USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 263 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 27 LYS NZ :NH3+ -156:sc= 0.0647 (180deg=0.00321) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -59:sc= 0.916 USER MOD Single : A 4 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.35) USER MOD Single : A 6 SER OG : rot 32:sc= 0.226 USER MOD Single : A 8 SER OG : rot -54:sc= 0.682 USER MOD Single : A 10 SER OG : rot 180:sc= 0.258 USER MOD Single : A 11 SER OG : rot 180:sc= -0.112 USER MOD Single : A 12 GLN : amide:sc= -4.87! C(o=-4.9!,f=-4.1!) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0279 (180deg=-0.347) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0341 (180deg=-0.259) USER MOD Single : A 23 THR OG1 : rot 110:sc= 1.48 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.176 K(o=-0.18,f=-2) USER MOD Single : A 31 SER OG : rot 180:sc= -0.167 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.0147 (180deg=-0.672) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.415 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.926 -0.840 -1.211 1.00 1.00 N ATOM 16 CA PHE A 2 5.300 -1.372 -1.184 1.00 1.00 C ATOM 17 C PHE A 2 6.191 -0.522 -0.266 1.00 1.00 C ATOM 18 O PHE A 2 5.824 0.555 0.130 1.00 1.00 O ATOM 19 CB PHE A 2 5.773 -1.326 -2.606 1.00 1.00 C ATOM 20 CG PHE A 2 5.622 -2.671 -3.334 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.370 -3.216 -3.559 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.740 -3.350 -3.783 1.00 1.00 C ATOM 23 CE1 PHE A 2 4.238 -4.419 -4.221 1.00 1.00 C ATOM 24 CE2 PHE A 2 6.608 -4.553 -4.446 1.00 1.00 C ATOM 25 CZ PHE A 2 5.357 -5.088 -4.664 1.00 1.00 C ATOM 0 HA PHE A 2 5.340 -2.387 -0.788 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.212 -0.563 -3.145 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.820 -1.025 -2.625 1.00 1.00 H new ATOM 0 HD1 PHE A 2 3.489 -2.695 -3.214 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.723 -2.936 -3.614 1.00 1.00 H new ATOM 0 HE1 PHE A 2 3.257 -4.836 -4.392 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.486 -5.076 -4.794 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.254 -6.030 -5.181 1.00 1.00 H new ATOM 35 N THR A 3 7.347 -1.062 0.021 1.00 1.00 N ATOM 36 CA THR A 3 8.339 -0.357 0.894 1.00 1.00 C ATOM 37 C THR A 3 9.707 -0.481 0.225 1.00 1.00 C ATOM 38 O THR A 3 9.837 -1.106 -0.803 1.00 1.00 O ATOM 39 CB THR A 3 8.412 -0.999 2.310 1.00 1.00 C ATOM 40 OG1 THR A 3 9.054 -2.255 2.137 1.00 1.00 O ATOM 41 CG2 THR A 3 6.999 -1.328 2.852 1.00 1.00 C ATOM 0 H THR A 3 7.652 -1.975 -0.317 1.00 1.00 H new ATOM 0 HA THR A 3 8.037 0.683 1.014 1.00 1.00 H new ATOM 0 HB THR A 3 8.919 -0.316 2.991 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.536 -2.804 1.511 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.084 -1.775 3.842 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.412 -0.412 2.917 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.505 -2.029 2.179 1.00 1.00 H new ATOM 49 N ASN A 4 10.684 0.114 0.846 1.00 1.00 N ATOM 50 CA ASN A 4 12.071 0.068 0.297 1.00 1.00 C ATOM 51 C ASN A 4 13.047 -0.408 1.373 1.00 1.00 C ATOM 52 O ASN A 4 14.215 -0.066 1.343 1.00 1.00 O ATOM 53 CB ASN A 4 12.405 1.476 -0.170 1.00 1.00 C ATOM 54 CG ASN A 4 13.703 1.486 -0.990 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.806 0.860 -2.027 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.719 2.184 -0.559 1.00 1.00 N ATOM 0 H ASN A 4 10.583 0.635 1.717 1.00 1.00 H new ATOM 0 HA ASN A 4 12.148 -0.633 -0.534 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.586 1.868 -0.773 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.509 2.135 0.692 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.589 2.201 -1.091 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.643 2.713 0.310 1.00 1.00 H new ATOM 63 N VAL A 5 12.548 -1.194 2.292 1.00 1.00 N ATOM 64 CA VAL A 5 13.410 -1.715 3.374 1.00 1.00 C ATOM 65 C VAL A 5 13.387 -3.233 3.356 1.00 1.00 C ATOM 66 O VAL A 5 12.392 -3.834 2.999 1.00 1.00 O ATOM 67 CB VAL A 5 12.888 -1.202 4.704 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.112 0.314 4.813 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.388 -1.519 4.903 1.00 1.00 C ATOM 0 H VAL A 5 11.574 -1.494 2.333 1.00 1.00 H new ATOM 0 HA VAL A 5 14.436 -1.378 3.230 1.00 1.00 H new ATOM 0 HB VAL A 5 13.445 -1.716 5.488 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.733 0.670 5.771 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.178 0.530 4.741 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.584 0.819 4.004 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.059 -1.133 5.868 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.808 -1.050 4.108 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.237 -2.598 4.874 1.00 1.00 H new ATOM 79 N SER A 6 14.496 -3.794 3.753 1.00 1.00 N ATOM 80 CA SER A 6 14.610 -5.278 3.782 1.00 1.00 C ATOM 81 C SER A 6 13.749 -5.846 4.914 1.00 1.00 C ATOM 82 O SER A 6 13.535 -5.176 5.907 1.00 1.00 O ATOM 83 CB SER A 6 16.084 -5.656 3.990 1.00 1.00 C ATOM 84 OG SER A 6 16.097 -7.076 3.919 1.00 1.00 O ATOM 0 H SER A 6 15.328 -3.288 4.058 1.00 1.00 H new ATOM 0 HA SER A 6 14.256 -5.697 2.840 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.720 -5.214 3.223 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.453 -5.303 4.953 1.00 1.00 H new ATOM 0 HG SER A 6 15.396 -7.379 3.304 1.00 1.00 H new ATOM 90 N CYS A 7 13.284 -7.059 4.732 1.00 1.00 N ATOM 91 CA CYS A 7 12.440 -7.696 5.791 1.00 1.00 C ATOM 92 C CYS A 7 12.990 -9.046 6.216 1.00 1.00 C ATOM 93 O CYS A 7 13.723 -9.691 5.491 1.00 1.00 O ATOM 94 CB CYS A 7 11.008 -7.897 5.280 1.00 1.00 C ATOM 95 SG CYS A 7 10.740 -8.764 3.718 1.00 1.00 S ATOM 0 H CYS A 7 13.451 -7.631 3.904 1.00 1.00 H new ATOM 0 HA CYS A 7 12.448 -7.025 6.650 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.457 -8.435 6.052 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.551 -6.912 5.190 1.00 1.00 H new ATOM 100 N SER A 8 12.593 -9.411 7.406 1.00 1.00 N ATOM 101 CA SER A 8 13.012 -10.705 8.012 1.00 1.00 C ATOM 102 C SER A 8 11.720 -11.447 8.396 1.00 1.00 C ATOM 103 O SER A 8 11.695 -12.161 9.379 1.00 1.00 O ATOM 104 CB SER A 8 13.892 -10.390 9.242 1.00 1.00 C ATOM 105 OG SER A 8 14.343 -11.657 9.694 1.00 1.00 O ATOM 0 H SER A 8 11.980 -8.850 7.997 1.00 1.00 H new ATOM 0 HA SER A 8 13.596 -11.330 7.336 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.728 -9.743 8.976 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.323 -9.873 10.015 1.00 1.00 H new ATOM 0 HG SER A 8 13.573 -12.246 9.837 1.00 1.00 H new ATOM 111 N ALA A 9 10.707 -11.226 7.577 1.00 1.00 N ATOM 112 CA ALA A 9 9.322 -11.814 7.695 1.00 1.00 C ATOM 113 C ALA A 9 8.269 -10.699 7.747 1.00 1.00 C ATOM 114 O ALA A 9 8.592 -9.528 7.801 1.00 1.00 O ATOM 115 CB ALA A 9 9.126 -12.669 8.983 1.00 1.00 C ATOM 0 H ALA A 9 10.798 -10.611 6.768 1.00 1.00 H new ATOM 0 HA ALA A 9 9.204 -12.450 6.818 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.110 -13.063 9.007 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.836 -13.496 8.982 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.295 -12.047 9.862 1.00 1.00 H new ATOM 121 N SER A 10 7.029 -11.115 7.727 1.00 1.00 N ATOM 122 CA SER A 10 5.881 -10.157 7.771 1.00 1.00 C ATOM 123 C SER A 10 5.776 -9.498 9.151 1.00 1.00 C ATOM 124 O SER A 10 5.359 -8.365 9.263 1.00 1.00 O ATOM 125 CB SER A 10 4.585 -10.917 7.466 1.00 1.00 C ATOM 126 OG SER A 10 4.783 -11.424 6.152 1.00 1.00 O ATOM 0 H SER A 10 6.758 -12.097 7.681 1.00 1.00 H new ATOM 0 HA SER A 10 6.043 -9.376 7.028 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.416 -11.721 8.182 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.717 -10.260 7.513 1.00 1.00 H new ATOM 0 HG SER A 10 3.992 -11.932 5.875 1.00 1.00 H new ATOM 132 N SER A 11 6.151 -10.228 10.170 1.00 1.00 N ATOM 133 CA SER A 11 6.101 -9.712 11.552 1.00 1.00 C ATOM 134 C SER A 11 6.781 -8.351 11.710 1.00 1.00 C ATOM 135 O SER A 11 6.153 -7.389 12.110 1.00 1.00 O ATOM 136 CB SER A 11 6.738 -10.806 12.408 1.00 1.00 C ATOM 137 OG SER A 11 8.035 -11.021 11.866 1.00 1.00 O ATOM 0 H SER A 11 6.497 -11.184 10.089 1.00 1.00 H new ATOM 0 HA SER A 11 5.076 -9.511 11.864 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.797 -10.500 13.452 1.00 1.00 H new ATOM 0 HB3 SER A 11 6.146 -11.720 12.377 1.00 1.00 H new ATOM 0 HG SER A 11 8.494 -11.717 12.381 1.00 1.00 H new ATOM 143 N GLN A 12 8.045 -8.324 11.386 1.00 1.00 N ATOM 144 CA GLN A 12 8.853 -7.075 11.478 1.00 1.00 C ATOM 145 C GLN A 12 8.458 -6.049 10.397 1.00 1.00 C ATOM 146 O GLN A 12 9.018 -4.972 10.344 1.00 1.00 O ATOM 147 CB GLN A 12 10.320 -7.507 11.360 1.00 1.00 C ATOM 148 CG GLN A 12 10.537 -8.199 10.008 1.00 1.00 C ATOM 149 CD GLN A 12 10.858 -7.155 8.932 1.00 1.00 C ATOM 150 OE1 GLN A 12 11.889 -6.515 8.960 1.00 1.00 O ATOM 151 NE2 GLN A 12 10.000 -6.948 7.970 1.00 1.00 N ATOM 0 H GLN A 12 8.564 -9.137 11.053 1.00 1.00 H new ATOM 0 HA GLN A 12 8.675 -6.563 12.424 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.975 -6.640 11.447 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.578 -8.184 12.174 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.353 -8.918 10.084 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.644 -8.759 9.729 1.00 1.00 H new ATOM 0 HE21 GLN A 12 9.131 -7.481 7.938 1.00 1.00 H new ATOM 0 HE22 GLN A 12 10.199 -6.253 7.250 1.00 1.00 H new ATOM 160 N CYS A 13 7.507 -6.416 9.572 1.00 1.00 N ATOM 161 CA CYS A 13 7.019 -5.521 8.473 1.00 1.00 C ATOM 162 C CYS A 13 5.802 -4.763 8.955 1.00 1.00 C ATOM 163 O CYS A 13 5.609 -3.630 8.583 1.00 1.00 O ATOM 164 CB CYS A 13 6.641 -6.361 7.277 1.00 1.00 C ATOM 165 SG CYS A 13 6.013 -5.544 5.793 1.00 1.00 S ATOM 0 H CYS A 13 7.037 -7.320 9.615 1.00 1.00 H new ATOM 0 HA CYS A 13 7.804 -4.819 8.194 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.521 -6.936 6.988 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.886 -7.076 7.603 1.00 1.00 H new ATOM 170 N TRP A 14 5.005 -5.401 9.762 1.00 1.00 N ATOM 171 CA TRP A 14 3.788 -4.742 10.293 1.00 1.00 C ATOM 172 C TRP A 14 4.081 -3.324 10.860 1.00 1.00 C ATOM 173 O TRP A 14 3.391 -2.392 10.488 1.00 1.00 O ATOM 174 CB TRP A 14 3.199 -5.657 11.368 1.00 1.00 C ATOM 175 CG TRP A 14 2.922 -7.067 10.833 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.654 -7.372 9.537 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.889 -8.196 11.568 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.476 -8.677 9.563 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.596 -9.273 10.738 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.092 -8.409 12.933 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.504 -10.560 11.264 1.00 1.00 C ATOM 182 CZ3 TRP A 14 3.001 -9.694 13.460 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.707 -10.770 12.626 1.00 1.00 C ATOM 0 H TRP A 14 5.148 -6.360 10.078 1.00 1.00 H new ATOM 0 HA TRP A 14 3.075 -4.592 9.483 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.888 -5.718 12.210 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.273 -5.224 11.745 1.00 1.00 H new ATOM 0 HD1 TRP A 14 2.600 -6.705 8.689 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.256 -9.203 8.717 1.00 1.00 H new ATOM 0 HE3 TRP A 14 3.320 -7.575 13.581 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.276 -11.394 10.617 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.158 -9.857 14.516 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.636 -11.767 13.035 1.00 1.00 H new ATOM 194 N PRO A 15 5.067 -3.171 11.724 1.00 1.00 N ATOM 195 CA PRO A 15 5.526 -1.831 12.196 1.00 1.00 C ATOM 196 C PRO A 15 6.027 -0.942 11.045 1.00 1.00 C ATOM 197 O PRO A 15 5.831 0.252 11.077 1.00 1.00 O ATOM 198 CB PRO A 15 6.611 -2.145 13.232 1.00 1.00 C ATOM 199 CG PRO A 15 7.166 -3.493 12.732 1.00 1.00 C ATOM 200 CD PRO A 15 5.886 -4.247 12.355 1.00 1.00 C ATOM 0 HA PRO A 15 4.715 -1.246 12.630 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.381 -1.374 13.260 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.201 -2.223 14.239 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.832 -3.368 11.878 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.732 -4.012 13.505 1.00 1.00 H new ATOM 0 HD2 PRO A 15 6.084 -5.067 11.665 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.393 -4.676 13.227 1.00 1.00 H new ATOM 208 N VAL A 16 6.660 -1.545 10.063 1.00 1.00 N ATOM 209 CA VAL A 16 7.174 -0.733 8.907 1.00 1.00 C ATOM 210 C VAL A 16 5.933 -0.129 8.236 1.00 1.00 C ATOM 211 O VAL A 16 5.814 1.066 8.133 1.00 1.00 O ATOM 212 CB VAL A 16 7.956 -1.667 7.941 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.378 -0.897 6.679 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.224 -2.179 8.651 1.00 1.00 C ATOM 0 H VAL A 16 6.841 -2.547 10.010 1.00 1.00 H new ATOM 0 HA VAL A 16 7.859 0.058 9.213 1.00 1.00 H new ATOM 0 HB VAL A 16 7.312 -2.500 7.658 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.925 -1.564 6.012 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.491 -0.520 6.169 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.018 -0.060 6.960 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.778 -2.835 7.979 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.851 -1.333 8.930 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.941 -2.732 9.547 1.00 1.00 H new ATOM 224 N CYS A 17 5.062 -1.000 7.804 1.00 1.00 N ATOM 225 CA CYS A 17 3.770 -0.630 7.133 1.00 1.00 C ATOM 226 C CYS A 17 3.101 0.459 7.952 1.00 1.00 C ATOM 227 O CYS A 17 2.634 1.450 7.432 1.00 1.00 O ATOM 228 CB CYS A 17 2.911 -1.896 7.079 1.00 1.00 C ATOM 229 SG CYS A 17 1.255 -1.931 6.348 1.00 1.00 S ATOM 0 H CYS A 17 5.198 -2.007 7.892 1.00 1.00 H new ATOM 0 HA CYS A 17 3.921 -0.252 6.122 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.499 -2.647 6.551 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.803 -2.241 8.107 1.00 1.00 H new ATOM 234 N LYS A 18 3.080 0.221 9.236 1.00 1.00 N ATOM 235 CA LYS A 18 2.474 1.179 10.193 1.00 1.00 C ATOM 236 C LYS A 18 3.146 2.550 10.138 1.00 1.00 C ATOM 237 O LYS A 18 2.485 3.567 10.188 1.00 1.00 O ATOM 238 CB LYS A 18 2.588 0.554 11.584 1.00 1.00 C ATOM 239 CG LYS A 18 1.837 1.376 12.631 1.00 1.00 C ATOM 240 CD LYS A 18 0.331 1.314 12.310 1.00 1.00 C ATOM 241 CE LYS A 18 -0.425 2.146 13.309 1.00 1.00 C ATOM 242 NZ LYS A 18 -0.292 1.584 14.684 1.00 1.00 N ATOM 0 H LYS A 18 3.468 -0.618 9.667 1.00 1.00 H new ATOM 0 HA LYS A 18 1.430 1.357 9.935 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.190 -0.460 11.562 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.638 0.478 11.865 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.028 0.984 13.630 1.00 1.00 H new ATOM 0 HG3 LYS A 18 2.184 2.409 12.623 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.147 1.681 11.300 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.017 0.282 12.342 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.050 3.169 13.293 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.478 2.188 13.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.021 1.997 15.300 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -0.412 0.551 14.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 0.650 1.811 15.062 1.00 1.00 H new ATOM 256 N LYS A 19 4.446 2.541 10.039 1.00 1.00 N ATOM 257 CA LYS A 19 5.203 3.826 9.978 1.00 1.00 C ATOM 258 C LYS A 19 4.951 4.541 8.635 1.00 1.00 C ATOM 259 O LYS A 19 4.736 5.737 8.596 1.00 1.00 O ATOM 260 CB LYS A 19 6.701 3.501 10.152 1.00 1.00 C ATOM 261 CG LYS A 19 7.539 4.803 10.194 1.00 1.00 C ATOM 262 CD LYS A 19 9.054 4.481 10.309 1.00 1.00 C ATOM 263 CE LYS A 19 9.383 3.737 11.623 1.00 1.00 C ATOM 264 NZ LYS A 19 8.980 4.553 12.804 1.00 1.00 N ATOM 0 H LYS A 19 5.019 1.698 9.998 1.00 1.00 H new ATOM 0 HA LYS A 19 4.871 4.497 10.770 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.852 2.935 11.071 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.040 2.870 9.330 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.355 5.389 9.293 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.227 5.414 11.041 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.362 3.872 9.459 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.627 5.407 10.262 1.00 1.00 H new ATOM 0 HE2 LYS A 19 8.865 2.778 11.643 1.00 1.00 H new ATOM 0 HE3 LYS A 19 10.451 3.524 11.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.400 4.149 13.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.315 5.530 12.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.944 4.550 12.891 1.00 1.00 H new ATOM 278 N LEU A 20 4.986 3.772 7.579 1.00 1.00 N ATOM 279 CA LEU A 20 4.780 4.263 6.203 1.00 1.00 C ATOM 280 C LEU A 20 3.378 4.709 5.778 1.00 1.00 C ATOM 281 O LEU A 20 3.205 5.822 5.320 1.00 1.00 O ATOM 282 CB LEU A 20 5.268 3.145 5.293 1.00 1.00 C ATOM 283 CG LEU A 20 6.758 2.788 5.532 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.105 1.604 4.617 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.679 3.979 5.197 1.00 1.00 C ATOM 0 H LEU A 20 5.160 2.768 7.630 1.00 1.00 H new ATOM 0 HA LEU A 20 5.330 5.201 6.134 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.656 2.258 5.453 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.132 3.443 4.253 1.00 1.00 H new ATOM 0 HG LEU A 20 6.908 2.537 6.582 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.149 1.327 4.761 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.467 0.755 4.863 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.945 1.889 3.577 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.717 3.698 5.375 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.552 4.254 4.150 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.420 4.828 5.829 1.00 1.00 H new ATOM 297 N PHE A 21 2.418 3.838 5.939 1.00 1.00 N ATOM 298 CA PHE A 21 1.025 4.106 5.568 1.00 1.00 C ATOM 299 C PHE A 21 0.156 4.435 6.779 1.00 1.00 C ATOM 300 O PHE A 21 -0.635 5.350 6.741 1.00 1.00 O ATOM 301 CB PHE A 21 0.615 2.843 4.842 1.00 1.00 C ATOM 302 CG PHE A 21 1.614 2.583 3.689 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.419 3.173 2.456 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.726 1.788 3.884 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.327 2.970 1.438 1.00 1.00 C ATOM 306 CE2 PHE A 21 3.633 1.583 2.870 1.00 1.00 C ATOM 307 CZ PHE A 21 3.431 2.178 1.647 1.00 1.00 C ATOM 0 H PHE A 21 2.566 2.909 6.334 1.00 1.00 H new ATOM 0 HA PHE A 21 0.904 4.991 4.943 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.606 1.998 5.531 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.397 2.945 4.449 1.00 1.00 H new ATOM 0 HD1 PHE A 21 0.553 3.796 2.288 1.00 1.00 H new ATOM 0 HD2 PHE A 21 2.886 1.321 4.845 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.171 3.434 0.475 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.499 0.958 3.034 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.141 2.023 0.849 1.00 1.00 H new ATOM 317 N GLY A 22 0.353 3.662 7.812 1.00 1.00 N ATOM 318 CA GLY A 22 -0.404 3.839 9.082 1.00 1.00 C ATOM 319 C GLY A 22 -1.190 2.558 9.346 1.00 1.00 C ATOM 320 O GLY A 22 -2.150 2.568 10.093 1.00 1.00 O ATOM 0 H GLY A 22 1.025 2.895 7.827 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.278 4.044 9.907 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.079 4.692 9.007 1.00 1.00 H new ATOM 324 N THR A 23 -0.753 1.490 8.720 1.00 1.00 N ATOM 325 CA THR A 23 -1.405 0.170 8.872 1.00 1.00 C ATOM 326 C THR A 23 -0.442 -0.831 9.503 1.00 1.00 C ATOM 327 O THR A 23 0.717 -0.844 9.175 1.00 1.00 O ATOM 328 CB THR A 23 -1.825 -0.261 7.484 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.830 0.195 6.582 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.145 0.372 7.036 1.00 1.00 C ATOM 0 H THR A 23 0.053 1.490 8.094 1.00 1.00 H new ATOM 0 HA THR A 23 -2.270 0.224 9.533 1.00 1.00 H new ATOM 0 HB THR A 23 -1.949 -1.344 7.496 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.327 -0.571 6.235 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.393 0.025 6.033 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.939 0.085 7.726 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.044 1.457 7.029 1.00 1.00 H new ATOM 338 N TYR A 24 -0.953 -1.660 10.379 1.00 1.00 N ATOM 339 CA TYR A 24 -0.080 -2.681 11.047 1.00 1.00 C ATOM 340 C TYR A 24 -0.394 -4.037 10.385 1.00 1.00 C ATOM 341 O TYR A 24 -0.251 -5.093 10.970 1.00 1.00 O ATOM 342 CB TYR A 24 -0.427 -2.666 12.564 1.00 1.00 C ATOM 343 CG TYR A 24 0.836 -2.928 13.391 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.318 -4.201 13.616 1.00 1.00 C ATOM 345 CD2 TYR A 24 1.530 -1.858 13.914 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.473 -4.391 14.347 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.682 -2.044 14.642 1.00 1.00 C ATOM 348 CZ TYR A 24 3.164 -3.312 14.863 1.00 1.00 C ATOM 349 OH TYR A 24 4.320 -3.511 15.590 1.00 1.00 O ATOM 0 H TYR A 24 -1.933 -1.676 10.661 1.00 1.00 H new ATOM 0 HA TYR A 24 0.986 -2.481 10.941 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.858 -1.703 12.838 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.178 -3.425 12.781 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.788 -5.054 13.218 1.00 1.00 H new ATOM 0 HD2 TYR A 24 1.163 -0.856 13.749 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.840 -5.392 14.517 1.00 1.00 H new ATOM 0 HE2 TYR A 24 3.210 -1.191 15.041 1.00 1.00 H new ATOM 0 HH TYR A 24 4.679 -2.645 15.877 1.00 1.00 H new ATOM 359 N ARG A 25 -0.817 -3.923 9.150 1.00 1.00 N ATOM 360 CA ARG A 25 -1.189 -5.044 8.277 1.00 1.00 C ATOM 361 C ARG A 25 -0.307 -5.004 7.014 1.00 1.00 C ATOM 362 O ARG A 25 -0.677 -4.408 6.020 1.00 1.00 O ATOM 363 CB ARG A 25 -2.652 -4.837 7.985 1.00 1.00 C ATOM 364 CG ARG A 25 -3.510 -5.247 9.199 1.00 1.00 C ATOM 365 CD ARG A 25 -4.992 -5.007 8.875 1.00 1.00 C ATOM 366 NE ARG A 25 -5.793 -5.387 10.076 1.00 1.00 N ATOM 367 CZ ARG A 25 -6.526 -4.492 10.682 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.946 -3.645 11.485 1.00 1.00 N ATOM 369 NH2 ARG A 25 -7.812 -4.479 10.467 1.00 1.00 N ATOM 0 H ARG A 25 -0.921 -3.017 8.694 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.034 -6.027 8.722 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.835 -3.791 7.740 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.941 -5.424 7.113 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.343 -6.297 9.439 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.219 -4.669 10.077 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.162 -3.961 8.619 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.294 -5.600 8.012 1.00 1.00 H new ATOM 0 HE ARG A 25 -5.768 -6.346 10.423 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -4.937 -3.689 11.631 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.501 -2.938 11.968 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -8.230 -5.161 9.834 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -8.400 -3.787 10.932 1.00 1.00 H new ATOM 383 N GLY A 26 0.833 -5.623 7.095 1.00 1.00 N ATOM 384 CA GLY A 26 1.778 -5.667 5.951 1.00 1.00 C ATOM 385 C GLY A 26 2.407 -7.059 5.882 1.00 1.00 C ATOM 386 O GLY A 26 2.193 -7.895 6.740 1.00 1.00 O ATOM 0 H GLY A 26 1.157 -6.113 7.929 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.255 -5.443 5.021 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.552 -4.909 6.072 1.00 1.00 H new ATOM 390 N LYS A 27 3.165 -7.267 4.844 1.00 1.00 N ATOM 391 CA LYS A 27 3.854 -8.590 4.661 1.00 1.00 C ATOM 392 C LYS A 27 5.257 -8.453 4.061 1.00 1.00 C ATOM 393 O LYS A 27 5.632 -7.404 3.582 1.00 1.00 O ATOM 394 CB LYS A 27 2.999 -9.500 3.756 1.00 1.00 C ATOM 395 CG LYS A 27 2.835 -8.902 2.351 1.00 1.00 C ATOM 396 CD LYS A 27 1.915 -9.786 1.490 1.00 1.00 C ATOM 397 CE LYS A 27 2.441 -11.234 1.383 1.00 1.00 C ATOM 398 NZ LYS A 27 1.619 -11.999 0.403 1.00 1.00 N ATOM 0 H LYS A 27 3.342 -6.582 4.109 1.00 1.00 H new ATOM 0 HA LYS A 27 3.966 -9.029 5.652 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.465 -10.483 3.682 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.018 -9.645 4.208 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.419 -7.897 2.424 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.810 -8.809 1.873 1.00 1.00 H new ATOM 0 HD2 LYS A 27 0.914 -9.795 1.920 1.00 1.00 H new ATOM 0 HD3 LYS A 27 1.829 -9.356 0.492 1.00 1.00 H new ATOM 0 HE2 LYS A 27 3.485 -11.229 1.070 1.00 1.00 H new ATOM 0 HE3 LYS A 27 2.403 -11.717 2.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 1.683 -13.015 0.614 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.627 -11.694 0.469 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 1.972 -11.822 -0.559 1.00 1.00 H new ATOM 412 N CYS A 28 5.993 -9.535 4.112 1.00 1.00 N ATOM 413 CA CYS A 28 7.384 -9.574 3.570 1.00 1.00 C ATOM 414 C CYS A 28 7.467 -10.397 2.276 1.00 1.00 C ATOM 415 O CYS A 28 7.183 -11.580 2.272 1.00 1.00 O ATOM 416 CB CYS A 28 8.261 -10.172 4.648 1.00 1.00 C ATOM 417 SG CYS A 28 9.990 -10.552 4.272 1.00 1.00 S ATOM 0 H CYS A 28 5.678 -10.416 4.518 1.00 1.00 H new ATOM 0 HA CYS A 28 7.715 -8.568 3.311 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.253 -9.486 5.495 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.787 -11.095 4.981 1.00 1.00 H new ATOM 422 N MET A 29 7.857 -9.725 1.219 1.00 1.00 N ATOM 423 CA MET A 29 7.994 -10.374 -0.115 1.00 1.00 C ATOM 424 C MET A 29 9.299 -9.887 -0.730 1.00 1.00 C ATOM 425 O MET A 29 9.642 -8.731 -0.581 1.00 1.00 O ATOM 426 CB MET A 29 6.817 -9.972 -1.020 1.00 1.00 C ATOM 427 CG MET A 29 5.520 -10.558 -0.453 1.00 1.00 C ATOM 428 SD MET A 29 3.989 -10.278 -1.381 1.00 1.00 S ATOM 429 CE MET A 29 4.068 -11.731 -2.459 1.00 1.00 C ATOM 0 H MET A 29 8.090 -8.732 1.230 1.00 1.00 H new ATOM 0 HA MET A 29 7.994 -11.459 -0.012 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.743 -8.886 -1.080 1.00 1.00 H new ATOM 0 HB3 MET A 29 6.982 -10.337 -2.034 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.656 -11.634 -0.349 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.382 -10.156 0.551 1.00 1.00 H new ATOM 0 HE1 MET A 29 3.200 -11.743 -3.118 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.978 -11.691 -3.058 1.00 1.00 H new ATOM 0 HE3 MET A 29 4.074 -12.635 -1.851 1.00 1.00 H new ATOM 439 N ASN A 30 9.967 -10.783 -1.411 1.00 1.00 N ATOM 440 CA ASN A 30 11.280 -10.475 -2.076 1.00 1.00 C ATOM 441 C ASN A 30 12.134 -9.695 -1.061 1.00 1.00 C ATOM 442 O ASN A 30 12.612 -8.606 -1.318 1.00 1.00 O ATOM 443 CB ASN A 30 11.012 -9.626 -3.347 1.00 1.00 C ATOM 444 CG ASN A 30 10.092 -10.394 -4.308 1.00 1.00 C ATOM 445 OD1 ASN A 30 8.951 -10.681 -4.003 1.00 1.00 O ATOM 446 ND2 ASN A 30 10.550 -10.746 -5.478 1.00 1.00 N ATOM 0 H ASN A 30 9.651 -11.744 -1.540 1.00 1.00 H new ATOM 0 HA ASN A 30 11.804 -11.382 -2.378 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.552 -8.677 -3.070 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.954 -9.391 -3.842 1.00 1.00 H new ATOM 0 HD21 ASN A 30 9.952 -11.257 -6.127 1.00 1.00 H new ATOM 0 HD22 ASN A 30 11.506 -10.510 -5.744 1.00 1.00 H new ATOM 453 N SER A 31 12.274 -10.341 0.067 1.00 1.00 N ATOM 454 CA SER A 31 13.043 -9.828 1.248 1.00 1.00 C ATOM 455 C SER A 31 12.885 -8.308 1.461 1.00 1.00 C ATOM 456 O SER A 31 13.794 -7.643 1.916 1.00 1.00 O ATOM 457 CB SER A 31 14.538 -10.197 1.048 1.00 1.00 C ATOM 458 OG SER A 31 14.945 -9.508 -0.119 1.00 1.00 O ATOM 0 H SER A 31 11.861 -11.260 0.227 1.00 1.00 H new ATOM 0 HA SER A 31 12.642 -10.296 2.147 1.00 1.00 H new ATOM 0 HB2 SER A 31 15.135 -9.897 1.909 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.664 -11.273 0.932 1.00 1.00 H new ATOM 0 HG SER A 31 15.889 -9.700 -0.300 1.00 1.00 H new ATOM 464 N LYS A 32 11.711 -7.826 1.125 1.00 1.00 N ATOM 465 CA LYS A 32 11.367 -6.372 1.262 1.00 1.00 C ATOM 466 C LYS A 32 10.001 -6.292 1.939 1.00 1.00 C ATOM 467 O LYS A 32 9.158 -7.126 1.669 1.00 1.00 O ATOM 468 CB LYS A 32 11.294 -5.706 -0.127 1.00 1.00 C ATOM 469 CG LYS A 32 12.700 -5.395 -0.701 1.00 1.00 C ATOM 470 CD LYS A 32 13.354 -4.271 0.125 1.00 1.00 C ATOM 471 CE LYS A 32 14.659 -3.797 -0.512 1.00 1.00 C ATOM 472 NZ LYS A 32 15.246 -2.702 0.304 1.00 1.00 N ATOM 0 H LYS A 32 10.954 -8.398 0.750 1.00 1.00 H new ATOM 0 HA LYS A 32 12.127 -5.855 1.847 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.759 -6.361 -0.815 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.720 -4.782 -0.056 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.322 -6.290 -0.674 1.00 1.00 H new ATOM 0 HG3 LYS A 32 12.620 -5.094 -1.746 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.664 -3.432 0.211 1.00 1.00 H new ATOM 0 HD3 LYS A 32 13.550 -4.627 1.136 1.00 1.00 H new ATOM 0 HE2 LYS A 32 15.362 -4.627 -0.584 1.00 1.00 H new ATOM 0 HE3 LYS A 32 14.473 -3.447 -1.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 16.276 -2.677 0.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.835 -1.793 0.012 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 15.039 -2.869 1.309 1.00 1.00 H new ATOM 486 N CYS A 33 9.795 -5.311 2.786 1.00 1.00 N ATOM 487 CA CYS A 33 8.455 -5.238 3.446 1.00 1.00 C ATOM 488 C CYS A 33 7.377 -4.792 2.447 1.00 1.00 C ATOM 489 O CYS A 33 7.674 -4.295 1.377 1.00 1.00 O ATOM 490 CB CYS A 33 8.556 -4.264 4.638 1.00 1.00 C ATOM 491 SG CYS A 33 7.047 -3.827 5.539 1.00 1.00 S ATOM 0 H CYS A 33 10.466 -4.586 3.041 1.00 1.00 H new ATOM 0 HA CYS A 33 8.162 -6.224 3.806 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.256 -4.692 5.355 1.00 1.00 H new ATOM 0 HB3 CYS A 33 9.001 -3.339 4.271 1.00 1.00 H new ATOM 496 N ARG A 34 6.147 -5.002 2.825 1.00 1.00 N ATOM 497 CA ARG A 34 4.997 -4.622 1.977 1.00 1.00 C ATOM 498 C ARG A 34 3.880 -4.179 2.921 1.00 1.00 C ATOM 499 O ARG A 34 3.810 -4.607 4.056 1.00 1.00 O ATOM 500 CB ARG A 34 4.581 -5.838 1.172 1.00 1.00 C ATOM 501 CG ARG A 34 3.652 -5.421 0.048 1.00 1.00 C ATOM 502 CD ARG A 34 3.246 -6.640 -0.789 1.00 1.00 C ATOM 503 NE ARG A 34 4.487 -7.358 -1.220 1.00 1.00 N ATOM 504 CZ ARG A 34 4.824 -7.444 -2.479 1.00 1.00 C ATOM 505 NH1 ARG A 34 3.924 -7.748 -3.373 1.00 1.00 N ATOM 506 NH2 ARG A 34 6.068 -7.218 -2.799 1.00 1.00 N ATOM 0 H ARG A 34 5.891 -5.434 3.713 1.00 1.00 H new ATOM 0 HA ARG A 34 5.236 -3.815 1.284 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.462 -6.332 0.763 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.082 -6.560 1.819 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.764 -4.943 0.460 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.145 -4.684 -0.586 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.608 -7.304 -0.206 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.669 -6.326 -1.659 1.00 1.00 H new ATOM 0 HE ARG A 34 5.083 -7.790 -0.514 1.00 1.00 H new ATOM 0 HH11 ARG A 34 2.959 -7.918 -3.088 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.185 -7.816 -4.357 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.746 -6.982 -2.075 1.00 1.00 H new ATOM 0 HH22 ARG A 34 6.363 -7.277 -3.774 1.00 1.00 H new ATOM 520 N CYS A 35 3.045 -3.327 2.398 1.00 1.00 N ATOM 521 CA CYS A 35 1.888 -2.787 3.175 1.00 1.00 C ATOM 522 C CYS A 35 0.656 -2.955 2.283 1.00 1.00 C ATOM 523 O CYS A 35 0.786 -3.312 1.128 1.00 1.00 O ATOM 524 CB CYS A 35 2.146 -1.297 3.502 1.00 1.00 C ATOM 525 SG CYS A 35 1.195 -0.572 4.855 1.00 1.00 S ATOM 0 H CYS A 35 3.115 -2.973 1.444 1.00 1.00 H new ATOM 0 HA CYS A 35 1.744 -3.309 4.121 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.205 -1.180 3.733 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.950 -0.715 2.602 1.00 1.00 H new ATOM 530 N TYR A 36 -0.497 -2.700 2.826 1.00 1.00 N ATOM 531 CA TYR A 36 -1.741 -2.839 2.025 1.00 1.00 C ATOM 532 C TYR A 36 -2.425 -1.474 1.861 1.00 1.00 C ATOM 533 O TYR A 36 -2.535 -1.000 0.749 1.00 1.00 O ATOM 534 CB TYR A 36 -2.659 -3.827 2.752 1.00 1.00 C ATOM 535 CG TYR A 36 -1.956 -5.166 3.080 1.00 1.00 C ATOM 536 CD1 TYR A 36 -1.043 -5.765 2.230 1.00 1.00 C ATOM 537 CD2 TYR A 36 -2.254 -5.790 4.275 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.449 -6.961 2.574 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.662 -6.983 4.618 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.755 -7.576 3.772 1.00 1.00 C ATOM 541 OH TYR A 36 -0.165 -8.771 4.127 1.00 1.00 O ATOM 0 H TYR A 36 -0.633 -2.401 3.792 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.512 -3.211 1.026 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -3.015 -3.373 3.676 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.536 -4.023 2.135 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.794 -5.293 1.291 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -2.963 -5.334 4.951 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.261 -7.420 1.902 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -1.911 -7.456 5.556 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.500 -9.054 5.004 1.00 1.00 H new