USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 283 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HE2:sc= -2.45! C(o=-2.5!,f=-4.5!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.125 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 70:sc= 0.0625 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0287 (180deg=-0.212) USER MOD Single : A 34 ASN : amide:sc= 1.07 K(o=1.1,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.854 -0.683 4.488 1.00 0.00 N ATOM 2 CA GLY A 1 -8.624 -1.011 5.198 1.00 0.00 C ATOM 3 C GLY A 1 -7.636 -1.650 4.270 1.00 0.00 C ATOM 4 O GLY A 1 -8.006 -2.065 3.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.863 0.332 4.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.906 -1.236 3.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.672 -0.910 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.194 -0.107 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.844 -1.686 6.025 1.00 0.00 H new ATOM 10 N ILE A 2 -6.381 -1.730 4.689 1.00 0.00 N ATOM 11 CA ILE A 2 -5.358 -2.329 3.892 1.00 0.00 C ATOM 12 C ILE A 2 -5.582 -3.810 3.725 1.00 0.00 C ATOM 13 O ILE A 2 -5.693 -4.563 4.689 1.00 0.00 O ATOM 14 CB ILE A 2 -3.949 -2.047 4.440 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.842 -2.419 5.929 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.601 -0.595 4.221 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.481 -2.170 6.525 1.00 0.00 C ATOM 0 H ILE A 2 -6.059 -1.378 5.591 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.421 -1.864 2.908 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.235 -2.669 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.583 -1.849 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.093 -3.473 6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.602 -0.398 4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.626 -0.372 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.324 0.035 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.486 -2.457 7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.736 -2.761 5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.234 -1.112 6.439 1.00 0.00 H new ATOM 29 N THR A 3 -5.664 -4.194 2.518 1.00 0.00 N ATOM 30 CA THR A 3 -5.884 -5.535 2.137 1.00 0.00 C ATOM 31 C THR A 3 -4.737 -5.892 1.250 1.00 0.00 C ATOM 32 O THR A 3 -4.239 -5.016 0.560 1.00 0.00 O ATOM 33 CB THR A 3 -7.183 -5.590 1.322 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.271 -5.082 2.124 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.506 -6.998 0.837 1.00 0.00 C ATOM 0 H THR A 3 -5.576 -3.556 1.727 1.00 0.00 H new ATOM 0 HA THR A 3 -5.961 -6.209 2.990 1.00 0.00 H new ATOM 0 HB THR A 3 -7.046 -4.971 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.162 -4.116 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.434 -6.982 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.696 -7.359 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.619 -7.661 1.695 1.00 0.00 H new ATOM 43 N CYS A 4 -4.273 -7.102 1.307 1.00 0.00 N ATOM 44 CA CYS A 4 -3.245 -7.505 0.411 1.00 0.00 C ATOM 45 C CYS A 4 -3.642 -8.752 -0.284 1.00 0.00 C ATOM 46 O CYS A 4 -3.321 -9.865 0.143 1.00 0.00 O ATOM 47 CB CYS A 4 -1.896 -7.667 1.079 1.00 0.00 C ATOM 48 SG CYS A 4 -1.325 -6.172 1.965 1.00 0.00 S ATOM 0 H CYS A 4 -4.589 -7.819 1.960 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.124 -6.702 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.947 -8.498 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.157 -7.935 0.324 1.00 0.00 H new ATOM 53 N ASP A 5 -4.409 -8.581 -1.299 1.00 0.00 N ATOM 54 CA ASP A 5 -4.822 -9.674 -2.120 1.00 0.00 C ATOM 55 C ASP A 5 -3.844 -9.725 -3.248 1.00 0.00 C ATOM 56 O ASP A 5 -3.514 -10.781 -3.776 1.00 0.00 O ATOM 57 CB ASP A 5 -6.240 -9.455 -2.633 1.00 0.00 C ATOM 58 CG ASP A 5 -6.784 -10.642 -3.400 1.00 0.00 C ATOM 59 OD1 ASP A 5 -6.943 -11.730 -2.801 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.150 -10.487 -4.586 1.00 0.00 O ATOM 0 H ASP A 5 -4.774 -7.674 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.836 -10.612 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.897 -9.243 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.255 -8.576 -3.277 1.00 0.00 H new ATOM 65 N LEU A 6 -3.342 -8.558 -3.580 1.00 0.00 N ATOM 66 CA LEU A 6 -2.331 -8.408 -4.539 1.00 0.00 C ATOM 67 C LEU A 6 -1.048 -7.960 -3.859 1.00 0.00 C ATOM 68 O LEU A 6 -1.055 -7.287 -2.834 1.00 0.00 O ATOM 69 CB LEU A 6 -2.755 -7.389 -5.589 1.00 0.00 C ATOM 70 CG LEU A 6 -4.013 -7.734 -6.377 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.364 -6.614 -7.328 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.830 -9.038 -7.129 1.00 0.00 C ATOM 0 H LEU A 6 -3.650 -7.678 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.158 -9.364 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.910 -6.430 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.933 -7.257 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.837 -7.859 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.265 -6.877 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.540 -5.699 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.541 -6.457 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.739 -9.268 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.994 -8.944 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.626 -9.841 -6.421 1.00 0.00 H new ATOM 84 N ILE A 7 0.012 -8.383 -4.406 1.00 0.00 N ATOM 85 CA ILE A 7 1.337 -8.018 -4.013 1.00 0.00 C ATOM 86 C ILE A 7 1.823 -7.009 -5.046 1.00 0.00 C ATOM 87 O ILE A 7 1.690 -7.249 -6.254 1.00 0.00 O ATOM 88 CB ILE A 7 2.269 -9.273 -4.008 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.743 -10.321 -3.007 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.718 -8.900 -3.692 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.536 -11.615 -2.980 1.00 0.00 C ATOM 0 H ILE A 7 -0.003 -9.035 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 7 1.349 -7.599 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 7 2.257 -9.704 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.747 -9.886 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.706 -10.550 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.335 -9.799 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.086 -8.202 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.767 -8.433 -2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.098 -12.295 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.511 -12.078 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.569 -11.403 -2.705 1.00 0.00 H new ATOM 103 N GLY A 8 2.296 -5.866 -4.598 1.00 0.00 N ATOM 104 CA GLY A 8 2.765 -4.825 -5.514 1.00 0.00 C ATOM 105 C GLY A 8 1.640 -3.993 -6.142 1.00 0.00 C ATOM 106 O GLY A 8 1.651 -2.772 -6.081 1.00 0.00 O ATOM 0 H GLY A 8 2.370 -5.626 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.439 -4.158 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.346 -5.291 -6.310 1.00 0.00 H new ATOM 110 N ASN A 9 0.629 -4.674 -6.646 1.00 0.00 N ATOM 111 CA ASN A 9 -0.479 -4.069 -7.423 1.00 0.00 C ATOM 112 C ASN A 9 -1.634 -3.773 -6.534 1.00 0.00 C ATOM 113 O ASN A 9 -2.773 -3.558 -6.979 1.00 0.00 O ATOM 114 CB ASN A 9 -0.950 -5.052 -8.494 1.00 0.00 C ATOM 115 CG ASN A 9 0.018 -5.203 -9.645 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.073 -4.483 -10.639 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.938 -6.129 -9.541 1.00 0.00 N ATOM 0 H ASN A 9 0.537 -5.684 -6.535 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.114 -3.148 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.110 -6.027 -8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.913 -4.720 -8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.607 -6.271 -10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.986 -6.709 -8.703 1.00 0.00 H new ATOM 124 N GLU A 10 -1.358 -3.708 -5.300 1.00 0.00 N ATOM 125 CA GLU A 10 -2.364 -3.607 -4.363 1.00 0.00 C ATOM 126 C GLU A 10 -2.713 -2.168 -4.059 1.00 0.00 C ATOM 127 O GLU A 10 -2.216 -1.550 -3.104 1.00 0.00 O ATOM 128 CB GLU A 10 -2.046 -4.412 -3.146 1.00 0.00 C ATOM 129 CG GLU A 10 -3.152 -4.407 -2.176 1.00 0.00 C ATOM 130 CD GLU A 10 -4.406 -5.030 -2.756 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.202 -4.301 -3.408 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.592 -6.252 -2.615 1.00 0.00 O ATOM 0 H GLU A 10 -0.413 -3.724 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.269 -4.039 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.825 -5.439 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.148 -4.015 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.854 -4.953 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.363 -3.383 -1.869 1.00 0.00 H new ATOM 139 N ARG A 11 -3.526 -1.646 -4.921 1.00 0.00 N ATOM 140 CA ARG A 11 -4.045 -0.285 -4.852 1.00 0.00 C ATOM 141 C ARG A 11 -4.758 0.002 -3.526 1.00 0.00 C ATOM 142 O ARG A 11 -4.746 1.143 -3.044 1.00 0.00 O ATOM 143 CB ARG A 11 -4.954 -0.025 -6.041 1.00 0.00 C ATOM 144 CG ARG A 11 -5.497 1.390 -6.137 1.00 0.00 C ATOM 145 CD ARG A 11 -6.135 1.612 -7.488 1.00 0.00 C ATOM 146 NE ARG A 11 -5.137 1.504 -8.565 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.399 1.255 -9.851 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.640 1.004 -10.241 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.409 1.242 -10.739 1.00 0.00 N ATOM 0 H ARG A 11 -3.870 -2.163 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.200 0.402 -4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.405 -0.250 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.794 -0.718 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.229 1.561 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.691 2.108 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.927 0.879 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.602 2.597 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.159 1.631 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.398 1.001 -9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.837 0.814 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.451 1.422 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.607 1.052 -11.721 1.00 0.00 H new ATOM 163 N LEU A 12 -5.327 -1.035 -2.918 1.00 0.00 N ATOM 164 CA LEU A 12 -6.001 -0.906 -1.615 1.00 0.00 C ATOM 165 C LEU A 12 -4.995 -0.532 -0.527 1.00 0.00 C ATOM 166 O LEU A 12 -5.342 0.082 0.493 1.00 0.00 O ATOM 167 CB LEU A 12 -6.717 -2.205 -1.241 1.00 0.00 C ATOM 168 CG LEU A 12 -7.831 -2.658 -2.187 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.399 -3.983 -1.735 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.933 -1.614 -2.266 1.00 0.00 C ATOM 0 H LEU A 12 -5.338 -1.980 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.744 -0.113 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.974 -3.000 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.141 -2.088 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.402 -2.780 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.190 -4.292 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.610 -4.735 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.807 -3.880 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.713 -1.959 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.358 -1.457 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.519 -0.676 -2.636 1.00 0.00 H new ATOM 182 N CYS A 13 -3.759 -0.893 -0.759 1.00 0.00 N ATOM 183 CA CYS A 13 -2.671 -0.553 0.117 1.00 0.00 C ATOM 184 C CYS A 13 -2.135 0.822 -0.280 1.00 0.00 C ATOM 185 O CYS A 13 -1.985 1.714 0.556 1.00 0.00 O ATOM 186 CB CYS A 13 -1.586 -1.637 0.021 1.00 0.00 C ATOM 187 SG CYS A 13 0.001 -1.258 0.854 1.00 0.00 S ATOM 0 H CYS A 13 -3.478 -1.439 -1.573 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.005 -0.506 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.984 -2.560 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.384 -1.829 -1.033 1.00 0.00 H new ATOM 192 N VAL A 14 -1.956 1.009 -1.591 1.00 0.00 N ATOM 193 CA VAL A 14 -1.431 2.254 -2.169 1.00 0.00 C ATOM 194 C VAL A 14 -2.195 3.480 -1.668 1.00 0.00 C ATOM 195 O VAL A 14 -1.591 4.466 -1.251 1.00 0.00 O ATOM 196 CB VAL A 14 -1.515 2.235 -3.712 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.898 3.492 -4.308 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.859 0.995 -4.272 1.00 0.00 C ATOM 0 H VAL A 14 -2.172 0.296 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.390 2.320 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.569 2.215 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.970 3.453 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.431 4.369 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.150 3.556 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.931 1.005 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.190 0.974 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.362 0.110 -3.883 1.00 0.00 H new ATOM 208 N VAL A 15 -3.512 3.391 -1.676 1.00 0.00 N ATOM 209 CA VAL A 15 -4.365 4.499 -1.278 1.00 0.00 C ATOM 210 C VAL A 15 -4.174 4.869 0.218 1.00 0.00 C ATOM 211 O VAL A 15 -4.319 6.037 0.610 1.00 0.00 O ATOM 212 CB VAL A 15 -5.852 4.213 -1.629 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.413 3.046 -0.848 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.715 5.450 -1.487 1.00 0.00 C ATOM 0 H VAL A 15 -4.021 2.553 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.060 5.374 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.872 3.925 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.454 2.887 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.836 2.148 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.354 3.260 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.746 5.205 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.671 5.809 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.350 6.227 -2.158 1.00 0.00 H new ATOM 224 N HIS A 16 -3.761 3.896 1.018 1.00 0.00 N ATOM 225 CA HIS A 16 -3.489 4.128 2.436 1.00 0.00 C ATOM 226 C HIS A 16 -2.189 4.909 2.555 1.00 0.00 C ATOM 227 O HIS A 16 -2.065 5.858 3.336 1.00 0.00 O ATOM 228 CB HIS A 16 -3.410 2.786 3.195 1.00 0.00 C ATOM 229 CG HIS A 16 -2.953 2.876 4.625 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.714 3.377 5.658 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.773 2.501 5.175 1.00 0.00 C ATOM 232 CE1 HIS A 16 -2.992 3.297 6.773 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.802 2.766 6.536 1.00 0.00 N ATOM 0 H HIS A 16 -3.606 2.936 0.712 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.297 4.706 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.395 2.319 3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.732 2.123 2.656 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.663 3.744 5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.943 2.065 4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.332 3.623 7.745 1.00 0.00 H new ATOM 241 N CYS A 17 -1.251 4.535 1.735 1.00 0.00 N ATOM 242 CA CYS A 17 0.026 5.187 1.668 1.00 0.00 C ATOM 243 C CYS A 17 -0.130 6.600 1.131 1.00 0.00 C ATOM 244 O CYS A 17 0.530 7.525 1.598 1.00 0.00 O ATOM 245 CB CYS A 17 0.943 4.361 0.806 1.00 0.00 C ATOM 246 SG CYS A 17 1.093 2.655 1.406 1.00 0.00 S ATOM 0 H CYS A 17 -1.352 3.757 1.084 1.00 0.00 H new ATOM 0 HA CYS A 17 0.460 5.270 2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.568 4.353 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.930 4.824 0.780 1.00 0.00 H new ATOM 251 N LEU A 18 -1.046 6.781 0.195 1.00 0.00 N ATOM 252 CA LEU A 18 -1.321 8.102 -0.344 1.00 0.00 C ATOM 253 C LEU A 18 -1.999 8.959 0.725 1.00 0.00 C ATOM 254 O LEU A 18 -1.753 10.157 0.813 1.00 0.00 O ATOM 255 CB LEU A 18 -2.208 8.001 -1.594 1.00 0.00 C ATOM 256 CG LEU A 18 -1.642 7.177 -2.762 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.637 7.106 -3.907 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.322 7.753 -3.246 1.00 0.00 C ATOM 0 H LEU A 18 -1.610 6.032 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.381 8.570 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.165 7.569 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.411 9.010 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.462 6.166 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.213 6.518 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.557 6.636 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.855 8.113 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.056 7.151 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.474 8.778 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.400 7.743 -2.430 1.00 0.00 H new ATOM 270 N ALA A 19 -2.790 8.313 1.581 1.00 0.00 N ATOM 271 CA ALA A 19 -3.433 8.991 2.700 1.00 0.00 C ATOM 272 C ALA A 19 -2.395 9.431 3.733 1.00 0.00 C ATOM 273 O ALA A 19 -2.520 10.493 4.347 1.00 0.00 O ATOM 274 CB ALA A 19 -4.480 8.092 3.347 1.00 0.00 C ATOM 0 H ALA A 19 -3.000 7.317 1.518 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.934 9.879 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.947 8.618 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.240 7.831 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.003 7.183 3.714 1.00 0.00 H new ATOM 280 N LYS A 20 -1.384 8.611 3.934 1.00 0.00 N ATOM 281 CA LYS A 20 -0.306 8.945 4.855 1.00 0.00 C ATOM 282 C LYS A 20 0.604 10.037 4.302 1.00 0.00 C ATOM 283 O LYS A 20 1.047 10.922 5.040 1.00 0.00 O ATOM 284 CB LYS A 20 0.508 7.707 5.242 1.00 0.00 C ATOM 285 CG LYS A 20 -0.205 6.777 6.207 1.00 0.00 C ATOM 286 CD LYS A 20 0.671 5.593 6.590 1.00 0.00 C ATOM 287 CE LYS A 20 0.089 4.849 7.775 1.00 0.00 C ATOM 288 NZ LYS A 20 0.881 3.657 8.142 1.00 0.00 N ATOM 0 H LYS A 20 -1.282 7.707 3.474 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.778 9.336 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.759 7.153 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.448 8.028 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.486 7.328 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.128 6.416 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.765 4.916 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.675 5.942 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.034 5.522 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.932 4.545 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.440 3.185 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.912 3.000 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.849 3.946 8.391 1.00 0.00 H new ATOM 302 N GLY A 21 0.851 9.994 3.021 1.00 0.00 N ATOM 303 CA GLY A 21 1.720 10.970 2.401 1.00 0.00 C ATOM 304 C GLY A 21 2.920 10.297 1.803 1.00 0.00 C ATOM 305 O GLY A 21 4.066 10.641 2.098 1.00 0.00 O ATOM 0 H GLY A 21 0.466 9.297 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.176 11.511 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.038 11.705 3.141 1.00 0.00 H new ATOM 309 N PHE A 22 2.653 9.313 0.995 1.00 0.00 N ATOM 310 CA PHE A 22 3.664 8.518 0.363 1.00 0.00 C ATOM 311 C PHE A 22 3.534 8.545 -1.116 1.00 0.00 C ATOM 312 O PHE A 22 2.484 8.928 -1.641 1.00 0.00 O ATOM 313 CB PHE A 22 3.586 7.080 0.869 1.00 0.00 C ATOM 314 CG PHE A 22 4.342 6.890 2.100 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.679 6.688 2.013 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.735 6.909 3.334 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.430 6.508 3.110 1.00 0.00 C ATOM 318 CE2 PHE A 22 4.481 6.725 4.470 1.00 0.00 C ATOM 319 CZ PHE A 22 5.842 6.522 4.361 1.00 0.00 C ATOM 0 H PHE A 22 1.702 9.035 0.751 1.00 0.00 H new ATOM 0 HA PHE A 22 4.635 8.942 0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.543 6.812 1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.967 6.405 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.150 6.672 1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.670 7.069 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.495 6.352 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.008 6.739 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.443 6.375 5.246 1.00 0.00 H new ATOM 329 N ARG A 23 4.604 8.137 -1.799 1.00 0.00 N ATOM 330 CA ARG A 23 4.584 8.007 -3.249 1.00 0.00 C ATOM 331 C ARG A 23 3.602 6.931 -3.607 1.00 0.00 C ATOM 332 O ARG A 23 2.952 6.986 -4.649 1.00 0.00 O ATOM 333 CB ARG A 23 5.954 7.625 -3.818 1.00 0.00 C ATOM 334 CG ARG A 23 7.063 8.600 -3.523 1.00 0.00 C ATOM 335 CD ARG A 23 8.370 8.134 -4.123 1.00 0.00 C ATOM 336 NE ARG A 23 9.494 8.944 -3.658 1.00 0.00 N ATOM 337 CZ ARG A 23 10.783 8.632 -3.810 1.00 0.00 C ATOM 338 NH1 ARG A 23 11.138 7.587 -4.553 1.00 0.00 N ATOM 339 NH2 ARG A 23 11.713 9.388 -3.236 1.00 0.00 N ATOM 0 H ARG A 23 5.495 7.891 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 23 4.305 8.972 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.235 6.649 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.864 7.517 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.805 9.581 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.174 8.714 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.540 7.090 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.310 8.184 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 23 9.276 9.818 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.424 7.020 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.124 7.353 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.440 10.201 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.700 9.155 -3.348 1.00 0.00 H new ATOM 353 N GLY A 24 3.448 5.991 -2.699 1.00 0.00 N ATOM 354 CA GLY A 24 2.565 4.903 -2.908 1.00 0.00 C ATOM 355 C GLY A 24 2.901 3.798 -1.982 1.00 0.00 C ATOM 356 O GLY A 24 3.727 3.986 -1.063 1.00 0.00 O ATOM 0 H GLY A 24 3.937 5.974 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.535 5.223 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.635 4.559 -3.940 1.00 0.00 H new ATOM 360 N GLY A 25 2.301 2.674 -2.182 1.00 0.00 N ATOM 361 CA GLY A 25 2.507 1.583 -1.303 1.00 0.00 C ATOM 362 C GLY A 25 2.401 0.293 -2.012 1.00 0.00 C ATOM 363 O GLY A 25 1.919 0.241 -3.140 1.00 0.00 O ATOM 0 H GLY A 25 1.660 2.490 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.491 1.666 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.773 1.619 -0.498 1.00 0.00 H new ATOM 367 N TRP A 26 2.827 -0.739 -1.382 1.00 0.00 N ATOM 368 CA TRP A 26 2.814 -2.020 -1.980 1.00 0.00 C ATOM 369 C TRP A 26 2.746 -3.069 -0.905 1.00 0.00 C ATOM 370 O TRP A 26 3.404 -2.959 0.140 1.00 0.00 O ATOM 371 CB TRP A 26 4.079 -2.242 -2.873 1.00 0.00 C ATOM 372 CG TRP A 26 5.383 -2.465 -2.130 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.100 -3.627 -2.081 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.107 -1.526 -1.317 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.218 -3.458 -1.303 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.242 -2.186 -0.824 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.905 -0.201 -0.965 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.167 -1.562 -0.001 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.816 0.420 -0.145 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.937 -0.260 0.330 1.00 0.00 C ATOM 0 H TRP A 26 3.196 -0.718 -0.432 1.00 0.00 H new ATOM 0 HA TRP A 26 1.937 -2.095 -2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.899 -3.102 -3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.197 -1.376 -3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.827 -4.544 -2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.920 -4.174 -1.114 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.043 0.337 -1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.037 -2.088 0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.661 1.451 0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.636 0.255 0.972 1.00 0.00 H new ATOM 391 N CYS A 27 1.907 -4.021 -1.101 1.00 0.00 N ATOM 392 CA CYS A 27 1.920 -5.161 -0.258 1.00 0.00 C ATOM 393 C CYS A 27 3.017 -6.038 -0.732 1.00 0.00 C ATOM 394 O CYS A 27 3.106 -6.316 -1.933 1.00 0.00 O ATOM 395 CB CYS A 27 0.600 -5.887 -0.288 1.00 0.00 C ATOM 396 SG CYS A 27 -0.744 -4.952 0.469 1.00 0.00 S ATOM 0 H CYS A 27 1.202 -4.034 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 27 2.081 -4.862 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.340 -6.112 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.706 -6.841 0.228 1.00 0.00 H new ATOM 401 N ASP A 28 3.884 -6.414 0.153 1.00 0.00 N ATOM 402 CA ASP A 28 5.021 -7.225 -0.233 1.00 0.00 C ATOM 403 C ASP A 28 4.679 -8.700 -0.057 1.00 0.00 C ATOM 404 O ASP A 28 3.521 -9.052 0.226 1.00 0.00 O ATOM 405 CB ASP A 28 6.269 -6.864 0.589 1.00 0.00 C ATOM 406 CG ASP A 28 6.222 -7.404 1.991 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.493 -6.852 2.832 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.911 -8.400 2.264 1.00 0.00 O ATOM 0 H ASP A 28 3.838 -6.180 1.145 1.00 0.00 H new ATOM 0 HA ASP A 28 5.247 -7.027 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.154 -7.252 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.372 -5.780 0.626 1.00 0.00 H new ATOM 413 N SER A 29 5.673 -9.546 -0.202 1.00 0.00 N ATOM 414 CA SER A 29 5.528 -10.980 -0.100 1.00 0.00 C ATOM 415 C SER A 29 5.019 -11.424 1.292 1.00 0.00 C ATOM 416 O SER A 29 4.375 -12.473 1.424 1.00 0.00 O ATOM 417 CB SER A 29 6.866 -11.605 -0.406 1.00 0.00 C ATOM 418 OG SER A 29 7.348 -11.118 -1.642 1.00 0.00 O ATOM 0 H SER A 29 6.629 -9.248 -0.399 1.00 0.00 H new ATOM 0 HA SER A 29 4.776 -11.312 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.576 -11.375 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.771 -12.690 -0.444 1.00 0.00 H new ATOM 0 HG SER A 29 8.218 -11.525 -1.837 1.00 0.00 H new ATOM 424 N ARG A 30 5.272 -10.612 2.315 1.00 0.00 N ATOM 425 CA ARG A 30 4.810 -10.899 3.672 1.00 0.00 C ATOM 426 C ARG A 30 3.318 -10.605 3.818 1.00 0.00 C ATOM 427 O ARG A 30 2.735 -10.893 4.867 1.00 0.00 O ATOM 428 CB ARG A 30 5.558 -10.043 4.687 1.00 0.00 C ATOM 429 CG ARG A 30 7.049 -10.289 4.790 1.00 0.00 C ATOM 430 CD ARG A 30 7.680 -9.277 5.732 1.00 0.00 C ATOM 431 NE ARG A 30 7.073 -9.317 7.072 1.00 0.00 N ATOM 432 CZ ARG A 30 7.058 -8.312 7.964 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.531 -7.104 7.651 1.00 0.00 N ATOM 434 NH2 ARG A 30 6.515 -8.517 9.151 1.00 0.00 N ATOM 0 H ARG A 30 5.799 -9.743 2.229 1.00 0.00 H new ATOM 0 HA ARG A 30 4.999 -11.956 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.399 -8.994 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.114 -10.207 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.235 -11.300 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.507 -10.215 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.749 -9.474 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.571 -8.276 5.314 1.00 0.00 H new ATOM 0 HE ARG A 30 6.622 -10.189 7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.913 -6.931 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.511 -6.354 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.115 -9.427 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.495 -7.765 9.840 1.00 0.00 H new ATOM 448 N LYS A 31 2.717 -10.019 2.764 1.00 0.00 N ATOM 449 CA LYS A 31 1.307 -9.592 2.750 1.00 0.00 C ATOM 450 C LYS A 31 1.110 -8.403 3.671 1.00 0.00 C ATOM 451 O LYS A 31 0.023 -8.150 4.178 1.00 0.00 O ATOM 452 CB LYS A 31 0.326 -10.744 3.076 1.00 0.00 C ATOM 453 CG LYS A 31 0.221 -11.814 1.991 1.00 0.00 C ATOM 454 CD LYS A 31 -0.345 -11.240 0.693 1.00 0.00 C ATOM 455 CE LYS A 31 -0.552 -12.318 -0.365 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.545 -13.338 0.050 1.00 0.00 N ATOM 0 H LYS A 31 3.204 -9.827 1.889 1.00 0.00 H new ATOM 0 HA LYS A 31 1.069 -9.284 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.639 -11.218 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.664 -10.323 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.206 -12.241 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.417 -12.626 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.295 -10.746 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.333 -10.479 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.881 -11.852 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.400 -12.806 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.826 -13.904 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.124 -13.960 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.382 -12.866 0.448 1.00 0.00 H new ATOM 470 N VAL A 32 2.171 -7.661 3.843 1.00 0.00 N ATOM 471 CA VAL A 32 2.156 -6.470 4.639 1.00 0.00 C ATOM 472 C VAL A 32 2.039 -5.280 3.705 1.00 0.00 C ATOM 473 O VAL A 32 2.663 -5.273 2.629 1.00 0.00 O ATOM 474 CB VAL A 32 3.463 -6.351 5.491 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.506 -5.054 6.291 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.600 -7.536 6.430 1.00 0.00 C ATOM 0 H VAL A 32 3.079 -7.872 3.428 1.00 0.00 H new ATOM 0 HA VAL A 32 1.312 -6.502 5.327 1.00 0.00 H new ATOM 0 HB VAL A 32 4.300 -6.344 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.430 -5.013 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.466 -4.204 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.653 -5.016 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.515 -7.434 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.743 -7.568 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.641 -8.458 5.849 1.00 0.00 H new ATOM 486 N CYS A 33 1.205 -4.328 4.070 1.00 0.00 N ATOM 487 CA CYS A 33 1.078 -3.096 3.327 1.00 0.00 C ATOM 488 C CYS A 33 2.258 -2.211 3.706 1.00 0.00 C ATOM 489 O CYS A 33 2.408 -1.830 4.883 1.00 0.00 O ATOM 490 CB CYS A 33 -0.244 -2.373 3.673 1.00 0.00 C ATOM 491 SG CYS A 33 -0.511 -0.813 2.761 1.00 0.00 S ATOM 0 H CYS A 33 0.599 -4.388 4.888 1.00 0.00 H new ATOM 0 HA CYS A 33 1.070 -3.308 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.077 -3.046 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.260 -2.162 4.742 1.00 0.00 H new ATOM 496 N ASN A 34 3.122 -1.937 2.765 1.00 0.00 N ATOM 497 CA ASN A 34 4.294 -1.116 3.019 1.00 0.00 C ATOM 498 C ASN A 34 4.149 0.147 2.233 1.00 0.00 C ATOM 499 O ASN A 34 3.638 0.120 1.126 1.00 0.00 O ATOM 500 CB ASN A 34 5.586 -1.813 2.574 1.00 0.00 C ATOM 501 CG ASN A 34 5.761 -3.205 3.119 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.299 -3.410 4.212 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.344 -4.165 2.356 1.00 0.00 N ATOM 0 H ASN A 34 3.042 -2.270 1.804 1.00 0.00 H new ATOM 0 HA ASN A 34 4.360 -0.928 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.604 -1.857 1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.437 -1.206 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.455 -5.135 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.905 -3.951 1.461 1.00 0.00 H new ATOM 510 N CYS A 35 4.567 1.242 2.782 1.00 0.00 N ATOM 511 CA CYS A 35 4.449 2.508 2.098 1.00 0.00 C ATOM 512 C CYS A 35 5.811 3.112 1.788 1.00 0.00 C ATOM 513 O CYS A 35 6.633 3.289 2.702 1.00 0.00 O ATOM 514 CB CYS A 35 3.594 3.468 2.909 1.00 0.00 C ATOM 515 SG CYS A 35 1.902 2.868 3.245 1.00 0.00 S ATOM 0 H CYS A 35 4.996 1.294 3.706 1.00 0.00 H new ATOM 0 HA CYS A 35 3.956 2.328 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.092 3.666 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.531 4.418 2.378 1.00 0.00 H new ATOM 520 N ARG A 36 6.031 3.416 0.486 1.00 0.00 N ATOM 521 CA ARG A 36 7.243 4.059 -0.048 1.00 0.00 C ATOM 522 C ARG A 36 7.240 4.017 -1.587 1.00 0.00 C ATOM 523 O ARG A 36 7.564 5.005 -2.240 1.00 0.00 O ATOM 524 CB ARG A 36 8.544 3.427 0.498 1.00 0.00 C ATOM 525 CG ARG A 36 9.823 4.078 -0.014 1.00 0.00 C ATOM 526 CD ARG A 36 11.068 3.594 0.728 1.00 0.00 C ATOM 527 NE ARG A 36 11.251 2.131 0.678 1.00 0.00 N ATOM 528 CZ ARG A 36 12.360 1.512 0.224 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.346 2.213 -0.322 1.00 0.00 N ATOM 530 NH2 ARG A 36 12.474 0.193 0.322 1.00 0.00 N ATOM 0 H ARG A 36 5.344 3.211 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 36 7.224 5.095 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.532 3.484 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.558 2.369 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.933 3.866 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.741 5.160 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.947 4.077 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.006 3.909 1.770 1.00 0.00 H new ATOM 0 HE ARG A 36 10.484 1.546 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.268 3.227 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.182 1.738 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.722 -0.354 0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.313 -0.273 -0.022 1.00 0.00 H new ATOM 544 N ARG A 37 6.853 2.883 -2.152 1.00 0.00 N ATOM 545 CA ARG A 37 6.895 2.688 -3.599 1.00 0.00 C ATOM 546 C ARG A 37 5.542 2.976 -4.220 1.00 0.00 C ATOM 547 O ARG A 37 5.283 4.130 -4.582 1.00 0.00 O ATOM 548 CB ARG A 37 7.312 1.253 -3.936 1.00 0.00 C ATOM 549 CG ARG A 37 8.617 0.822 -3.302 1.00 0.00 C ATOM 550 CD ARG A 37 8.963 -0.610 -3.685 1.00 0.00 C ATOM 551 NE ARG A 37 10.240 -1.052 -3.107 1.00 0.00 N ATOM 552 CZ ARG A 37 10.600 -2.331 -2.883 1.00 0.00 C ATOM 553 NH1 ARG A 37 9.758 -3.328 -3.163 1.00 0.00 N ATOM 554 NH2 ARG A 37 11.807 -2.597 -2.385 1.00 0.00 N ATOM 555 OXT ARG A 37 4.738 2.048 -4.359 1.00 0.00 O ATOM 0 H ARG A 37 6.504 2.079 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 37 7.629 3.382 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.523 0.572 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.397 1.156 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.418 1.490 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.543 0.904 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.167 -1.275 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.011 -0.691 -4.771 1.00 0.00 H new ATOM 0 HE ARG A 37 10.912 -0.328 -2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.836 -3.124 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.036 -4.294 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.452 -1.835 -2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.086 -3.563 -2.213 1.00 0.00 H new TER 569 ARG A 37