00 C ATOM 326 C ARG A 41 -10.181 -2.829 -7.205 1.00 0.00 C ATOM 327 O ARG A 41 -10.680 -3.855 -6.744 1.00 0.00 O ATOM 328 CB ARG A 41 -12.258 -1.426 -6.669 1.00 0.00 C ATOM 329 CG ARG A 41 -13.463 -2.338 -6.976 1.00 0.00 C ATOM 330 CD ARG A 41 -14.218 -2.760 -5.705 1.00 0.00 C ATOM 331 NE ARG A 41 -13.484 -3.804 -4.957 1.00 0.00 N ATOM 332 CZ ARG A 41 -13.440 -5.102 -5.213 1.00 0.00 C ATOM 333 NH1 ARG A 41 -14.127 -5.646 -6.179 1.00 0.00 N ATOM 334 NH2 ARG A 41 -12.701 -5.893 -4.489 1.00 0.00 N ATOM 0 H ARG A 41 -11.832 -2.592 -9.266 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.411 -0.742 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.943 -1.599 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.582 -0.387 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.148 -1.818 -7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.117 -3.228 -7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.368 -1.891 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.206 -3.132 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.949 -3.486 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.725 -5.067 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.066 -6.651 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.151 -5.513 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.672 -6.892 -4.692 1.00 0.00 H new ATOM 348 N PHE A 42 -8.875 -2.702 -7.419 1.00 0.00 N ATOM 349 CA PHE A 42 -7.855 -3.663 -6.987 1.00 0.00 C ATOM 350 C PHE A 42 -7.517 -3.494 -5.491 1.00 0.00 C ATOM 351 O PHE A 42 -7.978 -2.555 -4.831 1.00 0.00 O ATOM 352 CB PHE A 42 -6.604 -3.482 -7.871 1.00 0.00 C ATOM 353 CG PHE A 42 -6.881 -3.382 -9.365 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.663 -4.358 -10.015 1.00 0.00 C ATOM 355 CD2 PHE A 42 -6.377 -2.294 -10.106 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.951 -4.239 -11.387 1.00 0.00 C ATOM 357 CE2 PHE A 42 -6.665 -2.173 -11.478 1.00 0.00 C ATOM 358 CZ PHE A 42 -7.454 -3.145 -12.117 1.00 0.00 C ATOM 0 H PHE A 42 -8.480 -1.902 -7.914 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.239 -4.676 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.080 -2.581 -7.553 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.930 -4.321 -7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.043 -5.201 -9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.766 -1.549 -9.618 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.554 -4.988 -11.879 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.280 -1.334 -12.039 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.679 -3.051 -13.169 1.00 0.00 H new ATOM 368 N THR A 43 -6.675 -4.388 -4.962 1.00 0.00 N ATOM 369 CA THR A 43 -6.111 -4.326 -3.599 1.00 0.00 C ATOM 370 C THR A 43 -4.591 -4.471 -3.672 1.00 0.00 C ATOM 371 O THR A 43 -4.099 -5.377 -4.350 1.00 0.00 O ATOM 372 CB THR A 43 -6.680 -5.429 -2.686 1.00 0.00 C ATOM 373 OG1 THR A 43 -8.089 -5.510 -2.790 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.374 -5.160 -1.213 1.00 0.00 C ATOM 0 H THR A 43 -6.353 -5.203 -5.484 1.00 0.00 H new ATOM 0 HA THR A 43 -6.386 -3.362 -3.171 1.00 0.00 H new ATOM 0 HB THR A 43 -6.208 -6.354 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.420 -6.220 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.792 -5.960 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.295 -5.118 -1.067 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.817 -4.209 -0.917 1.00 0.00 H new ATOM 382 N ARG A 44 -3.840 -3.597 -2.990 1.00 0.00 N ATOM 383 CA ARG A 44 -2.361 -3.617 -2.933 1.00 0.00 C ATOM 384 C ARG A 44 -1.864 -3.525 -1.490 1.00 0.00 C ATOM 385 O ARG A 44 -2.572 -3.018 -0.619 1.00 0.00 O ATOM 386 CB ARG A 44 -1.772 -2.464 -3.771 1.00 0.00 C ATOM 387 CG ARG A 44 -2.173 -2.433 -5.256 1.00 0.00 C ATOM 388 CD ARG A 44 -1.742 -3.651 -6.080 1.00 0.00 C ATOM 389 NE ARG A 44 -0.284 -3.708 -6.292 1.00 0.00 N ATOM 390 CZ ARG A 44 0.380 -4.672 -6.898 1.00 0.00 C ATOM 391 NH1 ARG A 44 -0.227 -5.709 -7.403 1.00 0.00 N ATOM 392 NH2 ARG A 44 1.674 -4.626 -7.002 1.00 0.00 N ATOM 0 H ARG A 44 -4.248 -2.836 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.024 -4.565 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.072 -1.520 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.685 -2.516 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.257 -2.338 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.747 -1.539 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.067 -4.560 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.245 -3.627 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 44 0.264 -2.925 -5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.242 -5.789 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.313 -6.440 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.189 -3.837 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.175 -5.379 -7.474 1.00 0.00 H new ATOM 406 N TYR A 45 -0.630 -3.970 -1.251 1.00 0.00 N ATOM 407 CA TYR A 45 -0.039 -4.088 0.085 1.00 0.00 C ATOM 408 C TYR A 45 1.271 -3.299 0.188 1.00 0.00 C ATOM 409 O TYR A 45 2.372 -3.828 0.063 1.00 0.00 O ATOM 410 CB TYR A 45 0.123 -5.565 0.462 1.00 0.00 C ATOM 411 CG TYR A 45 -1.166 -6.367 0.400 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.176 -6.145 1.357 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.373 -7.306 -0.631 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.383 -6.872 1.297 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.580 -8.029 -0.698 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.588 -7.815 0.266 1.00 0.00 C ATOM 417 OH TYR A 45 -4.754 -8.515 0.188 1.00 0.00 O ATOM 0 H TYR A 45 0.001 -4.265 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.716 -3.640 0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.854 -6.021 -0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.529 -5.629 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.025 -5.416 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.604 -7.471 -1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.150 -6.708 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.734 -8.748 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.722 -9.118 -0.584 1.00 0.00 H new ATOM 427 N TYR A 46 1.132 -1.994 0.407 1.00 0.00 N ATOM 428 CA TYR A 46 2.251 -1.078 0.642 1.00 0.00 C ATOM 429 C TYR A 46 2.782 -1.214 2.082 1.00 0.00 C ATOM 430 O TYR A 46 2.156 -1.860 2.922 1.00 0.00 O ATOM 431 CB TYR A 46 1.792 0.358 0.330 1.00 0.00 C ATOM 432 CG TYR A 46 1.424 0.583 -1.128 1.00 0.00 C ATOM 433 CD1 TYR A 46 2.411 0.992 -2.047 1.00 0.00 C ATOM 434 CD2 TYR A 46 0.098 0.395 -1.571 1.00 0.00 C ATOM 435 CE1 TYR A 46 2.073 1.227 -3.394 1.00 0.00 C ATOM 436 CE2 TYR A 46 -0.248 0.653 -2.912 1.00 0.00 C ATOM 437 CZ TYR A 46 0.739 1.066 -3.829 1.00 0.00 C ATOM 438 OH TYR A 46 0.389 1.357 -5.113 1.00 0.00 O ATOM 0 H TYR A 46 0.223 -1.532 0.427 1.00 0.00 H new ATOM 0 HA TYR A 46 3.080 -1.331 -0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.930 0.597 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.587 1.051 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.431 1.126 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.656 0.051 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.836 1.531 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.271 0.534 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.113 0.606 -5.493 1.00 0.00 H new ATOM 448 N CYS A 47 3.917 -0.580 2.391 1.00 0.00 N ATOM 449 CA CYS A 47 4.437 -0.421 3.754 1.00 0.00 C ATOM 450 C CYS A 47 4.717 1.059 4.055 1.00 0.00 C ATOM 451 O CYS A 47 5.288 1.774 3.227 1.00 0.00 O ATOM 452 CB CYS A 47 5.694 -1.275 3.955 1.00 0.00 C ATOM 453 SG CYS A 47 6.403 -1.110 5.618 1.00 0.00 S ATOM 0 H CYS A 47 4.515 -0.152 1.684 1.00 0.00 H new ATOM 0 HA CYS A 47 3.680 -0.769 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.449 -2.321 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.443 -0.989 3.216 1.00 0.00 H new ATOM 458 N MET A 48 4.323 1.505 5.252 1.00 0.00 N ATOM 459 CA MET A 48 4.355 2.916 5.673 1.00 0.00 C ATOM 460 C MET A 48 5.220 3.146 6.934 1.00 0.00 C ATOM 461 O MET A 48 5.188 4.226 7.528 1.00 0.00 O ATOM 462 CB MET A 48 2.914 3.436 5.833 1.00 0.00 C ATOM 463 CG MET A 48 2.009 3.178 4.614 1.00 0.00 C ATOM 464 SD MET A 48 2.485 3.975 3.052 1.00 0.00 S ATOM 465 CE MET A 48 1.916 5.668 3.368 1.00 0.00 C ATOM 0 H MET A 48 3.964 0.882 5.975 1.00 0.00 H new ATOM 0 HA MET A 48 4.845 3.497 4.892 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.466 2.967 6.709 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.946 4.508 6.027 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.965 2.102 4.446 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.000 3.503 4.866 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.133 6.293 2.502 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.841 5.663 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.431 6.068 4.242 1.00 0.00 H new ATOM 475 N GLY A 49 5.991 2.139 7.359 1.00 0.00 N ATOM 476 CA GLY A 49 6.926 2.195 8.491 1.00 0.00 C ATOM 477 C GLY A 49 7.194 0.809 9.079 1.00 0.00 C ATOM 478 O GLY A 49 8.078 0.094 8.612 1.00 0.00 O ATOM 0 H GLY A 49 5.981 1.225 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.866 2.638 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.520 2.845 9.266 1.00 0.00 H new ATOM 482 N ASN A 50 6.399 0.409 10.076 1.00 0.00 N ATOM 483 CA ASN A 50 6.460 -0.896 10.758 1.00 0.00 C ATOM 484 C ASN A 50 5.219 -1.783 10.500 1.00 0.00 C ATOM 485 O ASN A 50 5.039 -2.815 11.148 1.00 0.00 O ATOM 486 CB ASN A 50 6.725 -0.651 12.256 1.00 0.00 C ATOM 487 CG ASN A 50 5.559 0.012 12.971 1.00 0.00 C ATOM 488 OD1 ASN A 50 5.454 1.230 13.042 1.00 0.00 O ATOM 489 ND2 ASN A 50 4.641 -0.755 13.514 1.00 0.00 N ATOM 0 H ASN A 50 5.663 1.008 10.449 1.00 0.00 H new ATOM 0 HA ASN A 50 7.283 -1.474 10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.945 -1.603 12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.611 -0.026 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.844 -0.336 13.993 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.725 -1.770 13.457 1.00 0.00 H new ATOM 496 N CYS A 51 4.346 -1.369 9.578 1.00 0.00 N ATOM 497 CA CYS A 51 3.044 -1.973 9.283 1.00 0.00 C ATOM 498 C CYS A 51 2.713 -1.855 7.783 1.00 0.00 C ATOM 499 O CYS A 51 2.861 -0.787 7.177 1.00 0.00 O ATOM 500 CB CYS A 51 1.968 -1.321 10.181 1.00 0.00 C ATOM 501 SG CYS A 51 2.274 0.398 10.700 1.00 0.00 S ATOM 0 H CYS A 51 4.538 -0.561 8.986 1.00 0.00 H new ATOM 0 HA CYS A 51 3.070 -3.039 9.507 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.016 -1.353 9.651 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.855 -1.932 11.076 1.00 0.00 H new ATOM 506 N CYS A 52 2.270 -2.962 7.175 1.00 0.00 N ATOM 507 CA CYS A 52 1.856 -3.005 5.772 1.00 0.00 C ATOM 508 C CYS A 52 0.417 -2.484 5.579 1.00 0.00 C ATOM 509 O CYS A 52 -0.543 -3.260 5.591 1.00 0.00 O ATOM 510 CB CYS A 52 2.003 -4.416 5.188 1.00 0.00 C ATOM 511 SG CYS A 52 3.685 -5.072 5.058 1.00 0.00 S ATOM 0 H CYS A 52 2.189 -3.861 7.650 1.00 0.00 H new ATOM 0 HA CYS A 52 2.524 -2.339 5.226 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.417 -5.101 5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.558 -4.420 4.193 1.00 0.00 H new ATOM 516 N LYS A 53 0.254 -1.165 5.412 1.00 0.00 N ATOM 517 CA LYS A 53 -1.036 -0.529 5.094 1.00 0.00 C ATOM 518 C LYS A 53 -1.572 -1.006 3.736 1.00 0.00 C ATOM 519 O LYS A 53 -0.983 -0.735 2.688 1.00 0.00 O ATOM 520 CB LYS A 53 -0.901 1.004 5.159 1.00 0.00 C ATOM 521 CG LYS A 53 -2.271 1.696 5.033 1.00 0.00 C ATOM 522 CD LYS A 53 -2.239 3.228 5.180 1.00 0.00 C ATOM 523 CE LYS A 53 -2.350 3.743 6.628 1.00 0.00 C ATOM 524 NZ LYS A 53 -1.096 3.582 7.410 1.00 0.00 N ATOM 0 H LYS A 53 1.022 -0.499 5.494 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.770 -0.831 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.433 1.290 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.244 1.347 4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.699 1.448 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.940 1.287 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.311 3.601 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.056 3.652 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.626 4.797 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.156 3.211 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.147 4.163 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.977 2.583 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.286 3.887 6.834 1.00 0.00 H new ATOM 538 N VAL A 54 -2.696 -1.724 3.758 1.00 0.00 N ATOM 539 CA VAL A 54 -3.471 -2.081 2.559 1.00 0.00 C ATOM 540 C VAL A 54 -4.071 -0.831 1.893 1.00 0.00 C ATOM 541 O VAL A 54 -4.495 0.102 2.578 1.00 0.00 O ATOM 542 CB VAL A 54 -4.548 -3.126 2.918 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.666 -2.598 3.825 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.194 -3.736 1.671 1.00 0.00 C ATOM 0 H VAL A 54 -3.104 -2.082 4.622 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.802 -2.532 1.826 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.996 -3.885 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.379 -3.397 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.238 -2.248 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.177 -1.773 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.946 -4.466 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.667 -2.949 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.430 -4.228 1.069 1.00 0.00 H new ATOM 554 N TYR A 55 -4.133 -0.823 0.561 1.00 0.00 N ATOM 555 CA TYR A 55 -4.806 0.200 -0.251 1.00 0.00 C ATOM 556 C TYR A 55 -5.832 -0.448 -1.191 1.00 0.00 C ATOM 557 O TYR A 55 -5.642 -1.574 -1.656 1.00 0.00 O ATOM 558 CB TYR A 55 -3.770 1.028 -1.033 1.00 0.00 C ATOM 559 CG TYR A 55 -3.126 2.157 -0.241 1.00 0.00 C ATOM 560 CD1 TYR A 55 -2.129 1.887 0.719 1.00 0.00 C ATOM 561 CD2 TYR A 55 -3.524 3.490 -0.468 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.527 2.937 1.438 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.933 4.545 0.254 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.930 4.270 1.212 1.00 0.00 C ATOM 565 OH TYR A 55 -1.356 5.281 1.919 1.00 0.00 O ATOM 0 H TYR A 55 -3.702 -1.553 -0.005 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.346 0.877 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.986 0.360 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.253 1.451 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.825 0.867 0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.288 3.704 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.756 2.722 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.246 5.563 0.076 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.746 6.136 1.642 1.00 0.00 H new ATOM 575 N GLU A 56 -6.916 0.278 -1.479 1.00 0.00 N ATOM 576 CA GLU A 56 -8.081 -0.176 -2.254 1.00 0.00 C ATOM 577 C GLU A 56 -8.443 0.851 -3.335 1.00 0.00 C ATOM 578 O GLU A 56 -8.610 2.038 -3.040 1.00 0.00 O ATOM 579 CB GLU A 56 -9.298 -0.380 -1.332 1.00 0.00 C ATOM 580 CG GLU A 56 -9.102 -1.453 -0.255 1.00 0.00 C ATOM 581 CD GLU A 56 -10.386 -1.606 0.584 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.540 -0.893 1.605 1.00 0.00 O ATOM 583 OE2 GLU A 56 -11.258 -2.436 0.226 1.00 0.00 O ATOM 0 H GLU A 56 -7.013 1.244 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.819 -1.123 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.533 0.567 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.160 -0.648 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.848 -2.405 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.267 -1.182 0.391 1.00 0.00 H new ATOM 590 N GLY A 57 -8.566 0.408 -4.589 1.00 0.00 N ATOM 591 CA GLY A 57 -8.827 1.273 -5.745 1.00 0.00 C ATOM 592 C GLY A 57 -8.060 0.836 -6.992 1.00 0.00 C ATOM 593 O GLY A 57 -7.471 -0.243 -7.033 1.00 0.00 O ATOM 0 H GLY A 57 -8.486 -0.579 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.895 1.271 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.554 2.298 -5.496 1.00 0.00 H new ATOM 597 N CYS A 58 -8.033 1.684 -8.016 1.00 0.00 N ATOM 598 CA CYS A 58 -7.168 1.521 -9.186 1.00 0.00 C ATOM 599 C CYS A 58 -5.673 1.750 -8.836 1.00 0.00 C ATOM 600 O CYS A 58 -5.087 2.763 -9.213 1.00 0.00 O ATOM 601 CB CYS A 58 -7.680 2.464 -10.285 1.00 0.00 C ATOM 602 SG CYS A 58 -6.955 2.152 -11.913 1.00 0.00 S ATOM 0 H CYS A 58 -8.620 2.517 -8.059 1.00 0.00 H new ATOM 0 HA CYS A 58 -7.214 0.494 -9.550 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.764 2.369 -10.356 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -7.469 3.493 -9.995 1.00 0.00 H new ATOM 607 N TYR A 59 -5.049 0.825 -8.098 1.00 0.00 N ATOM 608 CA TYR A 59 -3.629 0.850 -7.710 1.00 0.00 C ATOM 609 C TYR A 59 -2.879 -0.343 -8.322 1.00 0.00 C ATOM 610 O TYR A 59 -3.360 -1.477 -8.284 1.00 0.00 O ATOM 611 CB TYR A 59 -3.481 0.824 -6.179 1.00 0.00 C ATOM 612 CG TYR A 59 -3.931 2.075 -5.446 1.00 0.00 C ATOM 613 CD1 TYR A 59 -5.291 2.253 -5.139 1.00 0.00 C ATOM 614 CD2 TYR A 59 -2.987 3.035 -5.031 1.00 0.00 C ATOM 615 CE1 TYR A 59 -5.723 3.394 -4.438 1.00 0.00 C ATOM 616 CE2 TYR A 59 -3.406 4.163 -4.298 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.773 4.341 -3.993 1.00 0.00 C ATOM 618 OH TYR A 59 -5.166 5.426 -3.271 1.00 0.00 O ATOM 0 H TYR A 59 -5.537 0.004 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.195 1.775 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.048 -0.023 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.434 0.643 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.011 1.508 -5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.943 2.906 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.774 3.545 -4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.681 4.892 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.383 5.971 -3.047 1.00 0.00 H new ATOM 628 N THR A 60 -1.682 -0.090 -8.859 1.00 0.00 N ATOM 629 CA THR A 60 -0.831 -1.080 -9.557 1.00 0.00 C ATOM 630 C THR A 60 0.622 -1.120 -9.060 1.00 0.00 C ATOM 631 O THR A 60 1.374 -2.024 -9.430 1.00 0.00 O ATOM 632 CB THR A 60 -0.833 -0.820 -11.074 1.00 0.00 C ATOM 633 OG1 THR A 60 -0.410 0.505 -11.338 1.00 0.00 O ATOM 634 CG2 THR A 60 -2.218 -1.002 -11.700 1.00 0.00 C ATOM 0 H THR A 60 -1.258 0.837 -8.823 1.00 0.00 H new ATOM 0 HA THR A 60 -1.273 -2.050 -9.329 1.00 0.00 H new ATOM 0 HB THR A 60 -0.152 -1.549 -11.513 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.412 0.662 -12.305 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.162 -0.806 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.560 -2.024 -11.535 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.919 -0.306 -11.240 1.00 0.00 H new ATOM 642 N GLY A 61 1.023 -0.176 -8.200 1.00 0.00 N ATOM 643 CA GLY A 61 2.363 -0.081 -7.608 1.00 0.00 C ATOM 644 C GLY A 61 2.518 -0.892 -6.316 1.00 0.00 C ATOM 645 O GLY A 61 1.622 -1.640 -5.913 1.00 0.00 O ATOM 0 H GLY A 61 0.401 0.569 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.098 -0.426 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.587 0.965 -7.400 1.00 0.00 H new ATOM 649 N GLY A 62 3.676 -0.748 -5.664 1.00 0.00 N ATOM 650 CA GLY A 62 4.003 -1.430 -4.406 1.00 0.00 C ATOM 651 C GLY A 62 4.033 -2.957 -4.509 1.00 0.00 C ATOM 652 O GLY A 62 3.939 -3.536 -5.598 1.00 0.00 O ATOM 0 H GLY A 62 4.426 -0.144 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.976 -1.081 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.273 -1.142 -3.649 1.00 0.00 H new ATOM 656 N TYR A 63 4.181 -3.623 -3.366 1.00 0.00 N ATOM 657 CA TYR A 63 4.217 -5.084 -3.281 1.00 0.00 C ATOM 658 C TYR A 63 2.845 -5.714 -3.579 1.00 0.00 C ATOM 659 O TYR A 63 1.799 -5.248 -3.112 1.00 0.00 O ATOM 660 CB TYR A 63 4.739 -5.507 -1.904 1.00 0.00 C ATOM 661 CG TYR A 63 6.090 -4.911 -1.554 1.00 0.00 C ATOM 662 CD1 TYR A 63 7.262 -5.463 -2.108 1.00 0.00 C ATOM 663 CD2 TYR A 63 6.173 -3.789 -0.705 1.00 0.00 C ATOM 664 CE1 TYR A 63 8.519 -4.910 -1.797 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.429 -3.236 -0.390 1.00 0.00 C ATOM 666 CZ TYR A 63 8.606 -3.797 -0.933 1.00 0.00 C ATOM 667 OH TYR A 63 9.817 -3.251 -0.634 1.00 0.00 O ATOM 0 H TYR A 63 4.280 -3.160 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 63 4.898 -5.454 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.014 -5.213 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.812 -6.594 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.196 -6.312 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.273 -3.353 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.416 -5.337 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.492 -2.382 0.268 1.00 0.00 H new ATOM 0 HH TYR A 63 9.693 -2.492 -0.027 1.00 0.00 H new ATOM 677 N SER A 64 2.856 -6.797 -4.361 1.00 0.00 N ATOM 678 CA SER A 64 1.647 -7.523 -4.788 1.00 0.00 C ATOM 679 C SER A 64 1.101 -8.495 -3.727 1.00 0.00 C ATOM 680 O SER A 64 -0.036 -8.958 -3.844 1.00 0.00 O ATOM 681 CB SER A 64 1.942 -8.267 -6.098 1.00 0.00 C ATOM 682 OG SER A 64 0.759 -8.447 -6.858 1.00 0.00 O ATOM 0 H SER A 64 3.718 -7.204 -4.724 1.00 0.00 H new ATOM 0 HA SER A 64 0.863 -6.780 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.672 -7.707 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.388 -9.237 -5.877 1.00 0.00 H new ATOM 0 HG SER A 64 0.973 -8.922 -7.688 1.00 0.00 H new ATOM 688 N ARG A 65 1.882 -8.790 -2.674 1.00 0.00 N ATOM 689 CA ARG A 65 1.553 -9.690 -1.566 1.00 0.00 C ATOM 690 C ARG A 65 1.822 -9.016 -0.217 1.00 0.00 C ATOM 691 O ARG A 65 2.825 -8.324 -0.052 1.00 0.00 O ATOM 692 CB ARG A 65 2.410 -10.962 -1.728 1.00 0.00 C ATOM 693 CG ARG A 65 1.813 -12.146 -0.967 1.00 0.00 C ATOM 694 CD ARG A 65 2.820 -13.285 -0.740 1.00 0.00 C ATOM 695 NE ARG A 65 3.340 -13.857 -2.000 1.00 0.00 N ATOM 696 CZ ARG A 65 2.883 -14.903 -2.669 1.00 0.00 C ATOM 697 NH1 ARG A 65 1.810 -15.548 -2.305 1.00 0.00 N ATOM 698 NH2 ARG A 65 3.506 -15.329 -3.730 1.00 0.00 N ATOM 0 H ARG A 65 2.811 -8.382 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 65 0.493 -9.945 -1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.492 -11.213 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.420 -10.769 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.441 -11.800 -0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.956 -12.531 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.654 -12.912 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.342 -14.074 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 65 4.151 -13.388 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.292 -15.250 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.489 -16.350 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.351 -14.856 -4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.149 -16.136 -4.242 1.00 0.00 H new ATOM 712 N MET A 66 0.985 -9.312 0.776 1.00 0.00 N ATOM 713 CA MET A 66 1.133 -8.863 2.171 1.00 0.00 C ATOM 714 C MET A 66 2.379 -9.437 2.885 1.00 0.00 C ATOM 715 O MET A 66 2.805 -8.915 3.914 1.00 0.00 O ATOM 716 CB MET A 66 -0.155 -9.230 2.920 1.00 0.00 C ATOM 717 CG MET A 66 -0.428 -8.307 4.107 1.00 0.00 C ATOM 718 SD MET A 66 -2.005 -8.664 4.928 1.00 0.00 S ATOM 719 CE MET A 66 -2.504 -6.973 5.339 1.00 0.00 C ATOM 0 H MET A 66 0.156 -9.889 0.633 1.00 0.00 H new ATOM 0 HA MET A 66 1.291 -7.785 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.997 -9.187 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.085 -10.259 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.382 -8.403 4.830 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.428 -7.272 3.764 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.464 -6.992 5.855 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.753 -6.519 5.986 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.596 -6.388 4.424 1.00 0.00 H new ATOM 729 N GLY A 67 2.997 -10.484 2.327 1.00 0.00 N ATOM 730 CA GLY A 67 4.300 -11.015 2.762 1.00 0.00 C ATOM 731 C GLY A 67 5.511 -10.334 2.105 1.00 0.00 C ATOM 732 O GLY A 67 6.557 -10.189 2.737 1.00 0.00 O ATOM 0 H GLY A 67 2.599 -11.000 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.380 -10.908 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.335 -12.082 2.544 1.00 0.00 H new ATOM 736 N GLU A 68 5.383 -9.878 0.852 1.00 0.00 N ATOM 737 CA GLU A 68 6.463 -9.231 0.083 1.00 0.00 C ATOM 738 C GLU A 68 6.858 -7.850 0.642 1.00 0.00 C ATOM 739 O GLU A 68 8.020 -7.458 0.547 1.00 0.00 O ATOM 740 CB GLU A 68 6.063 -9.112 -1.398 1.00 0.00 C ATOM 741 CG GLU A 68 6.268 -10.401 -2.205 1.00 0.00 C ATOM 742 CD GLU A 68 7.745 -10.603 -2.599 1.00 0.00 C ATOM 743 OE1 GLU A 68 8.182 -10.058 -3.640 1.00 0.00 O ATOM 744 OE2 GLU A 68 8.484 -11.309 -1.871 1.00 0.00 O ATOM 0 H GLU A 68 4.509 -9.948 0.331 1.00 0.00 H new ATOM 0 HA GLU A 68 7.341 -9.869 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.014 -8.821 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.643 -8.312 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.929 -11.255 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.653 -10.368 -3.105 1.00 0.00 H new ATOM 751 N CYS A 69 5.927 -7.139 1.287 1.00 0.00 N ATOM 752 CA CYS A 69 6.230 -5.939 2.073 1.00 0.00 C ATOM 753 C CYS A 69 6.914 -6.279 3.416 1.00 0.00 C ATOM 754 O CYS A 69 7.903 -5.646 3.797 1.00 0.00 O ATOM 755 CB CYS A 69 4.929 -5.141 2.264 1.00 0.00 C ATOM 756 SG CYS A 69 3.640 -5.972 3.230 1.00 0.00 S ATOM 0 H CYS A 69 4.936 -7.382 1.278 1.00 0.00 H new ATOM 0 HA CYS A 69 6.950 -5.325 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.171 -4.196 2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.524 -4.899 1.281 1.00 0.00 H new ATOM 761 N ALA A 70 6.416 -7.294 4.131 1.00 0.00 N ATOM 762 CA ALA A 70 6.817 -7.644 5.496 1.00 0.00 C ATOM 763 C ALA A 70 8.223 -8.271 5.611 1.00 0.00 C ATOM 764 O ALA A 70 8.857 -8.155 6.662 1.00 0.00 O ATOM 765 CB ALA A 70 5.749 -8.581 6.073 1.00 0.00 C ATOM 0 H ALA A 70 5.697 -7.916 3.761 1.00 0.00 H new ATOM 0 HA ALA A 70 6.888 -6.719 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.021 -8.859 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.785 -8.073 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.681 -9.478 5.457 1.00 0.00 H new ATOM 771 N ARG A 71 8.747 -8.893 4.542 1.00 0.00 N ATOM 772 CA ARG A 71 10.170 -9.295 4.435 1.00 0.00 C ATOM 773 C ARG A 71 11.139 -8.106 4.390 1.00 0.00 C ATOM 774 O ARG A 71 12.287 -8.239 4.815 1.00 0.00 O ATOM 775 CB ARG A 71 10.400 -10.207 3.211 1.00 0.00 C ATOM 776 CG ARG A 71 9.971 -9.561 1.885 1.00 0.00 C ATOM 777 CD ARG A 71 10.193 -10.443 0.656 1.00 0.00 C ATOM 778 NE ARG A 71 11.613 -10.532 0.266 1.00 0.00 N ATOM 779 CZ ARG A 71 12.071 -10.779 -0.949 1.00 0.00 C ATOM 780 NH1 ARG A 71 11.285 -11.050 -1.952 1.00 0.00 N ATOM 781 NH2 ARG A 71 13.352 -10.751 -1.187 1.00 0.00 N ATOM 0 H ARG A 71 8.196 -9.135 3.719 1.00 0.00 H new ATOM 0 HA ARG A 71 10.388 -9.849 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.457 -10.469 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.848 -11.137 3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.914 -9.302 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.521 -8.629 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.813 -11.444 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.616 -10.047 -0.179 1.00 0.00 H new ATOM 0 HE ARG A 71 12.305 -10.390 1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.275 -11.077 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.680 -11.235 -2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.006 -10.538 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.701 -10.942 -2.126 1.00 0.00 H new ATOM 795 N ASN A 72 10.697 -6.968 3.847 1.00 0.00 N ATOM 796 CA ASN A 72 11.534 -5.805 3.557 1.00 0.00 C ATOM 797 C ASN A 72 11.485 -4.763 4.688 1.00 0.00 C ATOM 798 O ASN A 72 12.525 -4.314 5.173 1.00 0.00 O ATOM 799 CB ASN A 72 11.098 -5.219 2.202 1.00 0.00 C ATOM 800 CG ASN A 72 12.239 -4.454 1.562 1.00 0.00 C ATOM 801 OD1 ASN A 72 12.379 -3.248 1.696 1.00 0.00 O ATOM 802 ND2 ASN A 72 13.115 -5.155 0.876 1.00 0.00 N ATOM 0 H ASN A 72 9.720 -6.829 3.591 1.00 0.00 H new ATOM 0 HA ASN A 72 12.578 -6.113 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.774 -6.022 1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.243 -4.558 2.343 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.918 -4.692 0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.991 -6.162 0.769 1.00 0.00 H new ATOM 809 N CYS A 73 10.275 -4.406 5.129 1.00 0.00 N ATOM 810 CA CYS A 73 10.035 -3.612 6.335 1.00 0.00 C ATOM 811 C CYS A 73 10.392 -4.384 7.633 1.00 0.00 C ATOM 812 O CYS A 73 10.457 -5.617 7.619 1.00 0.00 O ATOM 813 CB CYS A 73 8.568 -3.153 6.308 1.00 0.00 C ATOM 814 SG CYS A 73 8.361 -1.607 5.385 1.00 0.00 S ATOM 0 H CYS A 73 9.416 -4.668 4.645 1.00 0.00 H new ATOM 0 HA CYS A 73 10.692 -2.742 6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.952 -3.931 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.211 -3.017 7.329 1.00 0.00 H new ATOM 819 N PRO A 74 10.610 -3.691 8.772 1.00 0.00 N ATOM 820 CA PRO A 74 11.013 -4.322 10.036 1.00 0.00 C ATOM 821 C PRO A 74 9.893 -5.123 10.730 1.00 0.00 C ATOM 822 O PRO A 74 10.192 -6.044 11.499 1.00 0.00 O ATOM 823 CB PRO A 74 11.500 -3.168 10.921 1.00 0.00 C ATOM 824 CG PRO A 74 10.717 -1.962 10.405 1.00 0.00 C ATOM 825 CD PRO A 74 10.628 -2.240 8.906 1.00 0.00 C ATOM 0 HA PRO A 74 11.784 -5.069 9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.295 -3.357 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.575 -3.017 10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.731 -1.892 10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.232 -1.024 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.729 -1.797 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.478 -1.809 8.377 1.00 0.00 H new ATOM 833 N GLY A 75 8.619 -4.805 10.451 1.00 0.00 N ATOM 834 CA GLY A 75 7.421 -5.421 11.051 1.00 0.00 C ATOM 835 C GLY A 75 7.368 -5.352 12.583 1.00 0.00 C ATOM 836 O GLY A 75 7.739 -4.305 13.159 1.00 0.00 O ATOM 837 OXT GLY A 75 6.933 -6.352 13.198 1.00 0.00 O ATOM 0 H GLY A 75 8.384 -4.081 9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.535 -4.931 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.374 -6.466 10.745 1.00 0.00 H new TER 841 GLY A 75