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 Set 1.1: A 16 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-3.2!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 142:sc= 0.0629 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0157) USER MOD Single : A 34 ASN : amide:sc= 1.14 K(o=1.1,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.007 -1.893 5.182 1.00 0.00 N ATOM 11 CA ILE A 2 -4.993 -2.372 4.306 1.00 0.00 C ATOM 12 C ILE A 2 -4.955 -3.885 4.327 1.00 0.00 C ATOM 13 O ILE A 2 -4.745 -4.516 5.361 1.00 0.00 O ATOM 14 CB ILE A 2 -3.615 -1.739 4.601 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.279 -1.784 6.105 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.579 -0.319 4.071 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.970 -1.117 6.472 1.00 0.00 C ATOM 0 HA ILE A 2 -5.246 -2.059 3.293 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.851 -2.324 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.085 -1.305 6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.246 -2.825 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.605 0.123 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.748 -0.328 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.357 0.270 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.811 -1.194 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.151 -1.610 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.004 -0.066 6.185 1.00 0.00 H new ATOM 29 N THR A 3 -5.218 -4.447 3.206 1.00 0.00 N ATOM 30 CA THR A 3 -5.294 -5.867 3.032 1.00 0.00 C ATOM 31 C THR A 3 -4.579 -6.179 1.726 1.00 0.00 C ATOM 32 O THR A 3 -4.529 -5.318 0.849 1.00 0.00 O ATOM 33 CB THR A 3 -6.789 -6.288 2.935 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.523 -5.685 4.023 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.945 -7.803 3.018 1.00 0.00 C ATOM 0 H THR A 3 -5.394 -3.922 2.349 1.00 0.00 H new ATOM 0 HA THR A 3 -4.838 -6.404 3.864 1.00 0.00 H new ATOM 0 HB THR A 3 -7.176 -5.951 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.466 -5.946 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.001 -8.064 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.400 -8.270 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.546 -8.158 3.968 1.00 0.00 H new ATOM 43 N CYS A 4 -4.022 -7.346 1.593 1.00 0.00 N ATOM 44 CA CYS A 4 -3.300 -7.676 0.399 1.00 0.00 C ATOM 45 C CYS A 4 -3.864 -8.888 -0.287 1.00 0.00 C ATOM 46 O CYS A 4 -3.698 -10.024 0.181 1.00 0.00 O ATOM 47 CB CYS A 4 -1.827 -7.871 0.704 1.00 0.00 C ATOM 48 SG CYS A 4 -1.042 -6.385 1.388 1.00 0.00 S ATOM 0 H CYS A 4 -4.053 -8.085 2.295 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.410 -6.837 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.714 -8.693 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.308 -8.162 -0.209 1.00 0.00 H new ATOM 53 N ASP A 5 -4.563 -8.657 -1.362 1.00 0.00 N ATOM 54 CA ASP A 5 -5.062 -9.728 -2.180 1.00 0.00 C ATOM 55 C ASP A 5 -4.108 -9.900 -3.334 1.00 0.00 C ATOM 56 O ASP A 5 -3.847 -11.012 -3.786 1.00 0.00 O ATOM 57 CB ASP A 5 -6.481 -9.455 -2.672 1.00 0.00 C ATOM 58 CG ASP A 5 -7.026 -10.573 -3.542 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.588 -10.283 -4.618 1.00 0.00 O ATOM 60 OD2 ASP A 5 -6.901 -11.757 -3.171 1.00 0.00 O ATOM 0 H ASP A 5 -4.803 -7.724 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.119 -10.645 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.138 -9.315 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.492 -8.523 -3.237 1.00 0.00 H new ATOM 65 N LEU A 6 -3.550 -8.794 -3.780 1.00 0.00 N ATOM 66 CA LEU A 6 -2.535 -8.803 -4.777 1.00 0.00 C ATOM 67 C LEU A 6 -1.283 -8.167 -4.222 1.00 0.00 C ATOM 68 O LEU A 6 -1.319 -7.416 -3.254 1.00 0.00 O ATOM 69 CB LEU A 6 -2.980 -8.072 -6.046 1.00 0.00 C ATOM 70 CG LEU A 6 -4.123 -8.712 -6.835 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.462 -7.866 -8.046 1.00 0.00 C ATOM 72 CD2 LEU A 6 -3.756 -10.127 -7.265 1.00 0.00 C ATOM 0 H LEU A 6 -3.800 -7.862 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.335 -9.839 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.280 -7.061 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.118 -7.980 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.998 -8.767 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.277 -8.333 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.767 -6.871 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.586 -7.785 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.583 -10.563 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.867 -10.097 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.554 -10.735 -6.383 1.00 0.00 H new ATOM 84 N ILE A 7 -0.202 -8.487 -4.811 1.00 0.00 N ATOM 85 CA ILE A 7 1.072 -7.958 -4.454 1.00 0.00 C ATOM 86 C ILE A 7 1.378 -6.793 -5.351 1.00 0.00 C ATOM 87 O ILE A 7 1.293 -6.903 -6.583 1.00 0.00 O ATOM 88 CB ILE A 7 2.183 -9.019 -4.599 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.906 -10.218 -3.704 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.562 -8.441 -4.310 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.807 -9.908 -2.219 1.00 0.00 C ATOM 0 H ILE A 7 -0.166 -9.149 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 7 1.039 -7.644 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 7 2.179 -9.351 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.974 -10.683 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.697 -10.953 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.315 -9.221 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.771 -7.631 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.589 -8.056 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.608 -10.827 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.746 -9.474 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.996 -9.200 -2.048 1.00 0.00 H new ATOM 103 N GLY A 8 1.668 -5.681 -4.737 1.00 0.00 N ATOM 104 CA GLY A 8 2.031 -4.451 -5.451 1.00 0.00 C ATOM 105 C GLY A 8 0.859 -3.741 -6.142 1.00 0.00 C ATOM 106 O GLY A 8 0.714 -2.529 -6.035 1.00 0.00 O ATOM 0 H GLY A 8 1.664 -5.583 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.492 -3.760 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.785 -4.691 -6.200 1.00 0.00 H new ATOM 110 N ASN A 9 -0.011 -4.509 -6.766 1.00 0.00 N ATOM 111 CA ASN A 9 -1.134 -3.994 -7.576 1.00 0.00 C ATOM 112 C ASN A 9 -2.336 -3.797 -6.724 1.00 0.00 C ATOM 113 O ASN A 9 -3.428 -3.487 -7.195 1.00 0.00 O ATOM 114 CB ASN A 9 -1.478 -4.964 -8.706 1.00 0.00 C ATOM 115 CG ASN A 9 -0.468 -4.961 -9.837 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.603 -4.197 -10.801 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.536 -5.799 -9.747 1.00 0.00 N ATOM 0 H ASN A 9 0.029 -5.528 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.827 -3.040 -8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.551 -5.972 -8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.460 -4.710 -9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.238 -5.836 -10.486 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.616 -6.414 -8.937 1.00 0.00 H new ATOM 124 N GLU A 10 -2.122 -3.939 -5.473 1.00 0.00 N ATOM 125 CA GLU A 10 -3.122 -3.836 -4.504 1.00 0.00 C ATOM 126 C GLU A 10 -3.352 -2.364 -4.177 1.00 0.00 C ATOM 127 O GLU A 10 -2.830 -1.808 -3.208 1.00 0.00 O ATOM 128 CB GLU A 10 -2.714 -4.667 -3.312 1.00 0.00 C ATOM 129 CG GLU A 10 -3.690 -4.677 -2.204 1.00 0.00 C ATOM 130 CD GLU A 10 -4.995 -5.283 -2.622 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.029 -6.482 -2.908 1.00 0.00 O ATOM 132 OE2 GLU A 10 -6.010 -4.567 -2.695 1.00 0.00 O ATOM 0 H GLU A 10 -1.200 -4.139 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.077 -4.225 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.548 -5.693 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.761 -4.295 -2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.281 -5.238 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.857 -3.657 -1.856 1.00 0.00 H new ATOM 139 N ARG A 11 -4.064 -1.750 -5.067 1.00 0.00 N ATOM 140 CA ARG A 11 -4.379 -0.324 -5.056 1.00 0.00 C ATOM 141 C ARG A 11 -5.076 0.119 -3.776 1.00 0.00 C ATOM 142 O ARG A 11 -4.833 1.222 -3.293 1.00 0.00 O ATOM 143 CB ARG A 11 -5.216 0.033 -6.274 1.00 0.00 C ATOM 144 CG ARG A 11 -4.563 -0.350 -7.599 1.00 0.00 C ATOM 145 CD ARG A 11 -3.230 0.361 -7.807 1.00 0.00 C ATOM 146 NE ARG A 11 -3.393 1.813 -7.902 1.00 0.00 N ATOM 147 CZ ARG A 11 -2.386 2.699 -7.936 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.113 2.289 -7.859 1.00 0.00 N ATOM 149 NH2 ARG A 11 -2.654 3.992 -8.053 1.00 0.00 N ATOM 0 H ARG A 11 -4.469 -2.236 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.432 0.215 -5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.183 -0.464 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.408 1.106 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.407 -1.428 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.237 -0.104 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.560 0.125 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.758 -0.011 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.344 2.179 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.902 1.295 -7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.355 2.971 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.622 4.309 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.893 4.670 -8.079 1.00 0.00 H new ATOM 163 N LEU A 12 -5.894 -0.751 -3.212 1.00 0.00 N ATOM 164 CA LEU A 12 -6.591 -0.462 -1.963 1.00 0.00 C ATOM 165 C LEU A 12 -5.604 -0.362 -0.802 1.00 0.00 C ATOM 166 O LEU A 12 -5.897 0.222 0.237 1.00 0.00 O ATOM 167 CB LEU A 12 -7.675 -1.504 -1.683 1.00 0.00 C ATOM 168 CG LEU A 12 -8.858 -1.537 -2.663 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.813 -2.657 -2.301 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.596 -0.201 -2.674 1.00 0.00 C ATOM 0 H LEU A 12 -6.096 -1.672 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.084 0.505 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.209 -2.489 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.066 -1.330 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.463 -1.718 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.645 -2.667 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.288 -3.611 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.193 -2.499 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.429 -0.251 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.976 0.013 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.911 0.590 -2.979 1.00 0.00 H new ATOM 182 N CYS A 13 -4.439 -0.915 -0.990 1.00 0.00 N ATOM 183 CA CYS A 13 -3.388 -0.793 -0.028 1.00 0.00 C ATOM 184 C CYS A 13 -2.613 0.496 -0.321 1.00 0.00 C ATOM 185 O CYS A 13 -2.441 1.352 0.549 1.00 0.00 O ATOM 186 CB CYS A 13 -2.484 -2.027 -0.094 1.00 0.00 C ATOM 187 SG CYS A 13 -1.006 -1.954 0.934 1.00 0.00 S ATOM 0 H CYS A 13 -4.194 -1.462 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.791 -0.737 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.067 -2.900 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.179 -2.179 -1.129 1.00 0.00 H new ATOM 192 N VAL A 14 -2.254 0.669 -1.593 1.00 0.00 N ATOM 193 CA VAL A 14 -1.467 1.817 -2.073 1.00 0.00 C ATOM 194 C VAL A 14 -2.147 3.157 -1.727 1.00 0.00 C ATOM 195 O VAL A 14 -1.473 4.132 -1.365 1.00 0.00 O ATOM 196 CB VAL A 14 -1.267 1.742 -3.610 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.337 2.843 -4.115 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.758 0.376 -4.033 1.00 0.00 C ATOM 0 H VAL A 14 -2.502 0.011 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.501 1.770 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.244 1.899 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.223 2.756 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.761 3.817 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.638 2.743 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.628 0.355 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.198 0.178 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.478 -0.388 -3.739 1.00 0.00 H new ATOM 208 N VAL A 15 -3.476 3.187 -1.809 1.00 0.00 N ATOM 209 CA VAL A 15 -4.255 4.396 -1.538 1.00 0.00 C ATOM 210 C VAL A 15 -4.061 4.887 -0.089 1.00 0.00 C ATOM 211 O VAL A 15 -4.145 6.076 0.188 1.00 0.00 O ATOM 212 CB VAL A 15 -5.768 4.200 -1.862 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.429 3.200 -0.935 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.515 5.523 -1.865 1.00 0.00 C ATOM 0 H VAL A 15 -4.042 2.378 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.874 5.169 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.820 3.786 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.481 3.098 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.935 2.233 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.347 3.549 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.566 5.347 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.431 5.990 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.085 6.182 -2.619 1.00 0.00 H new ATOM 224 N HIS A 16 -3.734 3.971 0.808 1.00 0.00 N ATOM 225 CA HIS A 16 -3.494 4.313 2.208 1.00 0.00 C ATOM 226 C HIS A 16 -2.226 5.151 2.302 1.00 0.00 C ATOM 227 O HIS A 16 -2.169 6.185 2.988 1.00 0.00 O ATOM 228 CB HIS A 16 -3.361 3.022 3.031 1.00 0.00 C ATOM 229 CG HIS A 16 -2.985 3.203 4.476 1.00 0.00 C ATOM 230 ND1 HIS A 16 -3.880 3.502 5.471 1.00 0.00 N ATOM 231 CD2 HIS A 16 -1.774 3.102 5.077 1.00 0.00 C ATOM 232 CE1 HIS A 16 -3.212 3.580 6.619 1.00 0.00 C ATOM 233 NE2 HIS A 16 -1.919 3.341 6.435 1.00 0.00 N ATOM 0 H HIS A 16 -3.627 2.979 0.594 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.328 4.891 2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.309 2.486 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -2.613 2.387 2.557 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -4.883 3.641 5.352 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.844 2.872 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.662 3.808 7.574 1.00 0.00 H new ATOM 241 N CYS A 17 -1.247 4.727 1.563 1.00 0.00 N ATOM 242 CA CYS A 17 0.027 5.376 1.507 1.00 0.00 C ATOM 243 C CYS A 17 -0.120 6.729 0.824 1.00 0.00 C ATOM 244 O CYS A 17 0.448 7.733 1.269 1.00 0.00 O ATOM 245 CB CYS A 17 0.972 4.479 0.741 1.00 0.00 C ATOM 246 SG CYS A 17 0.942 2.750 1.329 1.00 0.00 S ATOM 0 H CYS A 17 -1.313 3.901 0.968 1.00 0.00 H new ATOM 0 HA CYS A 17 0.422 5.549 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.710 4.503 -0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.986 4.869 0.827 1.00 0.00 H new ATOM 251 N LEU A 18 -0.934 6.772 -0.218 1.00 0.00 N ATOM 252 CA LEU A 18 -1.159 8.004 -0.956 1.00 0.00 C ATOM 253 C LEU A 18 -1.926 9.010 -0.099 1.00 0.00 C ATOM 254 O LEU A 18 -1.689 10.221 -0.194 1.00 0.00 O ATOM 255 CB LEU A 18 -1.927 7.722 -2.253 1.00 0.00 C ATOM 256 CG LEU A 18 -1.288 6.711 -3.215 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.148 6.533 -4.455 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.124 7.132 -3.595 1.00 0.00 C ATOM 0 H LEU A 18 -1.451 5.967 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.189 8.431 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.922 7.363 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.058 8.664 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.224 5.752 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.677 5.812 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.134 6.169 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.251 7.490 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.552 6.397 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.094 8.106 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.739 7.195 -2.697 1.00 0.00 H new ATOM 270 N ALA A 19 -2.792 8.497 0.771 1.00 0.00 N ATOM 271 CA ALA A 19 -3.577 9.323 1.676 1.00 0.00 C ATOM 272 C ALA A 19 -2.703 9.921 2.771 1.00 0.00 C ATOM 273 O ALA A 19 -2.822 11.101 3.086 1.00 0.00 O ATOM 274 CB ALA A 19 -4.723 8.523 2.283 1.00 0.00 C ATOM 0 H ALA A 19 -2.967 7.497 0.866 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.000 10.143 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.296 9.161 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.373 8.158 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.321 7.677 2.840 1.00 0.00 H new ATOM 280 N LYS A 20 -1.819 9.108 3.345 1.00 0.00 N ATOM 281 CA LYS A 20 -0.905 9.596 4.382 1.00 0.00 C ATOM 282 C LYS A 20 0.103 10.586 3.823 1.00 0.00 C ATOM 283 O LYS A 20 0.478 11.560 4.489 1.00 0.00 O ATOM 284 CB LYS A 20 -0.168 8.459 5.084 1.00 0.00 C ATOM 285 CG LYS A 20 -1.006 7.648 6.053 1.00 0.00 C ATOM 286 CD LYS A 20 -0.135 6.633 6.756 1.00 0.00 C ATOM 287 CE LYS A 20 -0.880 5.942 7.870 1.00 0.00 C ATOM 288 NZ LYS A 20 -0.060 4.899 8.517 1.00 0.00 N ATOM 0 H LYS A 20 -1.714 8.120 3.115 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.529 10.105 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.236 7.787 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.681 8.877 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.474 8.308 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.810 7.143 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.215 5.892 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.748 7.128 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.184 6.678 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.791 5.494 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.242 4.900 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.306 3.969 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.947 5.093 8.345 1.00 0.00 H new ATOM 302 N GLY A 21 0.545 10.340 2.620 1.00 0.00 N ATOM 303 CA GLY A 21 1.484 11.233 2.004 1.00 0.00 C ATOM 304 C GLY A 21 2.764 10.541 1.661 1.00 0.00 C ATOM 305 O GLY A 21 3.851 11.010 1.988 1.00 0.00 O ATOM 0 H GLY A 21 0.273 9.537 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.045 11.655 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.690 12.065 2.677 1.00 0.00 H new ATOM 309 N PHE A 22 2.640 9.427 1.027 1.00 0.00 N ATOM 310 CA PHE A 22 3.765 8.643 0.613 1.00 0.00 C ATOM 311 C PHE A 22 3.945 8.707 -0.860 1.00 0.00 C ATOM 312 O PHE A 22 3.044 9.132 -1.590 1.00 0.00 O ATOM 313 CB PHE A 22 3.589 7.182 1.046 1.00 0.00 C ATOM 314 CG PHE A 22 3.982 6.936 2.430 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.262 6.576 2.687 1.00 0.00 C ATOM 316 CD2 PHE A 22 3.090 7.049 3.472 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.683 6.324 3.937 1.00 0.00 C ATOM 318 CE2 PHE A 22 3.498 6.798 4.758 1.00 0.00 C ATOM 319 CZ PHE A 22 4.808 6.432 4.996 1.00 0.00 C ATOM 0 H PHE A 22 1.739 9.022 0.774 1.00 0.00 H new ATOM 0 HA PHE A 22 4.653 9.056 1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.545 6.896 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.179 6.543 0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.960 6.490 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.067 7.336 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.709 6.036 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.800 6.886 5.577 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.144 6.232 6.003 1.00 0.00 H new ATOM 329 N ARG A 23 5.110 8.283 -1.296 1.00 0.00 N ATOM 330 CA ARG A 23 5.412 8.123 -2.699 1.00 0.00 C ATOM 331 C ARG A 23 4.518 7.017 -3.240 1.00 0.00 C ATOM 332 O ARG A 23 4.093 7.035 -4.403 1.00 0.00 O ATOM 333 CB ARG A 23 6.895 7.762 -2.870 1.00 0.00 C ATOM 334 CG ARG A 23 7.347 7.534 -4.305 1.00 0.00 C ATOM 335 CD ARG A 23 8.827 7.179 -4.363 1.00 0.00 C ATOM 336 NE ARG A 23 9.678 8.265 -3.843 1.00 0.00 N ATOM 337 CZ ARG A 23 10.998 8.187 -3.607 1.00 0.00 C ATOM 338 NH1 ARG A 23 11.662 7.051 -3.816 1.00 0.00 N ATOM 339 NH2 ARG A 23 11.644 9.254 -3.164 1.00 0.00 N ATOM 0 H ARG A 23 5.883 8.037 -0.678 1.00 0.00 H new ATOM 0 HA ARG A 23 5.229 9.047 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.499 8.561 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.101 6.860 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.760 6.732 -4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.162 8.432 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.005 6.272 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.107 6.961 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 23 9.223 9.156 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.168 6.227 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.664 7.005 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.139 10.126 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.646 9.204 -2.982 1.00 0.00 H new ATOM 353 N GLY A 24 4.163 6.103 -2.357 1.00 0.00 N ATOM 354 CA GLY A 24 3.304 5.036 -2.719 1.00 0.00 C ATOM 355 C GLY A 24 3.404 3.924 -1.738 1.00 0.00 C ATOM 356 O GLY A 24 4.018 4.092 -0.665 1.00 0.00 O ATOM 0 H GLY A 24 4.468 6.095 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.275 5.392 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.565 4.674 -3.714 1.00 0.00 H new ATOM 360 N GLY A 25 2.826 2.817 -2.068 1.00 0.00 N ATOM 361 CA GLY A 25 2.803 1.706 -1.186 1.00 0.00 C ATOM 362 C GLY A 25 2.717 0.433 -1.946 1.00 0.00 C ATOM 363 O GLY A 25 2.412 0.444 -3.146 1.00 0.00 O ATOM 0 H GLY A 25 2.356 2.660 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.702 1.707 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.952 1.790 -0.510 1.00 0.00 H new ATOM 367 N TRP A 26 2.976 -0.657 -1.285 1.00 0.00 N ATOM 368 CA TRP A 26 2.971 -1.936 -1.920 1.00 0.00 C ATOM 369 C TRP A 26 2.813 -3.021 -0.886 1.00 0.00 C ATOM 370 O TRP A 26 3.206 -2.859 0.278 1.00 0.00 O ATOM 371 CB TRP A 26 4.299 -2.171 -2.698 1.00 0.00 C ATOM 372 CG TRP A 26 5.527 -2.414 -1.826 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.182 -3.598 -1.664 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.211 -1.471 -0.979 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.242 -3.443 -0.804 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.275 -2.155 -0.365 1.00 0.00 C ATOM 377 CE3 TRP A 26 6.034 -0.124 -0.691 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.147 -1.538 0.516 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.891 0.488 0.190 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.940 -0.220 0.785 1.00 0.00 C ATOM 0 H TRP A 26 3.197 -0.681 -0.289 1.00 0.00 H new ATOM 0 HA TRP A 26 2.136 -1.964 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.167 -3.027 -3.360 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.489 -1.305 -3.332 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.907 -4.526 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.899 -4.176 -0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.233 0.434 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.961 -2.082 0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.753 1.533 0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.599 0.290 1.472 1.00 0.00 H new ATOM 391 N CYS A 27 2.220 -4.086 -1.291 1.00 0.00 N ATOM 392 CA CYS A 27 2.194 -5.265 -0.489 1.00 0.00 C ATOM 393 C CYS A 27 3.417 -6.056 -0.825 1.00 0.00 C ATOM 394 O CYS A 27 3.701 -6.276 -2.012 1.00 0.00 O ATOM 395 CB CYS A 27 0.955 -6.091 -0.776 1.00 0.00 C ATOM 396 SG CYS A 27 -0.579 -5.313 -0.258 1.00 0.00 S ATOM 0 H CYS A 27 1.738 -4.169 -2.186 1.00 0.00 H new ATOM 0 HA CYS A 27 2.173 -4.998 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.905 -6.292 -1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.049 -7.054 -0.275 1.00 0.00 H new ATOM 401 N ASP A 28 4.176 -6.429 0.168 1.00 0.00 N ATOM 402 CA ASP A 28 5.370 -7.213 -0.089 1.00 0.00 C ATOM 403 C ASP A 28 5.017 -8.689 -0.012 1.00 0.00 C ATOM 404 O ASP A 28 3.850 -9.036 0.232 1.00 0.00 O ATOM 405 CB ASP A 28 6.526 -6.866 0.867 1.00 0.00 C ATOM 406 CG ASP A 28 6.353 -7.401 2.262 1.00 0.00 C ATOM 407 OD1 ASP A 28 6.811 -8.526 2.530 1.00 0.00 O ATOM 408 OD2 ASP A 28 5.788 -6.703 3.112 1.00 0.00 O ATOM 0 H ASP A 28 4.001 -6.212 1.149 1.00 0.00 H new ATOM 0 HA ASP A 28 5.729 -6.970 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.455 -7.257 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.630 -5.782 0.916 1.00 0.00 H new ATOM 413 N SER A 29 6.003 -9.551 -0.183 1.00 0.00 N ATOM 414 CA SER A 29 5.789 -10.986 -0.228 1.00 0.00 C ATOM 415 C SER A 29 5.178 -11.537 1.083 1.00 0.00 C ATOM 416 O SER A 29 4.515 -12.567 1.068 1.00 0.00 O ATOM 417 CB SER A 29 7.105 -11.702 -0.575 1.00 0.00 C ATOM 418 OG SER A 29 6.904 -13.096 -0.815 1.00 0.00 O ATOM 0 H SER A 29 6.978 -9.274 -0.295 1.00 0.00 H new ATOM 0 HA SER A 29 5.058 -11.187 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.547 -11.241 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.815 -11.573 0.242 1.00 0.00 H new ATOM 0 HG SER A 29 7.761 -13.517 -1.034 1.00 0.00 H new ATOM 424 N ARG A 30 5.355 -10.826 2.194 1.00 0.00 N ATOM 425 CA ARG A 30 4.819 -11.264 3.493 1.00 0.00 C ATOM 426 C ARG A 30 3.331 -10.926 3.617 1.00 0.00 C ATOM 427 O ARG A 30 2.720 -11.230 4.635 1.00 0.00 O ATOM 428 CB ARG A 30 5.550 -10.576 4.638 1.00 0.00 C ATOM 429 CG ARG A 30 7.043 -10.825 4.718 1.00 0.00 C ATOM 430 CD ARG A 30 7.671 -9.818 5.669 1.00 0.00 C ATOM 431 NE ARG A 30 7.348 -8.446 5.235 1.00 0.00 N ATOM 432 CZ ARG A 30 7.427 -7.336 5.976 1.00 0.00 C ATOM 433 NH1 ARG A 30 7.959 -7.363 7.188 1.00 0.00 N ATOM 434 NH2 ARG A 30 6.973 -6.196 5.479 1.00 0.00 N ATOM 0 H ARG A 30 5.865 -9.943 2.227 1.00 0.00 H new ATOM 0 HA ARG A 30 4.961 -12.343 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.385 -9.502 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.097 -10.896 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.236 -11.840 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.491 -10.737 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.304 -9.984 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.752 -9.955 5.695 1.00 0.00 H new ATOM 0 HE ARG A 30 7.032 -8.332 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.316 -8.239 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.012 -6.507 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.570 -6.173 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.027 -5.341 6.033 1.00 0.00 H new ATOM 448 N LYS A 31 2.768 -10.275 2.571 1.00 0.00 N ATOM 449 CA LYS A 31 1.346 -9.830 2.514 1.00 0.00 C ATOM 450 C LYS A 31 1.137 -8.603 3.404 1.00 0.00 C ATOM 451 O LYS A 31 0.010 -8.282 3.809 1.00 0.00 O ATOM 452 CB LYS A 31 0.353 -10.955 2.916 1.00 0.00 C ATOM 453 CG LYS A 31 0.484 -12.256 2.133 1.00 0.00 C ATOM 454 CD LYS A 31 0.190 -12.087 0.658 1.00 0.00 C ATOM 455 CE LYS A 31 0.297 -13.425 -0.055 1.00 0.00 C ATOM 456 NZ LYS A 31 -0.067 -13.331 -1.477 1.00 0.00 N ATOM 0 H LYS A 31 3.293 -10.039 1.729 1.00 0.00 H new ATOM 0 HA LYS A 31 1.136 -9.569 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.488 -11.174 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.663 -10.579 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.494 -12.647 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.197 -12.997 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.810 -11.674 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.890 -11.376 0.219 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.317 -13.800 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.352 -14.149 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.061 -14.281 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.018 -12.919 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.620 -12.727 -1.972 1.00 0.00 H new ATOM 470 N VAL A 32 2.217 -7.912 3.678 1.00 0.00 N ATOM 471 CA VAL A 32 2.185 -6.732 4.507 1.00 0.00 C ATOM 472 C VAL A 32 2.130 -5.493 3.632 1.00 0.00 C ATOM 473 O VAL A 32 2.786 -5.431 2.576 1.00 0.00 O ATOM 474 CB VAL A 32 3.433 -6.669 5.450 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.411 -5.429 6.343 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.524 -7.924 6.304 1.00 0.00 C ATOM 0 H VAL A 32 3.145 -8.153 3.331 1.00 0.00 H new ATOM 0 HA VAL A 32 1.293 -6.776 5.132 1.00 0.00 H new ATOM 0 HB VAL A 32 4.315 -6.606 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.295 -5.425 6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.408 -4.533 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.515 -5.444 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.398 -7.860 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.625 -8.015 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.614 -8.798 5.658 1.00 0.00 H new ATOM 486 N CYS A 33 1.316 -4.558 4.043 1.00 0.00 N ATOM 487 CA CYS A 33 1.197 -3.287 3.401 1.00 0.00 C ATOM 488 C CYS A 33 2.287 -2.372 3.871 1.00 0.00 C ATOM 489 O CYS A 33 2.380 -2.055 5.060 1.00 0.00 O ATOM 490 CB CYS A 33 -0.166 -2.668 3.666 1.00 0.00 C ATOM 491 SG CYS A 33 -1.432 -3.169 2.492 1.00 0.00 S ATOM 0 H CYS A 33 0.705 -4.667 4.853 1.00 0.00 H new ATOM 0 HA CYS A 33 1.296 -3.434 2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.488 -2.939 4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.072 -1.582 3.643 1.00 0.00 H new ATOM 496 N ASN A 34 3.126 -1.972 2.963 1.00 0.00 N ATOM 497 CA ASN A 34 4.231 -1.111 3.284 1.00 0.00 C ATOM 498 C ASN A 34 4.073 0.148 2.503 1.00 0.00 C ATOM 499 O ASN A 34 3.654 0.103 1.349 1.00 0.00 O ATOM 500 CB ASN A 34 5.564 -1.745 2.885 1.00 0.00 C ATOM 501 CG ASN A 34 5.760 -3.150 3.380 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.254 -3.380 4.481 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.427 -4.097 2.556 1.00 0.00 N ATOM 0 H ASN A 34 3.066 -2.232 1.978 1.00 0.00 H new ATOM 0 HA ASN A 34 4.234 -0.931 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.642 -1.742 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.375 -1.123 3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.573 -5.073 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.019 -3.865 1.650 1.00 0.00 H new ATOM 510 N CYS A 35 4.350 1.252 3.106 1.00 0.00 N ATOM 511 CA CYS A 35 4.296 2.514 2.410 1.00 0.00 C ATOM 512 C CYS A 35 5.676 3.118 2.359 1.00 0.00 C ATOM 513 O CYS A 35 6.337 3.212 3.399 1.00 0.00 O ATOM 514 CB CYS A 35 3.316 3.473 3.079 1.00 0.00 C ATOM 515 SG CYS A 35 1.606 2.850 3.240 1.00 0.00 S ATOM 0 H CYS A 35 4.620 1.318 4.088 1.00 0.00 H new ATOM 0 HA CYS A 35 3.941 2.337 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.692 3.717 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.295 4.402 2.509 1.00 0.00 H new ATOM 520 N ARG A 36 6.110 3.525 1.155 1.00 0.00 N ATOM 521 CA ARG A 36 7.421 4.144 0.936 1.00 0.00 C ATOM 522 C ARG A 36 7.671 4.308 -0.558 1.00 0.00 C ATOM 523 O ARG A 36 8.033 5.375 -1.022 1.00 0.00 O ATOM 524 CB ARG A 36 8.551 3.281 1.518 1.00 0.00 C ATOM 525 CG ARG A 36 9.900 3.954 1.554 1.00 0.00 C ATOM 526 CD ARG A 36 10.971 3.022 2.082 1.00 0.00 C ATOM 527 NE ARG A 36 10.643 2.478 3.407 1.00 0.00 N ATOM 528 CZ ARG A 36 11.534 2.062 4.311 1.00 0.00 C ATOM 529 NH1 ARG A 36 12.839 2.214 4.089 1.00 0.00 N ATOM 530 NH2 ARG A 36 11.114 1.511 5.444 1.00 0.00 N ATOM 0 H ARG A 36 5.556 3.432 0.304 1.00 0.00 H new ATOM 0 HA ARG A 36 7.415 5.113 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.280 2.986 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.631 2.366 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.168 4.288 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.848 4.843 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.110 2.200 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.919 3.558 2.138 1.00 0.00 H new ATOM 0 HE ARG A 36 9.656 2.413 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.162 2.650 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.515 1.894 4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.115 1.407 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.791 1.192 6.137 1.00 0.00 H new ATOM 544 N ARG A 37 7.427 3.256 -1.293 1.00 0.00 N ATOM 545 CA ARG A 37 7.767 3.188 -2.689 1.00 0.00 C ATOM 546 C ARG A 37 6.542 3.393 -3.519 1.00 0.00 C ATOM 547 O ARG A 37 5.636 2.559 -3.444 1.00 0.00 O ATOM 548 CB ARG A 37 8.383 1.824 -2.998 1.00 0.00 C ATOM 549 CG ARG A 37 9.548 1.486 -2.098 1.00 0.00 C ATOM 550 CD ARG A 37 10.122 0.116 -2.392 1.00 0.00 C ATOM 551 NE ARG A 37 11.229 -0.207 -1.476 1.00 0.00 N ATOM 552 CZ ARG A 37 11.522 -1.433 -1.026 1.00 0.00 C ATOM 553 NH1 ARG A 37 10.840 -2.482 -1.462 1.00 0.00 N ATOM 554 NH2 ARG A 37 12.509 -1.609 -0.157 1.00 0.00 N ATOM 555 OXT ARG A 37 6.492 4.352 -4.296 1.00 0.00 O ATOM 0 H ARG A 37 6.981 2.412 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 37 8.489 3.970 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.618 1.054 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.716 1.808 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.328 2.238 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.225 1.527 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.339 -0.636 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.477 0.081 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 37 11.818 0.563 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.090 -2.356 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.065 -3.415 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.048 -0.808 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.728 -2.545 0.183 1.00 0.00 H new