USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 278 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 3 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 9 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 16 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.8!) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0737 (180deg=-0.387) USER MOD Single : A 29 SER OG : rot 180:sc= 0.022 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0182 (180deg=-0.173) USER MOD Single : A 34 ASN : amide:sc= 1.04 K(o=1,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.145 -1.578 4.953 1.00 0.00 N ATOM 11 CA ILE A 2 -5.210 -2.214 4.053 1.00 0.00 C ATOM 12 C ILE A 2 -5.589 -3.658 3.771 1.00 0.00 C ATOM 13 O ILE A 2 -6.116 -4.364 4.631 1.00 0.00 O ATOM 14 CB ILE A 2 -3.766 -2.097 4.576 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.623 -2.705 5.986 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.355 -0.640 4.583 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.244 -2.542 6.587 1.00 0.00 C ATOM 0 HA ILE A 2 -5.260 -1.682 3.103 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.110 -2.660 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.354 -2.240 6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.865 -3.767 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.333 -0.552 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.410 -0.242 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.025 -0.076 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.223 -2.995 7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.509 -3.032 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.005 -1.482 6.668 1.00 0.00 H new ATOM 29 N THR A 3 -5.390 -4.064 2.566 1.00 0.00 N ATOM 30 CA THR A 3 -5.758 -5.370 2.122 1.00 0.00 C ATOM 31 C THR A 3 -4.701 -5.849 1.153 1.00 0.00 C ATOM 32 O THR A 3 -3.996 -5.022 0.577 1.00 0.00 O ATOM 33 CB THR A 3 -7.110 -5.263 1.389 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.063 -4.637 2.257 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.647 -6.620 0.952 1.00 0.00 C ATOM 0 H THR A 3 -4.958 -3.488 1.843 1.00 0.00 H new ATOM 0 HA THR A 3 -5.841 -6.063 2.959 1.00 0.00 H new ATOM 0 HB THR A 3 -6.951 -4.670 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.925 -4.564 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.601 -6.487 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.935 -7.092 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.790 -7.254 1.827 1.00 0.00 H new ATOM 43 N CYS A 4 -4.543 -7.145 1.024 1.00 0.00 N ATOM 44 CA CYS A 4 -3.664 -7.689 0.038 1.00 0.00 C ATOM 45 C CYS A 4 -4.384 -8.737 -0.771 1.00 0.00 C ATOM 46 O CYS A 4 -4.524 -9.893 -0.356 1.00 0.00 O ATOM 47 CB CYS A 4 -2.402 -8.278 0.644 1.00 0.00 C ATOM 48 SG CYS A 4 -1.424 -7.112 1.639 1.00 0.00 S ATOM 0 H CYS A 4 -5.020 -7.840 1.598 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.357 -6.867 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.677 -9.127 1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.775 -8.664 -0.160 1.00 0.00 H new ATOM 53 N ASP A 5 -4.918 -8.321 -1.856 1.00 0.00 N ATOM 54 CA ASP A 5 -5.514 -9.203 -2.824 1.00 0.00 C ATOM 55 C ASP A 5 -4.490 -9.358 -3.914 1.00 0.00 C ATOM 56 O ASP A 5 -4.369 -10.397 -4.564 1.00 0.00 O ATOM 57 CB ASP A 5 -6.808 -8.606 -3.387 1.00 0.00 C ATOM 58 CG ASP A 5 -7.470 -9.516 -4.393 1.00 0.00 C ATOM 59 OD1 ASP A 5 -8.038 -10.549 -3.991 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.459 -9.209 -5.608 1.00 0.00 O ATOM 0 H ASP A 5 -4.961 -7.336 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.781 -10.161 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.500 -8.409 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.589 -7.647 -3.857 1.00 0.00 H new ATOM 65 N LEU A 6 -3.735 -8.300 -4.077 1.00 0.00 N ATOM 66 CA LEU A 6 -2.651 -8.233 -4.964 1.00 0.00 C ATOM 67 C LEU A 6 -1.397 -8.002 -4.149 1.00 0.00 C ATOM 68 O LEU A 6 -1.448 -7.506 -3.024 1.00 0.00 O ATOM 69 CB LEU A 6 -2.860 -7.071 -5.935 1.00 0.00 C ATOM 70 CG LEU A 6 -4.076 -7.181 -6.851 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.303 -5.882 -7.595 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.875 -8.313 -7.834 1.00 0.00 C ATOM 0 H LEU A 6 -3.885 -7.433 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.564 -9.157 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.946 -6.151 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.969 -6.976 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.955 -7.386 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.174 -5.981 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.472 -5.078 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.426 -5.651 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.745 -8.388 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.987 -8.119 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.748 -9.249 -7.290 1.00 0.00 H new ATOM 84 N ILE A 7 -0.313 -8.393 -4.685 1.00 0.00 N ATOM 85 CA ILE A 7 0.972 -8.183 -4.105 1.00 0.00 C ATOM 86 C ILE A 7 1.700 -7.223 -5.015 1.00 0.00 C ATOM 87 O ILE A 7 1.699 -7.404 -6.234 1.00 0.00 O ATOM 88 CB ILE A 7 1.748 -9.526 -3.975 1.00 0.00 C ATOM 89 CG1 ILE A 7 0.963 -10.483 -3.058 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.170 -9.302 -3.446 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.604 -11.837 -2.866 1.00 0.00 C ATOM 0 H ILE A 7 -0.281 -8.889 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 7 0.886 -7.776 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 7 1.841 -9.974 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.841 -10.012 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.036 -10.624 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.684 -10.260 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.715 -8.653 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.123 -8.834 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.983 -12.443 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.701 -12.334 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.591 -11.712 -2.421 1.00 0.00 H new ATOM 103 N GLY A 8 2.255 -6.185 -4.457 1.00 0.00 N ATOM 104 CA GLY A 8 2.909 -5.176 -5.253 1.00 0.00 C ATOM 105 C GLY A 8 1.927 -4.180 -5.875 1.00 0.00 C ATOM 106 O GLY A 8 1.982 -2.987 -5.606 1.00 0.00 O ATOM 0 H GLY A 8 2.270 -6.012 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.622 -4.635 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.480 -5.659 -6.046 1.00 0.00 H new ATOM 110 N ASN A 9 0.958 -4.703 -6.602 1.00 0.00 N ATOM 111 CA ASN A 9 0.010 -3.963 -7.411 1.00 0.00 C ATOM 112 C ASN A 9 -1.209 -3.621 -6.563 1.00 0.00 C ATOM 113 O ASN A 9 -2.288 -3.282 -7.045 1.00 0.00 O ATOM 114 CB ASN A 9 -0.404 -4.934 -8.492 1.00 0.00 C ATOM 115 CG ASN A 9 -1.236 -4.336 -9.561 1.00 0.00 C ATOM 116 OD1 ASN A 9 -1.091 -3.172 -9.906 1.00 0.00 O ATOM 117 ND2 ASN A 9 -2.105 -5.111 -10.090 1.00 0.00 N ATOM 0 H ASN A 9 0.803 -5.710 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 9 0.428 -3.038 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.492 -5.363 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.956 -5.755 -8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.713 -4.764 -10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.190 -6.076 -9.770 1.00 0.00 H new ATOM 124 N GLU A 10 -1.002 -3.645 -5.309 1.00 0.00 N ATOM 125 CA GLU A 10 -2.040 -3.589 -4.398 1.00 0.00 C ATOM 126 C GLU A 10 -2.482 -2.181 -4.074 1.00 0.00 C ATOM 127 O GLU A 10 -2.022 -1.542 -3.115 1.00 0.00 O ATOM 128 CB GLU A 10 -1.725 -4.421 -3.188 1.00 0.00 C ATOM 129 CG GLU A 10 -2.816 -4.415 -2.193 1.00 0.00 C ATOM 130 CD GLU A 10 -4.137 -4.810 -2.810 1.00 0.00 C ATOM 131 OE1 GLU A 10 -4.848 -3.925 -3.315 1.00 0.00 O ATOM 132 OE2 GLU A 10 -4.454 -5.982 -2.838 1.00 0.00 O ATOM 0 H GLU A 10 -0.075 -3.706 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.916 -4.032 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.528 -5.447 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.813 -4.048 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.573 -5.102 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.902 -3.421 -1.754 1.00 0.00 H new ATOM 139 N ARG A 11 -3.346 -1.720 -4.914 1.00 0.00 N ATOM 140 CA ARG A 11 -4.005 -0.427 -4.803 1.00 0.00 C ATOM 141 C ARG A 11 -4.701 -0.215 -3.443 1.00 0.00 C ATOM 142 O ARG A 11 -4.793 0.921 -2.960 1.00 0.00 O ATOM 143 CB ARG A 11 -5.003 -0.236 -5.941 1.00 0.00 C ATOM 144 CG ARG A 11 -4.376 -0.219 -7.330 1.00 0.00 C ATOM 145 CD ARG A 11 -3.319 0.877 -7.458 1.00 0.00 C ATOM 146 NE ARG A 11 -3.855 2.215 -7.146 1.00 0.00 N ATOM 147 CZ ARG A 11 -3.178 3.365 -7.268 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.917 3.360 -7.686 1.00 0.00 N ATOM 149 NH2 ARG A 11 -3.764 4.512 -6.955 1.00 0.00 N ATOM 0 H ARG A 11 -3.637 -2.244 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.220 0.326 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.742 -1.036 -5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.538 0.701 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.922 -1.188 -7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.153 -0.065 -8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.488 0.656 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.920 0.876 -8.472 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.817 2.269 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.459 2.478 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.406 4.238 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.728 4.518 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.251 5.389 -7.047 1.00 0.00 H new ATOM 163 N LEU A 12 -5.160 -1.286 -2.809 1.00 0.00 N ATOM 164 CA LEU A 12 -5.827 -1.175 -1.506 1.00 0.00 C ATOM 165 C LEU A 12 -4.815 -0.856 -0.421 1.00 0.00 C ATOM 166 O LEU A 12 -5.159 -0.377 0.660 1.00 0.00 O ATOM 167 CB LEU A 12 -6.609 -2.444 -1.166 1.00 0.00 C ATOM 168 CG LEU A 12 -7.706 -2.829 -2.160 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.405 -4.102 -1.731 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.705 -1.699 -2.325 1.00 0.00 C ATOM 0 H LEU A 12 -5.087 -2.238 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.545 -0.357 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.906 -3.273 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.062 -2.318 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.234 -3.011 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.180 -4.353 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.681 -4.915 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.858 -3.956 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.476 -1.996 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.166 -1.477 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.192 -0.811 -2.695 1.00 0.00 H new ATOM 182 N CYS A 13 -3.575 -1.135 -0.712 1.00 0.00 N ATOM 183 CA CYS A 13 -2.493 -0.775 0.152 1.00 0.00 C ATOM 184 C CYS A 13 -2.042 0.640 -0.212 1.00 0.00 C ATOM 185 O CYS A 13 -1.906 1.507 0.650 1.00 0.00 O ATOM 186 CB CYS A 13 -1.356 -1.793 0.012 1.00 0.00 C ATOM 187 SG CYS A 13 0.187 -1.378 0.896 1.00 0.00 S ATOM 0 H CYS A 13 -3.288 -1.622 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.807 -0.786 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.711 -2.759 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.126 -1.911 -1.047 1.00 0.00 H new ATOM 192 N VAL A 14 -1.922 0.885 -1.527 1.00 0.00 N ATOM 193 CA VAL A 14 -1.472 2.173 -2.074 1.00 0.00 C ATOM 194 C VAL A 14 -2.320 3.336 -1.551 1.00 0.00 C ATOM 195 O VAL A 14 -1.793 4.390 -1.229 1.00 0.00 O ATOM 196 CB VAL A 14 -1.506 2.183 -3.632 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.970 3.495 -4.190 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.727 1.017 -4.204 1.00 0.00 C ATOM 0 H VAL A 14 -2.136 0.191 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.442 2.302 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.549 2.083 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.007 3.469 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.580 4.322 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.061 3.634 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.769 1.051 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.311 1.079 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.162 0.081 -3.853 1.00 0.00 H new ATOM 208 N VAL A 15 -3.624 3.122 -1.431 1.00 0.00 N ATOM 209 CA VAL A 15 -4.534 4.162 -0.956 1.00 0.00 C ATOM 210 C VAL A 15 -4.209 4.588 0.495 1.00 0.00 C ATOM 211 O VAL A 15 -4.351 5.761 0.853 1.00 0.00 O ATOM 212 CB VAL A 15 -6.026 3.740 -1.101 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.384 2.575 -0.201 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.966 4.914 -0.885 1.00 0.00 C ATOM 0 H VAL A 15 -4.078 2.237 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.380 5.031 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.154 3.400 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.434 2.318 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.764 1.715 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.211 2.852 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.997 4.579 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.820 5.318 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.756 5.689 -1.622 1.00 0.00 H new ATOM 224 N HIS A 16 -3.685 3.656 1.291 1.00 0.00 N ATOM 225 CA HIS A 16 -3.317 3.955 2.670 1.00 0.00 C ATOM 226 C HIS A 16 -2.110 4.878 2.653 1.00 0.00 C ATOM 227 O HIS A 16 -2.018 5.857 3.416 1.00 0.00 O ATOM 228 CB HIS A 16 -3.022 2.647 3.455 1.00 0.00 C ATOM 229 CG HIS A 16 -2.580 2.843 4.878 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.443 3.046 5.924 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.333 2.862 5.411 1.00 0.00 C ATOM 232 CE1 HIS A 16 -2.721 3.188 7.038 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.430 3.080 6.782 1.00 0.00 N ATOM 0 H HIS A 16 -3.507 2.693 1.004 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.143 4.451 3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.920 2.029 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.250 2.090 2.925 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.460 3.082 5.862 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.413 2.729 4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.137 3.367 8.018 1.00 0.00 H new ATOM 241 N CYS A 17 -1.236 4.593 1.736 1.00 0.00 N ATOM 242 CA CYS A 17 -0.032 5.339 1.533 1.00 0.00 C ATOM 243 C CYS A 17 -0.353 6.718 0.951 1.00 0.00 C ATOM 244 O CYS A 17 0.230 7.723 1.356 1.00 0.00 O ATOM 245 CB CYS A 17 0.861 4.544 0.607 1.00 0.00 C ATOM 246 SG CYS A 17 1.088 2.828 1.166 1.00 0.00 S ATOM 0 H CYS A 17 -1.344 3.812 1.089 1.00 0.00 H new ATOM 0 HA CYS A 17 0.481 5.502 2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.432 4.543 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.833 5.032 0.537 1.00 0.00 H new ATOM 251 N LEU A 18 -1.317 6.771 0.037 1.00 0.00 N ATOM 252 CA LEU A 18 -1.743 8.034 -0.565 1.00 0.00 C ATOM 253 C LEU A 18 -2.403 8.923 0.480 1.00 0.00 C ATOM 254 O LEU A 18 -2.286 10.150 0.425 1.00 0.00 O ATOM 255 CB LEU A 18 -2.718 7.790 -1.729 1.00 0.00 C ATOM 256 CG LEU A 18 -2.179 6.998 -2.925 1.00 0.00 C ATOM 257 CD1 LEU A 18 -3.265 6.808 -3.971 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.968 7.689 -3.537 1.00 0.00 C ATOM 0 H LEU A 18 -1.820 5.952 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.857 8.535 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.589 7.265 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.065 8.758 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.865 6.018 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.864 6.244 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.101 6.262 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.610 7.782 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.606 7.106 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.251 8.685 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.179 7.771 -2.789 1.00 0.00 H new ATOM 270 N ALA A 19 -3.064 8.299 1.441 1.00 0.00 N ATOM 271 CA ALA A 19 -3.678 9.018 2.539 1.00 0.00 C ATOM 272 C ALA A 19 -2.611 9.557 3.490 1.00 0.00 C ATOM 273 O ALA A 19 -2.666 10.710 3.912 1.00 0.00 O ATOM 274 CB ALA A 19 -4.660 8.125 3.279 1.00 0.00 C ATOM 0 H ALA A 19 -3.188 7.287 1.480 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.230 9.865 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.111 8.682 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.440 7.795 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.134 7.256 3.676 1.00 0.00 H new ATOM 280 N LYS A 20 -1.622 8.725 3.806 1.00 0.00 N ATOM 281 CA LYS A 20 -0.530 9.136 4.695 1.00 0.00 C ATOM 282 C LYS A 20 0.411 10.152 4.050 1.00 0.00 C ATOM 283 O LYS A 20 1.107 10.888 4.748 1.00 0.00 O ATOM 284 CB LYS A 20 0.267 7.945 5.228 1.00 0.00 C ATOM 285 CG LYS A 20 -0.406 7.167 6.345 1.00 0.00 C ATOM 286 CD LYS A 20 0.536 6.107 6.888 1.00 0.00 C ATOM 287 CE LYS A 20 0.016 5.491 8.173 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.100 6.481 9.265 1.00 0.00 N ATOM 0 H LYS A 20 -1.551 7.767 3.464 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.017 9.625 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.468 7.263 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.231 8.304 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.700 7.846 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.317 6.698 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.672 5.326 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.515 6.550 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.960 5.041 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.684 4.687 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.142 5.986 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.726 7.113 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.966 7.041 9.135 1.00 0.00 H new ATOM 302 N GLY A 21 0.449 10.173 2.742 1.00 0.00 N ATOM 303 CA GLY A 21 1.280 11.129 2.049 1.00 0.00 C ATOM 304 C GLY A 21 2.557 10.504 1.558 1.00 0.00 C ATOM 305 O GLY A 21 3.651 11.042 1.748 1.00 0.00 O ATOM 0 H GLY A 21 -0.081 9.545 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.730 11.544 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.514 11.959 2.716 1.00 0.00 H new ATOM 309 N PHE A 22 2.422 9.363 0.957 1.00 0.00 N ATOM 310 CA PHE A 22 3.532 8.628 0.411 1.00 0.00 C ATOM 311 C PHE A 22 3.536 8.691 -1.077 1.00 0.00 C ATOM 312 O PHE A 22 2.528 9.047 -1.703 1.00 0.00 O ATOM 313 CB PHE A 22 3.483 7.166 0.866 1.00 0.00 C ATOM 314 CG PHE A 22 4.051 6.958 2.206 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.325 7.193 3.356 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.327 6.516 2.307 1.00 0.00 C ATOM 317 CE1 PHE A 22 3.899 6.978 4.591 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.905 6.299 3.499 1.00 0.00 C ATOM 319 CZ PHE A 22 5.200 6.526 4.666 1.00 0.00 C ATOM 0 H PHE A 22 1.521 8.903 0.827 1.00 0.00 H new ATOM 0 HA PHE A 22 4.449 9.087 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.448 6.825 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.026 6.550 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.306 7.546 3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.894 6.334 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.334 7.162 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.925 5.946 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.663 6.351 5.626 1.00 0.00 H new ATOM 329 N ARG A 23 4.667 8.339 -1.651 1.00 0.00 N ATOM 330 CA ARG A 23 4.806 8.247 -3.084 1.00 0.00 C ATOM 331 C ARG A 23 4.045 7.044 -3.576 1.00 0.00 C ATOM 332 O ARG A 23 3.682 6.957 -4.758 1.00 0.00 O ATOM 333 CB ARG A 23 6.266 8.153 -3.490 1.00 0.00 C ATOM 334 CG ARG A 23 7.077 9.362 -3.095 1.00 0.00 C ATOM 335 CD ARG A 23 8.518 9.202 -3.494 1.00 0.00 C ATOM 336 NE ARG A 23 9.341 10.318 -3.034 1.00 0.00 N ATOM 337 CZ ARG A 23 10.678 10.298 -2.996 1.00 0.00 C ATOM 338 NH1 ARG A 23 11.340 9.207 -3.382 1.00 0.00 N ATOM 339 NH2 ARG A 23 11.353 11.363 -2.578 1.00 0.00 N ATOM 0 H ARG A 23 5.516 8.109 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 23 4.398 9.151 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.706 7.265 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.327 8.021 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.662 10.252 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.009 9.513 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.907 8.271 -3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.587 9.124 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 23 8.866 11.165 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.827 8.387 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.359 9.192 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.852 12.201 -2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.372 11.342 -2.551 1.00 0.00 H new ATOM 353 N GLY A 24 3.775 6.129 -2.664 1.00 0.00 N ATOM 354 CA GLY A 24 2.990 4.997 -3.000 1.00 0.00 C ATOM 355 C GLY A 24 3.177 3.902 -2.020 1.00 0.00 C ATOM 356 O GLY A 24 3.873 4.081 -0.997 1.00 0.00 O ATOM 0 H GLY A 24 4.094 6.163 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.938 5.279 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.261 4.647 -3.996 1.00 0.00 H new ATOM 360 N GLY A 25 2.583 2.794 -2.302 1.00 0.00 N ATOM 361 CA GLY A 25 2.635 1.689 -1.425 1.00 0.00 C ATOM 362 C GLY A 25 2.530 0.421 -2.178 1.00 0.00 C ATOM 363 O GLY A 25 2.264 0.442 -3.387 1.00 0.00 O ATOM 0 H GLY A 25 2.046 2.634 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.569 1.708 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.824 1.755 -0.699 1.00 0.00 H new ATOM 367 N TRP A 26 2.765 -0.665 -1.508 1.00 0.00 N ATOM 368 CA TRP A 26 2.715 -1.959 -2.109 1.00 0.00 C ATOM 369 C TRP A 26 2.627 -3.003 -1.008 1.00 0.00 C ATOM 370 O TRP A 26 3.189 -2.821 0.080 1.00 0.00 O ATOM 371 CB TRP A 26 3.972 -2.204 -3.004 1.00 0.00 C ATOM 372 CG TRP A 26 5.268 -2.445 -2.260 1.00 0.00 C ATOM 373 CD1 TRP A 26 5.966 -3.614 -2.212 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.002 -1.515 -1.446 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.083 -3.463 -1.433 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.121 -2.193 -0.948 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.816 -0.182 -1.095 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.048 -1.586 -0.118 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.725 0.429 -0.268 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.838 -0.275 0.216 1.00 0.00 C ATOM 0 H TRP A 26 3.000 -0.676 -0.515 1.00 0.00 H new ATOM 0 HA TRP A 26 1.838 -2.029 -2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.777 -3.063 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.104 -1.342 -3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.681 -4.526 -2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.776 -4.188 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 26 4.965 0.367 -1.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.906 -2.127 0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.582 1.462 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.542 0.226 0.864 1.00 0.00 H new ATOM 391 N CYS A 27 1.893 -4.041 -1.246 1.00 0.00 N ATOM 392 CA CYS A 27 1.855 -5.133 -0.312 1.00 0.00 C ATOM 393 C CYS A 27 2.940 -6.086 -0.715 1.00 0.00 C ATOM 394 O CYS A 27 3.025 -6.440 -1.887 1.00 0.00 O ATOM 395 CB CYS A 27 0.499 -5.838 -0.326 1.00 0.00 C ATOM 396 SG CYS A 27 0.409 -7.251 0.812 1.00 0.00 S ATOM 0 H CYS A 27 1.311 -4.162 -2.075 1.00 0.00 H new ATOM 0 HA CYS A 27 2.005 -4.764 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.278 -5.120 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.287 -6.182 -1.338 1.00 0.00 H new ATOM 401 N ASP A 28 3.784 -6.463 0.202 1.00 0.00 N ATOM 402 CA ASP A 28 4.898 -7.328 -0.141 1.00 0.00 C ATOM 403 C ASP A 28 4.517 -8.801 0.054 1.00 0.00 C ATOM 404 O ASP A 28 3.369 -9.112 0.401 1.00 0.00 O ATOM 405 CB ASP A 28 6.163 -6.962 0.658 1.00 0.00 C ATOM 406 CG ASP A 28 6.147 -7.422 2.093 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.703 -6.673 2.973 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.612 -8.540 2.362 1.00 0.00 O ATOM 0 H ASP A 28 3.732 -6.194 1.185 1.00 0.00 H new ATOM 0 HA ASP A 28 5.131 -7.177 -1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.031 -7.395 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.291 -5.880 0.637 1.00 0.00 H new ATOM 413 N SER A 29 5.477 -9.691 -0.136 1.00 0.00 N ATOM 414 CA SER A 29 5.258 -11.124 -0.092 1.00 0.00 C ATOM 415 C SER A 29 4.836 -11.630 1.302 1.00 0.00 C ATOM 416 O SER A 29 4.257 -12.706 1.431 1.00 0.00 O ATOM 417 CB SER A 29 6.519 -11.823 -0.584 1.00 0.00 C ATOM 418 OG SER A 29 7.665 -11.322 0.093 1.00 0.00 O ATOM 0 H SER A 29 6.445 -9.432 -0.328 1.00 0.00 H new ATOM 0 HA SER A 29 4.420 -11.363 -0.747 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.434 -12.897 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.629 -11.672 -1.658 1.00 0.00 H new ATOM 0 HG SER A 29 8.466 -11.783 -0.234 1.00 0.00 H new ATOM 424 N ARG A 30 5.110 -10.850 2.333 1.00 0.00 N ATOM 425 CA ARG A 30 4.726 -11.214 3.695 1.00 0.00 C ATOM 426 C ARG A 30 3.272 -10.835 3.955 1.00 0.00 C ATOM 427 O ARG A 30 2.739 -11.106 5.042 1.00 0.00 O ATOM 428 CB ARG A 30 5.592 -10.476 4.699 1.00 0.00 C ATOM 429 CG ARG A 30 7.076 -10.740 4.583 1.00 0.00 C ATOM 430 CD ARG A 30 7.841 -9.717 5.393 1.00 0.00 C ATOM 431 NE ARG A 30 7.520 -8.365 4.935 1.00 0.00 N ATOM 432 CZ ARG A 30 7.766 -7.230 5.582 1.00 0.00 C ATOM 433 NH1 ARG A 30 8.512 -7.220 6.687 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.282 -6.100 5.095 1.00 0.00 N ATOM 0 H ARG A 30 5.598 -9.957 2.257 1.00 0.00 H new ATOM 0 HA ARG A 30 4.857 -12.291 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.419 -9.406 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.268 -10.747 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.305 -11.745 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.383 -10.694 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.592 -9.819 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.912 -9.896 5.299 1.00 0.00 H new ATOM 0 HE ARG A 30 7.061 -8.285 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.903 -8.091 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.692 -6.341 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.730 -6.109 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.460 -5.219 5.577 1.00 0.00 H new ATOM 448 N LYS A 31 2.644 -10.201 2.951 1.00 0.00 N ATOM 449 CA LYS A 31 1.266 -9.700 3.014 1.00 0.00 C ATOM 450 C LYS A 31 1.189 -8.459 3.896 1.00 0.00 C ATOM 451 O LYS A 31 0.147 -8.145 4.492 1.00 0.00 O ATOM 452 CB LYS A 31 0.252 -10.785 3.454 1.00 0.00 C ATOM 453 CG LYS A 31 0.126 -11.966 2.495 1.00 0.00 C ATOM 454 CD LYS A 31 -0.323 -11.519 1.109 1.00 0.00 C ATOM 455 CE LYS A 31 -0.532 -12.699 0.173 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.628 -13.585 0.617 1.00 0.00 N ATOM 0 H LYS A 31 3.093 -10.020 2.053 1.00 0.00 H new ATOM 0 HA LYS A 31 0.977 -9.419 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.545 -11.160 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.728 -10.322 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.085 -12.478 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.589 -12.685 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.251 -10.953 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.423 -10.847 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.751 -12.330 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.392 -13.274 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.878 -14.240 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.320 -14.129 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.459 -13.011 0.867 1.00 0.00 H new ATOM 470 N VAL A 32 2.276 -7.728 3.929 1.00 0.00 N ATOM 471 CA VAL A 32 2.349 -6.514 4.690 1.00 0.00 C ATOM 472 C VAL A 32 2.204 -5.322 3.749 1.00 0.00 C ATOM 473 O VAL A 32 2.803 -5.298 2.668 1.00 0.00 O ATOM 474 CB VAL A 32 3.692 -6.413 5.476 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.764 -5.127 6.295 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.866 -7.618 6.384 1.00 0.00 C ATOM 0 H VAL A 32 3.133 -7.961 3.428 1.00 0.00 H new ATOM 0 HA VAL A 32 1.538 -6.514 5.419 1.00 0.00 H new ATOM 0 HB VAL A 32 4.502 -6.395 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.713 -5.089 6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.688 -4.267 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.943 -5.105 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.808 -7.532 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.041 -7.660 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.874 -8.528 5.784 1.00 0.00 H new ATOM 486 N CYS A 33 1.365 -4.383 4.120 1.00 0.00 N ATOM 487 CA CYS A 33 1.213 -3.163 3.362 1.00 0.00 C ATOM 488 C CYS A 33 2.381 -2.251 3.706 1.00 0.00 C ATOM 489 O CYS A 33 2.562 -1.891 4.873 1.00 0.00 O ATOM 490 CB CYS A 33 -0.106 -2.452 3.721 1.00 0.00 C ATOM 491 SG CYS A 33 -0.405 -0.920 2.776 1.00 0.00 S ATOM 0 H CYS A 33 0.773 -4.442 4.949 1.00 0.00 H new ATOM 0 HA CYS A 33 1.195 -3.397 2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.935 -3.139 3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.101 -2.215 4.785 1.00 0.00 H new ATOM 496 N ASN A 34 3.183 -1.902 2.742 1.00 0.00 N ATOM 497 CA ASN A 34 4.319 -1.036 2.991 1.00 0.00 C ATOM 498 C ASN A 34 4.143 0.210 2.177 1.00 0.00 C ATOM 499 O ASN A 34 3.631 0.150 1.062 1.00 0.00 O ATOM 500 CB ASN A 34 5.648 -1.695 2.586 1.00 0.00 C ATOM 501 CG ASN A 34 5.856 -3.083 3.144 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.369 -3.269 4.253 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.498 -4.062 2.368 1.00 0.00 N ATOM 0 H ASN A 34 3.079 -2.200 1.772 1.00 0.00 H new ATOM 0 HA ASN A 34 4.359 -0.824 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.698 -1.743 1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.469 -1.058 2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.637 -5.027 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.078 -3.865 1.460 1.00 0.00 H new ATOM 510 N CYS A 35 4.508 1.325 2.724 1.00 0.00 N ATOM 511 CA CYS A 35 4.429 2.575 2.011 1.00 0.00 C ATOM 512 C CYS A 35 5.826 3.142 1.810 1.00 0.00 C ATOM 513 O CYS A 35 6.584 3.250 2.778 1.00 0.00 O ATOM 514 CB CYS A 35 3.546 3.563 2.771 1.00 0.00 C ATOM 515 SG CYS A 35 1.828 3.017 3.036 1.00 0.00 S ATOM 0 H CYS A 35 4.869 1.403 3.675 1.00 0.00 H new ATOM 0 HA CYS A 35 3.980 2.402 1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.002 3.762 3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.531 4.507 2.226 1.00 0.00 H new ATOM 520 N ARG A 36 6.165 3.487 0.553 1.00 0.00 N ATOM 521 CA ARG A 36 7.473 4.059 0.183 1.00 0.00 C ATOM 522 C ARG A 36 7.565 4.189 -1.335 1.00 0.00 C ATOM 523 O ARG A 36 7.923 5.230 -1.853 1.00 0.00 O ATOM 524 CB ARG A 36 8.638 3.170 0.661 1.00 0.00 C ATOM 525 CG ARG A 36 10.022 3.734 0.388 1.00 0.00 C ATOM 526 CD ARG A 36 11.107 2.723 0.740 1.00 0.00 C ATOM 527 NE ARG A 36 11.125 2.385 2.175 1.00 0.00 N ATOM 528 CZ ARG A 36 11.473 1.189 2.696 1.00 0.00 C ATOM 529 NH1 ARG A 36 11.770 0.162 1.898 1.00 0.00 N ATOM 530 NH2 ARG A 36 11.519 1.031 4.016 1.00 0.00 N ATOM 0 H ARG A 36 5.533 3.375 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 36 7.552 5.034 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.534 3.004 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.556 2.196 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.105 4.009 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.168 4.645 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.953 1.814 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.079 3.124 0.453 1.00 0.00 H new ATOM 0 HE ARG A 36 10.851 3.117 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.735 0.277 0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.032 -0.738 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.292 1.812 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.782 0.129 4.413 1.00 0.00 H new ATOM 544 N ARG A 37 7.213 3.119 -2.027 1.00 0.00 N ATOM 545 CA ARG A 37 7.368 3.034 -3.474 1.00 0.00 C ATOM 546 C ARG A 37 6.270 3.758 -4.216 1.00 0.00 C ATOM 547 O ARG A 37 5.181 3.194 -4.370 1.00 0.00 O ATOM 548 CB ARG A 37 7.435 1.572 -3.922 1.00 0.00 C ATOM 549 CG ARG A 37 8.616 0.823 -3.358 1.00 0.00 C ATOM 550 CD ARG A 37 8.657 -0.617 -3.858 1.00 0.00 C ATOM 551 NE ARG A 37 8.690 -0.715 -5.333 1.00 0.00 N ATOM 552 CZ ARG A 37 8.552 -1.866 -6.023 1.00 0.00 C ATOM 553 NH1 ARG A 37 8.418 -3.014 -5.376 1.00 0.00 N ATOM 554 NH2 ARG A 37 8.556 -1.857 -7.354 1.00 0.00 N ATOM 555 OXT ARG A 37 6.508 4.877 -4.704 1.00 0.00 O ATOM 0 H ARG A 37 6.811 2.283 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 37 8.306 3.530 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.517 1.066 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.478 1.536 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.538 1.332 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.566 0.830 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.536 -1.114 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.784 -1.151 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 37 8.826 0.145 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.419 -3.028 -4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.314 -3.884 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.664 -0.977 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.451 -2.730 -7.870 1.00 0.00 H new