USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 267 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.44) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -79:sc= 0.944 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.96 K(o=-4,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.316 0.267 -0.037 1.00 0.00 N ATOM 2 CA GLY A 1 2.071 0.015 -1.250 1.00 0.00 C ATOM 3 C GLY A 1 3.350 0.825 -1.316 1.00 0.00 C ATOM 4 O GLY A 1 3.348 1.966 -1.781 1.00 0.00 O ATOM 0 H1 GLY A 1 0.451 -0.310 -0.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.895 0.019 0.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.060 1.274 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.313 -1.046 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.451 0.250 -2.115 1.00 0.00 H new ATOM 8 N CYS A 2 4.446 0.237 -0.849 1.00 0.00 N ATOM 9 CA CYS A 2 5.738 0.911 -0.855 1.00 0.00 C ATOM 10 C CYS A 2 6.868 -0.079 -1.126 1.00 0.00 C ATOM 11 O CYS A 2 6.675 -1.292 -1.046 1.00 0.00 O ATOM 12 CB CYS A 2 5.974 1.617 0.482 1.00 0.00 C ATOM 13 SG CYS A 2 5.773 0.539 1.937 1.00 0.00 S ATOM 0 H CYS A 2 4.465 -0.706 -0.461 1.00 0.00 H new ATOM 0 HA CYS A 2 5.729 1.652 -1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.981 2.034 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.282 2.455 0.565 1.00 0.00 H new ATOM 18 N ILE A 3 8.044 0.449 -1.447 1.00 0.00 N ATOM 19 CA ILE A 3 9.204 -0.388 -1.729 1.00 0.00 C ATOM 20 C ILE A 3 10.000 -0.670 -0.459 1.00 0.00 C ATOM 21 O ILE A 3 10.503 0.248 0.187 1.00 0.00 O ATOM 22 CB ILE A 3 10.132 0.268 -2.768 1.00 0.00 C ATOM 23 CG1 ILE A 3 9.346 0.633 -4.029 1.00 0.00 C ATOM 24 CG2 ILE A 3 11.287 -0.662 -3.109 1.00 0.00 C ATOM 25 CD1 ILE A 3 9.438 2.098 -4.396 1.00 0.00 C ATOM 0 H ILE A 3 8.219 1.451 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 3 8.825 -1.327 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 3 10.541 1.183 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.714 0.034 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.299 0.368 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.934 -0.184 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.860 -0.877 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.896 -1.593 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.857 2.284 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.043 2.703 -3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.480 2.364 -4.574 1.00 0.00 H new ATOM 37 N ALA A 4 10.111 -1.947 -0.109 1.00 0.00 N ATOM 38 CA ALA A 4 10.849 -2.351 1.081 1.00 0.00 C ATOM 39 C ALA A 4 12.353 -2.334 0.827 1.00 0.00 C ATOM 40 O ALA A 4 12.799 -2.235 -0.316 1.00 0.00 O ATOM 41 CB ALA A 4 10.405 -3.734 1.534 1.00 0.00 C ATOM 0 H ALA A 4 9.699 -2.719 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 4 10.632 -1.634 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.965 -4.023 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.340 -3.717 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.592 -4.455 0.738 1.00 0.00 H new ATOM 47 N LYS A 5 13.131 -2.430 1.900 1.00 0.00 N ATOM 48 CA LYS A 5 14.585 -2.425 1.794 1.00 0.00 C ATOM 49 C LYS A 5 15.094 -3.753 1.242 1.00 0.00 C ATOM 50 O LYS A 5 15.730 -4.529 1.954 1.00 0.00 O ATOM 51 CB LYS A 5 15.215 -2.154 3.162 1.00 0.00 C ATOM 52 CG LYS A 5 14.698 -3.065 4.262 1.00 0.00 C ATOM 53 CD LYS A 5 15.586 -3.013 5.494 1.00 0.00 C ATOM 54 CE LYS A 5 15.667 -4.368 6.180 1.00 0.00 C ATOM 55 NZ LYS A 5 15.819 -4.234 7.655 1.00 0.00 N ATOM 0 H LYS A 5 12.778 -2.512 2.854 1.00 0.00 H new ATOM 0 HA LYS A 5 14.872 -1.631 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.296 -2.270 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.025 -1.118 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.683 -2.772 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.646 -4.089 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.587 -2.688 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.197 -2.273 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.767 -4.942 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.510 -4.929 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.871 -5.179 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.691 -3.708 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.002 -3.721 8.043 1.00 0.00 H new ATOM 69 N ASN A 6 14.811 -4.006 -0.031 1.00 0.00 N ATOM 70 CA ASN A 6 15.242 -5.240 -0.679 1.00 0.00 C ATOM 71 C ASN A 6 14.733 -5.306 -2.116 1.00 0.00 C ATOM 72 O ASN A 6 15.349 -5.936 -2.976 1.00 0.00 O ATOM 73 CB ASN A 6 14.742 -6.454 0.106 1.00 0.00 C ATOM 74 CG ASN A 6 14.843 -7.740 -0.691 1.00 0.00 C ATOM 75 OD1 ASN A 6 15.880 -8.035 -1.285 1.00 0.00 O ATOM 76 ND2 ASN A 6 13.763 -8.512 -0.707 1.00 0.00 N ATOM 0 H ASN A 6 14.285 -3.374 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 6 16.332 -5.250 -0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.321 -6.553 1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.705 -6.292 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.771 -9.390 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.925 -8.227 -0.200 1.00 0.00 H new ATOM 83 N LYS A 7 13.606 -4.651 -2.370 1.00 0.00 N ATOM 84 CA LYS A 7 13.014 -4.632 -3.702 1.00 0.00 C ATOM 85 C LYS A 7 13.617 -3.516 -4.550 1.00 0.00 C ATOM 86 O LYS A 7 13.956 -2.450 -4.037 1.00 0.00 O ATOM 87 CB LYS A 7 11.497 -4.452 -3.607 1.00 0.00 C ATOM 88 CG LYS A 7 10.818 -5.479 -2.718 1.00 0.00 C ATOM 89 CD LYS A 7 9.789 -6.290 -3.488 1.00 0.00 C ATOM 90 CE LYS A 7 9.397 -7.552 -2.735 1.00 0.00 C ATOM 91 NZ LYS A 7 8.413 -8.369 -3.497 1.00 0.00 N ATOM 0 H LYS A 7 13.083 -4.125 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 7 13.231 -5.587 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.281 -3.454 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.069 -4.510 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.568 -6.148 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.333 -4.974 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.903 -5.681 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.192 -6.558 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.288 -8.148 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.973 -7.281 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.171 -9.220 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.553 -7.809 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.827 -8.649 -4.409 1.00 0.00 H new ATOM 105 N GLU A 8 13.745 -3.769 -5.848 1.00 0.00 N ATOM 106 CA GLU A 8 14.307 -2.784 -6.766 1.00 0.00 C ATOM 107 C GLU A 8 13.385 -1.575 -6.897 1.00 0.00 C ATOM 108 O GLU A 8 12.167 -1.691 -6.760 1.00 0.00 O ATOM 109 CB GLU A 8 14.542 -3.412 -8.141 1.00 0.00 C ATOM 110 CG GLU A 8 13.298 -3.449 -9.014 1.00 0.00 C ATOM 111 CD GLU A 8 13.534 -4.152 -10.336 1.00 0.00 C ATOM 112 OE1 GLU A 8 13.943 -3.476 -11.303 1.00 0.00 O ATOM 113 OE2 GLU A 8 13.309 -5.379 -10.404 1.00 0.00 O ATOM 0 H GLU A 8 13.468 -4.646 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 8 15.261 -2.449 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.322 -2.853 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.913 -4.428 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.496 -3.955 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.961 -2.430 -9.204 1.00 0.00 H new ATOM 120 N CYS A 9 13.975 -0.414 -7.162 1.00 0.00 N ATOM 121 CA CYS A 9 13.210 0.817 -7.310 1.00 0.00 C ATOM 122 C CYS A 9 13.916 1.786 -8.254 1.00 0.00 C ATOM 123 O CYS A 9 15.144 1.804 -8.337 1.00 0.00 O ATOM 124 CB CYS A 9 12.998 1.478 -5.947 1.00 0.00 C ATOM 125 SG CYS A 9 14.536 1.770 -5.015 1.00 0.00 S ATOM 0 H CYS A 9 14.982 -0.301 -7.279 1.00 0.00 H new ATOM 0 HA CYS A 9 12.240 0.563 -7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.488 2.430 -6.092 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.337 0.850 -5.349 1.00 0.00 H new ATOM 130 N ALA A 10 13.131 2.592 -8.962 1.00 0.00 N ATOM 131 CA ALA A 10 13.681 3.565 -9.898 1.00 0.00 C ATOM 132 C ALA A 10 13.581 4.980 -9.339 1.00 0.00 C ATOM 133 O ALA A 10 12.658 5.298 -8.589 1.00 0.00 O ATOM 134 CB ALA A 10 12.965 3.472 -11.237 1.00 0.00 C ATOM 0 H ALA A 10 12.113 2.590 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 10 14.736 3.335 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.386 4.204 -11.926 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.092 2.471 -11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.903 3.674 -11.097 1.00 0.00 H new ATOM 140 N TRP A 11 14.537 5.826 -9.708 1.00 0.00 N ATOM 141 CA TRP A 11 14.556 7.208 -9.243 1.00 0.00 C ATOM 142 C TRP A 11 13.336 7.970 -9.748 1.00 0.00 C ATOM 143 O TRP A 11 13.021 9.054 -9.257 1.00 0.00 O ATOM 144 CB TRP A 11 15.836 7.905 -9.705 1.00 0.00 C ATOM 145 CG TRP A 11 16.991 7.710 -8.770 1.00 0.00 C ATOM 146 CD1 TRP A 11 17.080 6.796 -7.759 1.00 0.00 C ATOM 147 CD2 TRP A 11 18.219 8.446 -8.758 1.00 0.00 C ATOM 148 NE1 TRP A 11 18.290 6.920 -7.119 1.00 0.00 N ATOM 149 CE2 TRP A 11 19.007 7.924 -7.714 1.00 0.00 C ATOM 150 CE3 TRP A 11 18.730 9.493 -9.530 1.00 0.00 C ATOM 151 CZ2 TRP A 11 20.277 8.416 -7.423 1.00 0.00 C ATOM 152 CZ3 TRP A 11 19.990 9.980 -9.240 1.00 0.00 C ATOM 153 CH2 TRP A 11 20.752 9.442 -8.194 1.00 0.00 C ATOM 0 H TRP A 11 15.309 5.579 -10.328 1.00 0.00 H new ATOM 0 HA TRP A 11 14.529 7.199 -8.153 1.00 0.00 H new ATOM 0 HB2 TRP A 11 16.109 7.530 -10.691 1.00 0.00 H new ATOM 0 HB3 TRP A 11 15.641 8.972 -9.812 1.00 0.00 H new ATOM 0 HD1 TRP A 11 16.313 6.081 -7.501 1.00 0.00 H new ATOM 0 HE1 TRP A 11 18.603 6.356 -6.329 1.00 0.00 H new ATOM 0 HE3 TRP A 11 18.151 9.914 -10.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 20.866 8.003 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 20.395 10.789 -9.830 1.00 0.00 H new ATOM 0 HH2 TRP A 11 21.733 9.845 -7.992 1.00 0.00 H new ATOM 164 N PHE A 12 12.651 7.396 -10.732 1.00 0.00 N ATOM 165 CA PHE A 12 11.465 8.022 -11.305 1.00 0.00 C ATOM 166 C PHE A 12 10.321 7.019 -11.417 1.00 0.00 C ATOM 167 O PHE A 12 9.378 7.220 -12.182 1.00 0.00 O ATOM 168 CB PHE A 12 11.785 8.605 -12.683 1.00 0.00 C ATOM 169 CG PHE A 12 10.998 9.842 -13.008 1.00 0.00 C ATOM 170 CD1 PHE A 12 11.341 11.063 -12.451 1.00 0.00 C ATOM 171 CD2 PHE A 12 9.915 9.783 -13.871 1.00 0.00 C ATOM 172 CE1 PHE A 12 10.619 12.204 -12.749 1.00 0.00 C ATOM 173 CE2 PHE A 12 9.190 10.921 -14.172 1.00 0.00 C ATOM 174 CZ PHE A 12 9.542 12.132 -13.610 1.00 0.00 C ATOM 0 H PHE A 12 12.897 6.498 -11.149 1.00 0.00 H new ATOM 0 HA PHE A 12 11.154 8.828 -10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.849 8.837 -12.732 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.589 7.849 -13.443 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.182 11.125 -11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.635 8.838 -14.313 1.00 0.00 H new ATOM 0 HE1 PHE A 12 10.897 13.150 -12.309 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.349 10.863 -14.847 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.976 13.022 -13.843 1.00 0.00 H new ATOM 184 N SER A 13 10.412 5.939 -10.648 1.00 0.00 N ATOM 185 CA SER A 13 9.387 4.902 -10.663 1.00 0.00 C ATOM 186 C SER A 13 8.028 5.474 -10.270 1.00 0.00 C ATOM 187 O SER A 13 6.987 4.882 -10.552 1.00 0.00 O ATOM 188 CB SER A 13 9.768 3.765 -9.713 1.00 0.00 C ATOM 189 OG SER A 13 10.023 4.254 -8.408 1.00 0.00 O ATOM 0 H SER A 13 11.185 5.759 -10.007 1.00 0.00 H new ATOM 0 HA SER A 13 9.317 4.511 -11.678 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.963 3.031 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.652 3.252 -10.091 1.00 0.00 H new ATOM 0 HG SER A 13 10.924 4.638 -8.373 1.00 0.00 H new ATOM 195 N GLY A 14 8.048 6.632 -9.616 1.00 0.00 N ATOM 196 CA GLY A 14 6.812 7.266 -9.194 1.00 0.00 C ATOM 197 C GLY A 14 6.395 6.851 -7.797 1.00 0.00 C ATOM 198 O GLY A 14 5.578 7.517 -7.164 1.00 0.00 O ATOM 0 H GLY A 14 8.897 7.142 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.933 8.349 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.019 7.012 -9.897 1.00 0.00 H new ATOM 202 N GLU A 15 6.958 5.746 -7.317 1.00 0.00 N ATOM 203 CA GLU A 15 6.636 5.243 -5.987 1.00 0.00 C ATOM 204 C GLU A 15 7.733 5.603 -4.989 1.00 0.00 C ATOM 205 O GLU A 15 8.752 6.189 -5.356 1.00 0.00 O ATOM 206 CB GLU A 15 6.445 3.725 -6.024 1.00 0.00 C ATOM 207 CG GLU A 15 7.517 2.995 -6.815 1.00 0.00 C ATOM 208 CD GLU A 15 7.432 1.489 -6.661 1.00 0.00 C ATOM 209 OE1 GLU A 15 6.415 1.003 -6.125 1.00 0.00 O ATOM 210 OE2 GLU A 15 8.385 0.796 -7.077 1.00 0.00 O ATOM 0 H GLU A 15 7.638 5.183 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 15 5.706 5.712 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.436 3.344 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.470 3.501 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.425 3.254 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.500 3.335 -6.488 1.00 0.00 H new ATOM 217 N TRP A 16 7.517 5.250 -3.727 1.00 0.00 N ATOM 218 CA TRP A 16 8.486 5.536 -2.676 1.00 0.00 C ATOM 219 C TRP A 16 8.705 4.315 -1.789 1.00 0.00 C ATOM 220 O TRP A 16 7.841 3.443 -1.693 1.00 0.00 O ATOM 221 CB TRP A 16 8.016 6.720 -1.829 1.00 0.00 C ATOM 222 CG TRP A 16 7.326 7.784 -2.627 1.00 0.00 C ATOM 223 CD1 TRP A 16 7.813 8.430 -3.727 1.00 0.00 C ATOM 224 CD2 TRP A 16 6.023 8.328 -2.384 1.00 0.00 C ATOM 225 NE1 TRP A 16 6.893 9.342 -4.183 1.00 0.00 N ATOM 226 CE2 TRP A 16 5.786 9.299 -3.378 1.00 0.00 C ATOM 227 CE3 TRP A 16 5.034 8.089 -1.427 1.00 0.00 C ATOM 228 CZ2 TRP A 16 4.601 10.027 -3.437 1.00 0.00 C ATOM 229 CZ3 TRP A 16 3.859 8.813 -1.488 1.00 0.00 C ATOM 230 CH2 TRP A 16 3.650 9.773 -2.487 1.00 0.00 C ATOM 0 H TRP A 16 6.679 4.765 -3.407 1.00 0.00 H new ATOM 0 HA TRP A 16 9.434 5.791 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 16 7.338 6.358 -1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.875 7.157 -1.320 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.780 8.250 -4.173 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.015 9.953 -4.991 1.00 0.00 H new ATOM 0 HE3 TRP A 16 5.185 7.351 -0.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.438 10.767 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 3.088 8.636 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.721 10.323 -2.507 1.00 0.00 H new ATOM 241 N CYS A 17 9.864 4.259 -1.142 1.00 0.00 N ATOM 242 CA CYS A 17 10.196 3.145 -0.263 1.00 0.00 C ATOM 243 C CYS A 17 9.412 3.230 1.043 1.00 0.00 C ATOM 244 O CYS A 17 8.852 4.275 1.377 1.00 0.00 O ATOM 245 CB CYS A 17 11.698 3.129 0.030 1.00 0.00 C ATOM 246 SG CYS A 17 12.745 3.360 -1.442 1.00 0.00 S ATOM 0 H CYS A 17 10.589 4.973 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 17 9.922 2.220 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.925 3.914 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.955 2.180 0.501 1.00 0.00 H new ATOM 251 N CYS A 18 9.377 2.124 1.779 1.00 0.00 N ATOM 252 CA CYS A 18 8.662 2.072 3.048 1.00 0.00 C ATOM 253 C CYS A 18 9.417 2.839 4.130 1.00 0.00 C ATOM 254 O CYS A 18 10.574 3.215 3.945 1.00 0.00 O ATOM 255 CB CYS A 18 8.460 0.619 3.485 1.00 0.00 C ATOM 256 SG CYS A 18 7.517 -0.390 2.297 1.00 0.00 S ATOM 0 H CYS A 18 9.836 1.251 1.518 1.00 0.00 H new ATOM 0 HA CYS A 18 7.688 2.541 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.436 0.159 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.944 0.608 4.445 1.00 0.00 H new ATOM 261 N GLY A 19 8.754 3.067 5.259 1.00 0.00 N ATOM 262 CA GLY A 19 9.377 3.788 6.353 1.00 0.00 C ATOM 263 C GLY A 19 9.982 5.106 5.910 1.00 0.00 C ATOM 264 O GLY A 19 9.267 6.011 5.482 1.00 0.00 O ATOM 0 H GLY A 19 7.796 2.765 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.635 3.975 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.154 3.166 6.798 1.00 0.00 H new ATOM 268 N ALA A 20 11.303 5.213 6.013 1.00 0.00 N ATOM 269 CA ALA A 20 12.003 6.430 5.619 1.00 0.00 C ATOM 270 C ALA A 20 13.320 6.103 4.923 1.00 0.00 C ATOM 271 O ALA A 20 14.327 6.782 5.127 1.00 0.00 O ATOM 272 CB ALA A 20 12.250 7.313 6.833 1.00 0.00 C ATOM 0 H ALA A 20 11.909 4.472 6.366 1.00 0.00 H new ATOM 0 HA ALA A 20 11.373 6.971 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.773 8.218 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.296 7.582 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.858 6.772 7.559 1.00 0.00 H new ATOM 278 N LEU A 21 13.306 5.061 4.100 1.00 0.00 N ATOM 279 CA LEU A 21 14.500 4.644 3.373 1.00 0.00 C ATOM 280 C LEU A 21 14.485 5.183 1.946 1.00 0.00 C ATOM 281 O LEU A 21 13.427 5.498 1.402 1.00 0.00 O ATOM 282 CB LEU A 21 14.602 3.118 3.353 1.00 0.00 C ATOM 283 CG LEU A 21 14.247 2.404 4.658 1.00 0.00 C ATOM 284 CD1 LEU A 21 13.808 0.974 4.381 1.00 0.00 C ATOM 285 CD2 LEU A 21 15.429 2.425 5.616 1.00 0.00 C ATOM 0 H LEU A 21 12.481 4.489 3.919 1.00 0.00 H new ATOM 0 HA LEU A 21 15.370 5.053 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.949 2.741 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.621 2.846 3.079 1.00 0.00 H new ATOM 0 HG LEU A 21 13.417 2.933 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.559 0.481 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.932 0.981 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.618 0.433 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.158 1.913 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.279 1.920 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.698 3.457 5.840 1.00 0.00 H new ATOM 297 N SER A 22 15.666 5.284 1.345 1.00 0.00 N ATOM 298 CA SER A 22 15.789 5.786 -0.019 1.00 0.00 C ATOM 299 C SER A 22 16.216 4.673 -0.971 1.00 0.00 C ATOM 300 O SER A 22 16.352 3.516 -0.572 1.00 0.00 O ATOM 301 CB SER A 22 16.799 6.934 -0.072 1.00 0.00 C ATOM 302 OG SER A 22 16.167 8.181 0.159 1.00 0.00 O ATOM 0 H SER A 22 16.551 5.025 1.781 1.00 0.00 H new ATOM 0 HA SER A 22 14.813 6.155 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.577 6.773 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.289 6.946 -1.045 1.00 0.00 H new ATOM 0 HG SER A 22 16.834 8.898 0.122 1.00 0.00 H new ATOM 308 N CYS A 23 16.426 5.032 -2.233 1.00 0.00 N ATOM 309 CA CYS A 23 16.837 4.066 -3.245 1.00 0.00 C ATOM 310 C CYS A 23 18.338 4.156 -3.505 1.00 0.00 C ATOM 311 O CYS A 23 18.812 5.088 -4.154 1.00 0.00 O ATOM 312 CB CYS A 23 16.068 4.300 -4.546 1.00 0.00 C ATOM 313 SG CYS A 23 14.314 3.812 -4.471 1.00 0.00 S ATOM 0 H CYS A 23 16.318 5.985 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 23 16.610 3.067 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 23 16.129 5.357 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 23 16.555 3.745 -5.348 1.00 0.00 H new ATOM 318 N LYS A 24 19.081 3.180 -2.995 1.00 0.00 N ATOM 319 CA LYS A 24 20.528 3.146 -3.172 1.00 0.00 C ATOM 320 C LYS A 24 20.943 1.954 -4.028 1.00 0.00 C ATOM 321 O LYS A 24 20.204 0.976 -4.149 1.00 0.00 O ATOM 322 CB LYS A 24 21.227 3.080 -1.813 1.00 0.00 C ATOM 323 CG LYS A 24 20.562 3.930 -0.744 1.00 0.00 C ATOM 324 CD LYS A 24 19.652 3.098 0.144 1.00 0.00 C ATOM 325 CE LYS A 24 18.752 3.978 0.998 1.00 0.00 C ATOM 326 NZ LYS A 24 19.502 4.624 2.111 1.00 0.00 N ATOM 0 H LYS A 24 18.704 2.401 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 24 20.828 4.060 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.252 2.043 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.262 3.403 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.326 4.412 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.984 4.724 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.040 2.441 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.256 2.459 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.296 4.746 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.940 3.377 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.854 5.215 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.916 3.891 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.261 5.217 1.720 1.00 0.00 H new ATOM 340 N TYR A 25 22.130 2.041 -4.619 1.00 0.00 N ATOM 341 CA TYR A 25 22.643 0.969 -5.464 1.00 0.00 C ATOM 342 C TYR A 25 23.232 -0.157 -4.620 1.00 0.00 C ATOM 343 O TYR A 25 24.092 0.074 -3.770 1.00 0.00 O ATOM 344 CB TYR A 25 23.704 1.512 -6.423 1.00 0.00 C ATOM 345 CG TYR A 25 24.370 0.441 -7.258 1.00 0.00 C ATOM 346 CD1 TYR A 25 25.492 -0.234 -6.793 1.00 0.00 C ATOM 347 CD2 TYR A 25 23.876 0.103 -8.512 1.00 0.00 C ATOM 348 CE1 TYR A 25 26.103 -1.212 -7.553 1.00 0.00 C ATOM 349 CE2 TYR A 25 24.480 -0.874 -9.278 1.00 0.00 C ATOM 350 CZ TYR A 25 25.594 -1.529 -8.794 1.00 0.00 C ATOM 351 OH TYR A 25 26.199 -2.504 -9.554 1.00 0.00 O ATOM 0 H TYR A 25 22.754 2.842 -4.528 1.00 0.00 H new ATOM 0 HA TYR A 25 21.811 0.567 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.242 2.243 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.466 2.039 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.893 0.010 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.004 0.613 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 25 26.975 -1.726 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 25 24.083 -1.124 -10.251 1.00 0.00 H new ATOM 0 HH TYR A 25 25.716 -2.606 -10.400 1.00 0.00 H new ATOM 361 N SER A 26 22.762 -1.376 -4.861 1.00 0.00 N ATOM 362 CA SER A 26 23.239 -2.539 -4.122 1.00 0.00 C ATOM 363 C SER A 26 24.214 -3.356 -4.964 1.00 0.00 C ATOM 364 O SER A 26 23.806 -4.177 -5.786 1.00 0.00 O ATOM 365 CB SER A 26 22.060 -3.416 -3.693 1.00 0.00 C ATOM 366 OG SER A 26 21.575 -3.030 -2.419 1.00 0.00 O ATOM 0 H SER A 26 22.051 -1.584 -5.562 1.00 0.00 H new ATOM 0 HA SER A 26 23.762 -2.184 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 21.259 -3.340 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.370 -4.461 -3.666 1.00 0.00 H new ATOM 0 HG SER A 26 21.199 -3.811 -1.962 1.00 0.00 H new ATOM 372 N ILE A 27 25.506 -3.124 -4.752 1.00 0.00 N ATOM 373 CA ILE A 27 26.540 -3.839 -5.490 1.00 0.00 C ATOM 374 C ILE A 27 26.345 -5.348 -5.389 1.00 0.00 C ATOM 375 O ILE A 27 26.422 -6.064 -6.387 1.00 0.00 O ATOM 376 CB ILE A 27 27.947 -3.478 -4.978 1.00 0.00 C ATOM 377 CG1 ILE A 27 28.064 -1.968 -4.762 1.00 0.00 C ATOM 378 CG2 ILE A 27 29.007 -3.962 -5.957 1.00 0.00 C ATOM 379 CD1 ILE A 27 28.011 -1.560 -3.307 1.00 0.00 C ATOM 0 H ILE A 27 25.861 -2.447 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 27 26.452 -3.534 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 27 28.108 -3.976 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 27 29.001 -1.619 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 27 27.259 -1.469 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 27 29.996 -3.700 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 27 28.935 -5.044 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 27 28.850 -3.489 -6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 27 28.100 -0.476 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.063 -1.878 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 27 28.832 -2.031 -2.767 1.00 0.00 H new ATOM 391 N LYS A 28 26.091 -5.825 -4.175 1.00 0.00 N ATOM 392 CA LYS A 28 25.882 -7.249 -3.941 1.00 0.00 C ATOM 393 C LYS A 28 24.760 -7.786 -4.824 1.00 0.00 C ATOM 394 O LYS A 28 24.831 -8.912 -5.318 1.00 0.00 O ATOM 395 CB LYS A 28 25.552 -7.502 -2.468 1.00 0.00 C ATOM 396 CG LYS A 28 24.465 -6.591 -1.924 1.00 0.00 C ATOM 397 CD LYS A 28 23.269 -7.386 -1.426 1.00 0.00 C ATOM 398 CE LYS A 28 23.415 -7.752 0.043 1.00 0.00 C ATOM 399 NZ LYS A 28 22.646 -6.829 0.923 1.00 0.00 N ATOM 0 H LYS A 28 26.025 -5.246 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 28 26.803 -7.773 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 28 25.240 -8.539 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 28 26.456 -7.370 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.868 -5.989 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.145 -5.900 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 28 22.359 -6.803 -1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.162 -8.294 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.070 -8.774 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.469 -7.725 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.771 -7.112 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.992 -5.857 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.637 -6.873 0.675 1.00 0.00 H new ATOM 413 N ARG A 29 23.727 -6.974 -5.019 1.00 0.00 N ATOM 414 CA ARG A 29 22.590 -7.368 -5.843 1.00 0.00 C ATOM 415 C ARG A 29 22.753 -6.860 -7.273 1.00 0.00 C ATOM 416 O ARG A 29 21.854 -7.006 -8.100 1.00 0.00 O ATOM 417 CB ARG A 29 21.289 -6.832 -5.244 1.00 0.00 C ATOM 418 CG ARG A 29 21.025 -7.316 -3.828 1.00 0.00 C ATOM 419 CD ARG A 29 19.700 -8.056 -3.730 1.00 0.00 C ATOM 420 NE ARG A 29 19.608 -9.143 -4.700 1.00 0.00 N ATOM 421 CZ ARG A 29 20.221 -10.313 -4.554 1.00 0.00 C ATOM 422 NH1 ARG A 29 20.966 -10.545 -3.483 1.00 0.00 N ATOM 423 NH2 ARG A 29 20.088 -11.253 -5.481 1.00 0.00 N ATOM 0 H ARG A 29 23.653 -6.039 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 29 22.549 -8.457 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 29 21.320 -5.742 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.456 -7.129 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.834 -7.973 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 29 21.019 -6.465 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.582 -8.457 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.881 -7.356 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 29 19.042 -8.996 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.070 -9.825 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.435 -11.444 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.515 -11.078 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.559 -12.151 -5.368 1.00 0.00 H new ATOM 437 N ASN A 30 23.905 -6.261 -7.555 1.00 0.00 N ATOM 438 CA ASN A 30 24.185 -5.730 -8.884 1.00 0.00 C ATOM 439 C ASN A 30 22.964 -5.013 -9.452 1.00 0.00 C ATOM 440 O ASN A 30 22.698 -5.072 -10.653 1.00 0.00 O ATOM 441 CB ASN A 30 24.613 -6.857 -9.827 1.00 0.00 C ATOM 442 CG ASN A 30 23.536 -7.912 -9.993 1.00 0.00 C ATOM 443 OD1 ASN A 30 22.466 -7.642 -10.539 1.00 0.00 O ATOM 444 ND2 ASN A 30 23.816 -9.121 -9.522 1.00 0.00 N ATOM 0 H ASN A 30 24.660 -6.131 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 30 24.999 -5.010 -8.796 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.860 -6.437 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.519 -7.324 -9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.131 -9.872 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.716 -9.299 -9.077 1.00 0.00 H new ATOM 451 N LEU A 31 22.224 -4.336 -8.580 1.00 0.00 N ATOM 452 CA LEU A 31 21.031 -3.606 -8.994 1.00 0.00 C ATOM 453 C LEU A 31 20.771 -2.420 -8.072 1.00 0.00 C ATOM 454 O LEU A 31 21.611 -2.069 -7.242 1.00 0.00 O ATOM 455 CB LEU A 31 19.817 -4.537 -9.000 1.00 0.00 C ATOM 456 CG LEU A 31 19.858 -5.688 -10.006 1.00 0.00 C ATOM 457 CD1 LEU A 31 18.785 -6.716 -9.685 1.00 0.00 C ATOM 458 CD2 LEU A 31 19.690 -5.163 -11.424 1.00 0.00 C ATOM 0 H LEU A 31 22.429 -4.278 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 31 21.198 -3.228 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 31 19.702 -4.958 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.927 -3.939 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 31 20.831 -6.174 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.830 -7.527 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 31 18.951 -7.115 -8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.804 -6.243 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.722 -5.996 -12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.732 -4.651 -11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.496 -4.465 -11.652 1.00 0.00 H new ATOM 470 N LYS A 32 19.602 -1.806 -8.220 1.00 0.00 N ATOM 471 CA LYS A 32 19.229 -0.660 -7.399 1.00 0.00 C ATOM 472 C LYS A 32 17.982 -0.964 -6.576 1.00 0.00 C ATOM 473 O LYS A 32 16.890 -1.127 -7.122 1.00 0.00 O ATOM 474 CB LYS A 32 18.985 0.567 -8.280 1.00 0.00 C ATOM 475 CG LYS A 32 20.232 1.066 -8.988 1.00 0.00 C ATOM 476 CD LYS A 32 20.397 0.417 -10.352 1.00 0.00 C ATOM 477 CE LYS A 32 19.317 0.872 -11.320 1.00 0.00 C ATOM 478 NZ LYS A 32 18.691 -0.276 -12.033 1.00 0.00 N ATOM 0 H LYS A 32 18.896 -2.083 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 32 20.052 -0.451 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.227 0.324 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.581 1.371 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.177 2.148 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.108 0.855 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.378 0.664 -10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.360 -0.667 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.550 1.423 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.748 1.560 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.960 0.076 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.418 -0.787 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.257 -0.920 -11.341 1.00 0.00 H new ATOM 492 N ILE A 33 18.151 -1.039 -5.260 1.00 0.00 N ATOM 493 CA ILE A 33 17.038 -1.321 -4.362 1.00 0.00 C ATOM 494 C ILE A 33 17.039 -0.370 -3.170 1.00 0.00 C ATOM 495 O ILE A 33 17.987 0.389 -2.967 1.00 0.00 O ATOM 496 CB ILE A 33 17.083 -2.772 -3.848 1.00 0.00 C ATOM 497 CG1 ILE A 33 18.098 -2.901 -2.710 1.00 0.00 C ATOM 498 CG2 ILE A 33 17.426 -3.725 -4.982 1.00 0.00 C ATOM 499 CD1 ILE A 33 18.417 -4.334 -2.346 1.00 0.00 C ATOM 0 H ILE A 33 19.048 -0.908 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 33 16.124 -1.177 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 33 16.098 -3.037 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.019 -2.393 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 33 17.712 -2.388 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.454 -4.747 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.670 -3.648 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 33 18.401 -3.464 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 33 19.143 -4.350 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 33 17.505 -4.840 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.833 -4.846 -3.214 1.00 0.00 H new ATOM 511 N CYS A 34 15.970 -0.418 -2.381 1.00 0.00 N ATOM 512 CA CYS A 34 15.847 0.438 -1.207 1.00 0.00 C ATOM 513 C CYS A 34 16.551 -0.185 -0.004 1.00 0.00 C ATOM 514 O CYS A 34 16.821 -1.386 0.018 1.00 0.00 O ATOM 515 CB CYS A 34 14.373 0.681 -0.880 1.00 0.00 C ATOM 516 SG CYS A 34 13.499 1.710 -2.103 1.00 0.00 S ATOM 0 H CYS A 34 15.177 -1.041 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 34 16.324 1.392 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.866 -0.281 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 34 14.303 1.159 0.097 1.00 0.00 H new ATOM 521 N VAL A 35 16.845 0.641 0.995 1.00 0.00 N ATOM 522 CA VAL A 35 17.515 0.172 2.202 1.00 0.00 C ATOM 523 C VAL A 35 16.872 0.761 3.452 1.00 0.00 C ATOM 524 O VAL A 35 16.952 0.183 4.536 1.00 0.00 O ATOM 525 CB VAL A 35 19.012 0.534 2.189 1.00 0.00 C ATOM 526 CG1 VAL A 35 19.694 0.031 3.452 1.00 0.00 C ATOM 527 CG2 VAL A 35 19.686 -0.031 0.948 1.00 0.00 C ATOM 0 H VAL A 35 16.630 1.638 0.992 1.00 0.00 H new ATOM 0 HA VAL A 35 17.411 -0.913 2.221 1.00 0.00 H new ATOM 0 HB VAL A 35 19.105 1.620 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.751 0.296 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.227 0.489 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 35 19.593 -1.053 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.743 0.234 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.584 -1.116 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.214 0.383 0.057 1.00 0.00 H new TER 537 VAL A 35