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 Set 1.1: A 16 HIS : no HE2:sc= -0.976 K(o=-0.5,f=-5.3!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 143:sc= 0.476 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 1.26 K(o=1.3,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -5.880 -1.581 4.932 1.00 0.00 N ATOM 11 CA ILE A 2 -4.861 -2.305 4.234 1.00 0.00 C ATOM 12 C ILE A 2 -5.070 -3.814 4.316 1.00 0.00 C ATOM 13 O ILE A 2 -5.100 -4.406 5.388 1.00 0.00 O ATOM 14 CB ILE A 2 -3.460 -1.909 4.731 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.353 -2.013 6.270 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.125 -0.515 4.244 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.010 -1.613 6.826 1.00 0.00 C ATOM 0 HA ILE A 2 -4.936 -2.030 3.182 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.732 -2.608 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.121 -1.384 6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.566 -3.039 6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.132 -0.235 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.142 -0.496 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.860 0.192 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.020 -1.715 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.237 -2.258 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.801 -0.577 6.561 1.00 0.00 H new ATOM 29 N THR A 3 -5.273 -4.401 3.192 1.00 0.00 N ATOM 30 CA THR A 3 -5.439 -5.828 3.060 1.00 0.00 C ATOM 31 C THR A 3 -4.788 -6.215 1.757 1.00 0.00 C ATOM 32 O THR A 3 -4.914 -5.475 0.784 1.00 0.00 O ATOM 33 CB THR A 3 -6.935 -6.228 3.033 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.615 -5.602 4.132 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.083 -7.734 3.185 1.00 0.00 C ATOM 0 H THR A 3 -5.332 -3.900 2.306 1.00 0.00 H new ATOM 0 HA THR A 3 -4.988 -6.338 3.911 1.00 0.00 H new ATOM 0 HB THR A 3 -7.361 -5.909 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.562 -5.853 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.140 -8.000 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.567 -8.235 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.649 -8.048 4.134 1.00 0.00 H new ATOM 43 N CYS A 4 -4.101 -7.313 1.719 1.00 0.00 N ATOM 44 CA CYS A 4 -3.402 -7.679 0.523 1.00 0.00 C ATOM 45 C CYS A 4 -3.936 -8.931 -0.110 1.00 0.00 C ATOM 46 O CYS A 4 -3.797 -10.035 0.442 1.00 0.00 O ATOM 47 CB CYS A 4 -1.923 -7.819 0.799 1.00 0.00 C ATOM 48 SG CYS A 4 -1.186 -6.320 1.498 1.00 0.00 S ATOM 0 H CYS A 4 -4.008 -7.969 2.495 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.564 -6.873 -0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.765 -8.649 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.409 -8.071 -0.128 1.00 0.00 H new ATOM 53 N ASP A 5 -4.568 -8.762 -1.243 1.00 0.00 N ATOM 54 CA ASP A 5 -4.992 -9.873 -2.062 1.00 0.00 C ATOM 55 C ASP A 5 -3.959 -10.006 -3.161 1.00 0.00 C ATOM 56 O ASP A 5 -3.543 -11.109 -3.539 1.00 0.00 O ATOM 57 CB ASP A 5 -6.387 -9.620 -2.656 1.00 0.00 C ATOM 58 CG ASP A 5 -6.876 -10.769 -3.534 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.177 -11.859 -2.993 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.019 -10.594 -4.766 1.00 0.00 O ATOM 0 H ASP A 5 -4.805 -7.847 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.066 -10.787 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.098 -9.461 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.365 -8.703 -3.245 1.00 0.00 H new ATOM 65 N LEU A 6 -3.498 -8.857 -3.619 1.00 0.00 N ATOM 66 CA LEU A 6 -2.464 -8.764 -4.586 1.00 0.00 C ATOM 67 C LEU A 6 -1.199 -8.248 -3.953 1.00 0.00 C ATOM 68 O LEU A 6 -1.208 -7.646 -2.879 1.00 0.00 O ATOM 69 CB LEU A 6 -2.863 -7.850 -5.748 1.00 0.00 C ATOM 70 CG LEU A 6 -3.983 -8.350 -6.646 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.293 -7.330 -7.725 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.593 -9.671 -7.273 1.00 0.00 C ATOM 0 H LEU A 6 -3.852 -7.952 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.293 -9.766 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.159 -6.885 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.981 -7.677 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.878 -8.495 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.097 -7.704 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.602 -6.393 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.403 -7.159 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.401 -10.022 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.689 -9.539 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.408 -10.405 -6.489 1.00 0.00 H new ATOM 84 N ILE A 7 -0.137 -8.505 -4.610 1.00 0.00 N ATOM 85 CA ILE A 7 1.166 -8.047 -4.233 1.00 0.00 C ATOM 86 C ILE A 7 1.547 -6.923 -5.173 1.00 0.00 C ATOM 87 O ILE A 7 1.528 -7.094 -6.391 1.00 0.00 O ATOM 88 CB ILE A 7 2.195 -9.205 -4.320 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.805 -10.303 -3.325 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.619 -8.709 -4.051 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.637 -11.557 -3.420 1.00 0.00 C ATOM 0 H ILE A 7 -0.137 -9.063 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 7 1.161 -7.692 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 7 2.181 -9.611 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.885 -9.905 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.758 -10.564 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.315 -9.545 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.886 -7.953 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.671 -8.275 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.292 -12.279 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.538 -11.984 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.683 -11.315 -3.231 1.00 0.00 H new ATOM 103 N GLY A 8 1.799 -5.764 -4.618 1.00 0.00 N ATOM 104 CA GLY A 8 2.170 -4.597 -5.407 1.00 0.00 C ATOM 105 C GLY A 8 0.998 -3.917 -6.130 1.00 0.00 C ATOM 106 O GLY A 8 0.921 -2.693 -6.170 1.00 0.00 O ATOM 0 H GLY A 8 1.756 -5.594 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.648 -3.869 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.913 -4.896 -6.147 1.00 0.00 H new ATOM 110 N ASN A 9 0.066 -4.706 -6.639 1.00 0.00 N ATOM 111 CA ASN A 9 -1.055 -4.197 -7.461 1.00 0.00 C ATOM 112 C ASN A 9 -2.261 -3.941 -6.604 1.00 0.00 C ATOM 113 O ASN A 9 -3.347 -3.603 -7.086 1.00 0.00 O ATOM 114 CB ASN A 9 -1.436 -5.208 -8.561 1.00 0.00 C ATOM 115 CG ASN A 9 -0.359 -5.430 -9.600 1.00 0.00 C ATOM 116 OD1 ASN A 9 0.453 -4.541 -9.882 1.00 0.00 O ATOM 117 ND2 ASN A 9 -0.343 -6.601 -10.189 1.00 0.00 N ATOM 0 H ASN A 9 0.052 -5.717 -6.503 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.726 -3.267 -7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.676 -6.163 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.341 -4.861 -9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.355 -6.802 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.028 -7.311 -9.931 1.00 0.00 H new ATOM 124 N GLU A 10 -2.055 -4.056 -5.343 1.00 0.00 N ATOM 125 CA GLU A 10 -3.079 -3.953 -4.384 1.00 0.00 C ATOM 126 C GLU A 10 -3.324 -2.489 -4.039 1.00 0.00 C ATOM 127 O GLU A 10 -2.849 -1.957 -3.028 1.00 0.00 O ATOM 128 CB GLU A 10 -2.699 -4.776 -3.181 1.00 0.00 C ATOM 129 CG GLU A 10 -3.731 -4.810 -2.122 1.00 0.00 C ATOM 130 CD GLU A 10 -5.011 -5.412 -2.611 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.031 -6.617 -2.896 1.00 0.00 O ATOM 132 OE2 GLU A 10 -6.013 -4.686 -2.734 1.00 0.00 O ATOM 0 H GLU A 10 -1.134 -4.231 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.018 -4.344 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.491 -5.796 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.775 -4.380 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.361 -5.384 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.919 -3.797 -1.765 1.00 0.00 H new ATOM 139 N ARG A 11 -4.008 -1.847 -4.936 1.00 0.00 N ATOM 140 CA ARG A 11 -4.327 -0.428 -4.861 1.00 0.00 C ATOM 141 C ARG A 11 -5.107 -0.045 -3.612 1.00 0.00 C ATOM 142 O ARG A 11 -4.951 1.062 -3.114 1.00 0.00 O ATOM 143 CB ARG A 11 -5.036 0.046 -6.113 1.00 0.00 C ATOM 144 CG ARG A 11 -4.208 -0.125 -7.368 1.00 0.00 C ATOM 145 CD ARG A 11 -4.868 0.525 -8.562 1.00 0.00 C ATOM 146 NE ARG A 11 -5.014 1.977 -8.391 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.611 2.795 -9.258 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.059 2.324 -10.424 1.00 0.00 N ATOM 149 NH2 ARG A 11 -5.747 4.093 -8.964 1.00 0.00 N ATOM 0 H ARG A 11 -4.378 -2.298 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.369 0.087 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.970 -0.504 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.297 1.098 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.221 0.311 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.061 -1.187 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.278 0.323 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.850 0.079 -8.721 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.628 2.392 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.945 1.337 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.516 2.952 -11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.394 4.455 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.203 4.721 -9.626 1.00 0.00 H new ATOM 163 N LEU A 12 -5.910 -0.965 -3.086 1.00 0.00 N ATOM 164 CA LEU A 12 -6.656 -0.723 -1.843 1.00 0.00 C ATOM 165 C LEU A 12 -5.699 -0.580 -0.664 1.00 0.00 C ATOM 166 O LEU A 12 -6.043 -0.010 0.377 1.00 0.00 O ATOM 167 CB LEU A 12 -7.675 -1.835 -1.583 1.00 0.00 C ATOM 168 CG LEU A 12 -8.853 -1.913 -2.560 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.693 -3.137 -2.277 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.712 -0.659 -2.465 1.00 0.00 C ATOM 0 H LEU A 12 -6.065 -1.886 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.206 0.211 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.151 -2.791 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.072 -1.707 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.453 -1.986 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.525 -3.177 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.081 -4.032 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.080 -3.086 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.543 -0.733 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.100 -0.560 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.108 0.215 -2.709 1.00 0.00 H new ATOM 182 N CYS A 13 -4.516 -1.110 -0.831 1.00 0.00 N ATOM 183 CA CYS A 13 -3.470 -0.948 0.128 1.00 0.00 C ATOM 184 C CYS A 13 -2.698 0.332 -0.183 1.00 0.00 C ATOM 185 O CYS A 13 -2.528 1.197 0.676 1.00 0.00 O ATOM 186 CB CYS A 13 -2.552 -2.165 0.105 1.00 0.00 C ATOM 187 SG CYS A 13 -1.033 -1.985 1.055 1.00 0.00 S ATOM 0 H CYS A 13 -4.255 -1.669 -1.644 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.892 -0.866 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.103 -3.025 0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.292 -2.387 -0.930 1.00 0.00 H new ATOM 192 N VAL A 14 -2.307 0.475 -1.457 1.00 0.00 N ATOM 193 CA VAL A 14 -1.511 1.616 -1.943 1.00 0.00 C ATOM 194 C VAL A 14 -2.185 2.956 -1.606 1.00 0.00 C ATOM 195 O VAL A 14 -1.511 3.915 -1.206 1.00 0.00 O ATOM 196 CB VAL A 14 -1.291 1.538 -3.484 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.379 2.656 -3.977 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.741 0.181 -3.901 1.00 0.00 C ATOM 0 H VAL A 14 -2.535 -0.201 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.547 1.562 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.267 1.667 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.248 2.570 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.827 3.621 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.591 2.577 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.600 0.162 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.215 0.009 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.444 -0.601 -3.613 1.00 0.00 H new ATOM 208 N VAL A 15 -3.514 2.998 -1.729 1.00 0.00 N ATOM 209 CA VAL A 15 -4.306 4.198 -1.453 1.00 0.00 C ATOM 210 C VAL A 15 -4.105 4.698 -0.015 1.00 0.00 C ATOM 211 O VAL A 15 -4.143 5.894 0.236 1.00 0.00 O ATOM 212 CB VAL A 15 -5.825 3.982 -1.752 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.440 2.939 -0.843 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.601 5.284 -1.668 1.00 0.00 C ATOM 0 H VAL A 15 -4.073 2.197 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.940 4.969 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.891 3.611 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.496 2.822 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.928 1.987 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.340 3.256 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.653 5.095 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.504 5.702 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.204 5.992 -2.396 1.00 0.00 H new ATOM 224 N HIS A 16 -3.822 3.785 0.902 1.00 0.00 N ATOM 225 CA HIS A 16 -3.594 4.141 2.295 1.00 0.00 C ATOM 226 C HIS A 16 -2.337 5.006 2.395 1.00 0.00 C ATOM 227 O HIS A 16 -2.317 6.041 3.078 1.00 0.00 O ATOM 228 CB HIS A 16 -3.473 2.862 3.151 1.00 0.00 C ATOM 229 CG HIS A 16 -3.116 3.071 4.593 1.00 0.00 C ATOM 230 ND1 HIS A 16 -4.003 3.478 5.560 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.934 2.897 5.223 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.355 3.543 6.715 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.088 3.194 6.568 1.00 0.00 N ATOM 0 H HIS A 16 -3.744 2.787 0.705 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.437 4.716 2.677 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.421 2.326 3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.720 2.216 2.700 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.989 3.693 5.415 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.015 2.577 4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.803 3.841 7.652 1.00 0.00 H new ATOM 241 N CYS A 17 -1.332 4.615 1.652 1.00 0.00 N ATOM 242 CA CYS A 17 -0.064 5.312 1.607 1.00 0.00 C ATOM 243 C CYS A 17 -0.221 6.623 0.855 1.00 0.00 C ATOM 244 O CYS A 17 0.310 7.658 1.265 1.00 0.00 O ATOM 245 CB CYS A 17 0.952 4.421 0.920 1.00 0.00 C ATOM 246 SG CYS A 17 1.041 2.755 1.650 1.00 0.00 S ATOM 0 H CYS A 17 -1.369 3.792 1.051 1.00 0.00 H new ATOM 0 HA CYS A 17 0.276 5.539 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.698 4.336 -0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.935 4.889 0.975 1.00 0.00 H new ATOM 251 N LEU A 18 -1.003 6.593 -0.207 1.00 0.00 N ATOM 252 CA LEU A 18 -1.239 7.776 -1.016 1.00 0.00 C ATOM 253 C LEU A 18 -2.037 8.808 -0.224 1.00 0.00 C ATOM 254 O LEU A 18 -1.864 10.004 -0.401 1.00 0.00 O ATOM 255 CB LEU A 18 -1.966 7.406 -2.311 1.00 0.00 C ATOM 256 CG LEU A 18 -1.277 6.357 -3.198 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.088 6.095 -4.451 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.145 6.774 -3.555 1.00 0.00 C ATOM 0 H LEU A 18 -1.489 5.757 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.277 8.214 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.959 7.038 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.104 8.314 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.217 5.431 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.581 5.349 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.076 5.727 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.191 7.020 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.602 6.009 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.122 7.720 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.730 6.891 -2.643 1.00 0.00 H new ATOM 270 N ALA A 19 -2.890 8.330 0.666 1.00 0.00 N ATOM 271 CA ALA A 19 -3.654 9.194 1.542 1.00 0.00 C ATOM 272 C ALA A 19 -2.757 9.784 2.621 1.00 0.00 C ATOM 273 O ALA A 19 -2.828 10.978 2.914 1.00 0.00 O ATOM 274 CB ALA A 19 -4.802 8.430 2.165 1.00 0.00 C ATOM 0 H ALA A 19 -3.070 7.335 0.800 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.065 10.012 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.367 9.093 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.457 8.052 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.411 7.594 2.744 1.00 0.00 H new ATOM 280 N LYS A 20 -1.889 8.946 3.195 1.00 0.00 N ATOM 281 CA LYS A 20 -0.936 9.397 4.219 1.00 0.00 C ATOM 282 C LYS A 20 0.064 10.406 3.670 1.00 0.00 C ATOM 283 O LYS A 20 0.574 11.253 4.409 1.00 0.00 O ATOM 284 CB LYS A 20 -0.180 8.227 4.869 1.00 0.00 C ATOM 285 CG LYS A 20 -0.982 7.435 5.886 1.00 0.00 C ATOM 286 CD LYS A 20 -0.130 6.376 6.561 1.00 0.00 C ATOM 287 CE LYS A 20 -0.851 5.791 7.760 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.128 4.642 8.344 1.00 0.00 N ATOM 0 H LYS A 20 -1.825 7.953 2.970 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.539 9.886 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.155 7.549 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.714 8.617 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.387 8.112 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.831 6.961 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.105 5.584 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.818 6.812 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.975 6.563 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.850 5.475 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.223 4.662 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.530 3.756 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.878 4.698 8.088 1.00 0.00 H new ATOM 302 N GLY A 21 0.354 10.302 2.404 1.00 0.00 N ATOM 303 CA GLY A 21 1.273 11.219 1.789 1.00 0.00 C ATOM 304 C GLY A 21 2.576 10.543 1.519 1.00 0.00 C ATOM 305 O GLY A 21 3.634 10.973 1.989 1.00 0.00 O ATOM 0 H GLY A 21 -0.031 9.594 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.852 11.597 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.430 12.079 2.440 1.00 0.00 H new ATOM 309 N PHE A 22 2.489 9.452 0.824 1.00 0.00 N ATOM 310 CA PHE A 22 3.623 8.667 0.453 1.00 0.00 C ATOM 311 C PHE A 22 3.791 8.646 -1.028 1.00 0.00 C ATOM 312 O PHE A 22 2.829 8.860 -1.771 1.00 0.00 O ATOM 313 CB PHE A 22 3.508 7.237 1.022 1.00 0.00 C ATOM 314 CG PHE A 22 4.043 7.139 2.387 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.260 7.390 3.494 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.351 6.801 2.559 1.00 0.00 C ATOM 317 CE1 PHE A 22 3.798 7.299 4.757 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.895 6.705 3.791 1.00 0.00 C ATOM 319 CZ PHE A 22 5.127 6.952 4.908 1.00 0.00 C ATOM 0 H PHE A 22 1.603 9.073 0.490 1.00 0.00 H new ATOM 0 HA PHE A 22 4.513 9.127 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.462 6.930 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.044 6.545 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.221 7.659 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.965 6.606 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.186 7.497 5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.935 6.434 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.560 6.875 5.894 1.00 0.00 H new ATOM 329 N ARG A 23 5.007 8.378 -1.457 1.00 0.00 N ATOM 330 CA ARG A 23 5.328 8.265 -2.871 1.00 0.00 C ATOM 331 C ARG A 23 4.778 6.964 -3.395 1.00 0.00 C ATOM 332 O ARG A 23 4.674 6.756 -4.610 1.00 0.00 O ATOM 333 CB ARG A 23 6.840 8.338 -3.115 1.00 0.00 C ATOM 334 CG ARG A 23 7.487 9.675 -2.788 1.00 0.00 C ATOM 335 CD ARG A 23 6.988 10.784 -3.700 1.00 0.00 C ATOM 336 NE ARG A 23 7.300 10.529 -5.112 1.00 0.00 N ATOM 337 CZ ARG A 23 7.130 11.401 -6.110 1.00 0.00 C ATOM 338 NH1 ARG A 23 6.567 12.587 -5.884 1.00 0.00 N ATOM 339 NH2 ARG A 23 7.499 11.072 -7.333 1.00 0.00 N ATOM 0 H ARG A 23 5.804 8.232 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 23 4.874 9.103 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.325 7.563 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.034 8.105 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.277 9.936 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.569 9.587 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.910 10.890 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.436 11.730 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 23 7.677 9.612 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.262 12.836 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.441 13.246 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.911 10.156 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.372 11.733 -8.099 1.00 0.00 H new ATOM 353 N GLY A 24 4.404 6.094 -2.468 1.00 0.00 N ATOM 354 CA GLY A 24 3.792 4.882 -2.843 1.00 0.00 C ATOM 355 C GLY A 24 3.839 3.854 -1.761 1.00 0.00 C ATOM 356 O GLY A 24 4.704 3.890 -0.850 1.00 0.00 O ATOM 0 H GLY A 24 4.524 6.227 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.753 5.072 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.286 4.490 -3.732 1.00 0.00 H new ATOM 360 N GLY A 25 2.897 2.974 -1.825 1.00 0.00 N ATOM 361 CA GLY A 25 2.788 1.907 -0.906 1.00 0.00 C ATOM 362 C GLY A 25 2.602 0.654 -1.659 1.00 0.00 C ATOM 363 O GLY A 25 2.257 0.711 -2.842 1.00 0.00 O ATOM 0 H GLY A 25 2.167 2.983 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.684 1.847 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.947 2.072 -0.233 1.00 0.00 H new ATOM 367 N TRP A 26 2.832 -0.458 -1.040 1.00 0.00 N ATOM 368 CA TRP A 26 2.740 -1.704 -1.731 1.00 0.00 C ATOM 369 C TRP A 26 2.617 -2.847 -0.756 1.00 0.00 C ATOM 370 O TRP A 26 3.105 -2.772 0.386 1.00 0.00 O ATOM 371 CB TRP A 26 3.998 -1.924 -2.630 1.00 0.00 C ATOM 372 CG TRP A 26 5.286 -2.226 -1.879 1.00 0.00 C ATOM 373 CD1 TRP A 26 5.947 -3.413 -1.861 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.042 -1.344 -1.022 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.064 -3.317 -1.069 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.139 -2.073 -0.540 1.00 0.00 C ATOM 377 CE3 TRP A 26 5.899 -0.023 -0.623 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.081 -1.526 0.319 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.825 0.525 0.233 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.909 -0.230 0.698 1.00 0.00 C ATOM 0 H TRP A 26 3.086 -0.530 -0.055 1.00 0.00 H new ATOM 0 HA TRP A 26 1.849 -1.674 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.795 -2.746 -3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.151 -1.032 -3.238 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.639 -4.302 -2.392 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.735 -4.068 -0.904 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.069 0.569 -0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.920 -2.107 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.715 1.551 0.551 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.622 0.225 1.370 1.00 0.00 H new ATOM 391 N CYS A 27 1.933 -3.860 -1.182 1.00 0.00 N ATOM 392 CA CYS A 27 1.916 -5.101 -0.479 1.00 0.00 C ATOM 393 C CYS A 27 3.068 -5.887 -0.972 1.00 0.00 C ATOM 394 O CYS A 27 3.181 -6.103 -2.180 1.00 0.00 O ATOM 395 CB CYS A 27 0.658 -5.889 -0.771 1.00 0.00 C ATOM 396 SG CYS A 27 -0.843 -5.170 -0.119 1.00 0.00 S ATOM 0 H CYS A 27 1.368 -3.849 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 27 1.959 -4.909 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.555 -5.995 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.771 -6.893 -0.362 1.00 0.00 H new ATOM 401 N ASP A 28 3.939 -6.272 -0.100 1.00 0.00 N ATOM 402 CA ASP A 28 5.060 -7.074 -0.519 1.00 0.00 C ATOM 403 C ASP A 28 4.652 -8.547 -0.484 1.00 0.00 C ATOM 404 O ASP A 28 3.497 -8.865 -0.148 1.00 0.00 O ATOM 405 CB ASP A 28 6.316 -6.810 0.335 1.00 0.00 C ATOM 406 CG ASP A 28 6.254 -7.388 1.717 1.00 0.00 C ATOM 407 OD1 ASP A 28 6.639 -8.554 1.887 1.00 0.00 O ATOM 408 OD2 ASP A 28 5.873 -6.689 2.656 1.00 0.00 O ATOM 0 H ASP A 28 3.906 -6.053 0.896 1.00 0.00 H new ATOM 0 HA ASP A 28 5.330 -6.797 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.184 -7.221 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.470 -5.734 0.410 1.00 0.00 H new ATOM 413 N SER A 29 5.574 -9.432 -0.812 1.00 0.00 N ATOM 414 CA SER A 29 5.313 -10.868 -0.891 1.00 0.00 C ATOM 415 C SER A 29 4.791 -11.459 0.457 1.00 0.00 C ATOM 416 O SER A 29 4.064 -12.455 0.468 1.00 0.00 O ATOM 417 CB SER A 29 6.583 -11.593 -1.383 1.00 0.00 C ATOM 418 OG SER A 29 6.351 -12.967 -1.671 1.00 0.00 O ATOM 0 H SER A 29 6.537 -9.178 -1.034 1.00 0.00 H new ATOM 0 HA SER A 29 4.510 -11.029 -1.611 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.957 -11.096 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.361 -11.511 -0.624 1.00 0.00 H new ATOM 0 HG SER A 29 7.184 -13.382 -1.980 1.00 0.00 H new ATOM 424 N ARG A 30 5.104 -10.805 1.571 1.00 0.00 N ATOM 425 CA ARG A 30 4.667 -11.263 2.898 1.00 0.00 C ATOM 426 C ARG A 30 3.234 -10.802 3.198 1.00 0.00 C ATOM 427 O ARG A 30 2.727 -11.026 4.305 1.00 0.00 O ATOM 428 CB ARG A 30 5.585 -10.702 3.968 1.00 0.00 C ATOM 429 CG ARG A 30 7.043 -11.080 3.833 1.00 0.00 C ATOM 430 CD ARG A 30 7.883 -10.186 4.716 1.00 0.00 C ATOM 431 NE ARG A 30 7.663 -8.777 4.357 1.00 0.00 N ATOM 432 CZ ARG A 30 8.156 -7.714 4.982 1.00 0.00 C ATOM 433 NH1 ARG A 30 9.011 -7.857 5.983 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.774 -6.502 4.593 1.00 0.00 N ATOM 0 H ARG A 30 5.661 -9.951 1.587 1.00 0.00 H new ATOM 0 HA ARG A 30 4.702 -12.352 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.506 -9.615 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.228 -11.038 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.186 -12.123 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.359 -10.983 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.625 -10.348 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.938 -10.438 4.605 1.00 0.00 H new ATOM 0 HE ARG A 30 7.072 -8.598 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.297 -8.790 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.384 -7.034 6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.111 -6.398 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.144 -5.676 5.063 1.00 0.00 H new ATOM 448 N LYS A 31 2.603 -10.130 2.211 1.00 0.00 N ATOM 449 CA LYS A 31 1.213 -9.613 2.296 1.00 0.00 C ATOM 450 C LYS A 31 1.135 -8.430 3.274 1.00 0.00 C ATOM 451 O LYS A 31 0.067 -8.104 3.826 1.00 0.00 O ATOM 452 CB LYS A 31 0.218 -10.725 2.706 1.00 0.00 C ATOM 453 CG LYS A 31 0.181 -11.956 1.790 1.00 0.00 C ATOM 454 CD LYS A 31 -0.412 -11.676 0.407 1.00 0.00 C ATOM 455 CE LYS A 31 -0.443 -12.965 -0.412 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.158 -12.833 -1.703 1.00 0.00 N ATOM 0 H LYS A 31 3.049 -9.926 1.317 1.00 0.00 H new ATOM 0 HA LYS A 31 0.928 -9.264 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.465 -11.054 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.783 -10.295 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.194 -12.339 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.402 -12.740 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.420 -11.274 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.182 -10.921 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.580 -13.287 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.918 -13.749 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.140 -13.744 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.144 -12.555 -1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.692 -12.108 -2.285 1.00 0.00 H new ATOM 470 N VAL A 32 2.255 -7.774 3.456 1.00 0.00 N ATOM 471 CA VAL A 32 2.347 -6.633 4.340 1.00 0.00 C ATOM 472 C VAL A 32 2.231 -5.365 3.535 1.00 0.00 C ATOM 473 O VAL A 32 2.789 -5.263 2.434 1.00 0.00 O ATOM 474 CB VAL A 32 3.688 -6.627 5.138 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.773 -5.443 6.099 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.864 -7.921 5.897 1.00 0.00 C ATOM 0 H VAL A 32 3.132 -8.015 2.995 1.00 0.00 H new ATOM 0 HA VAL A 32 1.531 -6.697 5.060 1.00 0.00 H new ATOM 0 HB VAL A 32 4.494 -6.527 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.722 -5.476 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.707 -4.512 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.951 -5.494 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.805 -7.896 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.038 -8.047 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.876 -8.755 5.196 1.00 0.00 H new ATOM 486 N CYS A 33 1.465 -4.442 4.057 1.00 0.00 N ATOM 487 CA CYS A 33 1.321 -3.143 3.482 1.00 0.00 C ATOM 488 C CYS A 33 2.396 -2.218 3.982 1.00 0.00 C ATOM 489 O CYS A 33 2.444 -1.870 5.176 1.00 0.00 O ATOM 490 CB CYS A 33 -0.056 -2.569 3.756 1.00 0.00 C ATOM 491 SG CYS A 33 -1.317 -3.186 2.648 1.00 0.00 S ATOM 0 H CYS A 33 0.918 -4.581 4.907 1.00 0.00 H new ATOM 0 HA CYS A 33 1.430 -3.242 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.340 -2.800 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.011 -1.483 3.675 1.00 0.00 H new ATOM 496 N ASN A 34 3.264 -1.846 3.096 1.00 0.00 N ATOM 497 CA ASN A 34 4.371 -0.990 3.424 1.00 0.00 C ATOM 498 C ASN A 34 4.189 0.304 2.663 1.00 0.00 C ATOM 499 O ASN A 34 3.752 0.277 1.517 1.00 0.00 O ATOM 500 CB ASN A 34 5.701 -1.625 2.962 1.00 0.00 C ATOM 501 CG ASN A 34 5.902 -3.083 3.356 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.442 -3.395 4.417 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.508 -3.981 2.483 1.00 0.00 N ATOM 0 H ASN A 34 3.229 -2.127 2.116 1.00 0.00 H new ATOM 0 HA ASN A 34 4.402 -0.832 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.763 -1.548 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.525 -1.039 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.646 -4.973 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.064 -3.686 1.613 1.00 0.00 H new ATOM 510 N CYS A 35 4.445 1.416 3.287 1.00 0.00 N ATOM 511 CA CYS A 35 4.424 2.696 2.597 1.00 0.00 C ATOM 512 C CYS A 35 5.827 3.260 2.632 1.00 0.00 C ATOM 513 O CYS A 35 6.333 3.512 3.729 1.00 0.00 O ATOM 514 CB CYS A 35 3.461 3.682 3.272 1.00 0.00 C ATOM 515 SG CYS A 35 1.753 3.065 3.518 1.00 0.00 S ATOM 0 H CYS A 35 4.674 1.474 4.279 1.00 0.00 H new ATOM 0 HA CYS A 35 4.080 2.548 1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.873 3.960 4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.418 4.591 2.672 1.00 0.00 H new ATOM 520 N ARG A 36 6.461 3.467 1.449 1.00 0.00 N ATOM 521 CA ARG A 36 7.856 3.946 1.395 1.00 0.00 C ATOM 522 C ARG A 36 8.406 3.963 -0.044 1.00 0.00 C ATOM 523 O ARG A 36 9.460 4.532 -0.287 1.00 0.00 O ATOM 524 CB ARG A 36 8.760 3.046 2.246 1.00 0.00 C ATOM 525 CG ARG A 36 10.126 3.610 2.557 1.00 0.00 C ATOM 526 CD ARG A 36 10.889 2.662 3.454 1.00 0.00 C ATOM 527 NE ARG A 36 10.139 2.366 4.687 1.00 0.00 N ATOM 528 CZ ARG A 36 9.838 1.135 5.130 1.00 0.00 C ATOM 529 NH1 ARG A 36 10.253 0.064 4.460 1.00 0.00 N ATOM 530 NH2 ARG A 36 9.115 0.985 6.237 1.00 0.00 N ATOM 0 H ARG A 36 6.032 3.311 0.537 1.00 0.00 H new ATOM 0 HA ARG A 36 7.854 4.965 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.251 2.833 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.887 2.095 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.680 3.773 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.025 4.580 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.091 1.735 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.854 3.099 3.710 1.00 0.00 H new ATOM 0 HE ARG A 36 9.824 3.158 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.801 0.177 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.023 -0.870 4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.790 1.805 6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.886 0.050 6.574 1.00 0.00 H new ATOM 544 N ARG A 37 7.720 3.334 -0.989 1.00 0.00 N ATOM 545 CA ARG A 37 8.227 3.292 -2.353 1.00 0.00 C ATOM 546 C ARG A 37 7.567 4.336 -3.205 1.00 0.00 C ATOM 547 O ARG A 37 6.587 4.027 -3.902 1.00 0.00 O ATOM 548 CB ARG A 37 8.115 1.893 -2.997 1.00 0.00 C ATOM 549 CG ARG A 37 9.029 0.839 -2.395 1.00 0.00 C ATOM 550 CD ARG A 37 10.484 1.282 -2.376 1.00 0.00 C ATOM 551 NE ARG A 37 10.968 1.691 -3.701 1.00 0.00 N ATOM 552 CZ ARG A 37 12.123 2.323 -3.932 1.00 0.00 C ATOM 553 NH1 ARG A 37 12.964 2.575 -2.927 1.00 0.00 N ATOM 554 NH2 ARG A 37 12.435 2.686 -5.171 1.00 0.00 N ATOM 555 OXT ARG A 37 8.021 5.484 -3.168 1.00 0.00 O ATOM 0 H ARG A 37 6.831 2.856 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 37 9.292 3.516 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.084 1.551 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.335 1.980 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.705 0.618 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.940 -0.085 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.598 2.113 -1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.103 0.466 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 37 10.379 1.477 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.726 2.285 -1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.844 3.057 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.795 2.482 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.315 3.169 -5.355 1.00 0.00 H new