USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0277 (180deg=-0.386) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0945 K(o=-0.094,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0595 X(o=-0.06,f=0) USER MOD Single : A 15 GLN : amide:sc= -5.66! C(o=-5.7!,f=-5.7!) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.157) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -150:sc= -2.03 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc=-0.00936 (180deg=-0.143) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.157 (180deg=-0.791) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.529 0.589 -1.390 1.00 0.00 N ATOM 2 CA GLU A 1 2.207 0.088 -1.031 1.00 0.00 C ATOM 3 C GLU A 1 1.827 -1.111 -1.895 1.00 0.00 C ATOM 4 O GLU A 1 1.054 -1.973 -1.475 1.00 0.00 O ATOM 5 CB GLU A 1 1.160 1.193 -1.184 1.00 0.00 C ATOM 6 CG GLU A 1 1.453 2.429 -0.351 1.00 0.00 C ATOM 7 CD GLU A 1 0.308 3.424 -0.359 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.663 3.202 -1.112 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.384 4.423 0.386 1.00 0.00 O ATOM 0 H1 GLU A 1 3.853 1.264 -0.668 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.198 -0.205 -1.446 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.481 1.066 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 1 2.238 -0.232 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.097 1.479 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.184 0.798 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.661 2.129 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.353 2.913 -0.731 1.00 0.00 H new ATOM 16 N CYS A 2 2.375 -1.159 -3.104 1.00 0.00 N ATOM 17 CA CYS A 2 2.094 -2.251 -4.029 1.00 0.00 C ATOM 18 C CYS A 2 2.850 -3.513 -3.625 1.00 0.00 C ATOM 19 O CYS A 2 4.059 -3.479 -3.389 1.00 0.00 O ATOM 20 CB CYS A 2 2.475 -1.849 -5.455 1.00 0.00 C ATOM 21 SG CYS A 2 2.110 -0.111 -5.861 1.00 0.00 S ATOM 0 H CYS A 2 3.017 -0.454 -3.467 1.00 0.00 H new ATOM 0 HA CYS A 2 1.025 -2.461 -3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.540 -2.028 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.945 -2.494 -6.156 1.00 0.00 H new ATOM 26 N LEU A 3 2.130 -4.627 -3.548 1.00 0.00 N ATOM 27 CA LEU A 3 2.732 -5.902 -3.173 1.00 0.00 C ATOM 28 C LEU A 3 2.780 -6.853 -4.365 1.00 0.00 C ATOM 29 O LEU A 3 1.853 -7.631 -4.588 1.00 0.00 O ATOM 30 CB LEU A 3 1.946 -6.542 -2.027 1.00 0.00 C ATOM 31 CG LEU A 3 1.039 -5.605 -1.230 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.139 -6.370 -0.647 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.826 -4.912 -0.127 1.00 0.00 C ATOM 0 H LEU A 3 1.129 -4.673 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 3 3.753 -5.711 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.334 -7.346 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.655 -7.001 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 3 0.652 -4.843 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.774 -5.686 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.717 -6.819 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.228 -7.154 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.164 -4.249 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.242 -5.660 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.635 -4.330 -0.568 1.00 0.00 H new ATOM 45 N GLU A 4 3.868 -6.785 -5.126 1.00 0.00 N ATOM 46 CA GLU A 4 4.036 -7.641 -6.295 1.00 0.00 C ATOM 47 C GLU A 4 4.801 -8.911 -5.933 1.00 0.00 C ATOM 48 O GLU A 4 4.753 -9.905 -6.658 1.00 0.00 O ATOM 49 CB GLU A 4 4.773 -6.888 -7.404 1.00 0.00 C ATOM 50 CG GLU A 4 6.257 -6.706 -7.135 1.00 0.00 C ATOM 51 CD GLU A 4 6.884 -5.644 -8.017 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.782 -5.764 -9.255 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.477 -4.692 -7.468 1.00 0.00 O ATOM 0 H GLU A 4 4.645 -6.147 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 4 3.046 -7.923 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.646 -7.426 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.313 -5.908 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.402 -6.436 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.770 -7.654 -7.294 1.00 0.00 H new ATOM 60 N ILE A 5 5.506 -8.870 -4.807 1.00 0.00 N ATOM 61 CA ILE A 5 6.280 -10.017 -4.349 1.00 0.00 C ATOM 62 C ILE A 5 5.376 -11.081 -3.736 1.00 0.00 C ATOM 63 O ILE A 5 5.774 -12.236 -3.582 1.00 0.00 O ATOM 64 CB ILE A 5 7.341 -9.602 -3.312 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.132 -10.824 -2.842 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.683 -8.904 -2.131 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.720 -11.635 -3.975 1.00 0.00 C ATOM 0 H ILE A 5 5.557 -8.055 -4.196 1.00 0.00 H new ATOM 0 HA ILE A 5 6.781 -10.430 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 5 8.033 -8.904 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.937 -10.495 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.478 -11.464 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.446 -8.617 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.160 -8.013 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.971 -9.581 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.267 -12.485 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.918 -11.994 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.399 -11.011 -4.555 1.00 0.00 H new ATOM 79 N PHE A 6 4.155 -10.684 -3.389 1.00 0.00 N ATOM 80 CA PHE A 6 3.193 -11.604 -2.794 1.00 0.00 C ATOM 81 C PHE A 6 3.000 -11.305 -1.310 1.00 0.00 C ATOM 82 O PHE A 6 2.699 -12.198 -0.518 1.00 0.00 O ATOM 83 CB PHE A 6 3.657 -13.051 -2.978 1.00 0.00 C ATOM 84 CG PHE A 6 4.479 -13.567 -1.831 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.352 -12.729 -1.155 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.379 -14.889 -1.430 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.110 -13.201 -0.101 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.135 -15.367 -0.375 1.00 0.00 C ATOM 89 CZ PHE A 6 6.001 -14.521 0.290 1.00 0.00 C ATOM 0 H PHE A 6 3.809 -9.732 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 6 2.238 -11.469 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.784 -13.691 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.242 -13.123 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.441 -11.695 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.703 -15.554 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.787 -12.538 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.048 -16.400 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.592 -14.891 1.115 1.00 0.00 H new ATOM 99 N LYS A 7 3.177 -10.041 -0.940 1.00 0.00 N ATOM 100 CA LYS A 7 3.023 -9.620 0.447 1.00 0.00 C ATOM 101 C LYS A 7 1.551 -9.597 0.848 1.00 0.00 C ATOM 102 O LYS A 7 0.686 -9.239 0.049 1.00 0.00 O ATOM 103 CB LYS A 7 3.641 -8.236 0.654 1.00 0.00 C ATOM 104 CG LYS A 7 4.391 -8.094 1.967 1.00 0.00 C ATOM 105 CD LYS A 7 5.819 -8.602 1.850 1.00 0.00 C ATOM 106 CE LYS A 7 6.598 -8.373 3.136 1.00 0.00 C ATOM 107 NZ LYS A 7 7.907 -9.084 3.126 1.00 0.00 N ATOM 0 H LYS A 7 3.428 -9.290 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 7 3.543 -10.340 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.324 -8.026 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.852 -7.485 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.400 -7.047 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.869 -8.648 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.810 -9.666 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.320 -8.096 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.766 -7.305 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.006 -8.714 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.407 -8.903 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.746 -10.106 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.483 -8.740 2.331 1.00 0.00 H new ATOM 121 N ALA A 8 1.275 -9.979 2.091 1.00 0.00 N ATOM 122 CA ALA A 8 -0.091 -9.998 2.598 1.00 0.00 C ATOM 123 C ALA A 8 -0.814 -8.694 2.278 1.00 0.00 C ATOM 124 O ALA A 8 -0.457 -7.633 2.790 1.00 0.00 O ATOM 125 CB ALA A 8 -0.094 -10.251 4.098 1.00 0.00 C ATOM 0 H ALA A 8 1.979 -10.279 2.765 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.624 -10.809 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.121 -10.263 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.376 -11.212 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.461 -9.460 4.602 1.00 0.00 H new ATOM 131 N CYS A 9 -1.832 -8.781 1.428 1.00 0.00 N ATOM 132 CA CYS A 9 -2.605 -7.608 1.038 1.00 0.00 C ATOM 133 C CYS A 9 -3.759 -7.370 2.007 1.00 0.00 C ATOM 134 O CYS A 9 -4.294 -8.310 2.593 1.00 0.00 O ATOM 135 CB CYS A 9 -3.144 -7.776 -0.384 1.00 0.00 C ATOM 136 SG CYS A 9 -4.954 -7.959 -0.476 1.00 0.00 S ATOM 0 H CYS A 9 -2.141 -9.652 0.996 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.944 -6.742 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.846 -6.912 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.678 -8.651 -0.837 1.00 0.00 H new ATOM 141 N ASN A 10 -4.138 -6.107 2.169 1.00 0.00 N ATOM 142 CA ASN A 10 -5.229 -5.745 3.067 1.00 0.00 C ATOM 143 C ASN A 10 -6.558 -5.702 2.319 1.00 0.00 C ATOM 144 O ASN A 10 -6.617 -5.411 1.124 1.00 0.00 O ATOM 145 CB ASN A 10 -4.953 -4.388 3.718 1.00 0.00 C ATOM 146 CG ASN A 10 -4.261 -4.521 5.061 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.607 -5.384 5.868 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.276 -3.665 5.306 1.00 0.00 N ATOM 0 H ASN A 10 -3.706 -5.317 1.690 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.294 -6.507 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.334 -3.787 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.893 -3.853 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.773 -3.707 6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.023 -2.966 4.608 1.00 0.00 H new ATOM 155 N PRO A 11 -7.651 -5.998 3.037 1.00 0.00 N ATOM 156 CA PRO A 11 -9.000 -5.999 2.462 1.00 0.00 C ATOM 157 C PRO A 11 -9.485 -4.595 2.120 1.00 0.00 C ATOM 158 O PRO A 11 -10.080 -4.373 1.066 1.00 0.00 O ATOM 159 CB PRO A 11 -9.859 -6.606 3.574 1.00 0.00 C ATOM 160 CG PRO A 11 -9.113 -6.315 4.831 1.00 0.00 C ATOM 161 CD PRO A 11 -7.655 -6.355 4.466 1.00 0.00 C ATOM 0 HA PRO A 11 -9.043 -6.551 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.854 -6.162 3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.991 -7.679 3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.388 -5.339 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.343 -7.052 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.073 -5.649 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.225 -7.342 4.635 1.00 0.00 H new ATOM 169 N SER A 12 -9.226 -3.649 3.018 1.00 0.00 N ATOM 170 CA SER A 12 -9.640 -2.266 2.813 1.00 0.00 C ATOM 171 C SER A 12 -8.459 -1.405 2.375 1.00 0.00 C ATOM 172 O SER A 12 -8.555 -0.643 1.414 1.00 0.00 O ATOM 173 CB SER A 12 -10.251 -1.699 4.095 1.00 0.00 C ATOM 174 OG SER A 12 -11.630 -2.014 4.186 1.00 0.00 O ATOM 0 H SER A 12 -8.731 -3.816 3.894 1.00 0.00 H new ATOM 0 HA SER A 12 -10.391 -2.251 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.725 -2.101 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.120 -0.617 4.116 1.00 0.00 H new ATOM 0 HG SER A 12 -11.997 -1.642 5.015 1.00 0.00 H new ATOM 180 N ASN A 13 -7.345 -1.533 3.087 1.00 0.00 N ATOM 181 CA ASN A 13 -6.144 -0.767 2.774 1.00 0.00 C ATOM 182 C ASN A 13 -5.570 -1.184 1.423 1.00 0.00 C ATOM 183 O ASN A 13 -4.749 -2.098 1.342 1.00 0.00 O ATOM 184 CB ASN A 13 -5.092 -0.957 3.868 1.00 0.00 C ATOM 185 CG ASN A 13 -5.087 0.183 4.869 1.00 0.00 C ATOM 186 OD1 ASN A 13 -5.365 -0.014 6.052 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.770 1.383 4.397 1.00 0.00 N ATOM 0 H ASN A 13 -7.248 -2.160 3.885 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.419 0.287 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.280 -1.895 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.106 -1.039 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.750 2.188 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.547 1.500 3.409 1.00 0.00 H new ATOM 194 N ASP A 14 -6.007 -0.509 0.366 1.00 0.00 N ATOM 195 CA ASP A 14 -5.536 -0.808 -0.981 1.00 0.00 C ATOM 196 C ASP A 14 -4.012 -0.768 -1.045 1.00 0.00 C ATOM 197 O ASP A 14 -3.409 0.304 -1.027 1.00 0.00 O ATOM 198 CB ASP A 14 -6.127 0.186 -1.983 1.00 0.00 C ATOM 199 CG ASP A 14 -7.643 0.170 -1.989 1.00 0.00 C ATOM 200 OD1 ASP A 14 -8.244 0.671 -1.016 1.00 0.00 O ATOM 201 OD2 ASP A 14 -8.227 -0.343 -2.966 1.00 0.00 O ATOM 0 H ASP A 14 -6.687 0.249 0.416 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.867 -1.814 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.778 1.190 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.760 -0.048 -2.982 1.00 0.00 H new ATOM 206 N GLN A 15 -3.398 -1.944 -1.119 1.00 0.00 N ATOM 207 CA GLN A 15 -1.945 -2.044 -1.183 1.00 0.00 C ATOM 208 C GLN A 15 -1.474 -2.211 -2.624 1.00 0.00 C ATOM 209 O GLN A 15 -0.792 -1.343 -3.170 1.00 0.00 O ATOM 210 CB GLN A 15 -1.454 -3.218 -0.335 1.00 0.00 C ATOM 211 CG GLN A 15 -1.440 -2.927 1.157 1.00 0.00 C ATOM 212 CD GLN A 15 -0.437 -3.781 1.909 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.722 -3.399 2.071 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.880 -4.944 2.372 1.00 0.00 N ATOM 0 H GLN A 15 -3.884 -2.841 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.526 -1.119 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.091 -4.082 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.447 -3.489 -0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.206 -1.874 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.436 -3.098 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.849 -5.220 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.251 -5.561 2.886 1.00 0.00 H new ATOM 223 N CYS A 16 -1.841 -3.332 -3.235 1.00 0.00 N ATOM 224 CA CYS A 16 -1.457 -3.614 -4.613 1.00 0.00 C ATOM 225 C CYS A 16 -1.556 -2.358 -5.474 1.00 0.00 C ATOM 226 O CYS A 16 -2.379 -1.479 -5.216 1.00 0.00 O ATOM 227 CB CYS A 16 -2.342 -4.717 -5.197 1.00 0.00 C ATOM 228 SG CYS A 16 -2.782 -6.024 -4.007 1.00 0.00 S ATOM 0 H CYS A 16 -2.404 -4.061 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.421 -3.952 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.257 -4.268 -5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.828 -5.170 -6.045 1.00 0.00 H new ATOM 233 N CYS A 17 -0.712 -2.280 -6.497 1.00 0.00 N ATOM 234 CA CYS A 17 -0.703 -1.133 -7.397 1.00 0.00 C ATOM 235 C CYS A 17 -1.964 -1.105 -8.255 1.00 0.00 C ATOM 236 O CYS A 17 -2.871 -1.919 -8.074 1.00 0.00 O ATOM 237 CB CYS A 17 0.536 -1.171 -8.293 1.00 0.00 C ATOM 238 SG CYS A 17 1.824 0.033 -7.833 1.00 0.00 S ATOM 0 H CYS A 17 -0.024 -2.999 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.677 -0.227 -6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.963 -2.173 -8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.232 -0.986 -9.323 1.00 0.00 H new ATOM 243 N LYS A 18 -2.016 -0.162 -9.190 1.00 0.00 N ATOM 244 CA LYS A 18 -3.164 -0.027 -10.078 1.00 0.00 C ATOM 245 C LYS A 18 -2.906 -0.722 -11.411 1.00 0.00 C ATOM 246 O LYS A 18 -3.433 -1.804 -11.670 1.00 0.00 O ATOM 247 CB LYS A 18 -3.481 1.451 -10.314 1.00 0.00 C ATOM 248 CG LYS A 18 -3.653 2.249 -9.033 1.00 0.00 C ATOM 249 CD LYS A 18 -4.515 1.507 -8.026 1.00 0.00 C ATOM 250 CE LYS A 18 -5.881 1.169 -8.603 1.00 0.00 C ATOM 251 NZ LYS A 18 -6.610 2.387 -9.053 1.00 0.00 N ATOM 0 H LYS A 18 -1.275 0.520 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.020 -0.504 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.680 1.896 -10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.393 1.528 -10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.675 2.453 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.107 3.213 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.011 0.590 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.638 2.117 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.761 0.486 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.474 0.648 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.594 2.138 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.599 3.098 -8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.147 2.776 -9.899 1.00 0.00 H new ATOM 265 N SER A 19 -2.091 -0.094 -12.253 1.00 0.00 N ATOM 266 CA SER A 19 -1.765 -0.651 -13.560 1.00 0.00 C ATOM 267 C SER A 19 -1.067 -2.001 -13.417 1.00 0.00 C ATOM 268 O SER A 19 -1.031 -2.796 -14.356 1.00 0.00 O ATOM 269 CB SER A 19 -0.873 0.316 -14.342 1.00 0.00 C ATOM 270 OG SER A 19 -0.640 -0.156 -15.657 1.00 0.00 O ATOM 0 H SER A 19 -1.645 0.801 -12.053 1.00 0.00 H new ATOM 0 HA SER A 19 -2.696 -0.799 -14.107 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.344 1.298 -14.383 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.077 0.440 -13.823 1.00 0.00 H new ATOM 0 HG SER A 19 -0.069 0.480 -16.136 1.00 0.00 H new ATOM 276 N SER A 20 -0.515 -2.252 -12.234 1.00 0.00 N ATOM 277 CA SER A 20 0.184 -3.503 -11.967 1.00 0.00 C ATOM 278 C SER A 20 -0.776 -4.686 -12.028 1.00 0.00 C ATOM 279 O SER A 20 -1.967 -4.551 -11.744 1.00 0.00 O ATOM 280 CB SER A 20 0.861 -3.451 -10.596 1.00 0.00 C ATOM 281 OG SER A 20 1.691 -2.308 -10.480 1.00 0.00 O ATOM 0 H SER A 20 -0.539 -1.605 -11.445 1.00 0.00 H new ATOM 0 HA SER A 20 0.945 -3.636 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.103 -3.435 -9.813 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.455 -4.352 -10.446 1.00 0.00 H new ATOM 0 HG SER A 20 2.437 -2.505 -9.876 1.00 0.00 H new ATOM 287 N LYS A 21 -0.251 -5.848 -12.401 1.00 0.00 N ATOM 288 CA LYS A 21 -1.059 -7.058 -12.499 1.00 0.00 C ATOM 289 C LYS A 21 -1.158 -7.757 -11.147 1.00 0.00 C ATOM 290 O LYS A 21 -2.060 -8.564 -10.918 1.00 0.00 O ATOM 291 CB LYS A 21 -0.462 -8.012 -13.536 1.00 0.00 C ATOM 292 CG LYS A 21 -0.434 -7.440 -14.943 1.00 0.00 C ATOM 293 CD LYS A 21 0.609 -8.132 -15.805 1.00 0.00 C ATOM 294 CE LYS A 21 0.207 -9.565 -16.122 1.00 0.00 C ATOM 295 NZ LYS A 21 0.907 -10.082 -17.331 1.00 0.00 N ATOM 0 H LYS A 21 0.732 -5.978 -12.641 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.062 -6.771 -12.814 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.554 -8.270 -13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.038 -8.937 -13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.417 -7.550 -15.401 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.220 -6.372 -14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.743 -7.576 -16.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.570 -8.128 -15.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.436 -10.204 -15.269 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.871 -9.614 -16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.607 -11.061 -17.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.669 -9.488 -18.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.935 -10.059 -17.173 1.00 0.00 H new ATOM 309 N LEU A 22 -0.226 -7.442 -10.254 1.00 0.00 N ATOM 310 CA LEU A 22 -0.209 -8.039 -8.923 1.00 0.00 C ATOM 311 C LEU A 22 -1.624 -8.175 -8.369 1.00 0.00 C ATOM 312 O LEU A 22 -2.243 -7.189 -7.968 1.00 0.00 O ATOM 313 CB LEU A 22 0.643 -7.195 -7.974 1.00 0.00 C ATOM 314 CG LEU A 22 1.208 -5.898 -8.554 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.473 -4.889 -7.448 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.480 -6.175 -9.341 1.00 0.00 C ATOM 0 H LEU A 22 0.528 -6.777 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 22 0.227 -9.035 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.040 -6.947 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.475 -7.806 -7.624 1.00 0.00 H new ATOM 0 HG LEU A 22 0.469 -5.475 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.875 -3.973 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.541 -4.667 -6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.193 -5.303 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.868 -5.240 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.225 -6.622 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.260 -6.861 -10.159 1.00 0.00 H new ATOM 328 N VAL A 23 -2.130 -9.404 -8.348 1.00 0.00 N ATOM 329 CA VAL A 23 -3.471 -9.670 -7.840 1.00 0.00 C ATOM 330 C VAL A 23 -3.420 -10.238 -6.426 1.00 0.00 C ATOM 331 O VAL A 23 -2.495 -10.969 -6.071 1.00 0.00 O ATOM 332 CB VAL A 23 -4.231 -10.654 -8.749 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.488 -11.978 -8.843 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.649 -10.864 -8.239 1.00 0.00 C ATOM 0 H VAL A 23 -1.632 -10.231 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.999 -8.717 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.289 -10.226 -9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.040 -12.660 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.495 -11.809 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.396 -12.415 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.171 -11.562 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.616 -11.270 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.177 -9.911 -8.230 1.00 0.00 H new ATOM 344 N CYS A 24 -4.422 -9.898 -5.621 1.00 0.00 N ATOM 345 CA CYS A 24 -4.493 -10.374 -4.245 1.00 0.00 C ATOM 346 C CYS A 24 -5.770 -11.176 -4.012 1.00 0.00 C ATOM 347 O CYS A 24 -5.801 -12.084 -3.181 1.00 0.00 O ATOM 348 CB CYS A 24 -4.434 -9.194 -3.272 1.00 0.00 C ATOM 349 SG CYS A 24 -5.381 -9.448 -1.737 1.00 0.00 S ATOM 0 H CYS A 24 -5.196 -9.294 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.638 -11.026 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.392 -9.000 -3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.810 -8.303 -3.775 1.00 0.00 H new ATOM 354 N SER A 25 -6.820 -10.834 -4.751 1.00 0.00 N ATOM 355 CA SER A 25 -8.100 -11.520 -4.623 1.00 0.00 C ATOM 356 C SER A 25 -8.030 -12.920 -5.226 1.00 0.00 C ATOM 357 O SER A 25 -8.320 -13.911 -4.556 1.00 0.00 O ATOM 358 CB SER A 25 -9.206 -10.713 -5.307 1.00 0.00 C ATOM 359 OG SER A 25 -10.488 -11.158 -4.901 1.00 0.00 O ATOM 0 H SER A 25 -6.810 -10.086 -5.445 1.00 0.00 H new ATOM 0 HA SER A 25 -8.330 -11.612 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.091 -9.656 -5.066 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.112 -10.805 -6.389 1.00 0.00 H new ATOM 0 HG SER A 25 -11.177 -10.625 -5.351 1.00 0.00 H new ATOM 365 N ARG A 26 -7.642 -12.992 -6.495 1.00 0.00 N ATOM 366 CA ARG A 26 -7.534 -14.269 -7.190 1.00 0.00 C ATOM 367 C ARG A 26 -6.833 -15.305 -6.316 1.00 0.00 C ATOM 368 O ARG A 26 -7.379 -16.374 -6.041 1.00 0.00 O ATOM 369 CB ARG A 26 -6.773 -14.096 -8.505 1.00 0.00 C ATOM 370 CG ARG A 26 -7.621 -13.524 -9.629 1.00 0.00 C ATOM 371 CD ARG A 26 -6.903 -13.607 -10.967 1.00 0.00 C ATOM 372 NE ARG A 26 -7.827 -13.496 -12.092 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.544 -13.918 -13.320 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.370 -14.477 -13.578 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.438 -13.782 -14.292 1.00 0.00 N ATOM 0 H ARG A 26 -7.397 -12.181 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.542 -14.623 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.918 -13.441 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.377 -15.063 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.564 -14.067 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.865 -12.484 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.159 -12.813 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.365 -14.553 -11.032 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.740 -13.071 -11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.681 -14.584 -12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.155 -14.800 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.343 -13.353 -14.097 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.220 -14.106 -15.234 1.00 0.00 H new ATOM 389 N LYS A 27 -5.618 -14.983 -5.884 1.00 0.00 N ATOM 390 CA LYS A 27 -4.841 -15.884 -5.041 1.00 0.00 C ATOM 391 C LYS A 27 -5.026 -15.543 -3.566 1.00 0.00 C ATOM 392 O LYS A 27 -5.908 -14.764 -3.203 1.00 0.00 O ATOM 393 CB LYS A 27 -3.358 -15.809 -5.411 1.00 0.00 C ATOM 394 CG LYS A 27 -3.098 -15.912 -6.904 1.00 0.00 C ATOM 395 CD LYS A 27 -3.410 -17.303 -7.430 1.00 0.00 C ATOM 396 CE LYS A 27 -2.886 -17.495 -8.845 1.00 0.00 C ATOM 397 NZ LYS A 27 -1.400 -17.588 -8.878 1.00 0.00 N ATOM 0 H LYS A 27 -5.150 -14.104 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.200 -16.899 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.947 -14.869 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.824 -16.611 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.707 -15.178 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.056 -15.669 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.966 -18.050 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.488 -17.465 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.316 -18.401 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.212 -16.663 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.095 -17.950 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.990 -16.645 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.076 -18.234 -8.130 1.00 0.00 H new ATOM 411 N THR A 28 -4.186 -16.130 -2.718 1.00 0.00 N ATOM 412 CA THR A 28 -4.256 -15.889 -1.283 1.00 0.00 C ATOM 413 C THR A 28 -4.237 -14.396 -0.975 1.00 0.00 C ATOM 414 O THR A 28 -4.067 -13.570 -1.871 1.00 0.00 O ATOM 415 CB THR A 28 -3.091 -16.570 -0.541 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.550 -17.626 -1.342 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.552 -17.127 0.797 1.00 0.00 C ATOM 0 H THR A 28 -3.449 -16.776 -3.001 1.00 0.00 H new ATOM 0 HA THR A 28 -5.197 -16.317 -0.936 1.00 0.00 H new ATOM 0 HB THR A 28 -2.320 -15.822 -0.358 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.809 -18.053 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.711 -17.603 1.302 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.935 -16.316 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.340 -17.862 0.633 1.00 0.00 H new ATOM 425 N ARG A 29 -4.411 -14.057 0.299 1.00 0.00 N ATOM 426 CA ARG A 29 -4.414 -12.663 0.724 1.00 0.00 C ATOM 427 C ARG A 29 -3.192 -11.927 0.184 1.00 0.00 C ATOM 428 O ARG A 29 -3.197 -10.702 0.058 1.00 0.00 O ATOM 429 CB ARG A 29 -4.443 -12.573 2.251 1.00 0.00 C ATOM 430 CG ARG A 29 -3.290 -13.299 2.925 1.00 0.00 C ATOM 431 CD ARG A 29 -3.756 -14.062 4.156 1.00 0.00 C ATOM 432 NE ARG A 29 -2.738 -14.085 5.203 1.00 0.00 N ATOM 433 CZ ARG A 29 -2.982 -14.448 6.457 1.00 0.00 C ATOM 434 NH1 ARG A 29 -4.203 -14.815 6.819 1.00 0.00 N ATOM 435 NH2 ARG A 29 -2.002 -14.443 7.353 1.00 0.00 N ATOM 0 H ARG A 29 -4.552 -14.729 1.054 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.309 -12.189 0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.422 -11.524 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.384 -12.987 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.831 -13.991 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.522 -12.580 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.665 -13.603 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.010 -15.084 3.875 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.788 -13.807 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.958 -14.819 6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.387 -15.093 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.061 -14.160 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.190 -14.722 8.316 1.00 0.00 H new ATOM 449 N ALA A 30 -2.145 -12.682 -0.133 1.00 0.00 N ATOM 450 CA ALA A 30 -0.917 -12.102 -0.661 1.00 0.00 C ATOM 451 C ALA A 30 -1.116 -11.598 -2.086 1.00 0.00 C ATOM 452 O ALA A 30 -1.770 -12.249 -2.901 1.00 0.00 O ATOM 453 CB ALA A 30 0.212 -13.121 -0.612 1.00 0.00 C ATOM 0 H ALA A 30 -2.123 -13.697 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.650 -11.250 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.123 -12.674 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.379 -13.429 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.057 -13.991 -1.211 1.00 0.00 H new ATOM 459 N CYS A 31 -0.548 -10.433 -2.382 1.00 0.00 N ATOM 460 CA CYS A 31 -0.664 -9.840 -3.709 1.00 0.00 C ATOM 461 C CYS A 31 0.598 -10.092 -4.529 1.00 0.00 C ATOM 462 O CYS A 31 1.690 -9.659 -4.159 1.00 0.00 O ATOM 463 CB CYS A 31 -0.921 -8.336 -3.598 1.00 0.00 C ATOM 464 SG CYS A 31 -2.059 -7.681 -4.860 1.00 0.00 S ATOM 0 H CYS A 31 -0.003 -9.881 -1.720 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.507 -10.309 -4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.328 -8.120 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.030 -7.809 -3.673 1.00 0.00 H new ATOM 469 N LYS A 32 0.441 -10.796 -5.645 1.00 0.00 N ATOM 470 CA LYS A 32 1.565 -11.106 -6.520 1.00 0.00 C ATOM 471 C LYS A 32 1.129 -11.122 -7.982 1.00 0.00 C ATOM 472 O LYS A 32 -0.019 -11.440 -8.293 1.00 0.00 O ATOM 473 CB LYS A 32 2.174 -12.458 -6.143 1.00 0.00 C ATOM 474 CG LYS A 32 1.384 -13.647 -6.662 1.00 0.00 C ATOM 475 CD LYS A 32 1.189 -14.700 -5.584 1.00 0.00 C ATOM 476 CE LYS A 32 2.235 -15.800 -5.684 1.00 0.00 C ATOM 477 NZ LYS A 32 2.162 -16.518 -6.986 1.00 0.00 N ATOM 0 H LYS A 32 -0.455 -11.163 -5.965 1.00 0.00 H new ATOM 0 HA LYS A 32 2.317 -10.328 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.191 -12.510 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.244 -12.525 -5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.412 -13.310 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.904 -14.088 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.245 -14.231 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.193 -15.134 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.229 -15.368 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.094 -16.510 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.489 -17.497 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.179 -16.522 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.767 -16.037 -7.682 1.00 0.00 H new ATOM 491 N TYR A 33 2.052 -10.780 -8.873 1.00 0.00 N ATOM 492 CA TYR A 33 1.762 -10.755 -10.302 1.00 0.00 C ATOM 493 C TYR A 33 1.346 -12.136 -10.798 1.00 0.00 C ATOM 494 O TYR A 33 1.978 -13.140 -10.471 1.00 0.00 O ATOM 495 CB TYR A 33 2.983 -10.266 -11.083 1.00 0.00 C ATOM 496 CG TYR A 33 4.117 -11.266 -11.121 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.082 -11.290 -10.122 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.223 -12.187 -12.157 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.120 -12.201 -10.154 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.256 -13.102 -12.195 1.00 0.00 C ATOM 501 CZ TYR A 33 6.203 -13.105 -11.192 1.00 0.00 C ATOM 502 OH TYR A 33 7.235 -14.015 -11.226 1.00 0.00 O ATOM 0 H TYR A 33 3.007 -10.516 -8.632 1.00 0.00 H new ATOM 0 HA TYR A 33 0.934 -10.066 -10.467 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.681 -10.032 -12.104 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.342 -9.339 -10.637 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.020 -10.585 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.485 -12.187 -12.945 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.863 -12.205 -9.370 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.322 -13.812 -13.006 1.00 0.00 H new ATOM 0 HH TYR A 33 7.147 -14.580 -12.022 1.00 0.00 H new ATOM 512 N GLN A 34 0.280 -12.177 -11.590 1.00 0.00 N ATOM 513 CA GLN A 34 -0.221 -13.435 -12.132 1.00 0.00 C ATOM 514 C GLN A 34 0.877 -14.179 -12.885 1.00 0.00 C ATOM 515 O GLN A 34 1.425 -13.671 -13.863 1.00 0.00 O ATOM 516 CB GLN A 34 -1.408 -13.178 -13.061 1.00 0.00 C ATOM 517 CG GLN A 34 -2.605 -12.553 -12.361 1.00 0.00 C ATOM 518 CD GLN A 34 -3.643 -12.031 -13.334 1.00 0.00 C ATOM 519 OE1 GLN A 34 -4.110 -10.898 -13.213 1.00 0.00 O ATOM 520 NE2 GLN A 34 -4.011 -12.856 -14.307 1.00 0.00 N ATOM 0 H GLN A 34 -0.254 -11.354 -11.871 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.549 -14.055 -11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.089 -12.523 -13.872 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.714 -14.121 -13.515 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.066 -13.293 -11.707 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.264 -11.735 -11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.598 -13.787 -14.370 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.706 -12.559 -14.992 1.00 0.00 H new ATOM 529 N ILE A 35 1.193 -15.384 -12.422 1.00 0.00 N ATOM 530 CA ILE A 35 2.225 -16.197 -13.052 1.00 0.00 C ATOM 531 C ILE A 35 1.713 -16.835 -14.339 1.00 0.00 C ATOM 532 O ILE A 35 2.432 -16.911 -15.336 1.00 0.00 O ATOM 533 CB ILE A 35 2.724 -17.306 -12.107 1.00 0.00 C ATOM 534 CG1 ILE A 35 1.563 -18.211 -11.689 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.395 -16.697 -10.884 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.003 -19.462 -10.962 1.00 0.00 C ATOM 0 H ILE A 35 0.749 -15.818 -11.613 1.00 0.00 H new ATOM 0 HA ILE A 35 3.054 -15.529 -13.285 1.00 0.00 H new ATOM 0 HB ILE A 35 3.459 -17.912 -12.637 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.886 -17.647 -11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.998 -18.496 -12.576 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.742 -17.493 -10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.244 -16.090 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.680 -16.071 -10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.128 -20.055 -10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.656 -20.048 -11.609 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.543 -19.186 -10.056 1.00 0.00 H new TER 548 ILE A 35