USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=15 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 4 ASN :FLIP amide:sc= 1.09 F(o=-0.84,f=0.48) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -112:sc= -0.606 (180deg=-1.49!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 144:sc= 1.27 (180deg=-0.636!) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= -0.65 USER MOD Single : A 3 THR OG1 : rot -50:sc= 0.518 USER MOD Single : A 6 SER OG : rot 34:sc= 0.503 USER MOD Single : A 8 SER OG : rot -44:sc= 0.714 USER MOD Single : A 10 SER OG : rot 180:sc= 0.41 USER MOD Single : A 11 SER OG : rot 180:sc= -0.17 USER MOD Single : A 12 GLN :FLIP amide:sc= -2.42! C(o=-3.7!,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 0.513 (180deg=0.301) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc=-0.00544 (180deg=-0.192) USER MOD Single : A 23 THR OG1 : rot 115:sc= 1.07 USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00345 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.5) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.888 -1.137 -1.286 1.00 1.00 N ATOM 16 CA PHE A 2 5.234 -1.720 -1.178 1.00 1.00 C ATOM 17 C PHE A 2 6.215 -0.704 -0.592 1.00 1.00 C ATOM 18 O PHE A 2 5.927 0.464 -0.483 1.00 1.00 O ATOM 19 CB PHE A 2 5.610 -2.132 -2.566 1.00 1.00 C ATOM 20 CG PHE A 2 5.578 -3.657 -2.639 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.537 -4.403 -1.978 1.00 1.00 C ATOM 22 CD2 PHE A 2 4.592 -4.315 -3.355 1.00 1.00 C ATOM 23 CE1 PHE A 2 6.514 -5.783 -2.028 1.00 1.00 C ATOM 24 CE2 PHE A 2 4.568 -5.694 -3.405 1.00 1.00 C ATOM 25 CZ PHE A 2 5.527 -6.428 -2.742 1.00 1.00 C ATOM 0 HA PHE A 2 5.258 -2.576 -0.504 1.00 1.00 H new ATOM 0 HB2 PHE A 2 4.918 -1.703 -3.290 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.604 -1.761 -2.816 1.00 1.00 H new ATOM 0 HD1 PHE A 2 7.312 -3.901 -1.417 1.00 1.00 H new ATOM 0 HD2 PHE A 2 3.837 -3.746 -3.877 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.268 -6.356 -1.509 1.00 1.00 H new ATOM 0 HE2 PHE A 2 3.795 -6.199 -3.965 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.505 -7.507 -2.782 1.00 1.00 H new ATOM 35 N THR A 3 7.356 -1.229 -0.240 1.00 1.00 N ATOM 36 CA THR A 3 8.457 -0.405 0.345 1.00 1.00 C ATOM 37 C THR A 3 9.750 -0.724 -0.393 1.00 1.00 C ATOM 38 O THR A 3 9.764 -1.564 -1.276 1.00 1.00 O ATOM 39 CB THR A 3 8.615 -0.740 1.844 1.00 1.00 C ATOM 40 OG1 THR A 3 9.004 -2.106 1.866 1.00 1.00 O ATOM 41 CG2 THR A 3 7.253 -0.684 2.579 1.00 1.00 C ATOM 0 H THR A 3 7.579 -2.220 -0.335 1.00 1.00 H new ATOM 0 HA THR A 3 8.224 0.655 0.242 1.00 1.00 H new ATOM 0 HB THR A 3 9.310 -0.045 2.316 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.397 -2.628 1.301 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.398 -0.925 3.632 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.832 0.318 2.490 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.569 -1.406 2.133 1.00 1.00 H new ATOM 49 N ASN A 4 10.797 -0.047 -0.013 1.00 1.00 N ATOM 50 CA ASN A 4 12.118 -0.270 -0.665 1.00 1.00 C ATOM 51 C ASN A 4 13.162 -0.674 0.377 1.00 1.00 C ATOM 52 O ASN A 4 14.331 -0.371 0.242 1.00 1.00 O ATOM 53 CB ASN A 4 12.497 1.026 -1.377 1.00 1.00 C ATOM 54 CG ASN A 4 13.517 0.760 -2.497 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.175 1.023 -3.728 1.00 1.00 O flip ATOM 56 ND2 ASN A 4 14.626 0.317 -2.274 1.00 1.00 N flip ATOM 0 H ASN A 4 10.795 0.656 0.726 1.00 1.00 H new ATOM 0 HA ASN A 4 12.069 -1.084 -1.388 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.604 1.490 -1.796 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.915 1.731 -0.659 1.00 1.00 H new ATOM 0 HD21 ASN A 4 14.908 0.106 -1.317 1.00 1.00 H new ATOM 0 HD22 ASN A 4 15.275 0.156 -3.044 1.00 1.00 H new ATOM 63 N VAL A 5 12.712 -1.355 1.406 1.00 1.00 N ATOM 64 CA VAL A 5 13.630 -1.801 2.479 1.00 1.00 C ATOM 65 C VAL A 5 13.564 -3.322 2.592 1.00 1.00 C ATOM 66 O VAL A 5 12.545 -3.916 2.301 1.00 1.00 O ATOM 67 CB VAL A 5 13.196 -1.148 3.783 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.407 0.371 3.719 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.719 -1.457 4.125 1.00 1.00 C ATOM 0 H VAL A 5 11.736 -1.619 1.540 1.00 1.00 H new ATOM 0 HA VAL A 5 14.657 -1.513 2.255 1.00 1.00 H new ATOM 0 HB VAL A 5 13.817 -1.569 4.574 1.00 1.00 H new ATOM 0 HG11 VAL A 5 13.091 0.822 4.660 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.462 0.585 3.550 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.817 0.786 2.902 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.453 -0.971 5.064 1.00 1.00 H new ATOM 0 HG22 VAL A 5 11.075 -1.084 3.328 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.586 -2.534 4.224 1.00 1.00 H new ATOM 79 N SER A 6 14.661 -3.898 3.010 1.00 1.00 N ATOM 80 CA SER A 6 14.731 -5.382 3.166 1.00 1.00 C ATOM 81 C SER A 6 13.901 -5.868 4.370 1.00 1.00 C ATOM 82 O SER A 6 13.672 -5.107 5.291 1.00 1.00 O ATOM 83 CB SER A 6 16.204 -5.781 3.344 1.00 1.00 C ATOM 84 OG SER A 6 16.189 -7.203 3.399 1.00 1.00 O ATOM 0 H SER A 6 15.518 -3.400 3.252 1.00 1.00 H new ATOM 0 HA SER A 6 14.312 -5.852 2.276 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.814 -5.423 2.515 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.623 -5.354 4.255 1.00 1.00 H new ATOM 0 HG SER A 6 15.485 -7.546 2.810 1.00 1.00 H new ATOM 90 N CYS A 7 13.475 -7.110 4.327 1.00 1.00 N ATOM 91 CA CYS A 7 12.668 -7.678 5.457 1.00 1.00 C ATOM 92 C CYS A 7 13.219 -9.027 5.886 1.00 1.00 C ATOM 93 O CYS A 7 13.949 -9.676 5.160 1.00 1.00 O ATOM 94 CB CYS A 7 11.209 -7.896 5.051 1.00 1.00 C ATOM 95 SG CYS A 7 10.878 -8.908 3.590 1.00 1.00 S ATOM 0 H CYS A 7 13.652 -7.756 3.557 1.00 1.00 H new ATOM 0 HA CYS A 7 12.727 -6.956 6.272 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.691 -8.350 5.896 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.757 -6.917 4.889 1.00 1.00 H new ATOM 100 N SER A 8 12.828 -9.393 7.076 1.00 1.00 N ATOM 101 CA SER A 8 13.251 -10.687 7.671 1.00 1.00 C ATOM 102 C SER A 8 11.985 -11.349 8.251 1.00 1.00 C ATOM 103 O SER A 8 12.065 -12.032 9.253 1.00 1.00 O ATOM 104 CB SER A 8 14.315 -10.390 8.760 1.00 1.00 C ATOM 105 OG SER A 8 14.748 -11.671 9.194 1.00 1.00 O ATOM 0 H SER A 8 12.218 -8.834 7.673 1.00 1.00 H new ATOM 0 HA SER A 8 13.701 -11.365 6.945 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.143 -9.807 8.357 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.891 -9.815 9.583 1.00 1.00 H new ATOM 0 HG SER A 8 13.970 -12.254 9.320 1.00 1.00 H new ATOM 111 N ALA A 9 10.878 -11.103 7.573 1.00 1.00 N ATOM 112 CA ALA A 9 9.496 -11.628 7.913 1.00 1.00 C ATOM 113 C ALA A 9 8.412 -10.544 7.860 1.00 1.00 C ATOM 114 O ALA A 9 8.683 -9.360 7.911 1.00 1.00 O ATOM 115 CB ALA A 9 9.410 -12.244 9.341 1.00 1.00 C ATOM 0 H ALA A 9 10.878 -10.517 6.738 1.00 1.00 H new ATOM 0 HA ALA A 9 9.323 -12.389 7.151 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.396 -12.601 9.523 1.00 1.00 H new ATOM 0 HB2 ALA A 9 10.108 -13.077 9.420 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.665 -11.485 10.081 1.00 1.00 H new ATOM 121 N SER A 10 7.196 -11.025 7.759 1.00 1.00 N ATOM 122 CA SER A 10 5.981 -10.152 7.690 1.00 1.00 C ATOM 123 C SER A 10 5.663 -9.460 9.021 1.00 1.00 C ATOM 124 O SER A 10 5.503 -8.258 9.066 1.00 1.00 O ATOM 125 CB SER A 10 4.782 -11.017 7.265 1.00 1.00 C ATOM 126 OG SER A 10 5.138 -11.502 5.980 1.00 1.00 O ATOM 0 H SER A 10 6.989 -12.023 7.720 1.00 1.00 H new ATOM 0 HA SER A 10 6.181 -9.363 6.965 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.613 -11.834 7.966 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.863 -10.433 7.229 1.00 1.00 H new ATOM 0 HG SER A 10 4.419 -12.071 5.634 1.00 1.00 H new ATOM 132 N SER A 11 5.565 -10.256 10.057 1.00 1.00 N ATOM 133 CA SER A 11 5.268 -9.792 11.432 1.00 1.00 C ATOM 134 C SER A 11 6.038 -8.530 11.849 1.00 1.00 C ATOM 135 O SER A 11 5.469 -7.589 12.364 1.00 1.00 O ATOM 136 CB SER A 11 5.578 -10.984 12.327 1.00 1.00 C ATOM 137 OG SER A 11 6.953 -11.272 12.110 1.00 1.00 O ATOM 0 H SER A 11 5.688 -11.266 9.990 1.00 1.00 H new ATOM 0 HA SER A 11 4.228 -9.476 11.511 1.00 1.00 H new ATOM 0 HB2 SER A 11 5.386 -10.749 13.374 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.953 -11.840 12.072 1.00 1.00 H new ATOM 0 HG SER A 11 7.219 -12.036 12.664 1.00 1.00 H new ATOM 143 N GLN A 12 7.322 -8.564 11.604 1.00 1.00 N ATOM 144 CA GLN A 12 8.214 -7.417 11.949 1.00 1.00 C ATOM 145 C GLN A 12 7.962 -6.203 11.048 1.00 1.00 C ATOM 146 O GLN A 12 8.330 -5.096 11.396 1.00 1.00 O ATOM 147 CB GLN A 12 9.679 -7.873 11.823 1.00 1.00 C ATOM 148 CG GLN A 12 9.950 -8.404 10.410 1.00 1.00 C ATOM 149 CD GLN A 12 11.439 -8.715 10.282 1.00 1.00 C ATOM 150 OE1 GLN A 12 12.164 -7.984 9.480 1.00 1.00 O flip ATOM 151 NE2 GLN A 12 11.953 -9.619 10.911 1.00 1.00 N flip ATOM 0 H GLN A 12 7.799 -9.354 11.171 1.00 1.00 H new ATOM 0 HA GLN A 12 7.998 -7.108 12.972 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.347 -7.039 12.040 1.00 1.00 H new ATOM 0 HB3 GLN A 12 9.890 -8.650 12.558 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.359 -9.301 10.223 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.653 -7.666 9.665 1.00 1.00 H new ATOM 0 HE21 GLN A 12 11.387 -10.190 11.538 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.951 -9.806 10.812 1.00 1.00 H new ATOM 160 N CYS A 13 7.347 -6.438 9.915 1.00 1.00 N ATOM 161 CA CYS A 13 7.046 -5.323 8.967 1.00 1.00 C ATOM 162 C CYS A 13 5.802 -4.584 9.404 1.00 1.00 C ATOM 163 O CYS A 13 5.656 -3.423 9.115 1.00 1.00 O ATOM 164 CB CYS A 13 6.802 -5.857 7.577 1.00 1.00 C ATOM 165 SG CYS A 13 6.801 -4.555 6.322 1.00 1.00 S ATOM 0 H CYS A 13 7.039 -7.360 9.605 1.00 1.00 H new ATOM 0 HA CYS A 13 7.905 -4.652 8.964 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.571 -6.591 7.334 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.845 -6.379 7.555 1.00 1.00 H new ATOM 170 N TRP A 14 4.927 -5.259 10.078 1.00 1.00 N ATOM 171 CA TRP A 14 3.661 -4.650 10.566 1.00 1.00 C ATOM 172 C TRP A 14 3.838 -3.228 11.158 1.00 1.00 C ATOM 173 O TRP A 14 3.142 -2.321 10.742 1.00 1.00 O ATOM 174 CB TRP A 14 3.090 -5.649 11.580 1.00 1.00 C ATOM 175 CG TRP A 14 2.591 -6.929 10.877 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.797 -7.270 9.573 1.00 1.00 C ATOM 177 CD2 TRP A 14 1.866 -7.905 11.465 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.182 -8.428 9.459 1.00 1.00 N ATOM 179 CE2 TRP A 14 1.587 -8.902 10.539 1.00 1.00 C ATOM 180 CE3 TRP A 14 1.402 -8.027 12.772 1.00 1.00 C ATOM 181 CZ2 TRP A 14 0.848 -10.020 10.914 1.00 1.00 C ATOM 182 CZ3 TRP A 14 0.663 -9.143 13.151 1.00 1.00 C ATOM 183 CH2 TRP A 14 0.384 -10.141 12.221 1.00 1.00 C ATOM 0 H TRP A 14 5.038 -6.243 10.322 1.00 1.00 H new ATOM 0 HA TRP A 14 2.973 -4.483 9.737 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.856 -5.907 12.312 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.268 -5.187 12.127 1.00 1.00 H new ATOM 0 HD1 TRP A 14 3.336 -6.721 8.815 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.166 -8.937 8.575 1.00 1.00 H new ATOM 0 HE3 TRP A 14 1.616 -7.253 13.494 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 0.634 -10.794 10.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 0.306 -9.235 14.166 1.00 1.00 H new ATOM 0 HH2 TRP A 14 -0.191 -11.007 12.513 1.00 1.00 H new ATOM 194 N PRO A 15 4.745 -3.046 12.097 1.00 1.00 N ATOM 195 CA PRO A 15 5.092 -1.696 12.627 1.00 1.00 C ATOM 196 C PRO A 15 5.687 -0.788 11.534 1.00 1.00 C ATOM 197 O PRO A 15 5.461 0.401 11.541 1.00 1.00 O ATOM 198 CB PRO A 15 6.062 -1.983 13.780 1.00 1.00 C ATOM 199 CG PRO A 15 6.740 -3.291 13.324 1.00 1.00 C ATOM 200 CD PRO A 15 5.561 -4.106 12.763 1.00 1.00 C ATOM 0 HA PRO A 15 4.222 -1.139 12.974 1.00 1.00 H new ATOM 0 HB2 PRO A 15 6.783 -1.177 13.914 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.540 -2.105 14.729 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.503 -3.109 12.567 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.229 -3.804 14.152 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.891 -4.870 12.059 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.005 -4.616 13.550 1.00 1.00 H new ATOM 208 N VAL A 16 6.432 -1.380 10.625 1.00 1.00 N ATOM 209 CA VAL A 16 7.050 -0.557 9.525 1.00 1.00 C ATOM 210 C VAL A 16 5.865 0.005 8.722 1.00 1.00 C ATOM 211 O VAL A 16 5.724 1.197 8.585 1.00 1.00 O ATOM 212 CB VAL A 16 7.953 -1.479 8.650 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.635 -0.652 7.545 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.043 -2.124 9.535 1.00 1.00 C ATOM 0 H VAL A 16 6.637 -2.379 10.594 1.00 1.00 H new ATOM 0 HA VAL A 16 7.680 0.252 9.895 1.00 1.00 H new ATOM 0 HB VAL A 16 7.333 -2.253 8.197 1.00 1.00 H new ATOM 0 HG11 VAL A 16 9.264 -1.304 6.938 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.875 -0.191 6.914 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.250 0.125 7.999 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.674 -2.769 8.923 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.653 -1.343 9.988 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.572 -2.716 10.319 1.00 1.00 H new ATOM 224 N CYS A 17 5.063 -0.894 8.222 1.00 1.00 N ATOM 225 CA CYS A 17 3.835 -0.600 7.416 1.00 1.00 C ATOM 226 C CYS A 17 3.052 0.479 8.138 1.00 1.00 C ATOM 227 O CYS A 17 2.610 1.443 7.549 1.00 1.00 O ATOM 228 CB CYS A 17 3.036 -1.899 7.325 1.00 1.00 C ATOM 229 SG CYS A 17 1.431 -1.992 6.491 1.00 1.00 S ATOM 0 H CYS A 17 5.221 -1.894 8.349 1.00 1.00 H new ATOM 0 HA CYS A 17 4.066 -0.247 6.411 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.683 -2.631 6.841 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.877 -2.241 8.348 1.00 1.00 H new ATOM 234 N LYS A 18 2.904 0.262 9.416 1.00 1.00 N ATOM 235 CA LYS A 18 2.169 1.225 10.274 1.00 1.00 C ATOM 236 C LYS A 18 2.797 2.615 10.220 1.00 1.00 C ATOM 237 O LYS A 18 2.099 3.602 10.112 1.00 1.00 O ATOM 238 CB LYS A 18 2.174 0.683 11.703 1.00 1.00 C ATOM 239 CG LYS A 18 1.315 1.552 12.634 1.00 1.00 C ATOM 240 CD LYS A 18 -0.150 1.482 12.179 1.00 1.00 C ATOM 241 CE LYS A 18 -0.998 2.267 13.157 1.00 1.00 C ATOM 242 NZ LYS A 18 -2.424 2.240 12.732 1.00 1.00 N ATOM 0 H LYS A 18 3.268 -0.555 9.906 1.00 1.00 H new ATOM 0 HA LYS A 18 1.146 1.329 9.912 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.798 -0.340 11.707 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.197 0.648 12.077 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.406 1.204 13.663 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.666 2.584 12.614 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.254 1.892 11.174 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.484 0.445 12.136 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.900 1.844 14.157 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.646 3.297 13.211 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.935 3.026 13.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.480 2.337 11.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -2.855 1.338 13.019 1.00 1.00 H new ATOM 256 N LYS A 19 4.100 2.648 10.301 1.00 1.00 N ATOM 257 CA LYS A 19 4.807 3.964 10.259 1.00 1.00 C ATOM 258 C LYS A 19 4.659 4.638 8.879 1.00 1.00 C ATOM 259 O LYS A 19 4.405 5.821 8.783 1.00 1.00 O ATOM 260 CB LYS A 19 6.301 3.717 10.589 1.00 1.00 C ATOM 261 CG LYS A 19 7.125 5.036 10.592 1.00 1.00 C ATOM 262 CD LYS A 19 6.594 6.072 11.627 1.00 1.00 C ATOM 263 CE LYS A 19 6.629 5.505 13.065 1.00 1.00 C ATOM 264 NZ LYS A 19 8.021 5.127 13.444 1.00 1.00 N ATOM 0 H LYS A 19 4.702 1.830 10.394 1.00 1.00 H new ATOM 0 HA LYS A 19 4.365 4.640 10.991 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.382 3.237 11.564 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.724 3.027 9.859 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.168 4.808 10.814 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.100 5.478 9.596 1.00 1.00 H new ATOM 0 HD2 LYS A 19 7.197 6.979 11.578 1.00 1.00 H new ATOM 0 HD3 LYS A 19 5.573 6.354 11.370 1.00 1.00 H new ATOM 0 HE2 LYS A 19 6.244 6.247 13.764 1.00 1.00 H new ATOM 0 HE3 LYS A 19 5.978 4.634 13.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 8.061 4.926 14.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.308 4.280 12.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.667 5.911 13.221 1.00 1.00 H new ATOM 278 N LEU A 20 4.825 3.842 7.858 1.00 1.00 N ATOM 279 CA LEU A 20 4.738 4.276 6.447 1.00 1.00 C ATOM 280 C LEU A 20 3.376 4.657 5.851 1.00 1.00 C ATOM 281 O LEU A 20 3.224 5.739 5.318 1.00 1.00 O ATOM 282 CB LEU A 20 5.355 3.150 5.630 1.00 1.00 C ATOM 283 CG LEU A 20 6.828 2.862 6.018 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.307 1.670 5.170 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.727 4.083 5.734 1.00 1.00 C ATOM 0 H LEU A 20 5.030 2.848 7.962 1.00 1.00 H new ATOM 0 HA LEU A 20 5.255 5.235 6.412 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.765 2.244 5.765 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.307 3.407 4.572 1.00 1.00 H new ATOM 0 HG LEU A 20 6.889 2.642 7.084 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.343 1.440 5.418 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.682 0.801 5.378 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.235 1.924 4.112 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.754 3.852 6.016 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.688 4.325 4.672 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.375 4.937 6.313 1.00 1.00 H new ATOM 297 N PHE A 21 2.430 3.762 5.956 1.00 1.00 N ATOM 298 CA PHE A 21 1.075 3.964 5.420 1.00 1.00 C ATOM 299 C PHE A 21 0.070 4.313 6.514 1.00 1.00 C ATOM 300 O PHE A 21 -0.734 5.204 6.355 1.00 1.00 O ATOM 301 CB PHE A 21 0.807 2.651 4.719 1.00 1.00 C ATOM 302 CG PHE A 21 1.928 2.411 3.678 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.874 3.006 2.433 1.00 1.00 C ATOM 304 CD2 PHE A 21 3.012 1.614 3.989 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.887 2.808 1.520 1.00 1.00 C ATOM 306 CE2 PHE A 21 4.023 1.415 3.082 1.00 1.00 C ATOM 307 CZ PHE A 21 3.963 2.011 1.844 1.00 1.00 C ATOM 0 H PHE A 21 2.561 2.861 6.416 1.00 1.00 H new ATOM 0 HA PHE A 21 0.982 4.814 4.744 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.780 1.835 5.441 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.166 2.675 4.229 1.00 1.00 H new ATOM 0 HD1 PHE A 21 1.032 3.631 2.173 1.00 1.00 H new ATOM 0 HD2 PHE A 21 3.065 1.141 4.958 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.837 3.278 0.549 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.865 0.791 3.341 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.757 1.855 1.128 1.00 1.00 H new ATOM 317 N GLY A 22 0.173 3.586 7.593 1.00 1.00 N ATOM 318 CA GLY A 22 -0.721 3.784 8.765 1.00 1.00 C ATOM 319 C GLY A 22 -1.490 2.489 9.013 1.00 1.00 C ATOM 320 O GLY A 22 -2.497 2.491 9.692 1.00 1.00 O ATOM 0 H GLY A 22 0.861 2.842 7.712 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -0.137 4.052 9.646 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.413 4.605 8.579 1.00 1.00 H new ATOM 324 N THR A 23 -0.982 1.418 8.448 1.00 1.00 N ATOM 325 CA THR A 23 -1.606 0.082 8.594 1.00 1.00 C ATOM 326 C THR A 23 -0.640 -0.814 9.366 1.00 1.00 C ATOM 327 O THR A 23 0.533 -0.809 9.084 1.00 1.00 O ATOM 328 CB THR A 23 -1.871 -0.431 7.181 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.825 0.021 6.336 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.167 0.115 6.569 1.00 1.00 C ATOM 0 H THR A 23 -0.136 1.425 7.878 1.00 1.00 H new ATOM 0 HA THR A 23 -2.545 0.105 9.147 1.00 1.00 H new ATOM 0 HB THR A 23 -1.942 -1.516 7.255 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.313 -0.748 6.009 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.294 -0.290 5.565 1.00 1.00 H new ATOM 0 HG22 THR A 23 -4.014 -0.179 7.188 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.115 1.203 6.518 1.00 1.00 H new ATOM 338 N TYR A 24 -1.149 -1.577 10.303 1.00 1.00 N ATOM 339 CA TYR A 24 -0.247 -2.474 11.096 1.00 1.00 C ATOM 340 C TYR A 24 -0.236 -3.881 10.479 1.00 1.00 C ATOM 341 O TYR A 24 0.150 -4.844 11.105 1.00 1.00 O ATOM 342 CB TYR A 24 -0.773 -2.498 12.563 1.00 1.00 C ATOM 343 CG TYR A 24 0.401 -2.701 13.532 1.00 1.00 C ATOM 344 CD1 TYR A 24 0.929 -3.947 13.814 1.00 1.00 C ATOM 345 CD2 TYR A 24 0.970 -1.597 14.130 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.000 -4.077 14.671 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.040 -1.724 14.987 1.00 1.00 C ATOM 348 CZ TYR A 24 2.564 -2.965 15.262 1.00 1.00 C ATOM 349 OH TYR A 24 3.639 -3.096 16.118 1.00 1.00 O ATOM 0 H TYR A 24 -2.137 -1.619 10.552 1.00 1.00 H new ATOM 0 HA TYR A 24 0.779 -2.107 11.084 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.287 -1.564 12.790 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.501 -3.300 12.685 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.498 -4.826 13.359 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.570 -0.616 13.923 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.401 -5.057 14.882 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.469 -0.845 15.445 1.00 1.00 H new ATOM 0 HH TYR A 24 3.909 -2.211 16.442 1.00 1.00 H new ATOM 359 N ARG A 25 -0.677 -3.954 9.251 1.00 1.00 N ATOM 360 CA ARG A 25 -0.732 -5.218 8.510 1.00 1.00 C ATOM 361 C ARG A 25 0.006 -5.045 7.182 1.00 1.00 C ATOM 362 O ARG A 25 -0.442 -4.348 6.291 1.00 1.00 O ATOM 363 CB ARG A 25 -2.199 -5.536 8.330 1.00 1.00 C ATOM 364 CG ARG A 25 -2.757 -6.305 9.557 1.00 1.00 C ATOM 365 CD ARG A 25 -2.099 -7.702 9.689 1.00 1.00 C ATOM 366 NE ARG A 25 -2.683 -8.382 10.882 1.00 1.00 N ATOM 367 CZ ARG A 25 -3.300 -9.523 10.747 1.00 1.00 C ATOM 368 NH1 ARG A 25 -2.595 -10.623 10.745 1.00 1.00 N ATOM 369 NH2 ARG A 25 -4.596 -9.528 10.621 1.00 1.00 N ATOM 0 H ARG A 25 -1.011 -3.148 8.723 1.00 1.00 H new ATOM 0 HA ARG A 25 -0.246 -6.043 9.030 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.760 -4.612 8.190 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.337 -6.133 7.429 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -2.577 -5.728 10.464 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.837 -6.416 9.459 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -2.277 -8.292 8.790 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -1.019 -7.605 9.798 1.00 1.00 H new ATOM 0 HE ARG A 25 -2.600 -7.954 11.804 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -1.581 -10.579 10.848 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -3.058 -11.526 10.641 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -5.113 -8.649 10.629 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -5.095 -10.411 10.514 1.00 1.00 H new ATOM 383 N GLY A 26 1.136 -5.685 7.118 1.00 1.00 N ATOM 384 CA GLY A 26 2.009 -5.658 5.920 1.00 1.00 C ATOM 385 C GLY A 26 2.692 -7.024 5.863 1.00 1.00 C ATOM 386 O GLY A 26 2.522 -7.837 6.750 1.00 1.00 O ATOM 0 H GLY A 26 1.504 -6.250 7.883 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.426 -5.476 5.017 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.745 -4.857 5.992 1.00 1.00 H new ATOM 390 N LYS A 27 3.445 -7.259 4.822 1.00 1.00 N ATOM 391 CA LYS A 27 4.149 -8.573 4.713 1.00 1.00 C ATOM 392 C LYS A 27 5.558 -8.401 4.149 1.00 1.00 C ATOM 393 O LYS A 27 5.970 -7.319 3.787 1.00 1.00 O ATOM 394 CB LYS A 27 3.340 -9.551 3.806 1.00 1.00 C ATOM 395 CG LYS A 27 3.140 -8.977 2.396 1.00 1.00 C ATOM 396 CD LYS A 27 2.664 -10.077 1.432 1.00 1.00 C ATOM 397 CE LYS A 27 1.216 -10.550 1.651 1.00 1.00 C ATOM 398 NZ LYS A 27 0.259 -9.517 1.163 1.00 1.00 N ATOM 0 H LYS A 27 3.603 -6.609 4.052 1.00 1.00 H new ATOM 0 HA LYS A 27 4.226 -8.990 5.717 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.863 -10.505 3.741 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.369 -9.750 4.260 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.409 -8.169 2.426 1.00 1.00 H new ATOM 0 HG3 LYS A 27 4.075 -8.548 2.035 1.00 1.00 H new ATOM 0 HD2 LYS A 27 2.760 -9.710 0.410 1.00 1.00 H new ATOM 0 HD3 LYS A 27 3.329 -10.935 1.527 1.00 1.00 H new ATOM 0 HE2 LYS A 27 1.049 -11.489 1.124 1.00 1.00 H new ATOM 0 HE3 LYS A 27 1.045 -10.744 2.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -0.571 -9.983 0.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -0.044 -8.921 1.959 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 0.723 -8.925 0.445 1.00 1.00 H new ATOM 412 N CYS A 28 6.238 -9.514 4.112 1.00 1.00 N ATOM 413 CA CYS A 28 7.629 -9.584 3.599 1.00 1.00 C ATOM 414 C CYS A 28 7.641 -10.377 2.291 1.00 1.00 C ATOM 415 O CYS A 28 7.413 -11.572 2.269 1.00 1.00 O ATOM 416 CB CYS A 28 8.449 -10.253 4.671 1.00 1.00 C ATOM 417 SG CYS A 28 10.180 -10.650 4.323 1.00 1.00 S ATOM 0 H CYS A 28 5.868 -10.410 4.430 1.00 1.00 H new ATOM 0 HA CYS A 28 8.043 -8.599 3.382 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.428 -9.611 5.552 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.945 -11.181 4.941 1.00 1.00 H new ATOM 422 N MET A 29 7.908 -9.647 1.237 1.00 1.00 N ATOM 423 CA MET A 29 7.964 -10.231 -0.130 1.00 1.00 C ATOM 424 C MET A 29 9.262 -9.822 -0.786 1.00 1.00 C ATOM 425 O MET A 29 9.723 -8.711 -0.614 1.00 1.00 O ATOM 426 CB MET A 29 6.796 -9.716 -0.972 1.00 1.00 C ATOM 427 CG MET A 29 5.518 -10.369 -0.473 1.00 1.00 C ATOM 428 SD MET A 29 5.401 -12.176 -0.563 1.00 1.00 S ATOM 429 CE MET A 29 4.794 -12.305 -2.265 1.00 1.00 C ATOM 0 H MET A 29 8.094 -8.645 1.273 1.00 1.00 H new ATOM 0 HA MET A 29 7.901 -11.317 -0.058 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.722 -8.631 -0.895 1.00 1.00 H new ATOM 0 HB3 MET A 29 6.955 -9.950 -2.025 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.376 -10.076 0.567 1.00 1.00 H new ATOM 0 HG3 MET A 29 4.685 -9.951 -1.039 1.00 1.00 H new ATOM 0 HE1 MET A 29 4.654 -13.355 -2.523 1.00 1.00 H new ATOM 0 HE2 MET A 29 3.843 -11.779 -2.353 1.00 1.00 H new ATOM 0 HE3 MET A 29 5.520 -11.859 -2.945 1.00 1.00 H new ATOM 439 N ASN A 30 9.779 -10.755 -1.539 1.00 1.00 N ATOM 440 CA ASN A 30 11.074 -10.565 -2.276 1.00 1.00 C ATOM 441 C ASN A 30 12.073 -9.900 -1.304 1.00 1.00 C ATOM 442 O ASN A 30 12.698 -8.903 -1.599 1.00 1.00 O ATOM 443 CB ASN A 30 10.821 -9.663 -3.514 1.00 1.00 C ATOM 444 CG ASN A 30 9.782 -10.317 -4.434 1.00 1.00 C ATOM 445 OD1 ASN A 30 8.637 -10.508 -4.070 1.00 1.00 O ATOM 446 ND2 ASN A 30 10.139 -10.674 -5.637 1.00 1.00 N ATOM 0 H ASN A 30 9.349 -11.669 -1.681 1.00 1.00 H new ATOM 0 HA ASN A 30 11.480 -11.515 -2.622 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.470 -8.682 -3.194 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.753 -9.506 -4.057 1.00 1.00 H new ATOM 0 HD21 ASN A 30 9.461 -11.109 -6.262 1.00 1.00 H new ATOM 0 HD22 ASN A 30 11.097 -10.518 -5.952 1.00 1.00 H new ATOM 453 N SER A 31 12.161 -10.534 -0.157 1.00 1.00 N ATOM 454 CA SER A 31 13.049 -10.099 0.964 1.00 1.00 C ATOM 455 C SER A 31 12.980 -8.585 1.224 1.00 1.00 C ATOM 456 O SER A 31 13.965 -7.970 1.583 1.00 1.00 O ATOM 457 CB SER A 31 14.499 -10.519 0.625 1.00 1.00 C ATOM 458 OG SER A 31 14.426 -11.932 0.490 1.00 1.00 O ATOM 0 H SER A 31 11.625 -11.376 0.053 1.00 1.00 H new ATOM 0 HA SER A 31 12.708 -10.582 1.880 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.846 -10.048 -0.294 1.00 1.00 H new ATOM 0 HB3 SER A 31 15.193 -10.229 1.414 1.00 1.00 H new ATOM 0 HG SER A 31 15.313 -12.286 0.271 1.00 1.00 H new ATOM 464 N LYS A 32 11.801 -8.039 1.036 1.00 1.00 N ATOM 465 CA LYS A 32 11.565 -6.575 1.249 1.00 1.00 C ATOM 466 C LYS A 32 10.181 -6.387 1.864 1.00 1.00 C ATOM 467 O LYS A 32 9.324 -7.230 1.695 1.00 1.00 O ATOM 468 CB LYS A 32 11.649 -5.821 -0.089 1.00 1.00 C ATOM 469 CG LYS A 32 13.116 -5.801 -0.581 1.00 1.00 C ATOM 470 CD LYS A 32 13.261 -4.985 -1.885 1.00 1.00 C ATOM 471 CE LYS A 32 13.001 -3.492 -1.613 1.00 1.00 C ATOM 472 NZ LYS A 32 13.225 -2.696 -2.854 1.00 1.00 N ATOM 0 H LYS A 32 10.975 -8.558 0.738 1.00 1.00 H new ATOM 0 HA LYS A 32 12.328 -6.176 1.918 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.012 -6.303 -0.831 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.281 -4.802 0.032 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.755 -5.372 0.191 1.00 1.00 H new ATOM 0 HG3 LYS A 32 13.459 -6.822 -0.748 1.00 1.00 H new ATOM 0 HD2 LYS A 32 14.262 -5.118 -2.296 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.558 -5.353 -2.632 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.979 -3.351 -1.262 1.00 1.00 H new ATOM 0 HE3 LYS A 32 13.662 -3.139 -0.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 14.064 -2.093 -2.733 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 13.374 -3.340 -3.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 12.393 -2.099 -3.039 1.00 1.00 H new ATOM 486 N CYS A 33 9.979 -5.294 2.557 1.00 1.00 N ATOM 487 CA CYS A 33 8.646 -5.062 3.183 1.00 1.00 C ATOM 488 C CYS A 33 7.522 -4.725 2.196 1.00 1.00 C ATOM 489 O CYS A 33 7.752 -4.291 1.084 1.00 1.00 O ATOM 490 CB CYS A 33 8.781 -3.919 4.188 1.00 1.00 C ATOM 491 SG CYS A 33 8.766 -4.268 5.960 1.00 1.00 S ATOM 0 H CYS A 33 10.672 -4.562 2.714 1.00 1.00 H new ATOM 0 HA CYS A 33 8.357 -6.002 3.653 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.715 -3.402 3.967 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.973 -3.215 3.989 1.00 1.00 H new ATOM 496 N ARG A 34 6.331 -4.961 2.671 1.00 1.00 N ATOM 497 CA ARG A 34 5.100 -4.690 1.899 1.00 1.00 C ATOM 498 C ARG A 34 4.065 -4.234 2.926 1.00 1.00 C ATOM 499 O ARG A 34 4.098 -4.644 4.070 1.00 1.00 O ATOM 500 CB ARG A 34 4.631 -5.948 1.235 1.00 1.00 C ATOM 501 CG ARG A 34 3.551 -5.619 0.238 1.00 1.00 C ATOM 502 CD ARG A 34 3.028 -6.915 -0.351 1.00 1.00 C ATOM 503 NE ARG A 34 2.063 -6.523 -1.404 1.00 1.00 N ATOM 504 CZ ARG A 34 0.814 -6.885 -1.313 1.00 1.00 C ATOM 505 NH1 ARG A 34 0.477 -8.096 -1.658 1.00 1.00 N ATOM 506 NH2 ARG A 34 -0.051 -6.018 -0.877 1.00 1.00 N ATOM 0 H ARG A 34 6.162 -5.346 3.600 1.00 1.00 H new ATOM 0 HA ARG A 34 5.263 -3.942 1.123 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.465 -6.440 0.734 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.251 -6.646 1.981 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.743 -5.070 0.722 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.946 -4.977 -0.550 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.840 -7.510 -0.768 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.546 -7.525 0.413 1.00 1.00 H new ATOM 0 HE ARG A 34 2.376 -5.969 -2.201 1.00 1.00 H new ATOM 0 HH11 ARG A 34 1.187 -8.747 -1.994 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.497 -8.393 -1.592 1.00 1.00 H new ATOM 0 HH21 ARG A 34 0.254 -5.080 -0.616 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -1.035 -6.275 -0.796 1.00 1.00 H new ATOM 520 N CYS A 35 3.183 -3.401 2.461 1.00 1.00 N ATOM 521 CA CYS A 35 2.089 -2.846 3.316 1.00 1.00 C ATOM 522 C CYS A 35 0.763 -2.894 2.549 1.00 1.00 C ATOM 523 O CYS A 35 0.751 -3.117 1.355 1.00 1.00 O ATOM 524 CB CYS A 35 2.422 -1.399 3.681 1.00 1.00 C ATOM 525 SG CYS A 35 1.429 -0.648 4.986 1.00 1.00 S ATOM 0 H CYS A 35 3.170 -3.069 1.497 1.00 1.00 H new ATOM 0 HA CYS A 35 1.997 -3.440 4.226 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.469 -1.355 3.981 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.322 -0.789 2.783 1.00 1.00 H new ATOM 530 N TYR A 36 -0.309 -2.684 3.257 1.00 1.00 N ATOM 531 CA TYR A 36 -1.659 -2.697 2.638 1.00 1.00 C ATOM 532 C TYR A 36 -2.284 -1.312 2.866 1.00 1.00 C ATOM 533 O TYR A 36 -1.627 -0.407 3.348 1.00 1.00 O ATOM 534 CB TYR A 36 -2.481 -3.795 3.314 1.00 1.00 C ATOM 535 CG TYR A 36 -1.703 -5.128 3.402 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.876 -5.575 2.384 1.00 1.00 C ATOM 537 CD2 TYR A 36 -1.821 -5.897 4.539 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.182 -6.760 2.515 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.131 -7.078 4.670 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.304 -7.520 3.660 1.00 1.00 C ATOM 541 OH TYR A 36 0.373 -8.704 3.820 1.00 1.00 O ATOM 0 H TYR A 36 -0.305 -2.500 4.260 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.621 -2.901 1.568 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.762 -3.472 4.316 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.405 -3.951 2.758 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.774 -4.991 1.481 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -2.466 -5.566 5.340 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.462 -7.095 1.715 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -1.237 -7.664 5.571 1.00 1.00 H new ATOM 0 HH TYR A 36 0.156 -9.089 4.694 1.00 1.00 H new