USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 277 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 1 GLY N :NH3+ -119:sc= 0.378 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.96! C(o=-3!,f=-3.9!) USER MOD Single : A 14 LYS NZ :NH3+ -105:sc= -1.92! (180deg=-4.78!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.206 (180deg=-0.495) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -4.95! (180deg=-5.17!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 27 ASN : amide:sc= -0.564 K(o=-0.56,f=-6.9!) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0.164 (180deg=0.0691) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.970 -0.315 0.103 1.00 1.00 N ATOM 2 CA GLY A 1 0.952 -1.042 -0.710 1.00 1.00 C ATOM 3 C GLY A 1 -0.077 -0.077 -1.304 1.00 1.00 C ATOM 4 O GLY A 1 0.000 1.121 -1.104 1.00 1.00 O ATOM 0 H1 GLY A 1 2.914 -0.464 -0.308 1.00 1.00 H new ATOM 0 H2 GLY A 1 1.750 0.702 0.106 1.00 1.00 H new ATOM 0 H3 GLY A 1 1.957 -0.675 1.079 1.00 1.00 H new ATOM 0 HA2 GLY A 1 1.447 -1.588 -1.513 1.00 1.00 H new ATOM 0 HA3 GLY A 1 0.445 -1.780 -0.088 1.00 1.00 H new ATOM 10 N ASP A 2 -1.015 -0.646 -2.019 1.00 1.00 N ATOM 11 CA ASP A 2 -2.095 0.132 -2.673 1.00 1.00 C ATOM 12 C ASP A 2 -3.459 -0.242 -2.116 1.00 1.00 C ATOM 13 O ASP A 2 -3.576 -1.169 -1.342 1.00 1.00 O ATOM 14 CB ASP A 2 -2.070 -0.142 -4.169 1.00 1.00 C ATOM 15 CG ASP A 2 -2.464 -1.606 -4.457 1.00 1.00 C ATOM 16 OD1 ASP A 2 -1.656 -2.467 -4.144 1.00 1.00 O ATOM 17 OD2 ASP A 2 -3.559 -1.777 -4.969 1.00 1.00 O ATOM 0 H ASP A 2 -1.072 -1.652 -2.177 1.00 1.00 H new ATOM 0 HA ASP A 2 -1.925 1.191 -2.477 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -2.757 0.533 -4.680 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -1.074 0.057 -4.565 1.00 1.00 H new ATOM 22 N CYS A 3 -4.456 0.484 -2.548 1.00 1.00 N ATOM 23 CA CYS A 3 -5.841 0.224 -2.072 1.00 1.00 C ATOM 24 C CYS A 3 -6.468 -0.906 -2.901 1.00 1.00 C ATOM 25 O CYS A 3 -7.422 -0.713 -3.632 1.00 1.00 O ATOM 26 CB CYS A 3 -6.622 1.530 -2.213 1.00 1.00 C ATOM 27 SG CYS A 3 -5.833 3.050 -1.627 1.00 1.00 S ATOM 0 H CYS A 3 -4.367 1.251 -3.215 1.00 1.00 H new ATOM 0 HA CYS A 3 -5.854 -0.097 -1.030 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -6.865 1.663 -3.267 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -7.566 1.415 -1.680 1.00 1.00 H new ATOM 32 N LEU A 4 -5.872 -2.064 -2.742 1.00 1.00 N ATOM 33 CA LEU A 4 -6.311 -3.311 -3.446 1.00 1.00 C ATOM 34 C LEU A 4 -7.850 -3.464 -3.443 1.00 1.00 C ATOM 35 O LEU A 4 -8.489 -3.001 -2.517 1.00 1.00 O ATOM 36 CB LEU A 4 -5.632 -4.497 -2.729 1.00 1.00 C ATOM 37 CG LEU A 4 -4.093 -4.442 -2.954 1.00 1.00 C ATOM 38 CD1 LEU A 4 -3.393 -5.365 -1.946 1.00 1.00 C ATOM 39 CD2 LEU A 4 -3.758 -4.949 -4.379 1.00 1.00 C ATOM 0 H LEU A 4 -5.068 -2.200 -2.129 1.00 1.00 H new ATOM 0 HA LEU A 4 -6.018 -3.272 -4.495 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.854 -4.463 -1.662 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.030 -5.438 -3.108 1.00 1.00 H new ATOM 0 HG LEU A 4 -3.755 -3.414 -2.827 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -2.315 -5.326 -2.104 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -3.623 -5.037 -0.932 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.743 -6.388 -2.085 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -2.680 -4.910 -4.535 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.104 -5.977 -4.490 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -4.254 -4.318 -5.116 1.00 1.00 H new ATOM 51 N PRO A 5 -8.408 -4.100 -4.453 1.00 1.00 N ATOM 52 CA PRO A 5 -9.890 -4.221 -4.617 1.00 1.00 C ATOM 53 C PRO A 5 -10.501 -4.925 -3.399 1.00 1.00 C ATOM 54 O PRO A 5 -10.887 -4.305 -2.427 1.00 1.00 O ATOM 55 CB PRO A 5 -10.048 -4.998 -5.935 1.00 1.00 C ATOM 56 CG PRO A 5 -8.722 -5.807 -6.033 1.00 1.00 C ATOM 57 CD PRO A 5 -7.674 -4.795 -5.550 1.00 1.00 C ATOM 0 HA PRO A 5 -10.418 -3.269 -4.668 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.919 -5.653 -5.914 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -10.174 -4.327 -6.785 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.744 -6.698 -5.406 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -8.525 -6.139 -7.052 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -6.768 -5.284 -5.191 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -7.373 -4.108 -6.341 1.00 1.00 H new ATOM 65 N HIS A 6 -10.558 -6.222 -3.525 1.00 1.00 N ATOM 66 CA HIS A 6 -11.108 -7.100 -2.452 1.00 1.00 C ATOM 67 C HIS A 6 -10.111 -7.109 -1.277 1.00 1.00 C ATOM 68 O HIS A 6 -9.063 -6.499 -1.356 1.00 1.00 O ATOM 69 CB HIS A 6 -11.305 -8.511 -3.082 1.00 1.00 C ATOM 70 CG HIS A 6 -11.734 -9.569 -2.052 1.00 1.00 C ATOM 71 ND1 HIS A 6 -10.938 -10.163 -1.222 1.00 1.00 N ATOM 72 CD2 HIS A 6 -12.977 -10.108 -1.770 1.00 1.00 C ATOM 73 CE1 HIS A 6 -11.607 -10.993 -0.489 1.00 1.00 C ATOM 74 NE2 HIS A 6 -12.880 -10.991 -0.796 1.00 1.00 N ATOM 0 H HIS A 6 -10.236 -6.725 -4.352 1.00 1.00 H new ATOM 0 HA HIS A 6 -12.065 -6.752 -2.063 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -12.057 -8.451 -3.869 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -10.374 -8.826 -3.554 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -13.894 -9.843 -2.275 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -11.170 -11.611 0.281 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -13.626 -11.546 -0.377 1.00 1.00 H new ATOM 82 N LEU A 7 -10.515 -7.786 -0.233 1.00 1.00 N ATOM 83 CA LEU A 7 -9.745 -7.974 1.036 1.00 1.00 C ATOM 84 C LEU A 7 -8.575 -8.947 0.737 1.00 1.00 C ATOM 85 O LEU A 7 -8.435 -9.963 1.388 1.00 1.00 O ATOM 86 CB LEU A 7 -10.726 -8.545 2.100 1.00 1.00 C ATOM 87 CG LEU A 7 -12.134 -7.874 2.022 1.00 1.00 C ATOM 88 CD1 LEU A 7 -13.022 -8.455 3.134 1.00 1.00 C ATOM 89 CD2 LEU A 7 -12.042 -6.340 2.189 1.00 1.00 C ATOM 0 H LEU A 7 -11.422 -8.252 -0.212 1.00 1.00 H new ATOM 0 HA LEU A 7 -9.326 -7.043 1.419 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -10.829 -9.621 1.957 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -10.308 -8.395 3.095 1.00 1.00 H new ATOM 0 HG LEU A 7 -12.561 -8.080 1.040 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -14.009 -7.994 3.090 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -13.118 -9.532 2.997 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -12.570 -8.252 4.105 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -13.041 -5.907 2.129 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -11.602 -6.105 3.158 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -11.418 -5.925 1.397 1.00 1.00 H new ATOM 101 N LYS A 8 -7.776 -8.601 -0.244 1.00 1.00 N ATOM 102 CA LYS A 8 -6.600 -9.394 -0.697 1.00 1.00 C ATOM 103 C LYS A 8 -5.808 -10.016 0.453 1.00 1.00 C ATOM 104 O LYS A 8 -5.753 -9.471 1.540 1.00 1.00 O ATOM 105 CB LYS A 8 -5.727 -8.437 -1.536 1.00 1.00 C ATOM 106 CG LYS A 8 -4.538 -9.147 -2.211 1.00 1.00 C ATOM 107 CD LYS A 8 -5.031 -10.134 -3.270 1.00 1.00 C ATOM 108 CE LYS A 8 -5.715 -9.357 -4.406 1.00 1.00 C ATOM 109 NZ LYS A 8 -6.404 -10.318 -5.286 1.00 1.00 N ATOM 0 H LYS A 8 -7.907 -7.743 -0.779 1.00 1.00 H new ATOM 0 HA LYS A 8 -6.937 -10.248 -1.284 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -6.345 -7.966 -2.301 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -5.351 -7.640 -0.895 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -3.881 -8.409 -2.672 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.949 -9.674 -1.461 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.195 -10.713 -3.662 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.730 -10.843 -2.826 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.427 -8.640 -3.998 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.978 -8.787 -4.972 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.872 -9.806 -6.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -5.711 -10.985 -5.681 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.116 -10.842 -4.738 1.00 1.00 H new ATOM 123 N LEU A 9 -5.212 -11.144 0.164 1.00 1.00 N ATOM 124 CA LEU A 9 -4.418 -11.854 1.168 1.00 1.00 C ATOM 125 C LEU A 9 -3.118 -11.112 1.482 1.00 1.00 C ATOM 126 O LEU A 9 -2.557 -10.447 0.631 1.00 1.00 O ATOM 127 CB LEU A 9 -4.130 -13.252 0.630 1.00 1.00 C ATOM 128 CG LEU A 9 -3.577 -13.256 -0.833 1.00 1.00 C ATOM 129 CD1 LEU A 9 -2.512 -14.369 -0.954 1.00 1.00 C ATOM 130 CD2 LEU A 9 -4.720 -13.611 -1.821 1.00 1.00 C ATOM 0 H LEU A 9 -5.253 -11.599 -0.748 1.00 1.00 H new ATOM 0 HA LEU A 9 -4.975 -11.914 2.103 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -3.409 -13.743 1.284 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -5.046 -13.842 0.665 1.00 1.00 H new ATOM 0 HG LEU A 9 -3.161 -12.275 -1.062 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -2.116 -14.385 -1.969 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -1.701 -14.175 -0.252 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -2.966 -15.333 -0.726 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -4.333 -13.613 -2.840 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.115 -14.598 -1.581 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.516 -12.871 -1.737 1.00 1.00 H new ATOM 142 N CYS A 10 -2.686 -11.253 2.707 1.00 1.00 N ATOM 143 CA CYS A 10 -1.438 -10.596 3.149 1.00 1.00 C ATOM 144 C CYS A 10 -0.883 -11.238 4.422 1.00 1.00 C ATOM 145 O CYS A 10 -1.395 -12.224 4.918 1.00 1.00 O ATOM 146 CB CYS A 10 -1.676 -9.078 3.434 1.00 1.00 C ATOM 147 SG CYS A 10 -1.805 -8.556 5.165 1.00 1.00 S ATOM 0 H CYS A 10 -3.157 -11.805 3.424 1.00 1.00 H new ATOM 0 HA CYS A 10 -0.720 -10.718 2.338 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -0.861 -8.519 2.975 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -2.593 -8.781 2.925 1.00 1.00 H new ATOM 152 N LYS A 11 0.179 -10.612 4.865 1.00 1.00 N ATOM 153 CA LYS A 11 0.924 -10.998 6.097 1.00 1.00 C ATOM 154 C LYS A 11 1.175 -9.698 6.918 1.00 1.00 C ATOM 155 O LYS A 11 1.227 -9.755 8.131 1.00 1.00 O ATOM 156 CB LYS A 11 2.235 -11.719 5.683 1.00 1.00 C ATOM 157 CG LYS A 11 3.332 -10.793 5.100 1.00 1.00 C ATOM 158 CD LYS A 11 4.658 -11.140 5.818 1.00 1.00 C ATOM 159 CE LYS A 11 4.518 -10.891 7.350 1.00 1.00 C ATOM 160 NZ LYS A 11 5.154 -12.000 8.109 1.00 1.00 N ATOM 0 H LYS A 11 0.579 -9.802 4.391 1.00 1.00 H new ATOM 0 HA LYS A 11 0.365 -11.693 6.723 1.00 1.00 H new ATOM 0 HB2 LYS A 11 2.640 -12.234 6.554 1.00 1.00 H new ATOM 0 HB3 LYS A 11 1.995 -12.483 4.944 1.00 1.00 H new ATOM 0 HG2 LYS A 11 3.428 -10.941 4.024 1.00 1.00 H new ATOM 0 HG3 LYS A 11 3.073 -9.746 5.256 1.00 1.00 H new ATOM 0 HD2 LYS A 11 4.919 -12.182 5.633 1.00 1.00 H new ATOM 0 HD3 LYS A 11 5.468 -10.532 5.415 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.985 -9.943 7.616 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.465 -10.814 7.619 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 5.055 -11.824 9.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 4.689 -12.898 7.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 6.163 -12.055 7.864 1.00 1.00 H new ATOM 174 N GLU A 12 1.332 -8.569 6.250 1.00 1.00 N ATOM 175 CA GLU A 12 1.566 -7.253 6.939 1.00 1.00 C ATOM 176 C GLU A 12 0.520 -6.229 6.489 1.00 1.00 C ATOM 177 O GLU A 12 -0.093 -6.363 5.448 1.00 1.00 O ATOM 178 CB GLU A 12 2.933 -6.649 6.590 1.00 1.00 C ATOM 179 CG GLU A 12 4.036 -7.567 7.075 1.00 1.00 C ATOM 180 CD GLU A 12 5.453 -6.952 7.000 1.00 1.00 C ATOM 181 OE1 GLU A 12 5.574 -5.760 6.760 1.00 1.00 O ATOM 182 OE2 GLU A 12 6.364 -7.739 7.199 1.00 1.00 O ATOM 0 H GLU A 12 1.306 -8.507 5.232 1.00 1.00 H new ATOM 0 HA GLU A 12 1.509 -7.457 8.008 1.00 1.00 H new ATOM 0 HB2 GLU A 12 3.014 -6.506 5.512 1.00 1.00 H new ATOM 0 HB3 GLU A 12 3.036 -5.667 7.051 1.00 1.00 H new ATOM 0 HG2 GLU A 12 3.830 -7.850 8.107 1.00 1.00 H new ATOM 0 HG3 GLU A 12 4.018 -8.482 6.483 1.00 1.00 H new ATOM 189 N ASN A 13 0.367 -5.221 7.306 1.00 1.00 N ATOM 190 CA ASN A 13 -0.604 -4.134 7.023 1.00 1.00 C ATOM 191 C ASN A 13 -0.221 -3.394 5.732 1.00 1.00 C ATOM 192 O ASN A 13 -1.060 -3.167 4.878 1.00 1.00 O ATOM 193 CB ASN A 13 -0.616 -3.157 8.221 1.00 1.00 C ATOM 194 CG ASN A 13 0.774 -2.542 8.446 1.00 1.00 C ATOM 195 OD1 ASN A 13 1.726 -3.218 8.782 1.00 1.00 O ATOM 196 ND2 ASN A 13 0.930 -1.259 8.265 1.00 1.00 N ATOM 0 H ASN A 13 0.888 -5.107 8.176 1.00 1.00 H new ATOM 0 HA ASN A 13 -1.599 -4.558 6.884 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -1.343 -2.365 8.041 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -0.934 -3.684 9.121 1.00 1.00 H new ATOM 0 HD21 ASN A 13 1.845 -0.832 8.406 1.00 1.00 H new ATOM 0 HD22 ASN A 13 0.136 -0.684 7.983 1.00 1.00 H new ATOM 203 N LYS A 14 1.049 -3.061 5.647 1.00 1.00 N ATOM 204 CA LYS A 14 1.608 -2.328 4.464 1.00 1.00 C ATOM 205 C LYS A 14 1.012 -2.815 3.146 1.00 1.00 C ATOM 206 O LYS A 14 0.852 -2.034 2.230 1.00 1.00 O ATOM 207 CB LYS A 14 3.151 -2.492 4.418 1.00 1.00 C ATOM 208 CG LYS A 14 3.566 -3.968 4.234 1.00 1.00 C ATOM 209 CD LYS A 14 5.110 -4.147 4.212 1.00 1.00 C ATOM 210 CE LYS A 14 5.769 -3.473 2.986 1.00 1.00 C ATOM 211 NZ LYS A 14 5.811 -1.991 3.139 1.00 1.00 N ATOM 0 H LYS A 14 1.738 -3.273 6.369 1.00 1.00 H new ATOM 0 HA LYS A 14 1.343 -1.278 4.584 1.00 1.00 H new ATOM 0 HB2 LYS A 14 3.556 -1.896 3.600 1.00 1.00 H new ATOM 0 HB3 LYS A 14 3.585 -2.105 5.340 1.00 1.00 H new ATOM 0 HG2 LYS A 14 3.144 -4.565 5.042 1.00 1.00 H new ATOM 0 HG3 LYS A 14 3.145 -4.348 3.303 1.00 1.00 H new ATOM 0 HD2 LYS A 14 5.534 -3.727 5.124 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.349 -5.211 4.209 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.781 -3.856 2.858 1.00 1.00 H new ATOM 0 HE3 LYS A 14 5.214 -3.732 2.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.087 -1.559 2.530 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.625 -1.739 4.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.750 -1.640 2.863 1.00 1.00 H new ATOM 225 N ASP A 15 0.712 -4.094 3.113 1.00 1.00 N ATOM 226 CA ASP A 15 0.116 -4.734 1.895 1.00 1.00 C ATOM 227 C ASP A 15 -0.919 -3.841 1.190 1.00 1.00 C ATOM 228 O ASP A 15 -0.957 -3.789 -0.025 1.00 1.00 O ATOM 229 CB ASP A 15 -0.521 -6.069 2.330 1.00 1.00 C ATOM 230 CG ASP A 15 -1.087 -6.839 1.115 1.00 1.00 C ATOM 231 OD1 ASP A 15 -2.158 -6.460 0.672 1.00 1.00 O ATOM 232 OD2 ASP A 15 -0.416 -7.766 0.691 1.00 1.00 O ATOM 0 H ASP A 15 0.858 -4.733 3.895 1.00 1.00 H new ATOM 0 HA ASP A 15 0.908 -4.897 1.164 1.00 1.00 H new ATOM 0 HB2 ASP A 15 0.224 -6.682 2.838 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -1.319 -5.878 3.047 1.00 1.00 H new ATOM 237 N CYS A 16 -1.721 -3.175 1.980 1.00 1.00 N ATOM 238 CA CYS A 16 -2.769 -2.269 1.437 1.00 1.00 C ATOM 239 C CYS A 16 -2.518 -0.811 1.832 1.00 1.00 C ATOM 240 O CYS A 16 -1.878 -0.564 2.834 1.00 1.00 O ATOM 241 CB CYS A 16 -4.114 -2.715 1.985 1.00 1.00 C ATOM 242 SG CYS A 16 -5.067 -3.796 0.887 1.00 1.00 S ATOM 0 H CYS A 16 -1.690 -3.224 2.998 1.00 1.00 H new ATOM 0 HA CYS A 16 -2.750 -2.324 0.349 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -3.951 -3.234 2.929 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -4.711 -1.830 2.207 1.00 1.00 H new ATOM 247 N CYS A 17 -3.021 0.111 1.040 1.00 1.00 N ATOM 248 CA CYS A 17 -2.857 1.554 1.323 1.00 1.00 C ATOM 249 C CYS A 17 -3.598 1.829 2.641 1.00 1.00 C ATOM 250 O CYS A 17 -3.187 2.641 3.446 1.00 1.00 O ATOM 251 CB CYS A 17 -3.492 2.356 0.205 1.00 1.00 C ATOM 252 SG CYS A 17 -5.276 2.674 0.278 1.00 1.00 S ATOM 0 H CYS A 17 -3.549 -0.094 0.192 1.00 1.00 H new ATOM 0 HA CYS A 17 -1.806 1.831 1.397 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.985 3.320 0.158 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.285 1.840 -0.733 1.00 1.00 H new ATOM 257 N SER A 18 -4.689 1.115 2.794 1.00 1.00 N ATOM 258 CA SER A 18 -5.557 1.214 3.986 1.00 1.00 C ATOM 259 C SER A 18 -4.859 0.611 5.212 1.00 1.00 C ATOM 260 O SER A 18 -5.348 0.732 6.317 1.00 1.00 O ATOM 261 CB SER A 18 -6.853 0.464 3.682 1.00 1.00 C ATOM 262 OG SER A 18 -7.401 1.149 2.565 1.00 1.00 O ATOM 0 H SER A 18 -5.017 0.441 2.102 1.00 1.00 H new ATOM 0 HA SER A 18 -5.770 2.259 4.213 1.00 1.00 H new ATOM 0 HB2 SER A 18 -6.661 -0.584 3.451 1.00 1.00 H new ATOM 0 HB3 SER A 18 -7.533 0.484 4.534 1.00 1.00 H new ATOM 0 HG SER A 18 -8.244 0.724 2.302 1.00 1.00 H new ATOM 268 N LYS A 19 -3.731 -0.009 4.950 1.00 1.00 N ATOM 269 CA LYS A 19 -2.884 -0.674 5.980 1.00 1.00 C ATOM 270 C LYS A 19 -3.637 -1.230 7.196 1.00 1.00 C ATOM 271 O LYS A 19 -3.241 -1.024 8.329 1.00 1.00 O ATOM 272 CB LYS A 19 -1.819 0.331 6.445 1.00 1.00 C ATOM 273 CG LYS A 19 -0.892 0.653 5.260 1.00 1.00 C ATOM 274 CD LYS A 19 0.239 1.596 5.695 1.00 1.00 C ATOM 275 CE LYS A 19 -0.335 2.868 6.349 1.00 1.00 C ATOM 276 NZ LYS A 19 -1.401 3.447 5.487 1.00 1.00 N ATOM 0 H LYS A 19 -3.348 -0.081 4.007 1.00 1.00 H new ATOM 0 HA LYS A 19 -2.449 -1.551 5.500 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -2.293 1.241 6.812 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.244 -0.084 7.273 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.470 -0.269 4.861 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -1.467 1.113 4.457 1.00 1.00 H new ATOM 0 HD2 LYS A 19 0.896 1.084 6.398 1.00 1.00 H new ATOM 0 HD3 LYS A 19 0.846 1.867 4.831 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.740 2.630 7.332 1.00 1.00 H new ATOM 0 HE3 LYS A 19 0.459 3.599 6.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.374 4.485 5.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -1.246 3.157 4.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.330 3.105 5.806 1.00 1.00 H new ATOM 290 N LYS A 20 -4.719 -1.920 6.921 1.00 1.00 N ATOM 291 CA LYS A 20 -5.500 -2.503 8.049 1.00 1.00 C ATOM 292 C LYS A 20 -5.813 -3.937 7.645 1.00 1.00 C ATOM 293 O LYS A 20 -6.946 -4.322 7.452 1.00 1.00 O ATOM 294 CB LYS A 20 -6.797 -1.648 8.277 1.00 1.00 C ATOM 295 CG LYS A 20 -6.891 -1.200 9.761 1.00 1.00 C ATOM 296 CD LYS A 20 -6.931 -2.401 10.752 1.00 1.00 C ATOM 297 CE LYS A 20 -8.174 -3.281 10.522 1.00 1.00 C ATOM 298 NZ LYS A 20 -8.183 -4.407 11.498 1.00 1.00 N ATOM 0 H LYS A 20 -5.086 -2.100 5.986 1.00 1.00 H new ATOM 0 HA LYS A 20 -4.954 -2.496 8.992 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -6.784 -0.774 7.626 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -7.678 -2.232 8.009 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -6.037 -0.566 9.999 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -7.786 -0.593 9.897 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -6.030 -3.003 10.632 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -6.932 -2.029 11.777 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -9.079 -2.684 10.633 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -8.172 -3.670 9.504 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -9.024 -4.998 11.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -7.326 -4.983 11.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -8.205 -4.027 12.466 1.00 1.00 H new ATOM 312 N CYS A 21 -4.770 -4.712 7.527 1.00 1.00 N ATOM 313 CA CYS A 21 -4.971 -6.136 7.134 1.00 1.00 C ATOM 314 C CYS A 21 -4.941 -6.955 8.422 1.00 1.00 C ATOM 315 O CYS A 21 -4.142 -6.682 9.298 1.00 1.00 O ATOM 316 CB CYS A 21 -3.841 -6.531 6.157 1.00 1.00 C ATOM 317 SG CYS A 21 -3.754 -8.251 5.593 1.00 1.00 S ATOM 0 H CYS A 21 -3.803 -4.428 7.683 1.00 1.00 H new ATOM 0 HA CYS A 21 -5.919 -6.311 6.626 1.00 1.00 H new ATOM 0 HB2 CYS A 21 -3.927 -5.896 5.275 1.00 1.00 H new ATOM 0 HB3 CYS A 21 -2.891 -6.289 6.633 1.00 1.00 H new ATOM 322 N LYS A 22 -5.819 -7.929 8.503 1.00 1.00 N ATOM 323 CA LYS A 22 -5.877 -8.791 9.736 1.00 1.00 C ATOM 324 C LYS A 22 -6.177 -10.283 9.536 1.00 1.00 C ATOM 325 O LYS A 22 -6.754 -10.681 8.541 1.00 1.00 O ATOM 326 CB LYS A 22 -6.923 -8.142 10.708 1.00 1.00 C ATOM 327 CG LYS A 22 -8.239 -7.677 10.016 1.00 1.00 C ATOM 328 CD LYS A 22 -9.131 -8.810 9.451 1.00 1.00 C ATOM 329 CE LYS A 22 -9.744 -9.693 10.565 1.00 1.00 C ATOM 330 NZ LYS A 22 -8.742 -10.561 11.244 1.00 1.00 N ATOM 0 H LYS A 22 -6.494 -8.165 7.776 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.865 -8.809 10.141 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -7.171 -8.861 11.488 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -6.462 -7.285 11.199 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -8.823 -7.102 10.735 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -7.981 -7.001 9.201 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -9.933 -8.374 8.855 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -8.539 -9.434 8.781 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -10.221 -9.052 11.306 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -10.525 -10.319 10.135 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -9.232 -11.318 11.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -8.109 -10.981 10.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -8.184 -9.991 11.911 1.00 1.00 H new ATOM 344 N ARG A 23 -5.755 -11.057 10.517 1.00 1.00 N ATOM 345 CA ARG A 23 -5.964 -12.532 10.505 1.00 1.00 C ATOM 346 C ARG A 23 -6.835 -12.920 11.716 1.00 1.00 C ATOM 347 O ARG A 23 -6.855 -12.235 12.720 1.00 1.00 O ATOM 348 CB ARG A 23 -4.582 -13.270 10.591 1.00 1.00 C ATOM 349 CG ARG A 23 -4.564 -14.348 9.530 1.00 1.00 C ATOM 350 CD ARG A 23 -5.748 -15.330 9.472 1.00 1.00 C ATOM 351 NE ARG A 23 -5.875 -16.119 10.731 1.00 1.00 N ATOM 352 CZ ARG A 23 -6.088 -17.407 10.644 1.00 1.00 C ATOM 353 NH1 ARG A 23 -7.188 -17.817 10.075 1.00 1.00 N ATOM 354 NH2 ARG A 23 -5.211 -18.244 11.123 1.00 1.00 N ATOM 0 H ARG A 23 -5.264 -10.711 11.341 1.00 1.00 H new ATOM 0 HA ARG A 23 -6.461 -12.824 9.580 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -3.764 -12.567 10.435 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -4.443 -13.706 11.580 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -4.489 -13.858 8.559 1.00 1.00 H new ATOM 0 HG3 ARG A 23 -3.653 -14.932 9.664 1.00 1.00 H new ATOM 0 HD2 ARG A 23 -6.671 -14.777 9.295 1.00 1.00 H new ATOM 0 HD3 ARG A 23 -5.616 -16.009 8.629 1.00 1.00 H new ATOM 0 HE ARG A 23 -5.797 -15.664 11.641 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -7.857 -17.139 9.711 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -7.379 -18.816 9.994 1.00 1.00 H new ATOM 0 HH21 ARG A 23 -4.361 -17.894 11.565 1.00 1.00 H new ATOM 0 HH22 ARG A 23 -5.375 -19.248 11.056 1.00 1.00 H new ATOM 368 N ARG A 24 -7.526 -14.020 11.561 1.00 1.00 N ATOM 369 CA ARG A 24 -8.434 -14.577 12.602 1.00 1.00 C ATOM 370 C ARG A 24 -8.042 -16.040 12.886 1.00 1.00 C ATOM 371 O ARG A 24 -8.744 -16.970 12.536 1.00 1.00 O ATOM 372 CB ARG A 24 -9.914 -14.454 12.081 1.00 1.00 C ATOM 373 CG ARG A 24 -10.099 -15.047 10.646 1.00 1.00 C ATOM 374 CD ARG A 24 -9.598 -14.070 9.549 1.00 1.00 C ATOM 375 NE ARG A 24 -8.936 -14.889 8.489 1.00 1.00 N ATOM 376 CZ ARG A 24 -9.225 -14.734 7.223 1.00 1.00 C ATOM 377 NH1 ARG A 24 -10.465 -14.820 6.825 1.00 1.00 N ATOM 378 NH2 ARG A 24 -8.246 -14.497 6.394 1.00 1.00 N ATOM 0 H ARG A 24 -7.493 -14.580 10.709 1.00 1.00 H new ATOM 0 HA ARG A 24 -8.349 -14.026 13.539 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -10.582 -14.969 12.771 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -10.207 -13.404 12.077 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -9.556 -15.989 10.569 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -11.152 -15.272 10.479 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -10.430 -13.502 9.132 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -8.898 -13.348 9.969 1.00 1.00 H new ATOM 0 HE ARG A 24 -8.242 -15.586 8.759 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -11.206 -15.008 7.501 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -10.693 -14.700 5.838 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -7.288 -14.437 6.740 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -8.438 -14.371 5.400 1.00 1.00 H new ATOM 392 N GLY A 25 -6.910 -16.192 13.527 1.00 1.00 N ATOM 393 CA GLY A 25 -6.386 -17.531 13.875 1.00 1.00 C ATOM 394 C GLY A 25 -4.869 -17.553 14.061 1.00 1.00 C ATOM 395 O GLY A 25 -4.243 -16.534 14.282 1.00 1.00 O ATOM 0 H GLY A 25 -6.318 -15.418 13.828 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -6.863 -17.874 14.793 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -6.660 -18.237 13.091 1.00 1.00 H new ATOM 399 N THR A 26 -4.337 -18.743 13.956 1.00 1.00 N ATOM 400 CA THR A 26 -2.869 -18.969 14.114 1.00 1.00 C ATOM 401 C THR A 26 -2.072 -18.669 12.845 1.00 1.00 C ATOM 402 O THR A 26 -1.048 -18.017 12.911 1.00 1.00 O ATOM 403 CB THR A 26 -2.633 -20.442 14.541 1.00 1.00 C ATOM 404 OG1 THR A 26 -3.258 -21.248 13.548 1.00 1.00 O ATOM 405 CG2 THR A 26 -3.387 -20.781 15.841 1.00 1.00 C ATOM 0 H THR A 26 -4.873 -19.589 13.762 1.00 1.00 H new ATOM 0 HA THR A 26 -2.513 -18.276 14.876 1.00 1.00 H new ATOM 0 HB THR A 26 -1.563 -20.603 14.669 1.00 1.00 H new ATOM 0 HG1 THR A 26 -3.136 -22.195 13.771 1.00 1.00 H new ATOM 0 HG21 THR A 26 -3.199 -21.820 16.110 1.00 1.00 H new ATOM 0 HG22 THR A 26 -3.040 -20.130 16.643 1.00 1.00 H new ATOM 0 HG23 THR A 26 -4.456 -20.633 15.691 1.00 1.00 H new ATOM 413 N ASN A 27 -2.559 -19.148 11.731 1.00 1.00 N ATOM 414 CA ASN A 27 -1.838 -18.900 10.440 1.00 1.00 C ATOM 415 C ASN A 27 -2.015 -17.405 10.136 1.00 1.00 C ATOM 416 O ASN A 27 -3.094 -16.885 10.320 1.00 1.00 O ATOM 417 CB ASN A 27 -2.471 -19.765 9.334 1.00 1.00 C ATOM 418 CG ASN A 27 -1.546 -19.788 8.105 1.00 1.00 C ATOM 419 OD1 ASN A 27 -1.130 -18.771 7.587 1.00 1.00 O ATOM 420 ND2 ASN A 27 -1.203 -20.941 7.603 1.00 1.00 N ATOM 0 H ASN A 27 -3.416 -19.696 11.655 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.781 -19.159 10.498 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -2.633 -20.779 9.699 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -3.447 -19.365 9.060 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -0.593 -20.981 6.786 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -1.544 -21.804 8.027 1.00 1.00 H new ATOM 427 N ILE A 28 -0.971 -16.754 9.687 1.00 1.00 N ATOM 428 CA ILE A 28 -1.062 -15.286 9.378 1.00 1.00 C ATOM 429 C ILE A 28 -1.866 -14.901 8.156 1.00 1.00 C ATOM 430 O ILE A 28 -2.279 -13.767 8.102 1.00 1.00 O ATOM 431 CB ILE A 28 0.327 -14.683 9.209 1.00 1.00 C ATOM 432 CG1 ILE A 28 1.250 -15.243 10.295 1.00 1.00 C ATOM 433 CG2 ILE A 28 0.192 -13.116 9.363 1.00 1.00 C ATOM 434 CD1 ILE A 28 0.826 -14.819 11.707 1.00 1.00 C ATOM 0 H ILE A 28 -0.056 -17.173 9.520 1.00 1.00 H new ATOM 0 HA ILE A 28 -1.596 -14.890 10.242 1.00 1.00 H new ATOM 0 HB ILE A 28 0.746 -14.928 8.233 1.00 1.00 H new ATOM 0 HG12 ILE A 28 1.258 -16.331 10.234 1.00 1.00 H new ATOM 0 HG13 ILE A 28 2.270 -14.906 10.109 1.00 1.00 H new ATOM 0 HG21 ILE A 28 1.172 -12.653 9.247 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -0.483 -12.732 8.598 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -0.206 -12.880 10.350 1.00 1.00 H new ATOM 0 HD11 ILE A 28 1.515 -15.244 12.437 1.00 1.00 H new ATOM 0 HD12 ILE A 28 0.844 -13.732 11.781 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -0.183 -15.180 11.908 1.00 1.00 H new ATOM 446 N GLU A 29 -2.055 -15.810 7.239 1.00 1.00 N ATOM 447 CA GLU A 29 -2.846 -15.552 5.978 1.00 1.00 C ATOM 448 C GLU A 29 -4.065 -14.635 6.286 1.00 1.00 C ATOM 449 O GLU A 29 -5.167 -15.074 6.546 1.00 1.00 O ATOM 450 CB GLU A 29 -3.286 -16.933 5.435 1.00 1.00 C ATOM 451 CG GLU A 29 -3.955 -17.769 6.573 1.00 1.00 C ATOM 452 CD GLU A 29 -4.312 -19.177 6.063 1.00 1.00 C ATOM 453 OE1 GLU A 29 -3.383 -19.886 5.710 1.00 1.00 O ATOM 454 OE2 GLU A 29 -5.497 -19.467 6.056 1.00 1.00 O ATOM 0 H GLU A 29 -1.684 -16.758 7.306 1.00 1.00 H new ATOM 0 HA GLU A 29 -2.249 -15.032 5.229 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -3.986 -16.802 4.610 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -2.423 -17.468 5.039 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.278 -17.844 7.424 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -4.854 -17.263 6.924 1.00 1.00 H new ATOM 461 N LYS A 30 -3.792 -13.353 6.223 1.00 1.00 N ATOM 462 CA LYS A 30 -4.817 -12.297 6.512 1.00 1.00 C ATOM 463 C LYS A 30 -5.433 -11.587 5.323 1.00 1.00 C ATOM 464 O LYS A 30 -4.986 -11.772 4.212 1.00 1.00 O ATOM 465 CB LYS A 30 -4.146 -11.290 7.479 1.00 1.00 C ATOM 466 CG LYS A 30 -2.655 -11.023 7.200 1.00 1.00 C ATOM 467 CD LYS A 30 -2.017 -10.450 8.460 1.00 1.00 C ATOM 468 CE LYS A 30 -2.536 -9.060 8.725 1.00 1.00 C ATOM 469 NZ LYS A 30 -2.286 -8.720 10.144 1.00 1.00 N ATOM 0 H LYS A 30 -2.874 -12.984 5.976 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.682 -12.802 6.942 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.686 -10.344 7.429 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.250 -11.662 8.498 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -2.154 -11.946 6.909 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -2.545 -10.325 6.370 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -2.235 -11.095 9.311 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -0.933 -10.425 8.348 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -2.041 -8.341 8.072 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -3.603 -9.007 8.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -2.839 -7.878 10.402 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -2.569 -9.519 10.747 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -1.274 -8.524 10.281 1.00 1.00 H new ATOM 483 N ARG A 31 -6.439 -10.791 5.611 1.00 1.00 N ATOM 484 CA ARG A 31 -7.164 -10.028 4.564 1.00 1.00 C ATOM 485 C ARG A 31 -6.898 -8.536 4.688 1.00 1.00 C ATOM 486 O ARG A 31 -6.468 -8.086 5.728 1.00 1.00 O ATOM 487 CB ARG A 31 -8.670 -10.270 4.698 1.00 1.00 C ATOM 488 CG ARG A 31 -9.038 -11.748 4.593 1.00 1.00 C ATOM 489 CD ARG A 31 -8.715 -12.340 3.214 1.00 1.00 C ATOM 490 NE ARG A 31 -8.983 -13.807 3.285 1.00 1.00 N ATOM 491 CZ ARG A 31 -9.919 -14.340 2.548 1.00 1.00 C ATOM 492 NH1 ARG A 31 -9.753 -14.401 1.255 1.00 1.00 N ATOM 493 NH2 ARG A 31 -10.992 -14.793 3.136 1.00 1.00 N ATOM 0 H ARG A 31 -6.790 -10.641 6.557 1.00 1.00 H new ATOM 0 HA ARG A 31 -6.808 -10.372 3.593 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -9.013 -9.881 5.657 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -9.194 -9.713 3.922 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -8.501 -12.308 5.359 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -10.102 -11.869 4.796 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.329 -11.874 2.443 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -7.674 -12.152 2.950 1.00 1.00 H new ATOM 0 HE ARG A 31 -8.433 -14.395 3.911 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -8.900 -14.035 0.833 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -10.476 -14.815 0.667 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -11.085 -14.726 4.150 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -11.738 -15.214 2.582 1.00 1.00 H new ATOM 507 N CYS A 32 -7.199 -7.853 3.611 1.00 1.00 N ATOM 508 CA CYS A 32 -7.021 -6.374 3.469 1.00 1.00 C ATOM 509 C CYS A 32 -8.200 -5.458 3.849 1.00 1.00 C ATOM 510 O CYS A 32 -9.164 -5.361 3.114 1.00 1.00 O ATOM 511 CB CYS A 32 -6.635 -6.098 1.998 1.00 1.00 C ATOM 512 SG CYS A 32 -4.923 -5.691 1.576 1.00 1.00 S ATOM 0 H CYS A 32 -7.585 -8.291 2.774 1.00 1.00 H new ATOM 0 HA CYS A 32 -6.258 -6.115 4.203 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -6.911 -6.979 1.419 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -7.260 -5.277 1.647 1.00 1.00 H new ATOM 517 N ARG A 33 -8.093 -4.815 4.987 1.00 1.00 N ATOM 518 CA ARG A 33 -9.159 -3.889 5.460 1.00 1.00 C ATOM 519 C ARG A 33 -8.526 -2.468 5.582 1.00 1.00 C ATOM 520 O ARG A 33 -7.312 -2.346 5.437 1.00 1.00 O ATOM 521 CB ARG A 33 -9.674 -4.361 6.838 1.00 1.00 C ATOM 522 CG ARG A 33 -9.735 -5.905 6.970 1.00 1.00 C ATOM 523 CD ARG A 33 -10.825 -6.492 6.064 1.00 1.00 C ATOM 524 NE ARG A 33 -10.677 -7.979 6.085 1.00 1.00 N ATOM 525 CZ ARG A 33 -11.586 -8.759 6.615 1.00 1.00 C ATOM 526 NH1 ARG A 33 -12.852 -8.457 6.515 1.00 1.00 N ATOM 527 NH2 ARG A 33 -11.187 -9.834 7.237 1.00 1.00 N ATOM 528 OXT ARG A 33 -9.307 -1.563 5.824 1.00 1.00 O ATOM 0 H ARG A 33 -7.295 -4.898 5.617 1.00 1.00 H new ATOM 0 HA ARG A 33 -9.999 -3.871 4.765 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -9.026 -3.961 7.618 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -10.668 -3.948 7.008 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -8.768 -6.334 6.707 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -9.933 -6.177 8.007 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -11.814 -6.201 6.417 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -10.724 -6.111 5.048 1.00 1.00 H new ATOM 0 HE ARG A 33 -9.843 -8.399 5.674 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -13.137 -7.610 6.022 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -13.556 -9.068 6.929 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -10.191 -10.047 7.300 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -11.871 -10.462 7.660 1.00 1.00 H new TER 542 ARG A 33