USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 221 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 4 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.71) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.55) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLY A 2 -8.508 -0.570 1.508 1.00 0.00 N ATOM 17 CA GLY A 2 -7.064 -0.739 1.726 1.00 0.00 C ATOM 18 C GLY A 2 -6.733 -1.383 3.082 1.00 0.00 C ATOM 19 O GLY A 2 -7.489 -2.222 3.581 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.651 -1.355 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.576 0.234 1.663 1.00 0.00 H new ATOM 23 N ILE A 3 -5.598 -0.990 3.668 1.00 0.00 N ATOM 24 CA ILE A 3 -5.054 -1.519 4.937 1.00 0.00 C ATOM 25 C ILE A 3 -4.627 -0.373 5.883 1.00 0.00 C ATOM 26 O ILE A 3 -4.766 0.805 5.543 1.00 0.00 O ATOM 27 CB ILE A 3 -3.903 -2.527 4.661 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.642 -1.837 4.090 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.392 -3.685 3.764 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.518 -2.831 3.769 1.00 0.00 C ATOM 0 H ILE A 3 -5.005 -0.267 3.261 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.843 -2.067 5.453 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.604 -2.954 5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.909 -1.292 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.278 -1.102 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.570 -4.378 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.208 -4.211 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.744 -3.285 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.658 -2.292 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.228 -3.358 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.869 -3.550 3.029 1.00 0.00 H new ATOM 41 N ASN A 4 -4.096 -0.704 7.066 1.00 0.00 N ATOM 42 CA ASN A 4 -3.649 0.260 8.080 1.00 0.00 C ATOM 43 C ASN A 4 -2.225 -0.079 8.568 1.00 0.00 C ATOM 44 O ASN A 4 -2.037 -0.770 9.573 1.00 0.00 O ATOM 45 CB ASN A 4 -4.703 0.327 9.204 1.00 0.00 C ATOM 46 CG ASN A 4 -4.406 1.461 10.174 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.525 2.634 9.848 1.00 0.00 O ATOM 48 ND2 ASN A 4 -3.995 1.166 11.386 1.00 0.00 N ATOM 0 H ASN A 4 -3.962 -1.674 7.352 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.571 1.260 7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.693 0.467 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.723 -0.620 9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.778 1.912 12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.893 0.191 11.667 1.00 0.00 H new ATOM 54 N VAL A 5 -1.224 0.380 7.811 1.00 0.00 N ATOM 55 CA VAL A 5 0.217 0.126 8.024 1.00 0.00 C ATOM 56 C VAL A 5 0.994 1.416 7.737 1.00 0.00 C ATOM 57 O VAL A 5 0.593 2.187 6.862 1.00 0.00 O ATOM 58 CB VAL A 5 0.727 -1.007 7.094 1.00 0.00 C ATOM 59 CG1 VAL A 5 2.142 -1.469 7.475 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.170 -2.256 7.110 1.00 0.00 C ATOM 0 H VAL A 5 -1.396 0.966 6.994 1.00 0.00 H new ATOM 0 HA VAL A 5 0.371 -0.188 9.056 1.00 0.00 H new ATOM 0 HB VAL A 5 0.717 -0.563 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.460 -2.263 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.832 -0.629 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.139 -1.844 8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.243 -3.009 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.216 -2.658 8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.174 -1.987 6.780 1.00 0.00 H new ATOM 70 N LYS A 6 2.092 1.682 8.449 1.00 0.00 N ATOM 71 CA LYS A 6 2.931 2.882 8.249 1.00 0.00 C ATOM 72 C LYS A 6 3.947 2.706 7.102 1.00 0.00 C ATOM 73 O LYS A 6 4.252 1.579 6.701 1.00 0.00 O ATOM 74 CB LYS A 6 3.598 3.253 9.594 1.00 0.00 C ATOM 75 CG LYS A 6 3.378 4.737 9.945 1.00 0.00 C ATOM 76 CD LYS A 6 3.464 4.975 11.463 1.00 0.00 C ATOM 77 CE LYS A 6 3.080 6.428 11.789 1.00 0.00 C ATOM 78 NZ LYS A 6 4.087 7.098 12.655 1.00 0.00 N ATOM 0 H LYS A 6 2.433 1.069 9.189 1.00 0.00 H new ATOM 0 HA LYS A 6 2.299 3.712 7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.191 2.626 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.667 3.046 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.125 5.347 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.402 5.058 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.798 4.288 11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.475 4.769 11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.971 6.989 10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.110 6.442 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.785 8.074 12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.173 6.579 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.008 7.110 12.172 1.00 0.00 H new ATOM 88 N CYS A 7 4.465 3.817 6.575 1.00 0.00 N ATOM 89 CA CYS A 7 5.395 3.836 5.435 1.00 0.00 C ATOM 90 C CYS A 7 6.320 5.071 5.441 1.00 0.00 C ATOM 91 O CYS A 7 6.008 6.097 6.052 1.00 0.00 O ATOM 92 CB CYS A 7 4.578 3.736 4.125 1.00 0.00 C ATOM 93 SG CYS A 7 3.162 4.871 3.970 1.00 0.00 S ATOM 0 H CYS A 7 4.249 4.748 6.932 1.00 0.00 H new ATOM 0 HA CYS A 7 6.061 2.977 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.252 3.913 3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.210 2.715 4.028 1.00 0.00 H new ATOM 97 N LYS A 8 7.455 4.966 4.729 1.00 0.00 N ATOM 98 CA LYS A 8 8.537 5.983 4.660 1.00 0.00 C ATOM 99 C LYS A 8 8.855 6.490 3.239 1.00 0.00 C ATOM 100 O LYS A 8 9.563 7.489 3.110 1.00 0.00 O ATOM 101 CB LYS A 8 9.806 5.418 5.343 1.00 0.00 C ATOM 102 CG LYS A 8 10.086 6.044 6.723 1.00 0.00 C ATOM 103 CD LYS A 8 11.208 5.267 7.430 1.00 0.00 C ATOM 104 CE LYS A 8 11.305 5.674 8.910 1.00 0.00 C ATOM 105 NZ LYS A 8 11.864 4.570 9.744 1.00 0.00 N ATOM 0 H LYS A 8 7.659 4.143 4.162 1.00 0.00 H new ATOM 0 HA LYS A 8 8.173 6.863 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.699 4.339 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.665 5.587 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.373 7.089 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.181 6.027 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.019 4.196 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.159 5.459 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.935 6.558 9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.316 5.946 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.916 4.877 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.249 3.735 9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.817 4.328 9.406 1.00 0.00 H new ATOM 115 N HIS A 9 8.320 5.842 2.197 1.00 0.00 N ATOM 116 CA HIS A 9 8.457 6.256 0.787 1.00 0.00 C ATOM 117 C HIS A 9 7.204 5.910 -0.049 1.00 0.00 C ATOM 118 O HIS A 9 6.379 6.788 -0.297 1.00 0.00 O ATOM 119 CB HIS A 9 9.729 5.632 0.167 1.00 0.00 C ATOM 120 CG HIS A 9 11.005 6.378 0.478 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.293 7.678 0.118 1.00 0.00 N ATOM 122 CD2 HIS A 9 12.123 5.876 1.094 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.542 7.959 0.524 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.095 6.885 1.122 1.00 0.00 N ATOM 0 H HIS A 9 7.765 4.994 2.309 1.00 0.00 H new ATOM 0 HA HIS A 9 8.554 7.342 0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.826 4.606 0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.605 5.584 -0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.235 4.877 1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.034 8.911 0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.033 6.820 1.516 1.00 0.00 H new ATOM 132 N SER A 10 7.064 4.645 -0.480 1.00 0.00 N ATOM 133 CA SER A 10 5.973 4.140 -1.346 1.00 0.00 C ATOM 134 C SER A 10 6.108 2.634 -1.630 1.00 0.00 C ATOM 135 O SER A 10 5.201 1.859 -1.321 1.00 0.00 O ATOM 136 CB SER A 10 5.938 4.932 -2.668 1.00 0.00 C ATOM 137 OG SER A 10 5.091 4.299 -3.610 1.00 0.00 O ATOM 0 H SER A 10 7.730 3.915 -0.228 1.00 0.00 H new ATOM 0 HA SER A 10 5.035 4.285 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.587 5.947 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.946 5.014 -3.075 1.00 0.00 H new ATOM 0 HG SER A 10 5.081 4.818 -4.441 1.00 0.00 H new ATOM 142 N ARG A 11 7.273 2.182 -2.116 1.00 0.00 N ATOM 143 CA ARG A 11 7.585 0.755 -2.397 1.00 0.00 C ATOM 144 C ARG A 11 7.521 -0.168 -1.174 1.00 0.00 C ATOM 145 O ARG A 11 7.317 -1.372 -1.325 1.00 0.00 O ATOM 146 CB ARG A 11 8.956 0.675 -3.104 1.00 0.00 C ATOM 147 CG ARG A 11 8.803 0.968 -4.611 1.00 0.00 C ATOM 148 CD ARG A 11 9.885 1.917 -5.163 1.00 0.00 C ATOM 149 NE ARG A 11 9.613 2.239 -6.580 1.00 0.00 N ATOM 150 CZ ARG A 11 9.847 1.482 -7.637 1.00 0.00 C ATOM 151 NH1 ARG A 11 10.473 0.342 -7.557 1.00 0.00 N ATOM 152 NH2 ARG A 11 9.436 1.858 -8.814 1.00 0.00 N ATOM 0 H ARG A 11 8.050 2.806 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 11 6.799 0.377 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.645 1.391 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.388 -0.316 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.839 0.028 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.821 1.405 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.909 2.833 -4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.867 1.452 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 11 9.196 3.152 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.803 0.004 -6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.633 -0.212 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.932 2.739 -8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.618 1.272 -9.629 1.00 0.00 H new ATOM 163 N GLN A 12 7.621 0.388 0.033 1.00 0.00 N ATOM 164 CA GLN A 12 7.420 -0.330 1.306 1.00 0.00 C ATOM 165 C GLN A 12 5.935 -0.649 1.590 1.00 0.00 C ATOM 166 O GLN A 12 5.647 -1.517 2.413 1.00 0.00 O ATOM 167 CB GLN A 12 8.028 0.468 2.472 1.00 0.00 C ATOM 168 CG GLN A 12 9.454 0.989 2.154 1.00 0.00 C ATOM 169 CD GLN A 12 10.186 1.468 3.405 1.00 0.00 C ATOM 170 OE1 GLN A 12 10.411 0.729 4.357 1.00 0.00 O ATOM 171 NE2 GLN A 12 10.593 2.723 3.452 1.00 0.00 N ATOM 0 H GLN A 12 7.849 1.374 0.163 1.00 0.00 H new ATOM 0 HA GLN A 12 7.934 -1.286 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.380 1.312 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.065 -0.163 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.031 0.196 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.388 1.808 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.412 3.348 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.089 3.068 4.274 1.00 0.00 H new ATOM 178 N CYS A 13 4.994 0.021 0.911 1.00 0.00 N ATOM 179 CA CYS A 13 3.554 -0.254 0.973 1.00 0.00 C ATOM 180 C CYS A 13 3.101 -1.287 -0.083 1.00 0.00 C ATOM 181 O CYS A 13 2.168 -2.047 0.173 1.00 0.00 O ATOM 182 CB CYS A 13 2.814 1.084 0.825 1.00 0.00 C ATOM 183 SG CYS A 13 1.014 0.989 0.688 1.00 0.00 S ATOM 0 H CYS A 13 5.222 0.793 0.284 1.00 0.00 H new ATOM 0 HA CYS A 13 3.313 -0.710 1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.060 1.708 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.199 1.592 -0.059 1.00 0.00 H new ATOM 187 N LEU A 14 3.789 -1.408 -1.230 1.00 0.00 N ATOM 188 CA LEU A 14 3.483 -2.458 -2.219 1.00 0.00 C ATOM 189 C LEU A 14 3.586 -3.879 -1.634 1.00 0.00 C ATOM 190 O LEU A 14 2.723 -4.705 -1.929 1.00 0.00 O ATOM 191 CB LEU A 14 4.373 -2.314 -3.471 1.00 0.00 C ATOM 192 CG LEU A 14 3.782 -1.410 -4.572 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.809 -1.240 -5.695 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.513 -2.003 -5.203 1.00 0.00 C ATOM 0 H LEU A 14 4.559 -0.794 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 14 2.443 -2.315 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.341 -1.913 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.554 -3.304 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 14 3.531 -0.461 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.393 -0.601 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.714 -0.782 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.052 -2.215 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.139 -1.327 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.747 -2.968 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.752 -2.135 -4.434 1.00 0.00 H new ATOM 205 N LYS A 15 4.581 -4.152 -0.773 1.00 0.00 N ATOM 206 CA LYS A 15 4.736 -5.443 -0.071 1.00 0.00 C ATOM 207 C LYS A 15 3.466 -5.863 0.700 1.00 0.00 C ATOM 208 O LYS A 15 2.874 -6.879 0.322 1.00 0.00 O ATOM 209 CB LYS A 15 6.000 -5.435 0.823 1.00 0.00 C ATOM 210 CG LYS A 15 7.177 -6.265 0.270 1.00 0.00 C ATOM 211 CD LYS A 15 8.488 -5.469 0.164 1.00 0.00 C ATOM 212 CE LYS A 15 8.445 -4.509 -1.036 1.00 0.00 C ATOM 213 NZ LYS A 15 9.682 -3.686 -1.124 1.00 0.00 N ATOM 0 H LYS A 15 5.310 -3.477 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 15 4.876 -6.211 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.329 -4.405 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.735 -5.815 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.337 -7.130 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.911 -6.647 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.652 -4.905 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.328 -6.155 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.322 -5.081 -1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.578 -3.855 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.618 -3.050 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.786 -3.122 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.507 -4.310 -1.233 1.00 0.00 H new ATOM 223 N PRO A 16 2.989 -5.108 1.712 1.00 0.00 N ATOM 224 CA PRO A 16 1.786 -5.480 2.453 1.00 0.00 C ATOM 225 C PRO A 16 0.499 -5.387 1.616 1.00 0.00 C ATOM 226 O PRO A 16 -0.371 -6.238 1.796 1.00 0.00 O ATOM 227 CB PRO A 16 1.771 -4.579 3.694 1.00 0.00 C ATOM 228 CG PRO A 16 2.551 -3.338 3.258 1.00 0.00 C ATOM 229 CD PRO A 16 3.604 -3.939 2.327 1.00 0.00 C ATOM 0 HA PRO A 16 1.813 -6.532 2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.753 -4.327 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.242 -5.067 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.916 -2.616 2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.002 -2.821 4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.910 -3.217 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.500 -4.218 2.882 1.00 0.00 H new ATOM 234 N CYS A 17 0.376 -4.445 0.663 1.00 0.00 N ATOM 235 CA CYS A 17 -0.785 -4.401 -0.240 1.00 0.00 C ATOM 236 C CYS A 17 -0.924 -5.668 -1.098 1.00 0.00 C ATOM 237 O CYS A 17 -2.015 -6.242 -1.161 1.00 0.00 O ATOM 238 CB CYS A 17 -0.722 -3.181 -1.167 1.00 0.00 C ATOM 239 SG CYS A 17 -1.092 -1.602 -0.373 1.00 0.00 S ATOM 0 H CYS A 17 1.063 -3.709 0.500 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.658 -4.331 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.275 -3.126 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.422 -3.331 -1.989 1.00 0.00 H new ATOM 243 N LYS A 18 0.158 -6.121 -1.753 1.00 0.00 N ATOM 244 CA LYS A 18 0.111 -7.305 -2.626 1.00 0.00 C ATOM 245 C LYS A 18 -0.103 -8.592 -1.829 1.00 0.00 C ATOM 246 O LYS A 18 -0.887 -9.446 -2.244 1.00 0.00 O ATOM 247 CB LYS A 18 1.383 -7.374 -3.495 1.00 0.00 C ATOM 248 CG LYS A 18 1.090 -7.909 -4.911 1.00 0.00 C ATOM 249 CD LYS A 18 1.476 -6.872 -5.979 1.00 0.00 C ATOM 250 CE LYS A 18 0.957 -7.305 -7.357 1.00 0.00 C ATOM 251 NZ LYS A 18 1.733 -6.658 -8.452 1.00 0.00 N ATOM 0 H LYS A 18 1.078 -5.684 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.750 -7.206 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.826 -6.381 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.118 -8.016 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.645 -8.832 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.031 -8.153 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.061 -5.899 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.560 -6.759 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.026 -8.389 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.097 -7.043 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.361 -6.969 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.647 -5.624 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.734 -6.929 -8.375 1.00 0.00 H new ATOM 261 N ASP A 19 0.530 -8.705 -0.660 1.00 0.00 N ATOM 262 CA ASP A 19 0.370 -9.853 0.242 1.00 0.00 C ATOM 263 C ASP A 19 -1.039 -9.931 0.876 1.00 0.00 C ATOM 264 O ASP A 19 -1.555 -11.029 1.096 1.00 0.00 O ATOM 265 CB ASP A 19 1.472 -9.818 1.312 1.00 0.00 C ATOM 266 CG ASP A 19 1.755 -11.226 1.873 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.494 -11.995 1.209 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.261 -11.564 2.976 1.00 0.00 O ATOM 0 H ASP A 19 1.174 -7.997 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 19 0.472 -10.762 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.385 -9.405 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.173 -9.155 2.123 1.00 0.00 H new ATOM 272 N ALA A 20 -1.701 -8.785 1.098 1.00 0.00 N ATOM 273 CA ALA A 20 -3.107 -8.699 1.518 1.00 0.00 C ATOM 274 C ALA A 20 -4.115 -9.126 0.422 1.00 0.00 C ATOM 275 O ALA A 20 -5.277 -9.404 0.733 1.00 0.00 O ATOM 276 CB ALA A 20 -3.393 -7.263 1.982 1.00 0.00 C ATOM 0 H ALA A 20 -1.262 -7.871 0.988 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.248 -9.408 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.433 -7.183 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.740 -7.014 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.209 -6.571 1.160 1.00 0.00 H new ATOM 282 N GLY A 21 -3.691 -9.180 -0.848 1.00 0.00 N ATOM 283 CA GLY A 21 -4.508 -9.599 -1.997 1.00 0.00 C ATOM 284 C GLY A 21 -5.031 -8.451 -2.874 1.00 0.00 C ATOM 285 O GLY A 21 -5.768 -8.712 -3.828 1.00 0.00 O ATOM 0 H GLY A 21 -2.740 -8.925 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.916 -10.271 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.359 -10.172 -1.629 1.00 0.00 H new ATOM 289 N MET A 22 -4.685 -7.193 -2.568 1.00 0.00 N ATOM 290 CA MET A 22 -5.075 -6.007 -3.346 1.00 0.00 C ATOM 291 C MET A 22 -4.185 -5.810 -4.591 1.00 0.00 C ATOM 292 O MET A 22 -3.102 -6.398 -4.707 1.00 0.00 O ATOM 293 CB MET A 22 -5.058 -4.751 -2.446 1.00 0.00 C ATOM 294 CG MET A 22 -6.321 -4.651 -1.578 1.00 0.00 C ATOM 295 SD MET A 22 -6.449 -5.832 -0.203 1.00 0.00 S ATOM 296 CE MET A 22 -8.203 -5.617 0.204 1.00 0.00 C ATOM 0 H MET A 22 -4.113 -6.966 -1.754 1.00 0.00 H new ATOM 0 HA MET A 22 -6.090 -6.167 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.177 -4.776 -1.804 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.973 -3.860 -3.068 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.376 -3.642 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.190 -4.781 -2.223 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.466 -6.270 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.387 -4.580 0.485 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.812 -5.871 -0.664 1.00 0.00 H new ATOM 304 N ARG A 23 -4.651 -4.973 -5.534 1.00 0.00 N ATOM 305 CA ARG A 23 -3.972 -4.693 -6.815 1.00 0.00 C ATOM 306 C ARG A 23 -2.912 -3.599 -6.660 1.00 0.00 C ATOM 307 O ARG A 23 -1.717 -3.874 -6.773 1.00 0.00 O ATOM 308 CB ARG A 23 -5.034 -4.308 -7.869 1.00 0.00 C ATOM 309 CG ARG A 23 -4.440 -3.971 -9.256 1.00 0.00 C ATOM 310 CD ARG A 23 -4.779 -4.993 -10.351 1.00 0.00 C ATOM 311 NE ARG A 23 -4.396 -6.372 -9.983 1.00 0.00 N ATOM 312 CZ ARG A 23 -3.206 -6.932 -10.088 1.00 0.00 C ATOM 313 NH1 ARG A 23 -2.166 -6.284 -10.530 1.00 0.00 N ATOM 314 NH2 ARG A 23 -3.042 -8.176 -9.738 1.00 0.00 N ATOM 0 H ARG A 23 -5.527 -4.461 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.446 -5.588 -7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.741 -5.131 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.598 -3.448 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.802 -2.990 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.356 -3.897 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.849 -4.960 -10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.270 -4.713 -11.273 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.138 -6.960 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.255 -5.307 -10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.263 -6.753 -10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.832 -8.715 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.123 -8.611 -9.818 1.00 0.00 H new ATOM 325 N PHE A 24 -3.362 -2.368 -6.427 1.00 0.00 N ATOM 326 CA PHE A 24 -2.512 -1.191 -6.237 1.00 0.00 C ATOM 327 C PHE A 24 -1.937 -1.138 -4.814 1.00 0.00 C ATOM 328 O PHE A 24 -2.491 -1.732 -3.882 1.00 0.00 O ATOM 329 CB PHE A 24 -3.345 0.070 -6.529 1.00 0.00 C ATOM 330 CG PHE A 24 -3.394 0.473 -7.991 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.402 1.328 -8.514 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.429 0.018 -8.832 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.442 1.723 -9.863 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.468 0.411 -10.184 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.474 1.264 -10.700 1.00 0.00 C ATOM 0 H PHE A 24 -4.357 -2.154 -6.363 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.667 -1.247 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.363 -0.094 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.938 0.900 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.607 1.682 -7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.195 -0.634 -8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.680 2.379 -10.256 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.262 0.057 -10.826 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.504 1.565 -11.737 1.00 0.00 H new ATOM 344 N GLY A 25 -0.861 -0.363 -4.649 1.00 0.00 N ATOM 345 CA GLY A 25 -0.285 -0.037 -3.345 1.00 0.00 C ATOM 346 C GLY A 25 0.603 1.206 -3.411 1.00 0.00 C ATOM 347 O GLY A 25 1.484 1.284 -4.270 1.00 0.00 O ATOM 0 H GLY A 25 -0.360 0.061 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.086 0.127 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.300 -0.883 -2.984 1.00 0.00 H new ATOM 351 N LYS A 26 0.373 2.185 -2.526 1.00 0.00 N ATOM 352 CA LYS A 26 1.170 3.423 -2.421 1.00 0.00 C ATOM 353 C LYS A 26 1.053 4.064 -1.034 1.00 0.00 C ATOM 354 O LYS A 26 0.023 3.943 -0.370 1.00 0.00 O ATOM 355 CB LYS A 26 0.727 4.412 -3.527 1.00 0.00 C ATOM 356 CG LYS A 26 1.951 5.088 -4.164 1.00 0.00 C ATOM 357 CD LYS A 26 1.592 5.880 -5.430 1.00 0.00 C ATOM 358 CE LYS A 26 2.880 6.458 -6.037 1.00 0.00 C ATOM 359 NZ LYS A 26 2.704 6.817 -7.473 1.00 0.00 N ATOM 0 H LYS A 26 -0.387 2.141 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 26 2.221 3.169 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.158 3.882 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.065 5.168 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.411 5.758 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.693 4.329 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.093 5.232 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.896 6.683 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.181 7.343 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.686 5.730 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.595 7.203 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.442 5.968 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.953 7.531 -7.563 1.00 0.00 H new ATOM 369 N CYS A 27 2.097 4.765 -0.596 1.00 0.00 N ATOM 370 CA CYS A 27 2.064 5.562 0.637 1.00 0.00 C ATOM 371 C CYS A 27 1.296 6.876 0.378 1.00 0.00 C ATOM 372 O CYS A 27 1.662 7.636 -0.526 1.00 0.00 O ATOM 373 CB CYS A 27 3.514 5.811 1.091 1.00 0.00 C ATOM 374 SG CYS A 27 3.754 6.421 2.784 1.00 0.00 S ATOM 0 H CYS A 27 2.992 4.799 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 27 1.541 5.035 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.067 4.878 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.965 6.528 0.405 1.00 0.00 H new ATOM 378 N THR A 28 0.238 7.139 1.158 1.00 0.00 N ATOM 379 CA THR A 28 -0.590 8.359 1.087 1.00 0.00 C ATOM 380 C THR A 28 -1.068 8.755 2.490 1.00 0.00 C ATOM 381 O THR A 28 -1.250 7.890 3.345 1.00 0.00 O ATOM 382 CB THR A 28 -1.787 8.154 0.134 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.260 9.412 -0.278 1.00 0.00 O ATOM 384 CG2 THR A 28 -2.980 7.413 0.751 1.00 0.00 C ATOM 0 H THR A 28 -0.078 6.491 1.879 1.00 0.00 H new ATOM 0 HA THR A 28 0.019 9.170 0.688 1.00 0.00 H new ATOM 0 HB THR A 28 -1.406 7.541 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.020 9.293 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.772 7.316 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.664 6.422 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.353 7.974 1.608 1.00 0.00 H new ATOM 392 N ASN A 29 -1.277 10.045 2.770 1.00 0.00 N ATOM 393 CA ASN A 29 -1.669 10.542 4.104 1.00 0.00 C ATOM 394 C ASN A 29 -0.780 9.985 5.261 1.00 0.00 C ATOM 395 O ASN A 29 -1.257 9.719 6.368 1.00 0.00 O ATOM 396 CB ASN A 29 -3.186 10.271 4.251 1.00 0.00 C ATOM 397 CG ASN A 29 -3.834 10.946 5.448 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.397 11.978 5.943 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.919 10.392 5.944 1.00 0.00 N ATOM 0 H ASN A 29 -1.179 10.785 2.075 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.490 11.614 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.691 10.604 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.344 9.195 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.394 10.822 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.286 9.533 5.535 1.00 0.00 H new ATOM 405 N GLY A 30 0.512 9.737 4.981 1.00 0.00 N ATOM 406 CA GLY A 30 1.495 9.137 5.905 1.00 0.00 C ATOM 407 C GLY A 30 1.288 7.647 6.234 1.00 0.00 C ATOM 408 O GLY A 30 1.845 7.158 7.224 1.00 0.00 O ATOM 0 H GLY A 30 0.917 9.957 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.489 9.259 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.479 9.701 6.838 1.00 0.00 H new ATOM 412 N LYS A 31 0.483 6.930 5.437 1.00 0.00 N ATOM 413 CA LYS A 31 0.024 5.551 5.685 1.00 0.00 C ATOM 414 C LYS A 31 -0.099 4.755 4.380 1.00 0.00 C ATOM 415 O LYS A 31 -0.197 5.311 3.289 1.00 0.00 O ATOM 416 CB LYS A 31 -1.325 5.627 6.439 1.00 0.00 C ATOM 417 CG LYS A 31 -1.258 4.965 7.829 1.00 0.00 C ATOM 418 CD LYS A 31 -2.309 5.494 8.822 1.00 0.00 C ATOM 419 CE LYS A 31 -3.766 5.375 8.331 1.00 0.00 C ATOM 420 NZ LYS A 31 -4.334 6.685 7.897 1.00 0.00 N ATOM 0 H LYS A 31 0.117 7.309 4.564 1.00 0.00 H new ATOM 0 HA LYS A 31 0.756 5.019 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.618 6.671 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.098 5.141 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.389 3.889 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.264 5.122 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.209 4.950 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.095 6.541 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.809 4.671 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.382 4.963 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.314 6.549 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.320 7.351 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.764 7.069 7.116 1.00 0.00 H new ATOM 430 N CYS A 32 -0.060 3.434 4.466 1.00 0.00 N ATOM 431 CA CYS A 32 -0.189 2.562 3.306 1.00 0.00 C ATOM 432 C CYS A 32 -1.648 2.519 2.818 1.00 0.00 C ATOM 433 O CYS A 32 -2.575 2.344 3.610 1.00 0.00 O ATOM 434 CB CYS A 32 0.351 1.183 3.685 1.00 0.00 C ATOM 435 SG CYS A 32 0.389 -0.023 2.339 1.00 0.00 S ATOM 0 H CYS A 32 0.063 2.933 5.346 1.00 0.00 H new ATOM 0 HA CYS A 32 0.394 2.944 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.362 1.301 4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.258 0.781 4.495 1.00 0.00 H new ATOM 439 N HIS A 33 -1.841 2.652 1.506 1.00 0.00 N ATOM 440 CA HIS A 33 -3.132 2.624 0.815 1.00 0.00 C ATOM 441 C HIS A 33 -3.071 1.608 -0.332 1.00 0.00 C ATOM 442 O HIS A 33 -2.112 1.575 -1.099 1.00 0.00 O ATOM 443 CB HIS A 33 -3.466 4.042 0.317 1.00 0.00 C ATOM 444 CG HIS A 33 -4.235 4.122 -0.981 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.566 3.825 -1.168 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.725 4.488 -2.201 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.853 4.014 -2.467 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.761 4.420 -3.140 1.00 0.00 N ATOM 0 H HIS A 33 -1.062 2.789 0.862 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.927 2.311 1.492 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.042 4.551 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.533 4.594 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.704 4.778 -2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.826 3.861 -2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.700 4.635 -4.135 1.00 0.00 H new ATOM 456 N CYS A 34 -4.133 0.813 -0.450 1.00 0.00 N ATOM 457 CA CYS A 34 -4.323 -0.193 -1.492 1.00 0.00 C ATOM 458 C CYS A 34 -5.754 -0.085 -2.048 1.00 0.00 C ATOM 459 O CYS A 34 -6.644 0.451 -1.381 1.00 0.00 O ATOM 460 CB CYS A 34 -4.110 -1.607 -0.918 1.00 0.00 C ATOM 461 SG CYS A 34 -2.935 -1.846 0.442 1.00 0.00 S ATOM 0 H CYS A 34 -4.915 0.854 0.204 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.598 -0.019 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.080 -1.973 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.795 -2.250 -1.740 1.00 0.00 H new ATOM 465 N THR A 35 -5.994 -0.670 -3.223 1.00 0.00 N ATOM 466 CA THR A 35 -7.319 -0.705 -3.876 1.00 0.00 C ATOM 467 C THR A 35 -7.516 -2.010 -4.664 1.00 0.00 C ATOM 468 O THR A 35 -6.532 -2.678 -5.008 1.00 0.00 O ATOM 469 CB THR A 35 -7.546 0.513 -4.811 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.343 1.118 -5.234 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.370 1.607 -4.126 1.00 0.00 C ATOM 0 H THR A 35 -5.268 -1.142 -3.762 1.00 0.00 H new ATOM 0 HA THR A 35 -8.058 -0.657 -3.076 1.00 0.00 H new ATOM 0 HB THR A 35 -8.074 0.102 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.547 1.876 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.507 2.443 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.343 1.206 -3.843 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.847 1.952 -3.234 1.00 0.00 H new ATOM 479 N PRO A 36 -8.774 -2.411 -4.935 1.00 0.00 N ATOM 480 CA PRO A 36 -9.079 -3.644 -5.657 1.00 0.00 C ATOM 481 C PRO A 36 -8.736 -3.556 -7.160 1.00 0.00 C ATOM 482 O PRO A 36 -8.461 -2.482 -7.704 1.00 0.00 O ATOM 483 CB PRO A 36 -10.573 -3.895 -5.413 1.00 0.00 C ATOM 484 CG PRO A 36 -11.147 -2.488 -5.249 1.00 0.00 C ATOM 485 CD PRO A 36 -10.016 -1.752 -4.537 1.00 0.00 C ATOM 0 HA PRO A 36 -8.469 -4.473 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.034 -4.422 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.738 -4.503 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.386 -2.033 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.064 -2.490 -4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.003 -0.699 -4.817 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.147 -1.793 -3.456 1.00 0.00 H new ATOM 490 N LYS A 37 -8.769 -4.716 -7.813 1.00 0.00 N ATOM 491 CA LYS A 37 -8.537 -4.924 -9.257 1.00 0.00 C ATOM 492 C LYS A 37 -9.710 -4.498 -10.161 1.00 0.00 C ATOM 493 O LYS A 37 -10.826 -4.269 -9.641 1.00 0.00 O ATOM 494 CB LYS A 37 -8.141 -6.402 -9.475 1.00 0.00 C ATOM 495 CG LYS A 37 -9.246 -7.407 -9.051 1.00 0.00 C ATOM 496 CD LYS A 37 -8.699 -8.851 -9.052 1.00 0.00 C ATOM 497 CE LYS A 37 -9.646 -9.803 -8.296 1.00 0.00 C ATOM 498 NZ LYS A 37 -9.516 -9.693 -6.806 1.00 0.00 N ATOM 0 H LYS A 37 -8.969 -5.591 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.726 -4.263 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.906 -6.556 -10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.232 -6.614 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.614 -7.153 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.093 -7.333 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.575 -9.196 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.713 -8.870 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.675 -9.587 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.439 -10.829 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.176 -10.355 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.542 -9.925 -6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.740 -8.722 -6.509 1.00 0.00 H new