USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 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 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 16 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00738 (180deg=-0.197) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= 0.709 (180deg=-0.0179) USER MOD Single : A 34 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.160 -2.005 5.496 1.00 0.00 N ATOM 11 CA ILE A 2 -5.205 -2.468 4.533 1.00 0.00 C ATOM 12 C ILE A 2 -5.172 -3.997 4.497 1.00 0.00 C ATOM 13 O ILE A 2 -4.984 -4.664 5.522 1.00 0.00 O ATOM 14 CB ILE A 2 -3.809 -1.848 4.784 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.384 -2.012 6.261 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.808 -0.382 4.362 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.079 -1.344 6.621 1.00 0.00 C ATOM 0 HA ILE A 2 -5.518 -2.132 3.545 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.075 -2.380 4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.171 -1.608 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.306 -3.076 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.822 0.048 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.048 -0.309 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.553 0.164 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.863 -1.513 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.276 -1.763 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.154 -0.273 6.433 1.00 0.00 H new ATOM 29 N THR A 3 -5.434 -4.530 3.338 1.00 0.00 N ATOM 30 CA THR A 3 -5.527 -5.953 3.118 1.00 0.00 C ATOM 31 C THR A 3 -4.850 -6.259 1.786 1.00 0.00 C ATOM 32 O THR A 3 -5.067 -5.534 0.814 1.00 0.00 O ATOM 33 CB THR A 3 -7.018 -6.357 3.020 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.747 -5.782 4.128 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.184 -7.872 3.042 1.00 0.00 C ATOM 0 H THR A 3 -5.594 -3.977 2.496 1.00 0.00 H new ATOM 0 HA THR A 3 -5.054 -6.499 3.934 1.00 0.00 H new ATOM 0 HB THR A 3 -7.410 -5.982 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.691 -6.036 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.242 -8.123 2.972 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.651 -8.309 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.778 -8.269 3.972 1.00 0.00 H new ATOM 43 N CYS A 4 -4.048 -7.284 1.737 1.00 0.00 N ATOM 44 CA CYS A 4 -3.339 -7.601 0.526 1.00 0.00 C ATOM 45 C CYS A 4 -3.935 -8.764 -0.214 1.00 0.00 C ATOM 46 O CYS A 4 -3.919 -9.912 0.252 1.00 0.00 O ATOM 47 CB CYS A 4 -1.872 -7.856 0.802 1.00 0.00 C ATOM 48 SG CYS A 4 -1.058 -6.454 1.610 1.00 0.00 S ATOM 0 H CYS A 4 -3.868 -7.914 2.518 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.435 -6.726 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.773 -8.740 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.363 -8.075 -0.137 1.00 0.00 H new ATOM 53 N ASP A 5 -4.482 -8.472 -1.346 1.00 0.00 N ATOM 54 CA ASP A 5 -4.942 -9.476 -2.256 1.00 0.00 C ATOM 55 C ASP A 5 -3.856 -9.679 -3.278 1.00 0.00 C ATOM 56 O ASP A 5 -3.405 -10.804 -3.518 1.00 0.00 O ATOM 57 CB ASP A 5 -6.250 -9.044 -2.914 1.00 0.00 C ATOM 58 CG ASP A 5 -6.629 -9.890 -4.100 1.00 0.00 C ATOM 59 OD1 ASP A 5 -6.980 -11.083 -3.925 1.00 0.00 O ATOM 60 OD2 ASP A 5 -6.635 -9.367 -5.235 1.00 0.00 O ATOM 0 H ASP A 5 -4.626 -7.517 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.147 -10.411 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.051 -9.086 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.163 -8.005 -3.231 1.00 0.00 H new ATOM 65 N LEU A 6 -3.386 -8.581 -3.817 1.00 0.00 N ATOM 66 CA LEU A 6 -2.320 -8.594 -4.748 1.00 0.00 C ATOM 67 C LEU A 6 -1.056 -8.081 -4.091 1.00 0.00 C ATOM 68 O LEU A 6 -1.082 -7.471 -3.030 1.00 0.00 O ATOM 69 CB LEU A 6 -2.666 -7.750 -5.983 1.00 0.00 C ATOM 70 CG LEU A 6 -3.852 -8.238 -6.819 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.143 -7.265 -7.939 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.588 -9.631 -7.384 1.00 0.00 C ATOM 0 H LEU A 6 -3.747 -7.650 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.156 -9.620 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.873 -6.731 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.787 -7.706 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.724 -8.295 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.989 -7.626 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.383 -6.288 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.267 -7.178 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.446 -9.953 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.702 -9.605 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.427 -10.332 -6.565 1.00 0.00 H new ATOM 84 N ILE A 7 0.015 -8.363 -4.710 1.00 0.00 N ATOM 85 CA ILE A 7 1.327 -7.943 -4.302 1.00 0.00 C ATOM 86 C ILE A 7 1.754 -6.825 -5.234 1.00 0.00 C ATOM 87 O ILE A 7 1.696 -6.980 -6.457 1.00 0.00 O ATOM 88 CB ILE A 7 2.320 -9.133 -4.403 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.855 -10.275 -3.487 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.751 -8.703 -4.061 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.663 -11.539 -3.617 1.00 0.00 C ATOM 0 H ILE A 7 0.023 -8.922 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 7 1.319 -7.598 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 7 2.330 -9.486 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.897 -9.935 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.811 -10.500 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.418 -9.561 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.073 -7.926 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.781 -8.315 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.269 -12.294 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.602 -11.906 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.704 -11.333 -3.367 1.00 0.00 H new ATOM 103 N GLY A 8 2.126 -5.695 -4.673 1.00 0.00 N ATOM 104 CA GLY A 8 2.520 -4.540 -5.472 1.00 0.00 C ATOM 105 C GLY A 8 1.345 -3.784 -6.104 1.00 0.00 C ATOM 106 O GLY A 8 1.255 -2.574 -5.990 1.00 0.00 O ATOM 0 H GLY A 8 2.166 -5.545 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.084 -3.852 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.192 -4.872 -6.263 1.00 0.00 H new ATOM 110 N ASN A 9 0.406 -4.514 -6.674 1.00 0.00 N ATOM 111 CA ASN A 9 -0.702 -3.933 -7.457 1.00 0.00 C ATOM 112 C ASN A 9 -1.918 -3.814 -6.622 1.00 0.00 C ATOM 113 O ASN A 9 -3.037 -3.653 -7.117 1.00 0.00 O ATOM 114 CB ASN A 9 -1.025 -4.797 -8.664 1.00 0.00 C ATOM 115 CG ASN A 9 0.076 -4.818 -9.697 1.00 0.00 C ATOM 116 OD1 ASN A 9 0.834 -3.858 -9.846 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.167 -5.888 -10.421 1.00 0.00 N ATOM 0 H ASN A 9 0.377 -5.532 -6.615 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.385 -2.946 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.220 -5.816 -8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.942 -4.433 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.884 -5.956 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.478 -6.663 -10.269 1.00 0.00 H new ATOM 124 N GLU A 10 -1.708 -3.843 -5.365 1.00 0.00 N ATOM 125 CA GLU A 10 -2.749 -3.807 -4.436 1.00 0.00 C ATOM 126 C GLU A 10 -3.146 -2.362 -4.151 1.00 0.00 C ATOM 127 O GLU A 10 -2.776 -1.761 -3.141 1.00 0.00 O ATOM 128 CB GLU A 10 -2.356 -4.599 -3.209 1.00 0.00 C ATOM 129 CG GLU A 10 -3.394 -4.651 -2.146 1.00 0.00 C ATOM 130 CD GLU A 10 -4.703 -5.139 -2.669 1.00 0.00 C ATOM 131 OE1 GLU A 10 -4.806 -6.313 -3.018 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.652 -4.341 -2.762 1.00 0.00 O ATOM 0 H GLU A 10 -0.778 -3.894 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.644 -4.285 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.114 -5.618 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.447 -4.167 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.058 -5.306 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.523 -3.658 -1.716 1.00 0.00 H new ATOM 139 N ARG A 11 -3.849 -1.812 -5.112 1.00 0.00 N ATOM 140 CA ARG A 11 -4.320 -0.428 -5.121 1.00 0.00 C ATOM 141 C ARG A 11 -5.138 -0.088 -3.890 1.00 0.00 C ATOM 142 O ARG A 11 -5.050 1.031 -3.365 1.00 0.00 O ATOM 143 CB ARG A 11 -5.136 -0.147 -6.382 1.00 0.00 C ATOM 144 CG ARG A 11 -4.356 -0.281 -7.683 1.00 0.00 C ATOM 145 CD ARG A 11 -3.169 0.676 -7.731 1.00 0.00 C ATOM 146 NE ARG A 11 -3.573 2.082 -7.560 1.00 0.00 N ATOM 147 CZ ARG A 11 -2.725 3.116 -7.445 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.419 2.911 -7.390 1.00 0.00 N ATOM 149 NH2 ARG A 11 -3.193 4.343 -7.352 1.00 0.00 N ATOM 0 H ARG A 11 -4.125 -2.329 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.434 0.207 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.985 -0.831 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.542 0.863 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.001 -1.306 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.018 -0.082 -8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.458 0.408 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.653 0.563 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.572 2.285 -7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.049 1.961 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.782 3.703 -7.303 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.200 4.507 -7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.549 5.129 -7.265 1.00 0.00 H new ATOM 163 N LEU A 12 -5.887 -1.060 -3.394 1.00 0.00 N ATOM 164 CA LEU A 12 -6.713 -0.860 -2.216 1.00 0.00 C ATOM 165 C LEU A 12 -5.849 -0.647 -0.981 1.00 0.00 C ATOM 166 O LEU A 12 -6.309 -0.109 0.023 1.00 0.00 O ATOM 167 CB LEU A 12 -7.680 -2.023 -2.015 1.00 0.00 C ATOM 168 CG LEU A 12 -8.654 -2.286 -3.167 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.543 -3.470 -2.853 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.496 -1.054 -3.461 1.00 0.00 C ATOM 0 H LEU A 12 -5.939 -1.998 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.308 0.040 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.099 -2.929 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.259 -1.838 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.068 -2.518 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.228 -3.641 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.928 -4.357 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.114 -3.266 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.179 -1.268 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.069 -0.785 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.844 -0.225 -3.737 1.00 0.00 H new ATOM 182 N CYS A 13 -4.619 -1.091 -1.049 1.00 0.00 N ATOM 183 CA CYS A 13 -3.663 -0.833 -0.012 1.00 0.00 C ATOM 184 C CYS A 13 -2.956 0.501 -0.292 1.00 0.00 C ATOM 185 O CYS A 13 -2.924 1.388 0.564 1.00 0.00 O ATOM 186 CB CYS A 13 -2.657 -1.982 0.100 1.00 0.00 C ATOM 187 SG CYS A 13 -1.351 -1.706 1.324 1.00 0.00 S ATOM 0 H CYS A 13 -4.256 -1.642 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.181 -0.762 0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.193 -2.896 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.198 -2.145 -0.875 1.00 0.00 H new ATOM 192 N VAL A 14 -2.476 0.656 -1.542 1.00 0.00 N ATOM 193 CA VAL A 14 -1.691 1.830 -1.998 1.00 0.00 C ATOM 194 C VAL A 14 -2.380 3.164 -1.672 1.00 0.00 C ATOM 195 O VAL A 14 -1.715 4.122 -1.250 1.00 0.00 O ATOM 196 CB VAL A 14 -1.412 1.775 -3.531 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.525 2.930 -3.978 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.788 0.455 -3.933 1.00 0.00 C ATOM 0 H VAL A 14 -2.622 -0.037 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.749 1.781 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.375 1.867 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.351 2.861 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.017 3.876 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.428 2.881 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.607 0.451 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.157 0.323 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.464 -0.360 -3.676 1.00 0.00 H new ATOM 208 N VAL A 15 -3.707 3.209 -1.841 1.00 0.00 N ATOM 209 CA VAL A 15 -4.511 4.417 -1.570 1.00 0.00 C ATOM 210 C VAL A 15 -4.246 4.990 -0.146 1.00 0.00 C ATOM 211 O VAL A 15 -4.245 6.211 0.058 1.00 0.00 O ATOM 212 CB VAL A 15 -6.039 4.148 -1.794 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.568 3.070 -0.867 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.863 5.422 -1.672 1.00 0.00 C ATOM 0 H VAL A 15 -4.256 2.414 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.194 5.175 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.143 3.783 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.630 2.916 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.029 2.140 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.425 3.379 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.916 5.191 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.733 5.845 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.531 6.143 -2.419 1.00 0.00 H new ATOM 224 N HIS A 16 -3.939 4.106 0.792 1.00 0.00 N ATOM 225 CA HIS A 16 -3.642 4.487 2.169 1.00 0.00 C ATOM 226 C HIS A 16 -2.326 5.251 2.234 1.00 0.00 C ATOM 227 O HIS A 16 -2.233 6.295 2.856 1.00 0.00 O ATOM 228 CB HIS A 16 -3.614 3.232 3.066 1.00 0.00 C ATOM 229 CG HIS A 16 -3.066 3.424 4.446 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.731 4.050 5.477 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.873 3.048 4.942 1.00 0.00 C ATOM 232 CE1 HIS A 16 -2.930 4.038 6.547 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.784 3.433 6.270 1.00 0.00 N ATOM 0 H HIS A 16 -3.888 3.102 0.621 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.426 5.149 2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.630 2.847 3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.023 2.465 2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.104 2.527 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.182 4.464 7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.999 3.282 6.903 1.00 0.00 H new ATOM 241 N CYS A 17 -1.342 4.750 1.546 1.00 0.00 N ATOM 242 CA CYS A 17 -0.025 5.360 1.514 1.00 0.00 C ATOM 243 C CYS A 17 -0.090 6.693 0.789 1.00 0.00 C ATOM 244 O CYS A 17 0.550 7.678 1.191 1.00 0.00 O ATOM 245 CB CYS A 17 0.932 4.404 0.840 1.00 0.00 C ATOM 246 SG CYS A 17 0.912 2.749 1.607 1.00 0.00 S ATOM 0 H CYS A 17 -1.421 3.902 0.985 1.00 0.00 H new ATOM 0 HA CYS A 17 0.330 5.556 2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.672 4.316 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.942 4.811 0.886 1.00 0.00 H new ATOM 251 N LEU A 18 -0.921 6.746 -0.231 1.00 0.00 N ATOM 252 CA LEU A 18 -1.148 7.966 -0.979 1.00 0.00 C ATOM 253 C LEU A 18 -1.876 8.980 -0.104 1.00 0.00 C ATOM 254 O LEU A 18 -1.690 10.186 -0.243 1.00 0.00 O ATOM 255 CB LEU A 18 -1.947 7.668 -2.242 1.00 0.00 C ATOM 256 CG LEU A 18 -1.281 6.726 -3.245 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.210 6.454 -4.411 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.042 7.306 -3.737 1.00 0.00 C ATOM 0 H LEU A 18 -1.458 5.946 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.188 8.389 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.905 7.238 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.161 8.611 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.071 5.782 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.721 5.782 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.127 5.992 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.451 7.392 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.498 6.619 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.139 8.265 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.714 7.449 -2.891 1.00 0.00 H new ATOM 270 N ALA A 19 -2.692 8.477 0.804 1.00 0.00 N ATOM 271 CA ALA A 19 -3.384 9.311 1.756 1.00 0.00 C ATOM 272 C ALA A 19 -2.420 9.825 2.817 1.00 0.00 C ATOM 273 O ALA A 19 -2.512 10.979 3.238 1.00 0.00 O ATOM 274 CB ALA A 19 -4.539 8.556 2.388 1.00 0.00 C ATOM 0 H ALA A 19 -2.890 7.481 0.898 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.794 10.172 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.048 9.202 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.241 8.249 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.159 7.674 2.903 1.00 0.00 H new ATOM 280 N LYS A 20 -1.486 8.976 3.230 1.00 0.00 N ATOM 281 CA LYS A 20 -0.485 9.357 4.228 1.00 0.00 C ATOM 282 C LYS A 20 0.504 10.362 3.644 1.00 0.00 C ATOM 283 O LYS A 20 1.122 11.135 4.372 1.00 0.00 O ATOM 284 CB LYS A 20 0.279 8.138 4.771 1.00 0.00 C ATOM 285 CG LYS A 20 -0.600 7.054 5.380 1.00 0.00 C ATOM 286 CD LYS A 20 0.222 5.932 6.008 1.00 0.00 C ATOM 287 CE LYS A 20 0.838 6.334 7.344 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.184 6.564 8.397 1.00 0.00 N ATOM 0 H LYS A 20 -1.398 8.018 2.891 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.023 9.817 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.861 7.701 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.988 8.478 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.247 7.496 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.249 6.639 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.414 5.058 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.015 5.639 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.524 5.554 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.427 7.241 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.276 6.583 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.659 7.473 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.886 5.797 8.373 1.00 0.00 H new ATOM 302 N GLY A 21 0.671 10.319 2.334 1.00 0.00 N ATOM 303 CA GLY A 21 1.538 11.271 1.667 1.00 0.00 C ATOM 304 C GLY A 21 2.832 10.636 1.241 1.00 0.00 C ATOM 305 O GLY A 21 3.859 11.308 1.088 1.00 0.00 O ATOM 0 H GLY A 21 0.222 9.642 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.028 11.680 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.745 12.107 2.336 1.00 0.00 H new ATOM 309 N PHE A 22 2.782 9.346 1.056 1.00 0.00 N ATOM 310 CA PHE A 22 3.923 8.564 0.658 1.00 0.00 C ATOM 311 C PHE A 22 4.095 8.542 -0.835 1.00 0.00 C ATOM 312 O PHE A 22 3.187 8.925 -1.576 1.00 0.00 O ATOM 313 CB PHE A 22 3.798 7.131 1.209 1.00 0.00 C ATOM 314 CG PHE A 22 4.489 6.962 2.496 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.816 6.655 2.494 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.833 7.100 3.697 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.501 6.483 3.646 1.00 0.00 C ATOM 318 CE2 PHE A 22 4.514 6.929 4.879 1.00 0.00 C ATOM 319 CZ PHE A 22 5.858 6.618 4.854 1.00 0.00 C ATOM 0 H PHE A 22 1.931 8.797 1.180 1.00 0.00 H new ATOM 0 HA PHE A 22 4.812 9.034 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.744 6.882 1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.210 6.429 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.332 6.547 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.781 7.343 3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.553 6.240 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.000 7.038 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.402 6.481 5.777 1.00 0.00 H new ATOM 329 N ARG A 23 5.277 8.109 -1.268 1.00 0.00 N ATOM 330 CA ARG A 23 5.590 7.897 -2.684 1.00 0.00 C ATOM 331 C ARG A 23 4.662 6.860 -3.249 1.00 0.00 C ATOM 332 O ARG A 23 4.340 6.863 -4.438 1.00 0.00 O ATOM 333 CB ARG A 23 7.028 7.411 -2.835 1.00 0.00 C ATOM 334 CG ARG A 23 8.078 8.467 -2.610 1.00 0.00 C ATOM 335 CD ARG A 23 8.106 9.450 -3.756 1.00 0.00 C ATOM 336 NE ARG A 23 8.489 8.788 -5.012 1.00 0.00 N ATOM 337 CZ ARG A 23 8.212 9.224 -6.247 1.00 0.00 C ATOM 338 NH1 ARG A 23 7.478 10.315 -6.427 1.00 0.00 N ATOM 339 NH2 ARG A 23 8.675 8.556 -7.295 1.00 0.00 N ATOM 0 H ARG A 23 6.053 7.893 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 23 5.469 8.839 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.197 6.595 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.155 7.000 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.876 8.994 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.056 7.997 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.124 9.910 -3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.810 10.252 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 23 9.014 7.917 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.120 10.828 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.271 10.641 -7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.238 7.717 -7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.468 8.882 -8.239 1.00 0.00 H new ATOM 353 N GLY A 24 4.227 5.993 -2.381 1.00 0.00 N ATOM 354 CA GLY A 24 3.333 4.976 -2.741 1.00 0.00 C ATOM 355 C GLY A 24 3.364 3.909 -1.723 1.00 0.00 C ATOM 356 O GLY A 24 4.038 4.046 -0.681 1.00 0.00 O ATOM 0 H GLY A 24 4.497 5.988 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.324 5.379 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.601 4.570 -3.716 1.00 0.00 H new ATOM 360 N GLY A 25 2.655 2.880 -1.976 1.00 0.00 N ATOM 361 CA GLY A 25 2.579 1.803 -1.075 1.00 0.00 C ATOM 362 C GLY A 25 2.511 0.554 -1.833 1.00 0.00 C ATOM 363 O GLY A 25 2.262 0.591 -3.045 1.00 0.00 O ATOM 0 H GLY A 25 2.104 2.761 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.449 1.799 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.700 1.906 -0.438 1.00 0.00 H new ATOM 367 N TRP A 26 2.728 -0.534 -1.185 1.00 0.00 N ATOM 368 CA TRP A 26 2.716 -1.788 -1.846 1.00 0.00 C ATOM 369 C TRP A 26 2.540 -2.881 -0.839 1.00 0.00 C ATOM 370 O TRP A 26 2.901 -2.734 0.342 1.00 0.00 O ATOM 371 CB TRP A 26 4.043 -2.018 -2.637 1.00 0.00 C ATOM 372 CG TRP A 26 5.248 -2.384 -1.787 1.00 0.00 C ATOM 373 CD1 TRP A 26 5.880 -3.591 -1.762 1.00 0.00 C ATOM 374 CD2 TRP A 26 5.941 -1.561 -0.834 1.00 0.00 C ATOM 375 NE1 TRP A 26 6.919 -3.563 -0.868 1.00 0.00 N ATOM 376 CE2 TRP A 26 6.977 -2.340 -0.287 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.789 -0.249 -0.398 1.00 0.00 C ATOM 378 CZ2 TRP A 26 7.848 -1.855 0.672 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.651 0.245 0.555 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.675 -0.558 1.085 1.00 0.00 C ATOM 0 H TRP A 26 2.918 -0.580 -0.184 1.00 0.00 H new ATOM 0 HA TRP A 26 1.887 -1.796 -2.554 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.879 -2.811 -3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.275 -1.112 -3.197 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.602 -4.446 -2.360 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.549 -4.340 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.005 0.374 -0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.634 -2.473 1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.539 1.262 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.338 -0.147 1.831 1.00 0.00 H new ATOM 391 N CYS A 27 1.943 -3.926 -1.271 1.00 0.00 N ATOM 392 CA CYS A 27 1.918 -5.117 -0.512 1.00 0.00 C ATOM 393 C CYS A 27 3.092 -5.925 -0.914 1.00 0.00 C ATOM 394 O CYS A 27 3.272 -6.208 -2.100 1.00 0.00 O ATOM 395 CB CYS A 27 0.648 -5.894 -0.732 1.00 0.00 C ATOM 396 SG CYS A 27 -0.777 -5.172 0.079 1.00 0.00 S ATOM 0 H CYS A 27 1.455 -3.980 -2.165 1.00 0.00 H new ATOM 0 HA CYS A 27 1.955 -4.874 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.453 -5.961 -1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.786 -6.912 -0.369 1.00 0.00 H new ATOM 401 N ASP A 28 3.912 -6.238 0.034 1.00 0.00 N ATOM 402 CA ASP A 28 5.104 -7.020 -0.211 1.00 0.00 C ATOM 403 C ASP A 28 4.709 -8.499 -0.340 1.00 0.00 C ATOM 404 O ASP A 28 3.533 -8.854 -0.168 1.00 0.00 O ATOM 405 CB ASP A 28 6.104 -6.787 0.952 1.00 0.00 C ATOM 406 CG ASP A 28 7.422 -7.507 0.841 1.00 0.00 C ATOM 407 OD1 ASP A 28 7.498 -8.672 1.245 1.00 0.00 O ATOM 408 OD2 ASP A 28 8.401 -6.924 0.372 1.00 0.00 O ATOM 0 H ASP A 28 3.784 -5.963 1.008 1.00 0.00 H new ATOM 0 HA ASP A 28 5.589 -6.718 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.301 -5.718 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.625 -7.089 1.883 1.00 0.00 H new ATOM 413 N SER A 29 5.674 -9.338 -0.566 1.00 0.00 N ATOM 414 CA SER A 29 5.482 -10.768 -0.734 1.00 0.00 C ATOM 415 C SER A 29 5.005 -11.342 0.585 1.00 0.00 C ATOM 416 O SER A 29 4.189 -12.267 0.634 1.00 0.00 O ATOM 417 CB SER A 29 6.808 -11.432 -1.143 1.00 0.00 C ATOM 418 OG SER A 29 6.654 -12.835 -1.340 1.00 0.00 O ATOM 0 H SER A 29 6.649 -9.050 -0.643 1.00 0.00 H new ATOM 0 HA SER A 29 4.745 -10.957 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.177 -10.974 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.558 -11.252 -0.373 1.00 0.00 H new ATOM 0 HG SER A 29 7.514 -13.225 -1.600 1.00 0.00 H new ATOM 424 N ARG A 30 5.450 -10.701 1.650 1.00 0.00 N ATOM 425 CA ARG A 30 5.123 -11.067 3.011 1.00 0.00 C ATOM 426 C ARG A 30 3.692 -10.636 3.374 1.00 0.00 C ATOM 427 O ARG A 30 3.273 -10.762 4.516 1.00 0.00 O ATOM 428 CB ARG A 30 6.151 -10.418 3.933 1.00 0.00 C ATOM 429 CG ARG A 30 7.545 -11.009 3.775 1.00 0.00 C ATOM 430 CD ARG A 30 8.624 -10.102 4.340 1.00 0.00 C ATOM 431 NE ARG A 30 8.845 -8.921 3.490 1.00 0.00 N ATOM 432 CZ ARG A 30 9.653 -7.882 3.753 1.00 0.00 C ATOM 433 NH1 ARG A 30 10.291 -7.784 4.918 1.00 0.00 N ATOM 434 NH2 ARG A 30 9.828 -6.944 2.827 1.00 0.00 N ATOM 0 H ARG A 30 6.065 -9.890 1.588 1.00 0.00 H new ATOM 0 HA ARG A 30 5.158 -12.151 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.190 -9.348 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.828 -10.534 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.586 -11.975 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.743 -11.190 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.341 -9.781 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.555 -10.661 4.436 1.00 0.00 H new ATOM 0 HE ARG A 30 8.331 -8.889 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.170 -8.506 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.901 -6.987 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.351 -7.019 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.440 -6.150 3.015 1.00 0.00 H new ATOM 448 N LYS A 31 2.965 -10.106 2.368 1.00 0.00 N ATOM 449 CA LYS A 31 1.545 -9.710 2.470 1.00 0.00 C ATOM 450 C LYS A 31 1.361 -8.560 3.445 1.00 0.00 C ATOM 451 O LYS A 31 0.281 -8.363 4.012 1.00 0.00 O ATOM 452 CB LYS A 31 0.648 -10.907 2.859 1.00 0.00 C ATOM 453 CG LYS A 31 0.770 -12.127 1.943 1.00 0.00 C ATOM 454 CD LYS A 31 0.518 -11.781 0.481 1.00 0.00 C ATOM 455 CE LYS A 31 0.551 -13.026 -0.402 1.00 0.00 C ATOM 456 NZ LYS A 31 1.826 -13.777 -0.284 1.00 0.00 N ATOM 0 H LYS A 31 3.358 -9.938 1.442 1.00 0.00 H new ATOM 0 HA LYS A 31 1.234 -9.368 1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.892 -11.209 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.391 -10.577 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.766 -12.557 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.059 -12.890 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.450 -11.290 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.271 -11.071 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.278 -13.680 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.401 -12.734 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.082 -14.175 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.579 -13.135 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.712 -14.548 0.404 1.00 0.00 H new ATOM 470 N VAL A 32 2.402 -7.798 3.603 1.00 0.00 N ATOM 471 CA VAL A 32 2.396 -6.669 4.488 1.00 0.00 C ATOM 472 C VAL A 32 2.189 -5.410 3.680 1.00 0.00 C ATOM 473 O VAL A 32 2.836 -5.225 2.622 1.00 0.00 O ATOM 474 CB VAL A 32 3.738 -6.554 5.273 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.710 -5.401 6.276 1.00 0.00 C ATOM 476 CG2 VAL A 32 4.076 -7.861 5.971 1.00 0.00 C ATOM 0 H VAL A 32 3.287 -7.943 3.118 1.00 0.00 H new ATOM 0 HA VAL A 32 1.588 -6.803 5.208 1.00 0.00 H new ATOM 0 HB VAL A 32 4.520 -6.340 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.663 -5.354 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.541 -4.463 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.906 -5.563 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.017 -7.753 6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.282 -8.114 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.172 -8.655 5.230 1.00 0.00 H new ATOM 486 N CYS A 33 1.282 -4.597 4.136 1.00 0.00 N ATOM 487 CA CYS A 33 1.050 -3.307 3.563 1.00 0.00 C ATOM 488 C CYS A 33 2.101 -2.341 4.039 1.00 0.00 C ATOM 489 O CYS A 33 2.162 -1.988 5.226 1.00 0.00 O ATOM 490 CB CYS A 33 -0.340 -2.783 3.901 1.00 0.00 C ATOM 491 SG CYS A 33 -1.611 -3.184 2.684 1.00 0.00 S ATOM 0 H CYS A 33 0.676 -4.815 4.927 1.00 0.00 H new ATOM 0 HA CYS A 33 1.110 -3.404 2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.641 -3.187 4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.289 -1.700 4.010 1.00 0.00 H new ATOM 496 N ASN A 34 2.948 -1.946 3.144 1.00 0.00 N ATOM 497 CA ASN A 34 3.999 -1.035 3.477 1.00 0.00 C ATOM 498 C ASN A 34 3.848 0.222 2.672 1.00 0.00 C ATOM 499 O ASN A 34 3.390 0.182 1.529 1.00 0.00 O ATOM 500 CB ASN A 34 5.372 -1.640 3.199 1.00 0.00 C ATOM 501 CG ASN A 34 5.739 -2.830 4.052 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.310 -2.685 5.124 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.463 -4.012 3.569 1.00 0.00 N ATOM 0 H ASN A 34 2.933 -2.242 2.168 1.00 0.00 H new ATOM 0 HA ASN A 34 3.927 -0.816 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.414 -1.938 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.127 -0.866 3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.725 -4.849 4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.986 -4.098 2.672 1.00 0.00 H new ATOM 510 N CYS A 35 4.197 1.327 3.256 1.00 0.00 N ATOM 511 CA CYS A 35 4.166 2.596 2.566 1.00 0.00 C ATOM 512 C CYS A 35 5.575 3.132 2.450 1.00 0.00 C ATOM 513 O CYS A 35 6.235 3.318 3.481 1.00 0.00 O ATOM 514 CB CYS A 35 3.282 3.594 3.311 1.00 0.00 C ATOM 515 SG CYS A 35 1.543 3.072 3.510 1.00 0.00 S ATOM 0 H CYS A 35 4.513 1.383 4.224 1.00 0.00 H new ATOM 0 HA CYS A 35 3.746 2.451 1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.709 3.771 4.298 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.303 4.545 2.779 1.00 0.00 H new ATOM 520 N ARG A 36 6.040 3.369 1.198 1.00 0.00 N ATOM 521 CA ARG A 36 7.395 3.880 0.919 1.00 0.00 C ATOM 522 C ARG A 36 7.673 3.867 -0.589 1.00 0.00 C ATOM 523 O ARG A 36 8.227 4.813 -1.132 1.00 0.00 O ATOM 524 CB ARG A 36 8.459 3.028 1.621 1.00 0.00 C ATOM 525 CG ARG A 36 9.855 3.580 1.557 1.00 0.00 C ATOM 526 CD ARG A 36 10.802 2.671 2.298 1.00 0.00 C ATOM 527 NE ARG A 36 12.161 3.188 2.343 1.00 0.00 N ATOM 528 CZ ARG A 36 13.198 2.533 2.882 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.016 1.342 3.439 1.00 0.00 N ATOM 530 NH2 ARG A 36 14.405 3.071 2.869 1.00 0.00 N ATOM 0 H ARG A 36 5.483 3.210 0.358 1.00 0.00 H new ATOM 0 HA ARG A 36 7.444 4.901 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.178 2.911 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.457 2.032 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.169 3.677 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.881 4.579 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.439 2.528 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.807 1.691 1.820 1.00 0.00 H new ATOM 0 HE ARG A 36 12.336 4.108 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.086 0.924 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.806 0.845 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.550 3.988 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.192 2.569 3.281 1.00 0.00 H new ATOM 544 N ARG A 37 7.270 2.794 -1.245 1.00 0.00 N ATOM 545 CA ARG A 37 7.564 2.580 -2.658 1.00 0.00 C ATOM 546 C ARG A 37 6.517 3.213 -3.542 1.00 0.00 C ATOM 547 O ARG A 37 6.731 4.343 -3.990 1.00 0.00 O ATOM 548 CB ARG A 37 7.649 1.088 -2.967 1.00 0.00 C ATOM 549 CG ARG A 37 8.715 0.343 -2.198 1.00 0.00 C ATOM 550 CD ARG A 37 10.094 0.791 -2.586 1.00 0.00 C ATOM 551 NE ARG A 37 10.335 0.589 -4.024 1.00 0.00 N ATOM 552 CZ ARG A 37 11.008 1.426 -4.819 1.00 0.00 C ATOM 553 NH1 ARG A 37 11.567 2.520 -4.320 1.00 0.00 N ATOM 554 NH2 ARG A 37 11.128 1.154 -6.110 1.00 0.00 N ATOM 555 OXT ARG A 37 5.487 2.565 -3.807 1.00 0.00 O ATOM 0 H ARG A 37 6.729 2.043 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 37 8.525 3.051 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.682 0.632 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.835 0.962 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.569 0.499 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.615 -0.727 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.220 1.845 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.835 0.237 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 37 9.958 -0.259 -4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.484 2.726 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.080 3.155 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.707 0.308 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.641 1.791 -6.720 1.00 0.00 H new