USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 281 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 VAL N :NH3+ -145:sc= -0.047 (180deg=-0.561) USER MOD Single : A 4 ASN : amide:sc= 0.6 K(o=0.6,f=-5.1!) USER MOD Single : A 6 LYS NZ :NH3+ -134:sc=-0.000925 (180deg=-0.121) USER MOD Single : A 10 SER OG : rot 78:sc= 1.11 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0.787 (180deg=-0.696!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.098 8.528 3.191 1.00 0.00 N ATOM 2 CA VAL A 1 -2.751 7.414 4.121 1.00 0.00 C ATOM 3 C VAL A 1 -1.650 6.543 3.515 1.00 0.00 C ATOM 4 O VAL A 1 -1.844 5.374 3.248 1.00 0.00 O ATOM 5 CB VAL A 1 -4.042 6.611 4.291 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.733 5.289 4.995 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.033 7.416 5.134 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.336 9.378 3.741 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.286 8.731 2.574 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.915 8.253 2.609 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.376 7.780 5.077 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.475 6.408 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.653 4.717 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.025 4.715 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.300 5.491 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.954 6.846 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.598 7.618 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.254 8.359 4.634 1.00 0.00 H new ATOM 19 N PHE A 2 -0.494 7.106 3.293 1.00 0.00 N ATOM 20 CA PHE A 2 0.624 6.311 2.705 1.00 0.00 C ATOM 21 C PHE A 2 1.457 5.672 3.818 1.00 0.00 C ATOM 22 O PHE A 2 1.350 6.036 4.972 1.00 0.00 O ATOM 23 CB PHE A 2 1.460 7.324 1.926 1.00 0.00 C ATOM 24 CG PHE A 2 0.893 7.484 0.536 1.00 0.00 C ATOM 25 CD1 PHE A 2 -0.491 7.407 0.333 1.00 0.00 C ATOM 26 CD2 PHE A 2 1.749 7.709 -0.549 1.00 0.00 C ATOM 27 CE1 PHE A 2 -1.017 7.555 -0.956 1.00 0.00 C ATOM 28 CE2 PHE A 2 1.220 7.858 -1.838 1.00 0.00 C ATOM 29 CZ PHE A 2 -0.162 7.780 -2.041 1.00 0.00 C ATOM 0 H PHE A 2 -0.274 8.082 3.493 1.00 0.00 H new ATOM 0 HA PHE A 2 0.267 5.501 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.461 8.284 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.496 6.990 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.151 7.234 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.816 7.768 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.084 7.495 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.879 8.033 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.569 7.893 -3.035 1.00 0.00 H new ATOM 39 N ILE A 3 2.289 4.724 3.483 1.00 0.00 N ATOM 40 CA ILE A 3 3.126 4.069 4.529 1.00 0.00 C ATOM 41 C ILE A 3 4.474 3.648 3.941 1.00 0.00 C ATOM 42 O ILE A 3 4.550 3.098 2.859 1.00 0.00 O ATOM 43 CB ILE A 3 2.324 2.846 4.973 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.111 1.920 3.773 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.968 3.294 5.521 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.212 0.750 4.181 1.00 0.00 C ATOM 0 H ILE A 3 2.425 4.375 2.534 1.00 0.00 H new ATOM 0 HA ILE A 3 3.341 4.736 5.364 1.00 0.00 H new ATOM 0 HB ILE A 3 2.869 2.315 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.656 2.472 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.070 1.547 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.397 2.421 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.121 3.956 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.419 3.825 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.061 0.092 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.685 0.192 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.249 1.132 4.519 1.00 0.00 H new ATOM 58 N ASN A 4 5.542 3.905 4.646 1.00 0.00 N ATOM 59 CA ASN A 4 6.888 3.524 4.132 1.00 0.00 C ATOM 60 C ASN A 4 7.372 2.241 4.812 1.00 0.00 C ATOM 61 O ASN A 4 8.396 2.221 5.466 1.00 0.00 O ATOM 62 CB ASN A 4 7.794 4.699 4.501 1.00 0.00 C ATOM 63 CG ASN A 4 7.744 4.924 6.013 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.700 5.216 6.562 1.00 0.00 O ATOM 65 ND2 ASN A 4 8.836 4.799 6.715 1.00 0.00 N ATOM 0 H ASN A 4 5.540 4.363 5.557 1.00 0.00 H new ATOM 0 HA ASN A 4 6.882 3.330 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.818 4.496 4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.472 5.599 3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.813 4.946 7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.713 4.554 6.255 1.00 0.00 H new ATOM 72 N ALA A 5 6.644 1.169 4.665 1.00 0.00 N ATOM 73 CA ALA A 5 7.063 -0.112 5.304 1.00 0.00 C ATOM 74 C ALA A 5 8.049 -0.858 4.400 1.00 0.00 C ATOM 75 O ALA A 5 8.303 -2.033 4.579 1.00 0.00 O ATOM 76 CB ALA A 5 5.772 -0.913 5.468 1.00 0.00 C ATOM 0 H ALA A 5 5.777 1.124 4.130 1.00 0.00 H new ATOM 0 HA ALA A 5 7.567 0.047 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.996 -1.873 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.077 -0.358 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.321 -1.080 4.490 1.00 0.00 H new ATOM 82 N LYS A 6 8.608 -0.185 3.431 1.00 0.00 N ATOM 83 CA LYS A 6 9.578 -0.855 2.517 1.00 0.00 C ATOM 84 C LYS A 6 9.018 -2.192 2.028 1.00 0.00 C ATOM 85 O LYS A 6 9.373 -3.243 2.525 1.00 0.00 O ATOM 86 CB LYS A 6 10.827 -1.084 3.362 1.00 0.00 C ATOM 87 CG LYS A 6 11.917 -0.097 2.937 1.00 0.00 C ATOM 88 CD LYS A 6 13.234 -0.848 2.736 1.00 0.00 C ATOM 89 CE LYS A 6 14.204 -0.493 3.867 1.00 0.00 C ATOM 90 NZ LYS A 6 14.698 0.878 3.547 1.00 0.00 N ATOM 0 H LYS A 6 8.435 0.800 3.232 1.00 0.00 H new ATOM 0 HA LYS A 6 9.784 -0.254 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.594 -0.952 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.180 -2.108 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.628 0.405 2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.039 0.676 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.053 -1.923 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.671 -0.586 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.704 -0.515 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.027 -1.206 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.731 0.911 3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.454 1.114 2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.254 1.565 4.189 1.00 0.00 H new ATOM 104 N CYS A 7 8.148 -2.166 1.056 1.00 0.00 N ATOM 105 CA CYS A 7 7.574 -3.444 0.541 1.00 0.00 C ATOM 106 C CYS A 7 8.645 -4.228 -0.225 1.00 0.00 C ATOM 107 O CYS A 7 9.823 -3.947 -0.122 1.00 0.00 O ATOM 108 CB CYS A 7 6.427 -3.033 -0.387 1.00 0.00 C ATOM 109 SG CYS A 7 7.089 -2.350 -1.927 1.00 0.00 S ATOM 0 H CYS A 7 7.810 -1.320 0.597 1.00 0.00 H new ATOM 0 HA CYS A 7 7.221 -4.091 1.344 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.797 -3.896 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.796 -2.294 0.107 1.00 0.00 H new ATOM 114 N ARG A 8 8.251 -5.213 -0.986 1.00 0.00 N ATOM 115 CA ARG A 8 9.257 -6.010 -1.745 1.00 0.00 C ATOM 116 C ARG A 8 8.900 -6.052 -3.235 1.00 0.00 C ATOM 117 O ARG A 8 9.727 -6.366 -4.068 1.00 0.00 O ATOM 118 CB ARG A 8 9.192 -7.414 -1.140 1.00 0.00 C ATOM 119 CG ARG A 8 10.150 -7.506 0.051 1.00 0.00 C ATOM 120 CD ARG A 8 10.402 -8.977 0.393 1.00 0.00 C ATOM 121 NE ARG A 8 11.200 -9.506 -0.748 1.00 0.00 N ATOM 122 CZ ARG A 8 11.545 -10.766 -0.776 1.00 0.00 C ATOM 123 NH1 ARG A 8 10.725 -11.657 -1.266 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.708 -11.135 -0.311 1.00 0.00 N ATOM 0 H ARG A 8 7.281 -5.499 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 8 10.255 -5.579 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.174 -7.636 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.458 -8.157 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.091 -7.011 -0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.727 -6.989 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.944 -9.076 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.465 -9.522 0.506 1.00 0.00 H new ATOM 0 HE ARG A 8 11.477 -8.884 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.815 -11.369 -1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.994 -12.641 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.347 -10.440 0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.977 -12.119 -0.333 1.00 0.00 H new ATOM 138 N GLY A 9 7.679 -5.749 -3.583 1.00 0.00 N ATOM 139 CA GLY A 9 7.297 -5.786 -5.023 1.00 0.00 C ATOM 140 C GLY A 9 6.124 -4.841 -5.293 1.00 0.00 C ATOM 141 O GLY A 9 6.224 -3.935 -6.096 1.00 0.00 O ATOM 0 H GLY A 9 6.935 -5.480 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.150 -5.501 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.025 -6.803 -5.307 1.00 0.00 H new ATOM 145 N SER A 10 5.008 -5.048 -4.644 1.00 0.00 N ATOM 146 CA SER A 10 3.830 -4.160 -4.890 1.00 0.00 C ATOM 147 C SER A 10 2.555 -4.734 -4.252 1.00 0.00 C ATOM 148 O SER A 10 1.900 -4.056 -3.484 1.00 0.00 O ATOM 149 CB SER A 10 3.677 -4.106 -6.410 1.00 0.00 C ATOM 150 OG SER A 10 4.111 -2.836 -6.880 1.00 0.00 O ATOM 0 H SER A 10 4.860 -5.788 -3.958 1.00 0.00 H new ATOM 0 HA SER A 10 3.980 -3.174 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.263 -4.899 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.637 -4.274 -6.689 1.00 0.00 H new ATOM 0 HG SER A 10 5.091 -2.811 -6.898 1.00 0.00 H new ATOM 156 N PRO A 11 2.226 -5.961 -4.593 1.00 0.00 N ATOM 157 CA PRO A 11 1.005 -6.601 -4.043 1.00 0.00 C ATOM 158 C PRO A 11 1.011 -6.609 -2.510 1.00 0.00 C ATOM 159 O PRO A 11 0.006 -6.881 -1.886 1.00 0.00 O ATOM 160 CB PRO A 11 1.077 -8.020 -4.616 1.00 0.00 C ATOM 161 CG PRO A 11 2.336 -8.135 -5.496 1.00 0.00 C ATOM 162 CD PRO A 11 3.043 -6.771 -5.530 1.00 0.00 C ATOM 0 HA PRO A 11 0.088 -6.076 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.112 -8.752 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.185 -8.236 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.006 -8.897 -5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.064 -8.444 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.081 -6.844 -5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.053 -6.344 -6.533 1.00 0.00 H new ATOM 170 N GLU A 12 2.120 -6.304 -1.894 1.00 0.00 N ATOM 171 CA GLU A 12 2.154 -6.286 -0.402 1.00 0.00 C ATOM 172 C GLU A 12 1.393 -5.060 0.113 1.00 0.00 C ATOM 173 O GLU A 12 0.796 -5.076 1.175 1.00 0.00 O ATOM 174 CB GLU A 12 3.636 -6.184 -0.038 1.00 0.00 C ATOM 175 CG GLU A 12 4.074 -7.454 0.694 1.00 0.00 C ATOM 176 CD GLU A 12 4.320 -8.568 -0.324 1.00 0.00 C ATOM 177 OE1 GLU A 12 3.856 -8.434 -1.445 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.969 -9.537 0.033 1.00 0.00 O ATOM 0 H GLU A 12 2.999 -6.068 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 12 1.690 -7.169 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.234 -6.047 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.807 -5.312 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.982 -7.262 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.307 -7.760 1.406 1.00 0.00 H new ATOM 185 N CYS A 13 1.411 -3.997 -0.643 1.00 0.00 N ATOM 186 CA CYS A 13 0.701 -2.755 -0.222 1.00 0.00 C ATOM 187 C CYS A 13 -0.818 -2.961 -0.262 1.00 0.00 C ATOM 188 O CYS A 13 -1.554 -2.341 0.479 1.00 0.00 O ATOM 189 CB CYS A 13 1.131 -1.702 -1.246 1.00 0.00 C ATOM 190 SG CYS A 13 0.120 -0.214 -1.052 1.00 0.00 S ATOM 0 H CYS A 13 1.891 -3.935 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 13 0.945 -2.463 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.185 -1.458 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.023 -2.098 -2.256 1.00 0.00 H new ATOM 195 N LEU A 14 -1.297 -3.823 -1.119 1.00 0.00 N ATOM 196 CA LEU A 14 -2.770 -4.050 -1.193 1.00 0.00 C ATOM 197 C LEU A 14 -3.310 -4.535 0.160 1.00 0.00 C ATOM 198 O LEU A 14 -4.198 -3.919 0.716 1.00 0.00 O ATOM 199 CB LEU A 14 -2.967 -5.118 -2.271 1.00 0.00 C ATOM 200 CG LEU A 14 -3.873 -4.573 -3.377 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.257 -3.306 -3.970 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.021 -5.628 -4.476 1.00 0.00 C ATOM 0 H LEU A 14 -0.737 -4.376 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.309 -3.134 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.003 -5.410 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.409 -6.013 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.852 -4.337 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.905 -2.921 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.149 -2.554 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.277 -3.539 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.666 -5.243 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.040 -5.862 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.462 -6.532 -4.056 1.00 0.00 H new ATOM 214 N PRO A 15 -2.762 -5.621 0.657 1.00 0.00 N ATOM 215 CA PRO A 15 -3.216 -6.166 1.959 1.00 0.00 C ATOM 216 C PRO A 15 -3.003 -5.135 3.069 1.00 0.00 C ATOM 217 O PRO A 15 -3.873 -4.893 3.881 1.00 0.00 O ATOM 218 CB PRO A 15 -2.302 -7.378 2.158 1.00 0.00 C ATOM 219 CG PRO A 15 -1.349 -7.481 0.954 1.00 0.00 C ATOM 220 CD PRO A 15 -1.677 -6.355 -0.036 1.00 0.00 C ATOM 0 HA PRO A 15 -4.276 -6.420 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.733 -7.275 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.895 -8.288 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.313 -7.402 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.456 -8.452 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.813 -5.718 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.003 -6.745 -1.000 1.00 0.00 H new ATOM 228 N LYS A 16 -1.849 -4.526 3.111 1.00 0.00 N ATOM 229 CA LYS A 16 -1.585 -3.512 4.172 1.00 0.00 C ATOM 230 C LYS A 16 -2.553 -2.332 4.034 1.00 0.00 C ATOM 231 O LYS A 16 -2.944 -1.722 5.010 1.00 0.00 O ATOM 232 CB LYS A 16 -0.146 -3.060 3.934 1.00 0.00 C ATOM 233 CG LYS A 16 0.806 -3.971 4.713 1.00 0.00 C ATOM 234 CD LYS A 16 0.670 -3.688 6.210 1.00 0.00 C ATOM 235 CE LYS A 16 0.642 -5.011 6.980 1.00 0.00 C ATOM 236 NZ LYS A 16 -0.140 -4.724 8.216 1.00 0.00 N ATOM 0 H LYS A 16 -1.081 -4.686 2.460 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.725 -3.916 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.087 -3.096 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.020 -2.025 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.576 -5.016 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.834 -3.801 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.503 -3.074 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.242 -3.124 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.174 -5.800 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.650 -5.349 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.202 -5.585 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.333 -3.974 8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.097 -4.412 7.956 1.00 0.00 H new ATOM 250 N CYS A 17 -2.943 -2.006 2.831 1.00 0.00 N ATOM 251 CA CYS A 17 -3.885 -0.866 2.639 1.00 0.00 C ATOM 252 C CYS A 17 -5.233 -1.180 3.294 1.00 0.00 C ATOM 253 O CYS A 17 -5.745 -0.410 4.080 1.00 0.00 O ATOM 254 CB CYS A 17 -4.044 -0.733 1.123 1.00 0.00 C ATOM 255 SG CYS A 17 -2.633 0.174 0.441 1.00 0.00 S ATOM 0 H CYS A 17 -2.651 -2.478 1.975 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.517 0.055 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.110 -1.720 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.972 -0.211 0.889 1.00 0.00 H new ATOM 260 N LYS A 18 -5.810 -2.307 2.977 1.00 0.00 N ATOM 261 CA LYS A 18 -7.124 -2.668 3.583 1.00 0.00 C ATOM 262 C LYS A 18 -7.014 -2.696 5.111 1.00 0.00 C ATOM 263 O LYS A 18 -7.934 -2.332 5.815 1.00 0.00 O ATOM 264 CB LYS A 18 -7.441 -4.063 3.044 1.00 0.00 C ATOM 265 CG LYS A 18 -8.766 -4.552 3.634 1.00 0.00 C ATOM 266 CD LYS A 18 -8.657 -6.039 3.978 1.00 0.00 C ATOM 267 CE LYS A 18 -8.464 -6.202 5.488 1.00 0.00 C ATOM 268 NZ LYS A 18 -8.150 -7.645 5.681 1.00 0.00 N ATOM 0 H LYS A 18 -5.429 -2.993 2.325 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.903 -1.948 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.503 -4.038 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.639 -4.755 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.011 -3.979 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.574 -4.392 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.557 -6.564 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.819 -6.486 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.655 -5.569 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.363 -5.917 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.444 -7.748 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.016 -8.157 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.770 -8.039 4.797 1.00 0.00 H new ATOM 282 N GLU A 19 -5.896 -3.127 5.628 1.00 0.00 N ATOM 283 CA GLU A 19 -5.733 -3.179 7.109 1.00 0.00 C ATOM 284 C GLU A 19 -5.490 -1.774 7.666 1.00 0.00 C ATOM 285 O GLU A 19 -5.647 -1.528 8.845 1.00 0.00 O ATOM 286 CB GLU A 19 -4.510 -4.066 7.344 1.00 0.00 C ATOM 287 CG GLU A 19 -4.762 -5.454 6.754 1.00 0.00 C ATOM 288 CD GLU A 19 -5.532 -6.307 7.765 1.00 0.00 C ATOM 289 OE1 GLU A 19 -5.005 -6.537 8.840 1.00 0.00 O ATOM 290 OE2 GLU A 19 -6.635 -6.717 7.444 1.00 0.00 O ATOM 0 H GLU A 19 -5.090 -3.445 5.090 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.621 -3.569 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.630 -3.618 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.305 -4.145 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.329 -5.369 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.815 -5.932 6.505 1.00 0.00 H new ATOM 297 N ALA A 20 -5.102 -0.851 6.828 1.00 0.00 N ATOM 298 CA ALA A 20 -4.843 0.535 7.315 1.00 0.00 C ATOM 299 C ALA A 20 -5.858 1.518 6.720 1.00 0.00 C ATOM 300 O ALA A 20 -5.935 2.661 7.122 1.00 0.00 O ATOM 301 CB ALA A 20 -3.431 0.868 6.831 1.00 0.00 C ATOM 0 H ALA A 20 -4.953 -0.996 5.829 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.935 0.609 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.165 1.876 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.724 0.155 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.396 0.811 5.743 1.00 0.00 H new ATOM 307 N ILE A 21 -6.637 1.087 5.764 1.00 0.00 N ATOM 308 CA ILE A 21 -7.640 2.010 5.154 1.00 0.00 C ATOM 309 C ILE A 21 -9.021 1.344 5.094 1.00 0.00 C ATOM 310 O ILE A 21 -10.039 2.006 5.141 1.00 0.00 O ATOM 311 CB ILE A 21 -7.105 2.307 3.747 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.735 3.602 3.228 1.00 0.00 C ATOM 313 CG2 ILE A 21 -7.452 1.160 2.795 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.776 4.277 2.247 1.00 0.00 C ATOM 0 H ILE A 21 -6.623 0.142 5.380 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.768 2.923 5.736 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.021 2.414 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.683 3.386 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.953 4.272 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.067 1.384 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -7.002 0.236 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.535 1.042 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.224 5.199 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.839 4.507 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.581 3.607 1.410 1.00 0.00 H new ATOM 326 N GLY A 22 -9.069 0.042 4.994 1.00 0.00 N ATOM 327 CA GLY A 22 -10.389 -0.650 4.936 1.00 0.00 C ATOM 328 C GLY A 22 -10.539 -1.361 3.589 1.00 0.00 C ATOM 329 O GLY A 22 -11.080 -2.447 3.507 1.00 0.00 O ATOM 0 H GLY A 22 -8.254 -0.570 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.469 -1.371 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.195 0.072 5.069 1.00 0.00 H new ATOM 333 N LYS A 23 -10.069 -0.758 2.533 1.00 0.00 N ATOM 334 CA LYS A 23 -10.187 -1.399 1.192 1.00 0.00 C ATOM 335 C LYS A 23 -8.807 -1.533 0.543 1.00 0.00 C ATOM 336 O LYS A 23 -8.028 -0.601 0.523 1.00 0.00 O ATOM 337 CB LYS A 23 -11.072 -0.453 0.379 1.00 0.00 C ATOM 338 CG LYS A 23 -12.364 -0.171 1.147 1.00 0.00 C ATOM 339 CD LYS A 23 -13.389 0.462 0.205 1.00 0.00 C ATOM 340 CE LYS A 23 -14.408 -0.594 -0.227 1.00 0.00 C ATOM 341 NZ LYS A 23 -14.573 -0.392 -1.693 1.00 0.00 N ATOM 0 H LYS A 23 -9.608 0.152 2.540 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.607 -2.403 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.542 0.479 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.302 -0.897 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.761 -1.096 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.163 0.497 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.895 1.288 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.887 0.877 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.052 -1.600 -0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.355 -0.467 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.258 -1.081 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.919 0.572 -1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.657 -0.526 -2.167 1.00 0.00 H new ATOM 355 N ALA A 24 -8.498 -2.685 0.011 1.00 0.00 N ATOM 356 CA ALA A 24 -7.168 -2.874 -0.638 1.00 0.00 C ATOM 357 C ALA A 24 -7.137 -2.170 -1.996 1.00 0.00 C ATOM 358 O ALA A 24 -7.479 -2.741 -3.012 1.00 0.00 O ATOM 359 CB ALA A 24 -7.025 -4.386 -0.814 1.00 0.00 C ATOM 0 H ALA A 24 -9.108 -3.502 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.356 -2.454 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.068 -4.608 -1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.069 -4.872 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.835 -4.757 -1.442 1.00 0.00 H new ATOM 365 N ALA A 25 -6.727 -0.931 -2.021 1.00 0.00 N ATOM 366 CA ALA A 25 -6.671 -0.187 -3.312 1.00 0.00 C ATOM 367 C ALA A 25 -5.426 0.701 -3.351 1.00 0.00 C ATOM 368 O ALA A 25 -5.456 1.846 -2.947 1.00 0.00 O ATOM 369 CB ALA A 25 -7.938 0.667 -3.334 1.00 0.00 C ATOM 0 H ALA A 25 -6.428 -0.401 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.616 -0.854 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.970 1.247 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.814 0.020 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.935 1.344 -2.480 1.00 0.00 H new ATOM 375 N GLY A 26 -4.330 0.182 -3.831 1.00 0.00 N ATOM 376 CA GLY A 26 -3.085 0.999 -3.893 1.00 0.00 C ATOM 377 C GLY A 26 -1.935 0.150 -4.438 1.00 0.00 C ATOM 378 O GLY A 26 -2.120 -0.987 -4.827 1.00 0.00 O ATOM 0 H GLY A 26 -4.242 -0.771 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.241 1.869 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.835 1.373 -2.900 1.00 0.00 H new ATOM 382 N LYS A 27 -0.750 0.693 -4.469 1.00 0.00 N ATOM 383 CA LYS A 27 0.417 -0.081 -4.989 1.00 0.00 C ATOM 384 C LYS A 27 1.695 0.385 -4.288 1.00 0.00 C ATOM 385 O LYS A 27 1.679 1.323 -3.516 1.00 0.00 O ATOM 386 CB LYS A 27 0.485 0.237 -6.488 1.00 0.00 C ATOM 387 CG LYS A 27 -0.931 0.319 -7.071 1.00 0.00 C ATOM 388 CD LYS A 27 -0.856 0.636 -8.568 1.00 0.00 C ATOM 389 CE LYS A 27 -0.294 2.046 -8.774 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.480 2.947 -8.725 1.00 0.00 N ATOM 0 H LYS A 27 -0.537 1.640 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 27 0.315 -1.152 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.007 1.181 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.057 -0.533 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.454 -0.625 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.503 1.090 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.223 -0.094 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.847 0.561 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.427 2.301 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.224 2.128 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.174 3.932 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.146 2.686 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.950 2.853 -7.802 1.00 0.00 H new ATOM 404 N CYS A 28 2.806 -0.253 -4.547 1.00 0.00 N ATOM 405 CA CYS A 28 4.070 0.179 -3.882 1.00 0.00 C ATOM 406 C CYS A 28 5.011 0.837 -4.892 1.00 0.00 C ATOM 407 O CYS A 28 5.272 0.304 -5.953 1.00 0.00 O ATOM 408 CB CYS A 28 4.701 -1.094 -3.318 1.00 0.00 C ATOM 409 SG CYS A 28 6.046 -0.640 -2.192 1.00 0.00 S ATOM 0 H CYS A 28 2.893 -1.046 -5.183 1.00 0.00 H new ATOM 0 HA CYS A 28 3.878 0.913 -3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.951 -1.683 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.082 -1.716 -4.128 1.00 0.00 H new ATOM 414 N MET A 29 5.530 1.989 -4.566 1.00 0.00 N ATOM 415 CA MET A 29 6.463 2.682 -5.498 1.00 0.00 C ATOM 416 C MET A 29 7.725 3.113 -4.747 1.00 0.00 C ATOM 417 O MET A 29 7.662 3.584 -3.628 1.00 0.00 O ATOM 418 CB MET A 29 5.692 3.904 -5.999 1.00 0.00 C ATOM 419 CG MET A 29 6.469 4.568 -7.138 1.00 0.00 C ATOM 420 SD MET A 29 5.305 5.246 -8.347 1.00 0.00 S ATOM 421 CE MET A 29 5.855 6.968 -8.251 1.00 0.00 C ATOM 0 H MET A 29 5.347 2.481 -3.692 1.00 0.00 H new ATOM 0 HA MET A 29 6.782 2.041 -6.320 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.703 3.606 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.544 4.613 -5.184 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.105 5.361 -6.745 1.00 0.00 H new ATOM 0 HG3 MET A 29 7.125 3.841 -7.617 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.260 7.578 -8.930 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.731 7.333 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.906 7.031 -8.533 1.00 0.00 H new ATOM 431 N ASN A 30 8.871 2.954 -5.351 1.00 0.00 N ATOM 432 CA ASN A 30 10.137 3.353 -4.669 1.00 0.00 C ATOM 433 C ASN A 30 10.327 2.545 -3.381 1.00 0.00 C ATOM 434 O ASN A 30 11.175 2.850 -2.565 1.00 0.00 O ATOM 435 CB ASN A 30 9.965 4.839 -4.349 1.00 0.00 C ATOM 436 CG ASN A 30 10.713 5.677 -5.388 1.00 0.00 C ATOM 437 OD1 ASN A 30 11.392 6.625 -5.046 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.616 5.366 -6.651 1.00 0.00 N ATOM 0 H ASN A 30 8.986 2.565 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 30 11.014 3.168 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.907 5.101 -4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.347 5.053 -3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.110 5.919 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.046 4.570 -6.938 1.00 0.00 H new ATOM 445 N GLY A 31 9.549 1.514 -3.193 1.00 0.00 N ATOM 446 CA GLY A 31 9.691 0.687 -1.959 1.00 0.00 C ATOM 447 C GLY A 31 8.688 1.151 -0.900 1.00 0.00 C ATOM 448 O GLY A 31 8.823 0.848 0.265 1.00 0.00 O ATOM 0 H GLY A 31 8.822 1.208 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.524 -0.364 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.706 0.769 -1.571 1.00 0.00 H new ATOM 452 N LYS A 32 7.683 1.880 -1.289 1.00 0.00 N ATOM 453 CA LYS A 32 6.679 2.353 -0.290 1.00 0.00 C ATOM 454 C LYS A 32 5.260 2.068 -0.787 1.00 0.00 C ATOM 455 O LYS A 32 4.976 2.166 -1.962 1.00 0.00 O ATOM 456 CB LYS A 32 6.915 3.858 -0.166 1.00 0.00 C ATOM 457 CG LYS A 32 8.399 4.125 0.093 1.00 0.00 C ATOM 458 CD LYS A 32 8.554 4.966 1.362 1.00 0.00 C ATOM 459 CE LYS A 32 10.006 5.428 1.494 1.00 0.00 C ATOM 460 NZ LYS A 32 9.936 6.916 1.494 1.00 0.00 N ATOM 0 H LYS A 32 7.510 2.170 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 32 6.785 1.847 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.598 4.362 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.314 4.265 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.935 3.182 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.839 4.646 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.889 5.829 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.266 4.381 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.458 5.054 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.614 5.061 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.895 7.309 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.508 7.243 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.356 7.236 2.296 1.00 0.00 H new ATOM 474 N CYS A 33 4.370 1.714 0.102 1.00 0.00 N ATOM 475 CA CYS A 33 2.967 1.413 -0.314 1.00 0.00 C ATOM 476 C CYS A 33 2.141 2.702 -0.402 1.00 0.00 C ATOM 477 O CYS A 33 2.322 3.626 0.368 1.00 0.00 O ATOM 478 CB CYS A 33 2.429 0.491 0.788 1.00 0.00 C ATOM 479 SG CYS A 33 0.614 0.483 0.778 1.00 0.00 S ATOM 0 H CYS A 33 4.554 1.620 1.101 1.00 0.00 H new ATOM 0 HA CYS A 33 2.915 0.950 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.804 -0.522 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.792 0.825 1.760 1.00 0.00 H new ATOM 484 N LYS A 34 1.226 2.759 -1.333 1.00 0.00 N ATOM 485 CA LYS A 34 0.372 3.973 -1.478 1.00 0.00 C ATOM 486 C LYS A 34 -1.095 3.559 -1.624 1.00 0.00 C ATOM 487 O LYS A 34 -1.530 3.151 -2.683 1.00 0.00 O ATOM 488 CB LYS A 34 0.863 4.658 -2.755 1.00 0.00 C ATOM 489 CG LYS A 34 2.380 4.840 -2.691 1.00 0.00 C ATOM 490 CD LYS A 34 2.833 5.743 -3.840 1.00 0.00 C ATOM 491 CE LYS A 34 2.755 4.972 -5.160 1.00 0.00 C ATOM 492 NZ LYS A 34 1.638 5.609 -5.913 1.00 0.00 N ATOM 0 H LYS A 34 1.033 2.013 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 34 0.439 4.634 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.595 4.060 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.375 5.626 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.664 5.279 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.877 3.872 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.203 6.631 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.853 6.085 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.692 5.039 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.562 3.913 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.523 5.134 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.758 5.524 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.853 6.615 -6.068 1.00 0.00 H new ATOM 506 N CYS A 35 -1.857 3.651 -0.570 1.00 0.00 N ATOM 507 CA CYS A 35 -3.292 3.254 -0.653 1.00 0.00 C ATOM 508 C CYS A 35 -4.130 4.391 -1.243 1.00 0.00 C ATOM 509 O CYS A 35 -3.675 5.509 -1.378 1.00 0.00 O ATOM 510 CB CYS A 35 -3.713 2.977 0.791 1.00 0.00 C ATOM 511 SG CYS A 35 -2.524 1.851 1.562 1.00 0.00 S ATOM 0 H CYS A 35 -1.550 3.983 0.344 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.438 2.387 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.762 3.910 1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.711 2.539 0.812 1.00 0.00 H new ATOM 516 N TYR A 36 -5.356 4.110 -1.591 1.00 0.00 N ATOM 517 CA TYR A 36 -6.233 5.169 -2.167 1.00 0.00 C ATOM 518 C TYR A 36 -7.497 5.326 -1.312 1.00 0.00 C ATOM 519 O TYR A 36 -7.852 4.433 -0.568 1.00 0.00 O ATOM 520 CB TYR A 36 -6.593 4.671 -3.568 1.00 0.00 C ATOM 521 CG TYR A 36 -5.650 5.278 -4.579 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.400 4.693 -4.811 1.00 0.00 C ATOM 523 CD2 TYR A 36 -6.029 6.426 -5.286 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.527 5.256 -5.750 1.00 0.00 C ATOM 525 CE2 TYR A 36 -5.156 6.987 -6.226 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.905 6.404 -6.457 1.00 0.00 C ATOM 527 OH TYR A 36 -3.045 6.959 -7.384 1.00 0.00 O ATOM 0 H TYR A 36 -5.789 3.191 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.742 6.142 -2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.531 3.583 -3.605 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.622 4.940 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.109 3.807 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.993 6.878 -5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.562 4.805 -5.929 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.448 7.871 -6.773 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.462 7.750 -7.785 1.00 0.00 H new ATOM 537 N PRO A 37 -8.138 6.461 -1.442 1.00 0.00 N ATOM 538 CA PRO A 37 -9.373 6.732 -0.669 1.00 0.00 C ATOM 539 C PRO A 37 -10.464 5.717 -1.025 1.00 0.00 C ATOM 540 O PRO A 37 -10.331 5.070 -2.049 1.00 0.00 O ATOM 541 CB PRO A 37 -9.756 8.142 -1.131 1.00 0.00 C ATOM 542 CG PRO A 37 -8.715 8.627 -2.159 1.00 0.00 C ATOM 543 CD PRO A 37 -7.670 7.523 -2.363 1.00 0.00 C ATOM 544 OXT PRO A 37 -11.413 5.606 -0.265 1.00 0.00 O ATOM 0 HA PRO A 37 -9.241 6.656 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.751 8.136 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.791 8.822 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.201 8.866 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.235 9.541 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.640 7.179 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.666 7.864 -2.112 1.00 0.00 H new TER 552 PRO A 37