USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 274 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -1.25 (180deg=-1.25) USER MOD Single : A 3 THR OG1 : rot -61:sc= 0.149 USER MOD Single : A 4 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 8 SER OG : rot -52:sc= 0.633 USER MOD Single : A 10 SER OG : rot 180:sc= 0.197 USER MOD Single : A 11 SER OG : rot 180:sc= -0.116 USER MOD Single : A 12 GLN : amide:sc= -5.14! C(o=-5.1!,f=-7.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= -0.0629 (180deg=-0.546) USER MOD Single : A 23 THR OG1 : rot 137:sc= 0.549! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0589 (180deg=-0.603) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00937 USER MOD Single : A 37 SER OG : rot 180:sc= -0.484 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 0.998 -0.739 0.368 1.00 1.00 N HETATM 2 CA PCA A 1 1.576 -0.863 -0.969 1.00 1.00 C HETATM 3 CB PCA A 1 1.581 0.613 -1.415 1.00 1.00 C HETATM 4 CG PCA A 1 0.241 1.081 -0.804 1.00 1.00 C HETATM 5 CD PCA A 1 0.254 0.311 0.512 1.00 1.00 C HETATM 6 OE PCA A 1 -0.332 0.648 1.517 1.00 1.00 O HETATM 7 C PCA A 1 2.903 -1.597 -0.846 1.00 1.00 C HETATM 8 O PCA A 1 2.955 -2.758 -0.498 1.00 1.00 O HETATM 0 H2 PCA A 1 0.088 -0.239 0.308 1.00 1.00 H new HETATM 0 HA PCA A 1 1.063 -1.460 -1.723 1.00 1.00 H new HETATM 0 HB2 PCA A 1 2.434 1.165 -1.021 1.00 1.00 H new HETATM 0 HB3 PCA A 1 1.605 0.721 -2.499 1.00 1.00 H new HETATM 0 HG2 PCA A 1 0.208 2.160 -0.653 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -0.613 0.820 -1.429 1.00 1.00 H new ATOM 15 N PHE A 2 3.922 -0.866 -1.150 1.00 1.00 N ATOM 16 CA PHE A 2 5.331 -1.325 -1.118 1.00 1.00 C ATOM 17 C PHE A 2 6.164 -0.506 -0.137 1.00 1.00 C ATOM 18 O PHE A 2 5.753 0.511 0.360 1.00 1.00 O ATOM 19 CB PHE A 2 5.789 -1.207 -2.565 1.00 1.00 C ATOM 20 CG PHE A 2 7.261 -0.895 -2.799 1.00 1.00 C ATOM 21 CD1 PHE A 2 7.713 0.405 -2.760 1.00 1.00 C ATOM 22 CD2 PHE A 2 8.164 -1.907 -3.072 1.00 1.00 C ATOM 23 CE1 PHE A 2 9.043 0.694 -2.991 1.00 1.00 C ATOM 24 CE2 PHE A 2 9.493 -1.618 -3.306 1.00 1.00 C ATOM 25 CZ PHE A 2 9.935 -0.311 -3.265 1.00 1.00 C ATOM 0 H PHE A 2 3.828 0.107 -1.442 1.00 1.00 H new ATOM 0 HA PHE A 2 5.446 -2.346 -0.754 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.556 -2.143 -3.072 1.00 1.00 H new ATOM 0 HB3 PHE A 2 5.197 -0.428 -3.046 1.00 1.00 H new ATOM 0 HD1 PHE A 2 7.021 1.206 -2.547 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.826 -2.932 -3.102 1.00 1.00 H new ATOM 0 HE1 PHE A 2 9.383 1.718 -2.956 1.00 1.00 H new ATOM 0 HE2 PHE A 2 10.188 -2.416 -3.522 1.00 1.00 H new ATOM 0 HZ PHE A 2 10.975 -0.082 -3.447 1.00 1.00 H new ATOM 35 N THR A 3 7.336 -1.029 0.071 1.00 1.00 N ATOM 36 CA THR A 3 8.325 -0.387 1.003 1.00 1.00 C ATOM 37 C THR A 3 9.710 -0.487 0.370 1.00 1.00 C ATOM 38 O THR A 3 9.883 -1.202 -0.587 1.00 1.00 O ATOM 39 CB THR A 3 8.361 -1.107 2.380 1.00 1.00 C ATOM 40 OG1 THR A 3 8.954 -2.373 2.145 1.00 1.00 O ATOM 41 CG2 THR A 3 6.938 -1.437 2.887 1.00 1.00 C ATOM 0 H THR A 3 7.665 -1.889 -0.369 1.00 1.00 H new ATOM 0 HA THR A 3 8.029 0.650 1.165 1.00 1.00 H new ATOM 0 HB THR A 3 8.881 -0.471 3.096 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.406 -2.878 1.509 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.003 -1.940 3.852 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.368 -0.515 2.996 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.439 -2.090 2.171 1.00 1.00 H new ATOM 49 N ASN A 4 10.659 0.204 0.935 1.00 1.00 N ATOM 50 CA ASN A 4 12.043 0.163 0.375 1.00 1.00 C ATOM 51 C ASN A 4 13.040 -0.359 1.404 1.00 1.00 C ATOM 52 O ASN A 4 14.208 -0.016 1.365 1.00 1.00 O ATOM 53 CB ASN A 4 12.373 1.584 -0.051 1.00 1.00 C ATOM 54 CG ASN A 4 13.637 1.615 -0.922 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.685 1.041 -1.990 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.680 2.275 -0.498 1.00 1.00 N ATOM 0 H ASN A 4 10.540 0.795 1.758 1.00 1.00 H new ATOM 0 HA ASN A 4 12.104 -0.520 -0.472 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.534 2.006 -0.605 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.519 2.208 0.831 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.528 2.306 -1.063 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.647 2.760 0.399 1.00 1.00 H new ATOM 63 N VAL A 5 12.564 -1.187 2.301 1.00 1.00 N ATOM 64 CA VAL A 5 13.452 -1.757 3.336 1.00 1.00 C ATOM 65 C VAL A 5 13.386 -3.277 3.274 1.00 1.00 C ATOM 66 O VAL A 5 12.396 -3.838 2.849 1.00 1.00 O ATOM 67 CB VAL A 5 12.987 -1.260 4.693 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.249 0.249 4.831 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.490 -1.547 4.934 1.00 1.00 C ATOM 0 H VAL A 5 11.591 -1.489 2.353 1.00 1.00 H new ATOM 0 HA VAL A 5 14.484 -1.447 3.170 1.00 1.00 H new ATOM 0 HB VAL A 5 13.560 -1.803 5.445 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.910 0.589 5.809 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.317 0.444 4.729 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.706 0.785 4.052 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.202 -1.174 5.917 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.896 -1.048 4.168 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.313 -2.622 4.887 1.00 1.00 H new ATOM 79 N SER A 6 14.452 -3.892 3.709 1.00 1.00 N ATOM 80 CA SER A 6 14.580 -5.344 3.734 1.00 1.00 C ATOM 81 C SER A 6 13.674 -5.943 4.819 1.00 1.00 C ATOM 82 O SER A 6 13.358 -5.261 5.776 1.00 1.00 O ATOM 83 CB SER A 6 16.049 -5.546 3.969 1.00 1.00 C ATOM 84 OG SER A 6 16.372 -4.858 5.175 1.00 1.00 O ATOM 0 H SER A 6 15.273 -3.402 4.063 1.00 1.00 H new ATOM 0 HA SER A 6 14.257 -5.851 2.825 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.284 -6.607 4.054 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.631 -5.156 3.134 1.00 1.00 H new ATOM 0 HG SER A 6 17.327 -4.966 5.368 1.00 1.00 H new ATOM 90 N CYS A 7 13.282 -7.185 4.655 1.00 1.00 N ATOM 91 CA CYS A 7 12.405 -7.824 5.686 1.00 1.00 C ATOM 92 C CYS A 7 12.968 -9.150 6.168 1.00 1.00 C ATOM 93 O CYS A 7 13.749 -9.797 5.495 1.00 1.00 O ATOM 94 CB CYS A 7 11.005 -8.078 5.119 1.00 1.00 C ATOM 95 SG CYS A 7 10.795 -9.068 3.621 1.00 1.00 S ATOM 0 H CYS A 7 13.528 -7.777 3.862 1.00 1.00 H new ATOM 0 HA CYS A 7 12.357 -7.131 6.526 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.420 -8.554 5.906 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.552 -7.105 4.929 1.00 1.00 H new ATOM 100 N SER A 8 12.526 -9.491 7.348 1.00 1.00 N ATOM 101 CA SER A 8 12.940 -10.753 8.016 1.00 1.00 C ATOM 102 C SER A 8 11.640 -11.457 8.442 1.00 1.00 C ATOM 103 O SER A 8 11.619 -12.138 9.449 1.00 1.00 O ATOM 104 CB SER A 8 13.830 -10.384 9.227 1.00 1.00 C ATOM 105 OG SER A 8 14.283 -11.622 9.759 1.00 1.00 O ATOM 0 H SER A 8 11.874 -8.926 7.892 1.00 1.00 H new ATOM 0 HA SER A 8 13.518 -11.417 7.373 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.669 -9.758 8.921 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.266 -9.820 9.971 1.00 1.00 H new ATOM 0 HG SER A 8 13.515 -12.210 9.917 1.00 1.00 H new ATOM 111 N ALA A 9 10.622 -11.242 7.632 1.00 1.00 N ATOM 112 CA ALA A 9 9.227 -11.800 7.791 1.00 1.00 C ATOM 113 C ALA A 9 8.196 -10.667 7.771 1.00 1.00 C ATOM 114 O ALA A 9 8.535 -9.500 7.788 1.00 1.00 O ATOM 115 CB ALA A 9 9.023 -12.559 9.137 1.00 1.00 C ATOM 0 H ALA A 9 10.712 -10.655 6.802 1.00 1.00 H new ATOM 0 HA ALA A 9 9.094 -12.493 6.960 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.002 -12.936 9.191 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.721 -13.394 9.193 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.203 -11.879 9.969 1.00 1.00 H new ATOM 121 N SER A 10 6.951 -11.068 7.737 1.00 1.00 N ATOM 122 CA SER A 10 5.812 -10.102 7.711 1.00 1.00 C ATOM 123 C SER A 10 5.683 -9.388 9.060 1.00 1.00 C ATOM 124 O SER A 10 5.370 -8.216 9.118 1.00 1.00 O ATOM 125 CB SER A 10 4.521 -10.869 7.405 1.00 1.00 C ATOM 126 OG SER A 10 4.746 -11.420 6.114 1.00 1.00 O ATOM 0 H SER A 10 6.670 -12.049 7.726 1.00 1.00 H new ATOM 0 HA SER A 10 5.993 -9.352 6.941 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.335 -11.648 8.144 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.654 -10.209 7.412 1.00 1.00 H new ATOM 0 HG SER A 10 3.960 -11.935 5.837 1.00 1.00 H new ATOM 132 N SER A 11 5.919 -10.132 10.108 1.00 1.00 N ATOM 133 CA SER A 11 5.845 -9.608 11.486 1.00 1.00 C ATOM 134 C SER A 11 6.587 -8.288 11.692 1.00 1.00 C ATOM 135 O SER A 11 5.999 -7.311 12.115 1.00 1.00 O ATOM 136 CB SER A 11 6.380 -10.733 12.368 1.00 1.00 C ATOM 137 OG SER A 11 7.694 -11.002 11.896 1.00 1.00 O ATOM 0 H SER A 11 6.169 -11.119 10.053 1.00 1.00 H new ATOM 0 HA SER A 11 4.819 -9.344 11.742 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.394 -10.435 13.416 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.750 -11.619 12.297 1.00 1.00 H new ATOM 0 HG SER A 11 8.093 -11.721 12.430 1.00 1.00 H new ATOM 143 N GLN A 12 7.855 -8.308 11.380 1.00 1.00 N ATOM 144 CA GLN A 12 8.704 -7.092 11.530 1.00 1.00 C ATOM 145 C GLN A 12 8.367 -6.013 10.491 1.00 1.00 C ATOM 146 O GLN A 12 8.902 -4.924 10.553 1.00 1.00 O ATOM 147 CB GLN A 12 10.176 -7.548 11.432 1.00 1.00 C ATOM 148 CG GLN A 12 10.488 -8.186 10.072 1.00 1.00 C ATOM 149 CD GLN A 12 11.145 -7.151 9.148 1.00 1.00 C ATOM 150 OE1 GLN A 12 10.504 -6.282 8.592 1.00 1.00 O ATOM 151 NE2 GLN A 12 12.435 -7.212 8.963 1.00 1.00 N ATOM 0 H GLN A 12 8.345 -9.128 11.022 1.00 1.00 H new ATOM 0 HA GLN A 12 8.515 -6.623 12.496 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.832 -6.692 11.591 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.388 -8.264 12.226 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.151 -9.041 10.205 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.571 -8.562 9.618 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.983 -7.938 9.425 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.896 -6.534 8.356 1.00 1.00 H new ATOM 160 N CYS A 13 7.495 -6.339 9.566 1.00 1.00 N ATOM 161 CA CYS A 13 7.080 -5.384 8.511 1.00 1.00 C ATOM 162 C CYS A 13 5.787 -4.683 8.876 1.00 1.00 C ATOM 163 O CYS A 13 5.468 -3.685 8.271 1.00 1.00 O ATOM 164 CB CYS A 13 6.933 -6.165 7.243 1.00 1.00 C ATOM 165 SG CYS A 13 8.464 -6.618 6.392 1.00 1.00 S ATOM 0 H CYS A 13 7.047 -7.253 9.505 1.00 1.00 H new ATOM 0 HA CYS A 13 7.828 -4.600 8.394 1.00 1.00 H new ATOM 0 HB2 CYS A 13 6.384 -7.079 7.467 1.00 1.00 H new ATOM 0 HB3 CYS A 13 6.319 -5.585 6.554 1.00 1.00 H new ATOM 170 N TRP A 14 5.059 -5.205 9.825 1.00 1.00 N ATOM 171 CA TRP A 14 3.794 -4.548 10.230 1.00 1.00 C ATOM 172 C TRP A 14 4.093 -3.138 10.829 1.00 1.00 C ATOM 173 O TRP A 14 3.442 -2.191 10.435 1.00 1.00 O ATOM 174 CB TRP A 14 3.106 -5.443 11.251 1.00 1.00 C ATOM 175 CG TRP A 14 2.843 -6.848 10.698 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.689 -7.159 9.384 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.715 -7.972 11.435 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.474 -8.460 9.404 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.470 -9.048 10.588 1.00 1.00 C ATOM 180 CE3 TRP A 14 2.787 -8.176 12.814 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.296 -10.327 11.110 1.00 1.00 C ATOM 182 CZ3 TRP A 14 2.616 -9.456 13.337 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.369 -10.531 12.486 1.00 1.00 C ATOM 0 H TRP A 14 5.289 -6.058 10.335 1.00 1.00 H new ATOM 0 HA TRP A 14 3.140 -4.407 9.369 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.725 -5.515 12.145 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.162 -4.990 11.553 1.00 1.00 H new ATOM 0 HD1 TRP A 14 2.732 -6.500 8.530 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.318 -8.988 8.545 1.00 1.00 H new ATOM 0 HE3 TRP A 14 2.975 -7.343 13.475 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.105 -11.160 10.449 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.675 -9.615 14.404 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.234 -11.522 12.893 1.00 1.00 H new ATOM 194 N PRO A 15 5.040 -3.006 11.744 1.00 1.00 N ATOM 195 CA PRO A 15 5.558 -1.675 12.191 1.00 1.00 C ATOM 196 C PRO A 15 6.062 -0.792 11.030 1.00 1.00 C ATOM 197 O PRO A 15 5.921 0.406 11.074 1.00 1.00 O ATOM 198 CB PRO A 15 6.658 -2.014 13.211 1.00 1.00 C ATOM 199 CG PRO A 15 7.096 -3.423 12.780 1.00 1.00 C ATOM 200 CD PRO A 15 5.757 -4.097 12.469 1.00 1.00 C ATOM 0 HA PRO A 15 4.769 -1.065 12.631 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.483 -1.303 13.168 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.280 -2.002 14.233 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.751 -3.397 11.909 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.638 -3.941 13.571 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.879 -4.988 11.853 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.232 -4.404 13.373 1.00 1.00 H new ATOM 208 N VAL A 16 6.637 -1.417 10.029 1.00 1.00 N ATOM 209 CA VAL A 16 7.166 -0.663 8.841 1.00 1.00 C ATOM 210 C VAL A 16 5.956 -0.122 8.058 1.00 1.00 C ATOM 211 O VAL A 16 5.924 1.002 7.629 1.00 1.00 O ATOM 212 CB VAL A 16 8.006 -1.636 7.967 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.497 -0.928 6.690 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.234 -2.110 8.772 1.00 1.00 C ATOM 0 H VAL A 16 6.765 -2.428 9.982 1.00 1.00 H new ATOM 0 HA VAL A 16 7.805 0.167 9.141 1.00 1.00 H new ATOM 0 HB VAL A 16 7.380 -2.484 7.689 1.00 1.00 H new ATOM 0 HG11 VAL A 16 9.083 -1.624 6.090 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.639 -0.584 6.112 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.116 -0.074 6.963 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.827 -2.793 8.163 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.843 -1.249 9.048 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.902 -2.624 9.674 1.00 1.00 H new ATOM 224 N CYS A 17 4.994 -0.984 7.905 1.00 1.00 N ATOM 225 CA CYS A 17 3.718 -0.660 7.179 1.00 1.00 C ATOM 226 C CYS A 17 3.004 0.436 7.944 1.00 1.00 C ATOM 227 O CYS A 17 2.354 1.293 7.382 1.00 1.00 O ATOM 228 CB CYS A 17 2.883 -1.931 7.143 1.00 1.00 C ATOM 229 SG CYS A 17 1.287 -2.057 6.298 1.00 1.00 S ATOM 0 H CYS A 17 5.034 -1.938 8.264 1.00 1.00 H new ATOM 0 HA CYS A 17 3.899 -0.314 6.161 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.520 -2.704 6.712 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.703 -2.209 8.181 1.00 1.00 H new ATOM 234 N LYS A 18 3.164 0.344 9.232 1.00 1.00 N ATOM 235 CA LYS A 18 2.547 1.330 10.153 1.00 1.00 C ATOM 236 C LYS A 18 3.221 2.696 10.043 1.00 1.00 C ATOM 237 O LYS A 18 2.536 3.695 9.972 1.00 1.00 O ATOM 238 CB LYS A 18 2.643 0.708 11.560 1.00 1.00 C ATOM 239 CG LYS A 18 2.177 1.646 12.690 1.00 1.00 C ATOM 240 CD LYS A 18 3.322 2.582 13.132 1.00 1.00 C ATOM 241 CE LYS A 18 2.818 3.426 14.294 1.00 1.00 C ATOM 242 NZ LYS A 18 3.886 4.354 14.758 1.00 1.00 N ATOM 0 H LYS A 18 3.707 -0.387 9.692 1.00 1.00 H new ATOM 0 HA LYS A 18 1.504 1.527 9.904 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.044 -0.202 11.586 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.676 0.415 11.747 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.328 2.238 12.350 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.834 1.056 13.540 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.194 2.001 13.433 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.634 3.220 12.305 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.941 3.995 13.986 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.507 2.779 15.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.530 4.924 15.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.712 3.804 15.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.163 4.982 13.977 1.00 1.00 H new ATOM 256 N LYS A 19 4.527 2.736 10.030 1.00 1.00 N ATOM 257 CA LYS A 19 5.192 4.070 9.922 1.00 1.00 C ATOM 258 C LYS A 19 4.971 4.649 8.512 1.00 1.00 C ATOM 259 O LYS A 19 4.795 5.844 8.367 1.00 1.00 O ATOM 260 CB LYS A 19 6.716 3.921 10.225 1.00 1.00 C ATOM 261 CG LYS A 19 7.393 2.915 9.291 1.00 1.00 C ATOM 262 CD LYS A 19 8.917 2.826 9.549 1.00 1.00 C ATOM 263 CE LYS A 19 9.628 4.130 9.123 1.00 1.00 C ATOM 264 NZ LYS A 19 9.406 4.391 7.669 1.00 1.00 N ATOM 0 H LYS A 19 5.148 1.929 10.088 1.00 1.00 H new ATOM 0 HA LYS A 19 4.757 4.756 10.649 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.202 4.892 10.125 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.850 3.603 11.259 1.00 1.00 H new ATOM 0 HG2 LYS A 19 6.943 1.932 9.428 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.216 3.205 8.255 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.100 2.637 10.607 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.334 1.983 8.998 1.00 1.00 H new ATOM 0 HE2 LYS A 19 9.251 4.967 9.711 1.00 1.00 H new ATOM 0 HE3 LYS A 19 10.696 4.053 9.327 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.134 5.046 7.319 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.464 3.496 7.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.465 4.813 7.532 1.00 1.00 H new ATOM 278 N LEU A 20 4.987 3.797 7.515 1.00 1.00 N ATOM 279 CA LEU A 20 4.793 4.225 6.119 1.00 1.00 C ATOM 280 C LEU A 20 3.379 4.669 5.741 1.00 1.00 C ATOM 281 O LEU A 20 3.195 5.763 5.238 1.00 1.00 O ATOM 282 CB LEU A 20 5.227 3.063 5.237 1.00 1.00 C ATOM 283 CG LEU A 20 6.746 2.777 5.331 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.036 1.520 4.503 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.567 3.954 4.772 1.00 1.00 C ATOM 0 H LEU A 20 5.132 2.794 7.629 1.00 1.00 H new ATOM 0 HA LEU A 20 5.391 5.125 5.976 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.674 2.168 5.524 1.00 1.00 H new ATOM 0 HB3 LEU A 20 4.966 3.281 4.201 1.00 1.00 H new ATOM 0 HG LEU A 20 7.026 2.637 6.375 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.101 1.292 4.549 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.467 0.681 4.904 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.747 1.692 3.466 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.630 3.726 4.851 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.307 4.115 3.726 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.346 4.856 5.343 1.00 1.00 H new ATOM 297 N PHE A 21 2.423 3.814 5.990 1.00 1.00 N ATOM 298 CA PHE A 21 1.018 4.080 5.674 1.00 1.00 C ATOM 299 C PHE A 21 0.169 4.405 6.902 1.00 1.00 C ATOM 300 O PHE A 21 -0.616 5.327 6.886 1.00 1.00 O ATOM 301 CB PHE A 21 0.574 2.826 4.968 1.00 1.00 C ATOM 302 CG PHE A 21 1.520 2.526 3.786 1.00 1.00 C ATOM 303 CD1 PHE A 21 2.652 1.756 3.972 1.00 1.00 C ATOM 304 CD2 PHE A 21 1.262 3.049 2.536 1.00 1.00 C ATOM 305 CE1 PHE A 21 3.518 1.515 2.931 1.00 1.00 C ATOM 306 CE2 PHE A 21 2.128 2.808 1.494 1.00 1.00 C ATOM 307 CZ PHE A 21 3.254 2.043 1.693 1.00 1.00 C ATOM 0 H PHE A 21 2.584 2.903 6.420 1.00 1.00 H new ATOM 0 HA PHE A 21 0.897 4.973 5.061 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.571 1.988 5.665 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.448 2.944 4.607 1.00 1.00 H new ATOM 0 HD1 PHE A 21 2.859 1.338 4.946 1.00 1.00 H new ATOM 0 HD2 PHE A 21 0.379 3.649 2.375 1.00 1.00 H new ATOM 0 HE1 PHE A 21 4.401 0.913 3.088 1.00 1.00 H new ATOM 0 HE2 PHE A 21 1.923 3.221 0.517 1.00 1.00 H new ATOM 0 HZ PHE A 21 3.932 1.858 0.873 1.00 1.00 H new ATOM 317 N GLY A 22 0.377 3.624 7.926 1.00 1.00 N ATOM 318 CA GLY A 22 -0.359 3.787 9.213 1.00 1.00 C ATOM 319 C GLY A 22 -1.138 2.498 9.466 1.00 1.00 C ATOM 320 O GLY A 22 -2.085 2.490 10.229 1.00 1.00 O ATOM 0 H GLY A 22 1.048 2.856 7.924 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.336 3.981 10.030 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.036 4.640 9.162 1.00 1.00 H new ATOM 324 N THR A 23 -0.709 1.443 8.812 1.00 1.00 N ATOM 325 CA THR A 23 -1.346 0.118 8.940 1.00 1.00 C ATOM 326 C THR A 23 -0.387 -0.881 9.582 1.00 1.00 C ATOM 327 O THR A 23 0.799 -0.795 9.394 1.00 1.00 O ATOM 328 CB THR A 23 -1.716 -0.303 7.549 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.603 0.038 6.734 1.00 1.00 O ATOM 330 CG2 THR A 23 -2.916 0.447 6.973 1.00 1.00 C ATOM 0 H THR A 23 0.087 1.461 8.174 1.00 1.00 H new ATOM 0 HA THR A 23 -2.226 0.158 9.582 1.00 1.00 H new ATOM 0 HB THR A 23 -1.972 -1.362 7.573 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.414 -0.697 6.115 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.121 0.086 5.965 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.788 0.277 7.604 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.696 1.514 6.939 1.00 1.00 H new ATOM 338 N TYR A 24 -0.936 -1.814 10.314 1.00 1.00 N ATOM 339 CA TYR A 24 -0.084 -2.848 10.984 1.00 1.00 C ATOM 340 C TYR A 24 -0.423 -4.195 10.313 1.00 1.00 C ATOM 341 O TYR A 24 -0.280 -5.257 10.886 1.00 1.00 O ATOM 342 CB TYR A 24 -0.438 -2.820 12.495 1.00 1.00 C ATOM 343 CG TYR A 24 0.835 -2.970 13.329 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.356 -4.208 13.649 1.00 1.00 C ATOM 345 CD2 TYR A 24 1.494 -1.839 13.760 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.515 -4.305 14.390 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.652 -1.934 14.499 1.00 1.00 C ATOM 348 CZ TYR A 24 3.171 -3.168 14.818 1.00 1.00 C ATOM 349 OH TYR A 24 4.334 -3.270 15.556 1.00 1.00 O ATOM 0 H TYR A 24 -1.938 -1.907 10.479 1.00 1.00 H new ATOM 0 HA TYR A 24 0.988 -2.674 10.888 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.938 -1.884 12.743 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.134 -3.625 12.730 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.853 -5.105 13.317 1.00 1.00 H new ATOM 0 HD2 TYR A 24 1.097 -0.865 13.515 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.913 -5.278 14.638 1.00 1.00 H new ATOM 0 HE2 TYR A 24 3.155 -1.037 14.829 1.00 1.00 H new ATOM 0 HH TYR A 24 4.664 -2.373 15.773 1.00 1.00 H new ATOM 359 N ARG A 25 -0.866 -4.060 9.086 1.00 1.00 N ATOM 360 CA ARG A 25 -1.268 -5.166 8.205 1.00 1.00 C ATOM 361 C ARG A 25 -0.405 -5.126 6.931 1.00 1.00 C ATOM 362 O ARG A 25 -0.834 -4.645 5.902 1.00 1.00 O ATOM 363 CB ARG A 25 -2.735 -4.937 7.936 1.00 1.00 C ATOM 364 CG ARG A 25 -3.582 -5.364 9.151 1.00 1.00 C ATOM 365 CD ARG A 25 -5.064 -5.102 8.853 1.00 1.00 C ATOM 366 NE ARG A 25 -5.853 -5.505 10.054 1.00 1.00 N ATOM 367 CZ ARG A 25 -6.567 -4.618 10.693 1.00 1.00 C ATOM 368 NH1 ARG A 25 -5.969 -3.802 11.518 1.00 1.00 N ATOM 369 NH2 ARG A 25 -7.855 -4.578 10.486 1.00 1.00 N ATOM 0 H ARG A 25 -0.966 -3.147 8.643 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.121 -6.156 8.638 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.910 -3.884 7.716 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -3.041 -5.502 7.056 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.424 -6.421 9.366 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.274 -4.809 10.037 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.227 -4.048 8.626 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.383 -5.670 7.979 1.00 1.00 H new ATOM 0 HE ARG A 25 -5.834 -6.473 10.375 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -4.960 -3.864 11.655 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.511 -3.103 12.026 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -8.287 -5.233 9.834 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -8.429 -3.892 10.976 1.00 1.00 H new ATOM 383 N GLY A 26 0.791 -5.617 7.046 1.00 1.00 N ATOM 384 CA GLY A 26 1.740 -5.650 5.901 1.00 1.00 C ATOM 385 C GLY A 26 2.380 -7.037 5.852 1.00 1.00 C ATOM 386 O GLY A 26 2.110 -7.885 6.679 1.00 1.00 O ATOM 0 H GLY A 26 1.163 -6.009 7.911 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.218 -5.439 4.968 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.505 -4.882 6.019 1.00 1.00 H new ATOM 390 N LYS A 27 3.207 -7.226 4.865 1.00 1.00 N ATOM 391 CA LYS A 27 3.910 -8.541 4.712 1.00 1.00 C ATOM 392 C LYS A 27 5.326 -8.408 4.140 1.00 1.00 C ATOM 393 O LYS A 27 5.751 -7.334 3.765 1.00 1.00 O ATOM 394 CB LYS A 27 3.057 -9.461 3.813 1.00 1.00 C ATOM 395 CG LYS A 27 2.933 -8.901 2.393 1.00 1.00 C ATOM 396 CD LYS A 27 1.944 -9.751 1.576 1.00 1.00 C ATOM 397 CE LYS A 27 2.431 -11.210 1.432 1.00 1.00 C ATOM 398 NZ LYS A 27 1.521 -11.957 0.520 1.00 1.00 N ATOM 0 H LYS A 27 3.431 -6.530 4.154 1.00 1.00 H new ATOM 0 HA LYS A 27 4.024 -8.970 5.707 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.506 -10.453 3.776 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.064 -9.577 4.247 1.00 1.00 H new ATOM 0 HG2 LYS A 27 2.592 -7.866 2.430 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.909 -8.898 1.908 1.00 1.00 H new ATOM 0 HD2 LYS A 27 0.967 -9.739 2.060 1.00 1.00 H new ATOM 0 HD3 LYS A 27 1.815 -9.311 0.587 1.00 1.00 H new ATOM 0 HE2 LYS A 27 3.448 -11.227 1.040 1.00 1.00 H new ATOM 0 HE3 LYS A 27 2.458 -11.692 2.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 1.853 -12.938 0.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.557 -11.953 0.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 1.517 -11.502 -0.415 1.00 1.00 H new ATOM 412 N CYS A 28 6.007 -9.523 4.103 1.00 1.00 N ATOM 413 CA CYS A 28 7.403 -9.604 3.572 1.00 1.00 C ATOM 414 C CYS A 28 7.436 -10.369 2.242 1.00 1.00 C ATOM 415 O CYS A 28 7.076 -11.529 2.184 1.00 1.00 O ATOM 416 CB CYS A 28 8.227 -10.296 4.631 1.00 1.00 C ATOM 417 SG CYS A 28 9.940 -10.771 4.283 1.00 1.00 S ATOM 0 H CYS A 28 5.639 -10.416 4.432 1.00 1.00 H new ATOM 0 HA CYS A 28 7.805 -8.613 3.364 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.243 -9.645 5.505 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.692 -11.201 4.917 1.00 1.00 H new ATOM 422 N MET A 29 7.873 -9.680 1.216 1.00 1.00 N ATOM 423 CA MET A 29 7.970 -10.271 -0.149 1.00 1.00 C ATOM 424 C MET A 29 9.269 -9.776 -0.766 1.00 1.00 C ATOM 425 O MET A 29 9.652 -8.652 -0.526 1.00 1.00 O ATOM 426 CB MET A 29 6.788 -9.808 -1.023 1.00 1.00 C ATOM 427 CG MET A 29 5.473 -10.351 -0.457 1.00 1.00 C ATOM 428 SD MET A 29 3.952 -9.923 -1.344 1.00 1.00 S ATOM 429 CE MET A 29 3.894 -11.340 -2.470 1.00 1.00 C ATOM 0 H MET A 29 8.174 -8.707 1.273 1.00 1.00 H new ATOM 0 HA MET A 29 7.946 -11.359 -0.088 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.756 -8.719 -1.058 1.00 1.00 H new ATOM 0 HB3 MET A 29 6.924 -10.156 -2.047 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.546 -11.438 -0.416 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.376 -9.999 0.570 1.00 1.00 H new ATOM 0 HE1 MET A 29 3.015 -11.260 -3.110 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.793 -11.352 -3.087 1.00 1.00 H new ATOM 0 HE3 MET A 29 3.839 -12.262 -1.892 1.00 1.00 H new ATOM 439 N ASN A 30 9.888 -10.620 -1.548 1.00 1.00 N ATOM 440 CA ASN A 30 11.183 -10.296 -2.236 1.00 1.00 C ATOM 441 C ASN A 30 12.132 -9.625 -1.229 1.00 1.00 C ATOM 442 O ASN A 30 12.680 -8.562 -1.455 1.00 1.00 O ATOM 443 CB ASN A 30 10.890 -9.353 -3.432 1.00 1.00 C ATOM 444 CG ASN A 30 9.924 -10.030 -4.414 1.00 1.00 C ATOM 445 OD1 ASN A 30 8.788 -10.323 -4.091 1.00 1.00 O ATOM 446 ND2 ASN A 30 10.335 -10.297 -5.622 1.00 1.00 N ATOM 0 H ASN A 30 9.539 -11.557 -1.748 1.00 1.00 H new ATOM 0 HA ASN A 30 11.658 -11.203 -2.610 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.459 -8.419 -3.071 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.820 -9.099 -3.941 1.00 1.00 H new ATOM 0 HD21 ASN A 30 9.706 -10.748 -6.287 1.00 1.00 H new ATOM 0 HD22 ASN A 30 11.285 -10.055 -5.902 1.00 1.00 H new ATOM 453 N SER A 31 12.275 -10.327 -0.134 1.00 1.00 N ATOM 454 CA SER A 31 13.136 -9.905 1.007 1.00 1.00 C ATOM 455 C SER A 31 12.977 -8.417 1.380 1.00 1.00 C ATOM 456 O SER A 31 13.900 -7.813 1.888 1.00 1.00 O ATOM 457 CB SER A 31 14.607 -10.209 0.640 1.00 1.00 C ATOM 458 OG SER A 31 14.622 -11.611 0.413 1.00 1.00 O ATOM 0 H SER A 31 11.805 -11.219 0.019 1.00 1.00 H new ATOM 0 HA SER A 31 12.823 -10.466 1.887 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.919 -9.658 -0.247 1.00 1.00 H new ATOM 0 HB3 SER A 31 15.286 -9.928 1.445 1.00 1.00 H new ATOM 0 HG SER A 31 15.528 -11.893 0.170 1.00 1.00 H new ATOM 464 N LYS A 32 11.808 -7.876 1.120 1.00 1.00 N ATOM 465 CA LYS A 32 11.544 -6.435 1.450 1.00 1.00 C ATOM 466 C LYS A 32 10.154 -6.347 2.052 1.00 1.00 C ATOM 467 O LYS A 32 9.326 -7.199 1.788 1.00 1.00 O ATOM 468 CB LYS A 32 11.620 -5.542 0.178 1.00 1.00 C ATOM 469 CG LYS A 32 10.588 -5.958 -0.871 1.00 1.00 C ATOM 470 CD LYS A 32 10.525 -4.901 -1.980 1.00 1.00 C ATOM 471 CE LYS A 32 9.495 -5.353 -3.020 1.00 1.00 C ATOM 472 NZ LYS A 32 8.135 -5.446 -2.411 1.00 1.00 N ATOM 0 H LYS A 32 11.024 -8.370 0.693 1.00 1.00 H new ATOM 0 HA LYS A 32 12.299 -6.077 2.150 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.457 -4.500 0.455 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.620 -5.605 -0.251 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.854 -6.927 -1.293 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.608 -6.071 -0.407 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.246 -3.932 -1.565 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.504 -4.779 -2.444 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.479 -4.649 -3.852 1.00 1.00 H new ATOM 0 HE3 LYS A 32 9.783 -6.322 -3.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 7.416 -5.434 -3.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 8.056 -6.331 -1.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 7.984 -4.638 -1.774 1.00 1.00 H new ATOM 486 N CYS A 33 9.903 -5.338 2.843 1.00 1.00 N ATOM 487 CA CYS A 33 8.568 -5.225 3.445 1.00 1.00 C ATOM 488 C CYS A 33 7.489 -4.830 2.436 1.00 1.00 C ATOM 489 O CYS A 33 7.772 -4.419 1.326 1.00 1.00 O ATOM 490 CB CYS A 33 8.730 -4.232 4.565 1.00 1.00 C ATOM 491 SG CYS A 33 9.440 -4.872 6.099 1.00 1.00 S ATOM 0 H CYS A 33 10.564 -4.601 3.089 1.00 1.00 H new ATOM 0 HA CYS A 33 8.213 -6.186 3.817 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.359 -3.415 4.211 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.752 -3.807 4.791 1.00 1.00 H new ATOM 496 N ARG A 34 6.268 -4.990 2.863 1.00 1.00 N ATOM 497 CA ARG A 34 5.107 -4.648 2.021 1.00 1.00 C ATOM 498 C ARG A 34 3.996 -4.199 2.967 1.00 1.00 C ATOM 499 O ARG A 34 3.966 -4.582 4.121 1.00 1.00 O ATOM 500 CB ARG A 34 4.713 -5.887 1.253 1.00 1.00 C ATOM 501 CG ARG A 34 3.736 -5.536 0.165 1.00 1.00 C ATOM 502 CD ARG A 34 3.442 -6.789 -0.642 1.00 1.00 C ATOM 503 NE ARG A 34 2.361 -6.436 -1.595 1.00 1.00 N ATOM 504 CZ ARG A 34 2.554 -6.538 -2.881 1.00 1.00 C ATOM 505 NH1 ARG A 34 2.409 -7.704 -3.450 1.00 1.00 N ATOM 506 NH2 ARG A 34 2.887 -5.472 -3.552 1.00 1.00 N ATOM 0 H ARG A 34 6.029 -5.353 3.786 1.00 1.00 H new ATOM 0 HA ARG A 34 5.318 -3.853 1.306 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.599 -6.352 0.820 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.268 -6.617 1.930 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.817 -5.138 0.595 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.149 -4.759 -0.479 1.00 1.00 H new ATOM 0 HD2 ARG A 34 4.332 -7.125 -1.173 1.00 1.00 H new ATOM 0 HD3 ARG A 34 3.132 -7.606 0.010 1.00 1.00 H new ATOM 0 HE ARG A 34 1.461 -6.111 -1.242 1.00 1.00 H new ATOM 0 HH11 ARG A 34 2.149 -8.516 -2.890 1.00 1.00 H new ATOM 0 HH12 ARG A 34 2.556 -7.803 -4.455 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.992 -4.579 -3.071 1.00 1.00 H new ATOM 0 HH22 ARG A 34 3.042 -5.531 -4.558 1.00 1.00 H new ATOM 520 N CYS A 35 3.124 -3.398 2.429 1.00 1.00 N ATOM 521 CA CYS A 35 1.969 -2.872 3.216 1.00 1.00 C ATOM 522 C CYS A 35 0.733 -3.139 2.353 1.00 1.00 C ATOM 523 O CYS A 35 0.868 -3.514 1.204 1.00 1.00 O ATOM 524 CB CYS A 35 2.170 -1.358 3.477 1.00 1.00 C ATOM 525 SG CYS A 35 1.223 -0.656 4.847 1.00 1.00 S ATOM 0 H CYS A 35 3.160 -3.078 1.461 1.00 1.00 H new ATOM 0 HA CYS A 35 1.868 -3.348 4.191 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.229 -1.180 3.665 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.912 -0.816 2.568 1.00 1.00 H new ATOM 530 N TYR A 36 -0.427 -2.938 2.907 1.00 1.00 N ATOM 531 CA TYR A 36 -1.676 -3.184 2.121 1.00 1.00 C ATOM 532 C TYR A 36 -2.313 -1.830 1.803 1.00 1.00 C ATOM 533 O TYR A 36 -2.410 -1.444 0.654 1.00 1.00 O ATOM 534 CB TYR A 36 -2.613 -4.065 2.980 1.00 1.00 C ATOM 535 CG TYR A 36 -1.982 -5.430 3.374 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.835 -5.941 2.790 1.00 1.00 C ATOM 537 CD2 TYR A 36 -2.593 -6.174 4.367 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.317 -7.150 3.190 1.00 1.00 C ATOM 539 CE2 TYR A 36 -2.072 -7.388 4.766 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.928 -7.883 4.179 1.00 1.00 C ATOM 541 OH TYR A 36 -0.406 -9.096 4.580 1.00 1.00 O ATOM 0 H TYR A 36 -0.570 -2.616 3.864 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.474 -3.700 1.182 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.882 -3.522 3.886 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.537 -4.245 2.430 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -0.341 -5.382 2.009 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -3.491 -5.800 4.837 1.00 1.00 H new ATOM 0 HE1 TYR A 36 0.580 -7.528 2.722 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -2.564 -7.954 5.543 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.966 -9.475 5.290 1.00 1.00 H new ATOM 551 N SER A 37 -2.723 -1.156 2.845 1.00 1.00 N ATOM 552 CA SER A 37 -3.366 0.181 2.717 1.00 1.00 C ATOM 553 C SER A 37 -2.600 1.222 3.560 1.00 1.00 C ATOM 554 O SER A 37 -1.578 0.838 4.107 1.00 1.00 O ATOM 555 CB SER A 37 -4.847 0.049 3.177 1.00 1.00 C ATOM 556 OG SER A 37 -4.805 -0.534 4.469 1.00 1.00 O ATOM 557 OXT SER A 37 -3.065 2.349 3.614 1.00 1.00 O ATOM 0 H SER A 37 -2.635 -1.488 3.805 1.00 1.00 H new ATOM 0 HA SER A 37 -3.340 0.524 1.683 1.00 1.00 H new ATOM 0 HB2 SER A 37 -5.335 1.023 3.204 1.00 1.00 H new ATOM 0 HB3 SER A 37 -5.416 -0.573 2.486 1.00 1.00 H new ATOM 0 HG SER A 37 -5.718 -0.639 4.810 1.00 1.00 H new TER 563 SER A 37