USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 272 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 13 ASN : amide:sc= -2.62 K(o=-3.6,f=-4.9!) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 156:sc= -0.944 (180deg=-2.13!) USER MOD Single : A 6 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0606 (180deg=-0.321) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= -1.82! (180deg=-2.88!) USER MOD Single : A 14 LYS NZ :NH3+ -133:sc= -1.65 (180deg=-4.43!) USER MOD Single : A 18 SER OG : rot -159:sc= 0.698 USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= -3.66! (180deg=-6.03!) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0852) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.367 (180deg=0.0973) USER MOD ----------------------------------------------------------------- ATOM 10 N ASP A 2 2.693 -1.731 -2.867 1.00 1.00 N ATOM 11 CA ASP A 2 1.824 -2.733 -3.532 1.00 1.00 C ATOM 12 C ASP A 2 2.320 -4.161 -3.309 1.00 1.00 C ATOM 13 O ASP A 2 2.641 -4.880 -4.235 1.00 1.00 O ATOM 14 CB ASP A 2 1.767 -2.402 -5.041 1.00 1.00 C ATOM 15 CG ASP A 2 3.133 -1.978 -5.609 1.00 1.00 C ATOM 16 OD1 ASP A 2 4.011 -2.818 -5.630 1.00 1.00 O ATOM 17 OD2 ASP A 2 3.225 -0.823 -5.993 1.00 1.00 O ATOM 0 HA ASP A 2 0.826 -2.682 -3.096 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.406 -3.274 -5.586 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.045 -1.602 -5.206 1.00 1.00 H new ATOM 22 N CYS A 3 2.350 -4.537 -2.059 1.00 1.00 N ATOM 23 CA CYS A 3 2.816 -5.905 -1.697 1.00 1.00 C ATOM 24 C CYS A 3 1.601 -6.823 -1.664 1.00 1.00 C ATOM 25 O CYS A 3 1.202 -7.379 -0.659 1.00 1.00 O ATOM 26 CB CYS A 3 3.521 -5.794 -0.348 1.00 1.00 C ATOM 27 SG CYS A 3 5.049 -4.820 -0.339 1.00 1.00 S ATOM 0 H CYS A 3 2.071 -3.953 -1.271 1.00 1.00 H new ATOM 0 HA CYS A 3 3.519 -6.326 -2.416 1.00 1.00 H new ATOM 0 HB2 CYS A 3 2.827 -5.355 0.369 1.00 1.00 H new ATOM 0 HB3 CYS A 3 3.750 -6.799 0.005 1.00 1.00 H new ATOM 32 N LEU A 4 1.071 -6.907 -2.858 1.00 1.00 N ATOM 33 CA LEU A 4 -0.133 -7.726 -3.187 1.00 1.00 C ATOM 34 C LEU A 4 -0.032 -9.181 -2.651 1.00 1.00 C ATOM 35 O LEU A 4 1.042 -9.609 -2.274 1.00 1.00 O ATOM 36 CB LEU A 4 -0.257 -7.641 -4.738 1.00 1.00 C ATOM 37 CG LEU A 4 0.863 -8.399 -5.538 1.00 1.00 C ATOM 38 CD1 LEU A 4 2.299 -8.259 -4.971 1.00 1.00 C ATOM 39 CD2 LEU A 4 0.498 -9.871 -5.718 1.00 1.00 C ATOM 0 H LEU A 4 1.450 -6.409 -3.664 1.00 1.00 H new ATOM 0 HA LEU A 4 -1.031 -7.348 -2.699 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -1.227 -8.042 -5.032 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -0.244 -6.591 -5.031 1.00 1.00 H new ATOM 0 HG LEU A 4 0.896 -7.899 -6.506 1.00 1.00 H new ATOM 0 HD11 LEU A 4 2.994 -8.820 -5.597 1.00 1.00 H new ATOM 0 HD12 LEU A 4 2.586 -7.207 -4.962 1.00 1.00 H new ATOM 0 HD13 LEU A 4 2.329 -8.651 -3.955 1.00 1.00 H new ATOM 0 HD21 LEU A 4 1.287 -10.376 -6.274 1.00 1.00 H new ATOM 0 HD22 LEU A 4 0.386 -10.340 -4.741 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -0.440 -9.949 -6.268 1.00 1.00 H new ATOM 51 N PRO A 5 -1.126 -9.913 -2.625 1.00 1.00 N ATOM 52 CA PRO A 5 -1.122 -11.330 -2.164 1.00 1.00 C ATOM 53 C PRO A 5 -0.646 -12.300 -3.268 1.00 1.00 C ATOM 54 O PRO A 5 0.535 -12.399 -3.540 1.00 1.00 O ATOM 55 CB PRO A 5 -2.570 -11.538 -1.722 1.00 1.00 C ATOM 56 CG PRO A 5 -3.363 -10.718 -2.779 1.00 1.00 C ATOM 57 CD PRO A 5 -2.496 -9.456 -3.008 1.00 1.00 C ATOM 0 HA PRO A 5 -0.418 -11.535 -1.358 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -2.850 -12.591 -1.731 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -2.743 -11.171 -0.710 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -3.497 -11.282 -3.702 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -4.358 -10.458 -2.417 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -2.535 -9.123 -4.045 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -2.829 -8.621 -2.392 1.00 1.00 H new ATOM 65 N HIS A 6 -1.591 -12.981 -3.860 1.00 1.00 N ATOM 66 CA HIS A 6 -1.308 -13.963 -4.950 1.00 1.00 C ATOM 67 C HIS A 6 -0.873 -13.307 -6.272 1.00 1.00 C ATOM 68 O HIS A 6 -1.128 -12.150 -6.515 1.00 1.00 O ATOM 69 CB HIS A 6 -2.601 -14.805 -5.134 1.00 1.00 C ATOM 70 CG HIS A 6 -2.595 -15.623 -6.435 1.00 1.00 C ATOM 71 ND1 HIS A 6 -2.812 -15.134 -7.612 1.00 1.00 N ATOM 72 CD2 HIS A 6 -2.373 -16.969 -6.663 1.00 1.00 C ATOM 73 CE1 HIS A 6 -2.736 -16.075 -8.497 1.00 1.00 C ATOM 74 NE2 HIS A 6 -2.465 -17.234 -7.951 1.00 1.00 N ATOM 0 H HIS A 6 -2.580 -12.894 -3.625 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.460 -14.585 -4.665 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -2.714 -15.480 -4.286 1.00 1.00 H new ATOM 0 HB3 HIS A 6 -3.466 -14.141 -5.131 1.00 1.00 H new ATOM 0 HD2 HIS A 6 -2.156 -17.698 -5.896 1.00 1.00 H new ATOM 0 HE1 HIS A 6 -2.879 -15.923 -9.557 1.00 1.00 H new ATOM 0 HE2 HIS A 6 -2.351 -18.135 -8.416 1.00 1.00 H new ATOM 82 N LEU A 7 -0.205 -14.104 -7.060 1.00 1.00 N ATOM 83 CA LEU A 7 0.321 -13.741 -8.401 1.00 1.00 C ATOM 84 C LEU A 7 -0.831 -13.618 -9.429 1.00 1.00 C ATOM 85 O LEU A 7 -0.822 -14.271 -10.454 1.00 1.00 O ATOM 86 CB LEU A 7 1.388 -14.840 -8.779 1.00 1.00 C ATOM 87 CG LEU A 7 0.842 -16.307 -8.968 1.00 1.00 C ATOM 88 CD1 LEU A 7 1.851 -17.095 -9.839 1.00 1.00 C ATOM 89 CD2 LEU A 7 0.786 -17.076 -7.619 1.00 1.00 C ATOM 0 H LEU A 7 0.010 -15.067 -6.801 1.00 1.00 H new ATOM 0 HA LEU A 7 0.800 -12.762 -8.400 1.00 1.00 H new ATOM 0 HB2 LEU A 7 1.880 -14.536 -9.703 1.00 1.00 H new ATOM 0 HB3 LEU A 7 2.152 -14.857 -8.002 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.152 -16.231 -9.408 1.00 1.00 H new ATOM 0 HD11 LEU A 7 1.491 -18.114 -9.981 1.00 1.00 H new ATOM 0 HD12 LEU A 7 1.953 -16.607 -10.808 1.00 1.00 H new ATOM 0 HD13 LEU A 7 2.820 -17.119 -9.341 1.00 1.00 H new ATOM 0 HD21 LEU A 7 0.405 -18.083 -7.790 1.00 1.00 H new ATOM 0 HD22 LEU A 7 1.787 -17.135 -7.192 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.127 -16.551 -6.928 1.00 1.00 H new ATOM 101 N LYS A 8 -1.802 -12.779 -9.137 1.00 1.00 N ATOM 102 CA LYS A 8 -2.953 -12.602 -10.079 1.00 1.00 C ATOM 103 C LYS A 8 -2.486 -11.877 -11.327 1.00 1.00 C ATOM 104 O LYS A 8 -1.362 -11.413 -11.407 1.00 1.00 O ATOM 105 CB LYS A 8 -4.103 -11.776 -9.420 1.00 1.00 C ATOM 106 CG LYS A 8 -3.769 -10.272 -9.158 1.00 1.00 C ATOM 107 CD LYS A 8 -2.822 -10.046 -7.960 1.00 1.00 C ATOM 108 CE LYS A 8 -3.423 -10.651 -6.671 1.00 1.00 C ATOM 109 NZ LYS A 8 -4.799 -10.139 -6.435 1.00 1.00 N ATOM 0 H LYS A 8 -1.845 -12.212 -8.290 1.00 1.00 H new ATOM 0 HA LYS A 8 -3.332 -13.592 -10.333 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.983 -11.831 -10.061 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.369 -12.244 -8.472 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -3.315 -9.849 -10.054 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -4.697 -9.728 -8.984 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -1.853 -10.501 -8.164 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -2.650 -8.979 -7.822 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -3.444 -11.738 -6.750 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.788 -10.406 -5.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.091 -10.363 -5.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.814 -9.108 -6.572 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.456 -10.587 -7.105 1.00 1.00 H new ATOM 123 N LEU A 9 -3.388 -11.814 -12.268 1.00 1.00 N ATOM 124 CA LEU A 9 -3.113 -11.149 -13.545 1.00 1.00 C ATOM 125 C LEU A 9 -2.546 -9.740 -13.334 1.00 1.00 C ATOM 126 O LEU A 9 -2.950 -9.007 -12.453 1.00 1.00 O ATOM 127 CB LEU A 9 -4.392 -11.112 -14.299 1.00 1.00 C ATOM 128 CG LEU A 9 -5.038 -12.520 -14.490 1.00 1.00 C ATOM 129 CD1 LEU A 9 -6.342 -12.360 -15.298 1.00 1.00 C ATOM 130 CD2 LEU A 9 -4.088 -13.482 -15.253 1.00 1.00 C ATOM 0 H LEU A 9 -4.325 -12.210 -12.190 1.00 1.00 H new ATOM 0 HA LEU A 9 -2.355 -11.696 -14.105 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -5.096 -10.465 -13.775 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -4.216 -10.665 -15.277 1.00 1.00 H new ATOM 0 HG LEU A 9 -5.237 -12.945 -13.506 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -6.805 -13.337 -15.439 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -7.028 -11.708 -14.757 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -6.116 -11.921 -16.270 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -4.569 -14.453 -15.368 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -3.865 -13.069 -16.237 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -3.162 -13.601 -14.691 1.00 1.00 H new ATOM 142 N CYS A 10 -1.611 -9.442 -14.188 1.00 1.00 N ATOM 143 CA CYS A 10 -0.894 -8.160 -14.204 1.00 1.00 C ATOM 144 C CYS A 10 -0.472 -7.733 -15.621 1.00 1.00 C ATOM 145 O CYS A 10 -0.503 -8.531 -16.541 1.00 1.00 O ATOM 146 CB CYS A 10 0.328 -8.319 -13.278 1.00 1.00 C ATOM 147 SG CYS A 10 1.523 -6.967 -13.247 1.00 1.00 S ATOM 0 H CYS A 10 -1.304 -10.085 -14.918 1.00 1.00 H new ATOM 0 HA CYS A 10 -1.552 -7.366 -13.852 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -0.036 -8.471 -12.262 1.00 1.00 H new ATOM 0 HB3 CYS A 10 0.855 -9.228 -13.567 1.00 1.00 H new ATOM 152 N LYS A 11 -0.094 -6.479 -15.738 1.00 1.00 N ATOM 153 CA LYS A 11 0.353 -5.908 -17.048 1.00 1.00 C ATOM 154 C LYS A 11 1.654 -5.090 -16.860 1.00 1.00 C ATOM 155 O LYS A 11 2.439 -4.987 -17.784 1.00 1.00 O ATOM 156 CB LYS A 11 -0.804 -5.059 -17.623 1.00 1.00 C ATOM 157 CG LYS A 11 -0.956 -3.647 -16.995 1.00 1.00 C ATOM 158 CD LYS A 11 -1.063 -2.632 -18.155 1.00 1.00 C ATOM 159 CE LYS A 11 0.262 -2.620 -18.962 1.00 1.00 C ATOM 160 NZ LYS A 11 1.329 -1.947 -18.177 1.00 1.00 N ATOM 0 H LYS A 11 -0.077 -5.816 -14.963 1.00 1.00 H new ATOM 0 HA LYS A 11 0.588 -6.700 -17.759 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -0.655 -4.948 -18.697 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -1.738 -5.604 -17.485 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -1.843 -3.602 -16.363 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -0.100 -3.415 -16.361 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -1.895 -2.897 -18.807 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -1.270 -1.637 -17.762 1.00 1.00 H new ATOM 0 HE2 LYS A 11 0.562 -3.641 -19.199 1.00 1.00 H new ATOM 0 HE3 LYS A 11 0.115 -2.103 -19.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 1.679 -1.121 -18.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 0.944 -1.636 -17.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 2.112 -2.612 -18.015 1.00 1.00 H new ATOM 174 N GLU A 12 1.846 -4.527 -15.687 1.00 1.00 N ATOM 175 CA GLU A 12 3.085 -3.723 -15.400 1.00 1.00 C ATOM 176 C GLU A 12 3.746 -4.227 -14.108 1.00 1.00 C ATOM 177 O GLU A 12 3.077 -4.613 -13.170 1.00 1.00 O ATOM 178 CB GLU A 12 2.748 -2.216 -15.232 1.00 1.00 C ATOM 179 CG GLU A 12 1.650 -2.021 -14.190 1.00 1.00 C ATOM 180 CD GLU A 12 1.299 -0.535 -14.016 1.00 1.00 C ATOM 181 OE1 GLU A 12 0.881 0.049 -15.003 1.00 1.00 O ATOM 182 OE2 GLU A 12 1.467 -0.067 -12.901 1.00 1.00 O ATOM 0 H GLU A 12 1.191 -4.590 -14.908 1.00 1.00 H new ATOM 0 HA GLU A 12 3.764 -3.843 -16.244 1.00 1.00 H new ATOM 0 HB2 GLU A 12 3.642 -1.670 -14.932 1.00 1.00 H new ATOM 0 HB3 GLU A 12 2.427 -1.801 -16.188 1.00 1.00 H new ATOM 0 HG2 GLU A 12 0.760 -2.574 -14.490 1.00 1.00 H new ATOM 0 HG3 GLU A 12 1.975 -2.434 -13.235 1.00 1.00 H new ATOM 189 N ASN A 13 5.053 -4.203 -14.104 1.00 1.00 N ATOM 190 CA ASN A 13 5.846 -4.659 -12.918 1.00 1.00 C ATOM 191 C ASN A 13 5.389 -3.980 -11.613 1.00 1.00 C ATOM 192 O ASN A 13 5.115 -4.632 -10.626 1.00 1.00 O ATOM 193 CB ASN A 13 7.339 -4.361 -13.199 1.00 1.00 C ATOM 194 CG ASN A 13 7.566 -2.869 -13.489 1.00 1.00 C ATOM 195 OD1 ASN A 13 7.046 -2.312 -14.435 1.00 1.00 O ATOM 196 ND2 ASN A 13 8.339 -2.187 -12.691 1.00 1.00 N ATOM 0 H ASN A 13 5.618 -3.880 -14.889 1.00 1.00 H new ATOM 0 HA ASN A 13 5.688 -5.728 -12.774 1.00 1.00 H new ATOM 0 HB2 ASN A 13 7.940 -4.662 -12.341 1.00 1.00 H new ATOM 0 HB3 ASN A 13 7.677 -4.954 -14.049 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.502 -1.195 -12.864 1.00 1.00 H new ATOM 0 HD22 ASN A 13 8.780 -2.645 -11.894 1.00 1.00 H new ATOM 203 N LYS A 14 5.314 -2.677 -11.685 1.00 1.00 N ATOM 204 CA LYS A 14 4.903 -1.793 -10.550 1.00 1.00 C ATOM 205 C LYS A 14 3.766 -2.363 -9.702 1.00 1.00 C ATOM 206 O LYS A 14 3.735 -2.180 -8.501 1.00 1.00 O ATOM 207 CB LYS A 14 4.475 -0.441 -11.129 1.00 1.00 C ATOM 208 CG LYS A 14 5.670 0.261 -11.815 1.00 1.00 C ATOM 209 CD LYS A 14 5.215 1.497 -12.642 1.00 1.00 C ATOM 210 CE LYS A 14 4.516 2.571 -11.774 1.00 1.00 C ATOM 211 NZ LYS A 14 3.141 2.140 -11.390 1.00 1.00 N ATOM 0 H LYS A 14 5.535 -2.160 -12.536 1.00 1.00 H new ATOM 0 HA LYS A 14 5.760 -1.700 -9.883 1.00 1.00 H new ATOM 0 HB2 LYS A 14 3.670 -0.586 -11.849 1.00 1.00 H new ATOM 0 HB3 LYS A 14 4.082 0.193 -10.334 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.390 0.574 -11.059 1.00 1.00 H new ATOM 0 HG3 LYS A 14 6.181 -0.446 -12.469 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.082 1.940 -13.133 1.00 1.00 H new ATOM 0 HD3 LYS A 14 4.534 1.172 -13.429 1.00 1.00 H new ATOM 0 HE2 LYS A 14 5.106 2.758 -10.877 1.00 1.00 H new ATOM 0 HE3 LYS A 14 4.466 3.511 -12.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 2.473 2.920 -11.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 2.863 1.317 -11.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 3.127 1.882 -10.383 1.00 1.00 H new ATOM 225 N ASP A 15 2.875 -3.037 -10.378 1.00 1.00 N ATOM 226 CA ASP A 15 1.691 -3.656 -9.696 1.00 1.00 C ATOM 227 C ASP A 15 2.037 -4.467 -8.446 1.00 1.00 C ATOM 228 O ASP A 15 1.311 -4.452 -7.473 1.00 1.00 O ATOM 229 CB ASP A 15 0.925 -4.590 -10.676 1.00 1.00 C ATOM 230 CG ASP A 15 0.299 -3.818 -11.861 1.00 1.00 C ATOM 231 OD1 ASP A 15 -0.150 -2.703 -11.647 1.00 1.00 O ATOM 232 OD2 ASP A 15 0.294 -4.399 -12.934 1.00 1.00 O ATOM 0 H ASP A 15 2.914 -3.189 -11.386 1.00 1.00 H new ATOM 0 HA ASP A 15 1.076 -2.812 -9.382 1.00 1.00 H new ATOM 0 HB2 ASP A 15 1.608 -5.347 -11.060 1.00 1.00 H new ATOM 0 HB3 ASP A 15 0.139 -5.115 -10.133 1.00 1.00 H new ATOM 237 N CYS A 16 3.139 -5.157 -8.526 1.00 1.00 N ATOM 238 CA CYS A 16 3.652 -6.007 -7.442 1.00 1.00 C ATOM 239 C CYS A 16 4.884 -5.358 -6.769 1.00 1.00 C ATOM 240 O CYS A 16 5.714 -4.805 -7.463 1.00 1.00 O ATOM 241 CB CYS A 16 3.964 -7.288 -8.161 1.00 1.00 C ATOM 242 SG CYS A 16 2.935 -7.714 -9.594 1.00 1.00 S ATOM 0 H CYS A 16 3.732 -5.157 -9.356 1.00 1.00 H new ATOM 0 HA CYS A 16 2.958 -6.160 -6.615 1.00 1.00 H new ATOM 0 HB2 CYS A 16 5.001 -7.244 -8.493 1.00 1.00 H new ATOM 0 HB3 CYS A 16 3.894 -8.104 -7.441 1.00 1.00 H new ATOM 247 N CYS A 17 4.976 -5.427 -5.457 1.00 1.00 N ATOM 248 CA CYS A 17 6.130 -4.851 -4.700 1.00 1.00 C ATOM 249 C CYS A 17 7.404 -5.524 -5.219 1.00 1.00 C ATOM 250 O CYS A 17 8.447 -4.913 -5.347 1.00 1.00 O ATOM 251 CB CYS A 17 5.951 -5.147 -3.213 1.00 1.00 C ATOM 252 SG CYS A 17 5.117 -3.936 -2.157 1.00 1.00 S ATOM 0 H CYS A 17 4.274 -5.874 -4.866 1.00 1.00 H new ATOM 0 HA CYS A 17 6.190 -3.771 -4.837 1.00 1.00 H new ATOM 0 HB2 CYS A 17 5.402 -6.085 -3.131 1.00 1.00 H new ATOM 0 HB3 CYS A 17 6.942 -5.319 -2.793 1.00 1.00 H new ATOM 257 N SER A 18 7.235 -6.792 -5.490 1.00 1.00 N ATOM 258 CA SER A 18 8.325 -7.651 -6.015 1.00 1.00 C ATOM 259 C SER A 18 8.679 -7.164 -7.433 1.00 1.00 C ATOM 260 O SER A 18 9.783 -7.344 -7.908 1.00 1.00 O ATOM 261 CB SER A 18 7.824 -9.103 -6.039 1.00 1.00 C ATOM 262 OG SER A 18 8.866 -9.842 -6.662 1.00 1.00 O ATOM 0 H SER A 18 6.349 -7.281 -5.362 1.00 1.00 H new ATOM 0 HA SER A 18 9.217 -7.597 -5.390 1.00 1.00 H new ATOM 0 HB2 SER A 18 7.628 -9.470 -5.031 1.00 1.00 H new ATOM 0 HB3 SER A 18 6.891 -9.189 -6.596 1.00 1.00 H new ATOM 0 HG SER A 18 8.506 -10.683 -7.013 1.00 1.00 H new ATOM 268 N LYS A 19 7.690 -6.559 -8.042 1.00 1.00 N ATOM 269 CA LYS A 19 7.771 -5.994 -9.419 1.00 1.00 C ATOM 270 C LYS A 19 8.138 -7.035 -10.482 1.00 1.00 C ATOM 271 O LYS A 19 8.860 -6.735 -11.414 1.00 1.00 O ATOM 272 CB LYS A 19 8.808 -4.825 -9.410 1.00 1.00 C ATOM 273 CG LYS A 19 8.300 -3.717 -8.462 1.00 1.00 C ATOM 274 CD LYS A 19 9.347 -2.598 -8.292 1.00 1.00 C ATOM 275 CE LYS A 19 9.491 -1.762 -9.579 1.00 1.00 C ATOM 276 NZ LYS A 19 8.209 -1.063 -9.882 1.00 1.00 N ATOM 0 H LYS A 19 6.776 -6.429 -7.609 1.00 1.00 H new ATOM 0 HA LYS A 19 6.780 -5.632 -9.694 1.00 1.00 H new ATOM 0 HB2 LYS A 19 9.782 -5.187 -9.080 1.00 1.00 H new ATOM 0 HB3 LYS A 19 8.939 -4.429 -10.417 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.375 -3.295 -8.856 1.00 1.00 H new ATOM 0 HG3 LYS A 19 8.065 -4.148 -7.489 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.057 -1.949 -7.465 1.00 1.00 H new ATOM 0 HD3 LYS A 19 10.311 -3.036 -8.031 1.00 1.00 H new ATOM 0 HE2 LYS A 19 10.293 -1.033 -9.461 1.00 1.00 H new ATOM 0 HE3 LYS A 19 9.768 -2.408 -10.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 8.401 -0.224 -10.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.576 -1.707 -10.398 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.755 -0.770 -8.993 1.00 1.00 H new ATOM 290 N LYS A 20 7.631 -8.235 -10.313 1.00 1.00 N ATOM 291 CA LYS A 20 7.934 -9.300 -11.316 1.00 1.00 C ATOM 292 C LYS A 20 6.592 -9.860 -11.777 1.00 1.00 C ATOM 293 O LYS A 20 6.037 -10.847 -11.333 1.00 1.00 O ATOM 294 CB LYS A 20 8.848 -10.366 -10.677 1.00 1.00 C ATOM 295 CG LYS A 20 10.220 -9.706 -10.454 1.00 1.00 C ATOM 296 CD LYS A 20 11.337 -10.753 -10.370 1.00 1.00 C ATOM 297 CE LYS A 20 11.204 -11.664 -9.129 1.00 1.00 C ATOM 298 NZ LYS A 20 10.077 -12.625 -9.287 1.00 1.00 N ATOM 0 H LYS A 20 7.031 -8.517 -9.538 1.00 1.00 H new ATOM 0 HA LYS A 20 8.476 -8.919 -12.182 1.00 1.00 H new ATOM 0 HB2 LYS A 20 8.431 -10.716 -9.733 1.00 1.00 H new ATOM 0 HB3 LYS A 20 8.939 -11.236 -11.328 1.00 1.00 H new ATOM 0 HG2 LYS A 20 10.429 -9.013 -11.269 1.00 1.00 H new ATOM 0 HG3 LYS A 20 10.199 -9.120 -9.535 1.00 1.00 H new ATOM 0 HD2 LYS A 20 11.323 -11.367 -11.270 1.00 1.00 H new ATOM 0 HD3 LYS A 20 12.303 -10.248 -10.344 1.00 1.00 H new ATOM 0 HE2 LYS A 20 12.134 -12.212 -8.975 1.00 1.00 H new ATOM 0 HE3 LYS A 20 11.043 -11.053 -8.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 9.288 -12.339 -8.673 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 9.761 -12.629 -10.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 10.394 -13.579 -9.021 1.00 1.00 H new ATOM 312 N CYS A 21 6.155 -9.086 -12.726 1.00 1.00 N ATOM 313 CA CYS A 21 4.873 -9.255 -13.462 1.00 1.00 C ATOM 314 C CYS A 21 5.286 -10.056 -14.702 1.00 1.00 C ATOM 315 O CYS A 21 5.726 -9.469 -15.673 1.00 1.00 O ATOM 316 CB CYS A 21 4.390 -7.827 -13.749 1.00 1.00 C ATOM 317 SG CYS A 21 2.873 -7.462 -14.663 1.00 1.00 S ATOM 0 H CYS A 21 6.684 -8.274 -13.045 1.00 1.00 H new ATOM 0 HA CYS A 21 4.057 -9.776 -12.961 1.00 1.00 H new ATOM 0 HB2 CYS A 21 4.294 -7.333 -12.782 1.00 1.00 H new ATOM 0 HB3 CYS A 21 5.199 -7.329 -14.283 1.00 1.00 H new ATOM 322 N LYS A 22 5.142 -11.365 -14.638 1.00 1.00 N ATOM 323 CA LYS A 22 5.551 -12.204 -15.837 1.00 1.00 C ATOM 324 C LYS A 22 4.559 -13.208 -16.428 1.00 1.00 C ATOM 325 O LYS A 22 3.809 -13.872 -15.739 1.00 1.00 O ATOM 326 CB LYS A 22 6.816 -12.997 -15.501 1.00 1.00 C ATOM 327 CG LYS A 22 8.056 -12.080 -15.333 1.00 1.00 C ATOM 328 CD LYS A 22 8.400 -11.327 -16.656 1.00 1.00 C ATOM 329 CE LYS A 22 8.545 -12.309 -17.849 1.00 1.00 C ATOM 330 NZ LYS A 22 9.611 -13.314 -17.572 1.00 1.00 N ATOM 0 H LYS A 22 4.773 -11.881 -13.840 1.00 1.00 H new ATOM 0 HA LYS A 22 5.663 -11.437 -16.604 1.00 1.00 H new ATOM 0 HB2 LYS A 22 6.656 -13.560 -14.582 1.00 1.00 H new ATOM 0 HB3 LYS A 22 7.008 -13.723 -16.291 1.00 1.00 H new ATOM 0 HG2 LYS A 22 7.868 -11.356 -14.540 1.00 1.00 H new ATOM 0 HG3 LYS A 22 8.912 -12.679 -15.022 1.00 1.00 H new ATOM 0 HD2 LYS A 22 7.619 -10.599 -16.875 1.00 1.00 H new ATOM 0 HD3 LYS A 22 9.328 -10.769 -16.528 1.00 1.00 H new ATOM 0 HE2 LYS A 22 7.597 -12.816 -18.028 1.00 1.00 H new ATOM 0 HE3 LYS A 22 8.786 -11.755 -18.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 9.777 -13.888 -18.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 10.490 -12.824 -17.308 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 9.311 -13.932 -16.791 1.00 1.00 H new ATOM 344 N ARG A 23 4.638 -13.259 -17.734 1.00 1.00 N ATOM 345 CA ARG A 23 3.795 -14.144 -18.575 1.00 1.00 C ATOM 346 C ARG A 23 4.674 -15.126 -19.357 1.00 1.00 C ATOM 347 O ARG A 23 5.679 -14.770 -19.941 1.00 1.00 O ATOM 348 CB ARG A 23 2.955 -13.247 -19.547 1.00 1.00 C ATOM 349 CG ARG A 23 2.285 -14.077 -20.654 1.00 1.00 C ATOM 350 CD ARG A 23 1.341 -15.189 -20.117 1.00 1.00 C ATOM 351 NE ARG A 23 0.508 -14.653 -18.999 1.00 1.00 N ATOM 352 CZ ARG A 23 0.253 -15.403 -17.956 1.00 1.00 C ATOM 353 NH1 ARG A 23 -0.738 -16.246 -18.023 1.00 1.00 N ATOM 354 NH2 ARG A 23 0.983 -15.296 -16.881 1.00 1.00 N ATOM 0 H ARG A 23 5.291 -12.689 -18.272 1.00 1.00 H new ATOM 0 HA ARG A 23 3.122 -14.730 -17.949 1.00 1.00 H new ATOM 0 HB2 ARG A 23 2.192 -12.713 -18.981 1.00 1.00 H new ATOM 0 HB3 ARG A 23 3.602 -12.495 -19.998 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.715 -13.410 -21.301 1.00 1.00 H new ATOM 0 HG3 ARG A 23 3.058 -14.536 -21.270 1.00 1.00 H new ATOM 0 HD2 ARG A 23 0.698 -15.551 -20.919 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.928 -16.040 -19.770 1.00 1.00 H new ATOM 0 HE ARG A 23 0.138 -13.704 -19.048 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -1.296 -16.311 -18.875 1.00 1.00 H new ATOM 0 HH12 ARG A 23 -0.956 -16.841 -17.224 1.00 1.00 H new ATOM 0 HH21 ARG A 23 1.753 -14.628 -16.852 1.00 1.00 H new ATOM 0 HH22 ARG A 23 0.784 -15.880 -16.069 1.00 1.00 H new ATOM 368 N ARG A 24 4.216 -16.345 -19.312 1.00 1.00 N ATOM 369 CA ARG A 24 4.862 -17.509 -19.988 1.00 1.00 C ATOM 370 C ARG A 24 3.813 -18.075 -20.952 1.00 1.00 C ATOM 371 O ARG A 24 3.417 -19.225 -20.903 1.00 1.00 O ATOM 372 CB ARG A 24 5.299 -18.557 -18.892 1.00 1.00 C ATOM 373 CG ARG A 24 4.477 -18.413 -17.576 1.00 1.00 C ATOM 374 CD ARG A 24 2.960 -18.607 -17.797 1.00 1.00 C ATOM 375 NE ARG A 24 2.268 -17.766 -16.780 1.00 1.00 N ATOM 376 CZ ARG A 24 1.390 -18.281 -15.963 1.00 1.00 C ATOM 377 NH1 ARG A 24 0.202 -18.569 -16.417 1.00 1.00 N ATOM 378 NH2 ARG A 24 1.727 -18.487 -14.720 1.00 1.00 N ATOM 0 H ARG A 24 3.368 -16.596 -18.803 1.00 1.00 H new ATOM 0 HA ARG A 24 5.760 -17.238 -20.542 1.00 1.00 H new ATOM 0 HB2 ARG A 24 5.175 -19.565 -19.287 1.00 1.00 H new ATOM 0 HB3 ARG A 24 6.359 -18.429 -18.672 1.00 1.00 H new ATOM 0 HG2 ARG A 24 4.831 -19.145 -16.849 1.00 1.00 H new ATOM 0 HG3 ARG A 24 4.655 -17.427 -17.148 1.00 1.00 H new ATOM 0 HD2 ARG A 24 2.675 -18.308 -18.806 1.00 1.00 H new ATOM 0 HD3 ARG A 24 2.684 -19.655 -17.685 1.00 1.00 H new ATOM 0 HE ARG A 24 2.484 -16.771 -16.721 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -0.027 -18.391 -17.395 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -0.498 -18.972 -15.794 1.00 1.00 H new ATOM 0 HH21 ARG A 24 2.665 -18.246 -14.399 1.00 1.00 H new ATOM 0 HH22 ARG A 24 1.053 -18.889 -14.069 1.00 1.00 H new ATOM 392 N GLY A 25 3.410 -17.184 -21.816 1.00 1.00 N ATOM 393 CA GLY A 25 2.392 -17.483 -22.852 1.00 1.00 C ATOM 394 C GLY A 25 2.211 -16.304 -23.809 1.00 1.00 C ATOM 395 O GLY A 25 3.035 -15.412 -23.883 1.00 1.00 O ATOM 0 H GLY A 25 3.761 -16.227 -21.843 1.00 1.00 H new ATOM 0 HA2 GLY A 25 2.691 -18.368 -23.414 1.00 1.00 H new ATOM 0 HA3 GLY A 25 1.441 -17.715 -22.374 1.00 1.00 H new ATOM 399 N THR A 26 1.111 -16.360 -24.511 1.00 1.00 N ATOM 400 CA THR A 26 0.741 -15.313 -25.504 1.00 1.00 C ATOM 401 C THR A 26 -0.101 -14.220 -24.833 1.00 1.00 C ATOM 402 O THR A 26 0.116 -13.045 -25.059 1.00 1.00 O ATOM 403 CB THR A 26 -0.060 -15.966 -26.658 1.00 1.00 C ATOM 404 OG1 THR A 26 -1.172 -16.601 -26.036 1.00 1.00 O ATOM 405 CG2 THR A 26 0.742 -17.103 -27.328 1.00 1.00 C ATOM 0 H THR A 26 0.431 -17.116 -24.433 1.00 1.00 H new ATOM 0 HA THR A 26 1.647 -14.856 -25.902 1.00 1.00 H new ATOM 0 HB THR A 26 -0.314 -15.210 -27.401 1.00 1.00 H new ATOM 0 HG1 THR A 26 -1.725 -17.036 -26.719 1.00 1.00 H new ATOM 0 HG21 THR A 26 0.151 -17.540 -28.133 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.670 -16.702 -27.735 1.00 1.00 H new ATOM 0 HG23 THR A 26 0.971 -17.871 -26.589 1.00 1.00 H new ATOM 413 N ASN A 27 -1.036 -14.655 -24.027 1.00 1.00 N ATOM 414 CA ASN A 27 -1.940 -13.714 -23.295 1.00 1.00 C ATOM 415 C ASN A 27 -1.096 -13.004 -22.227 1.00 1.00 C ATOM 416 O ASN A 27 -0.897 -13.520 -21.144 1.00 1.00 O ATOM 417 CB ASN A 27 -3.077 -14.532 -22.654 1.00 1.00 C ATOM 418 CG ASN A 27 -3.844 -15.270 -23.759 1.00 1.00 C ATOM 419 OD1 ASN A 27 -4.480 -14.669 -24.602 1.00 1.00 O ATOM 420 ND2 ASN A 27 -3.806 -16.573 -23.791 1.00 1.00 N ATOM 0 H ASN A 27 -1.215 -15.642 -23.841 1.00 1.00 H new ATOM 0 HA ASN A 27 -2.383 -12.971 -23.958 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -2.670 -15.245 -21.937 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -3.750 -13.875 -22.103 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -4.308 -17.080 -24.520 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -3.274 -17.085 -23.087 1.00 1.00 H new ATOM 427 N ILE A 28 -0.631 -11.831 -22.586 1.00 1.00 N ATOM 428 CA ILE A 28 0.218 -11.000 -21.675 1.00 1.00 C ATOM 429 C ILE A 28 -0.148 -11.000 -20.221 1.00 1.00 C ATOM 430 O ILE A 28 0.769 -11.093 -19.440 1.00 1.00 O ATOM 431 CB ILE A 28 0.223 -9.523 -22.161 1.00 1.00 C ATOM 432 CG1 ILE A 28 1.425 -9.356 -23.100 1.00 1.00 C ATOM 433 CG2 ILE A 28 0.295 -8.485 -20.963 1.00 1.00 C ATOM 434 CD1 ILE A 28 2.722 -9.072 -22.308 1.00 1.00 C ATOM 0 H ILE A 28 -0.810 -11.405 -23.495 1.00 1.00 H new ATOM 0 HA ILE A 28 1.196 -11.478 -21.734 1.00 1.00 H new ATOM 0 HB ILE A 28 -0.713 -9.311 -22.678 1.00 1.00 H new ATOM 0 HG12 ILE A 28 1.551 -10.259 -23.697 1.00 1.00 H new ATOM 0 HG13 ILE A 28 1.235 -8.539 -23.796 1.00 1.00 H new ATOM 0 HG21 ILE A 28 0.296 -7.470 -21.361 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -0.569 -8.619 -20.313 1.00 1.00 H new ATOM 0 HG23 ILE A 28 1.208 -8.651 -20.392 1.00 1.00 H new ATOM 0 HD11 ILE A 28 3.555 -8.959 -23.002 1.00 1.00 H new ATOM 0 HD12 ILE A 28 2.603 -8.155 -21.732 1.00 1.00 H new ATOM 0 HD13 ILE A 28 2.924 -9.902 -21.631 1.00 1.00 H new ATOM 446 N GLU A 29 -1.420 -10.893 -19.926 1.00 1.00 N ATOM 447 CA GLU A 29 -1.923 -10.875 -18.510 1.00 1.00 C ATOM 448 C GLU A 29 -1.070 -11.856 -17.704 1.00 1.00 C ATOM 449 O GLU A 29 -1.351 -13.032 -17.582 1.00 1.00 O ATOM 450 CB GLU A 29 -3.401 -11.289 -18.517 1.00 1.00 C ATOM 451 CG GLU A 29 -4.186 -10.297 -19.401 1.00 1.00 C ATOM 452 CD GLU A 29 -5.686 -10.641 -19.350 1.00 1.00 C ATOM 453 OE1 GLU A 29 -6.020 -11.707 -19.843 1.00 1.00 O ATOM 454 OE2 GLU A 29 -6.415 -9.819 -18.818 1.00 1.00 O ATOM 0 H GLU A 29 -2.156 -10.815 -20.628 1.00 1.00 H new ATOM 0 HA GLU A 29 -1.847 -9.885 -18.060 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -3.508 -12.304 -18.900 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.799 -11.288 -17.502 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.024 -9.277 -19.054 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -3.826 -10.345 -20.429 1.00 1.00 H new ATOM 461 N LYS A 30 -0.029 -11.257 -17.178 1.00 1.00 N ATOM 462 CA LYS A 30 0.972 -11.992 -16.371 1.00 1.00 C ATOM 463 C LYS A 30 0.673 -12.129 -14.910 1.00 1.00 C ATOM 464 O LYS A 30 -0.263 -11.557 -14.407 1.00 1.00 O ATOM 465 CB LYS A 30 2.346 -11.309 -16.543 1.00 1.00 C ATOM 466 CG LYS A 30 2.372 -9.792 -16.505 1.00 1.00 C ATOM 467 CD LYS A 30 2.244 -9.226 -17.934 1.00 1.00 C ATOM 468 CE LYS A 30 2.994 -7.909 -18.009 1.00 1.00 C ATOM 469 NZ LYS A 30 4.460 -8.141 -17.874 1.00 1.00 N ATOM 0 H LYS A 30 0.166 -10.261 -17.283 1.00 1.00 H new ATOM 0 HA LYS A 30 0.955 -13.012 -16.755 1.00 1.00 H new ATOM 0 HB2 LYS A 30 3.008 -11.679 -15.760 1.00 1.00 H new ATOM 0 HB3 LYS A 30 2.767 -11.631 -17.495 1.00 1.00 H new ATOM 0 HG2 LYS A 30 1.556 -9.422 -15.884 1.00 1.00 H new ATOM 0 HG3 LYS A 30 3.301 -9.447 -16.050 1.00 1.00 H new ATOM 0 HD2 LYS A 30 2.650 -9.933 -18.657 1.00 1.00 H new ATOM 0 HD3 LYS A 30 1.195 -9.077 -18.188 1.00 1.00 H new ATOM 0 HE2 LYS A 30 2.783 -7.416 -18.958 1.00 1.00 H new ATOM 0 HE3 LYS A 30 2.650 -7.241 -17.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 4.977 -7.323 -18.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 4.701 -8.266 -16.870 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 4.726 -8.996 -18.403 1.00 1.00 H new ATOM 483 N ARG A 31 1.494 -12.894 -14.251 1.00 1.00 N ATOM 484 CA ARG A 31 1.277 -13.092 -12.810 1.00 1.00 C ATOM 485 C ARG A 31 2.156 -12.125 -12.038 1.00 1.00 C ATOM 486 O ARG A 31 3.249 -11.776 -12.458 1.00 1.00 O ATOM 487 CB ARG A 31 1.630 -14.532 -12.428 1.00 1.00 C ATOM 488 CG ARG A 31 1.034 -15.551 -13.405 1.00 1.00 C ATOM 489 CD ARG A 31 -0.485 -15.370 -13.599 1.00 1.00 C ATOM 490 NE ARG A 31 -0.928 -16.353 -14.633 1.00 1.00 N ATOM 491 CZ ARG A 31 -1.817 -17.258 -14.333 1.00 1.00 C ATOM 492 NH1 ARG A 31 -1.411 -18.405 -13.863 1.00 1.00 N ATOM 493 NH2 ARG A 31 -3.080 -16.984 -14.513 1.00 1.00 N ATOM 0 H ARG A 31 2.296 -13.383 -14.650 1.00 1.00 H new ATOM 0 HA ARG A 31 0.230 -12.907 -12.568 1.00 1.00 H new ATOM 0 HB2 ARG A 31 2.714 -14.645 -12.404 1.00 1.00 H new ATOM 0 HB3 ARG A 31 1.266 -14.739 -11.422 1.00 1.00 H new ATOM 0 HG2 ARG A 31 1.533 -15.459 -14.370 1.00 1.00 H new ATOM 0 HG3 ARG A 31 1.232 -16.558 -13.039 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -1.014 -15.537 -12.660 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -0.712 -14.352 -13.916 1.00 1.00 H new ATOM 0 HE ARG A 31 -0.535 -16.316 -15.574 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -0.414 -18.580 -13.736 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -2.090 -19.127 -13.622 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -3.357 -16.075 -14.883 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -3.790 -17.679 -14.284 1.00 1.00 H new ATOM 507 N CYS A 32 1.580 -11.771 -10.918 1.00 1.00 N ATOM 508 CA CYS A 32 2.182 -10.822 -9.941 1.00 1.00 C ATOM 509 C CYS A 32 3.114 -11.492 -8.915 1.00 1.00 C ATOM 510 O CYS A 32 2.769 -11.662 -7.760 1.00 1.00 O ATOM 511 CB CYS A 32 1.011 -10.111 -9.227 1.00 1.00 C ATOM 512 SG CYS A 32 1.135 -8.331 -8.911 1.00 1.00 S ATOM 0 H CYS A 32 0.667 -12.123 -10.630 1.00 1.00 H new ATOM 0 HA CYS A 32 2.819 -10.122 -10.481 1.00 1.00 H new ATOM 0 HB2 CYS A 32 0.112 -10.279 -9.819 1.00 1.00 H new ATOM 0 HB3 CYS A 32 0.859 -10.607 -8.268 1.00 1.00 H new ATOM 517 N ARG A 33 4.284 -11.856 -9.364 1.00 1.00 N ATOM 518 CA ARG A 33 5.263 -12.512 -8.451 1.00 1.00 C ATOM 519 C ARG A 33 6.517 -11.628 -8.261 1.00 1.00 C ATOM 520 O ARG A 33 6.454 -10.474 -8.672 1.00 1.00 O ATOM 521 CB ARG A 33 5.561 -13.926 -9.076 1.00 1.00 C ATOM 522 CG ARG A 33 5.974 -13.908 -10.573 1.00 1.00 C ATOM 523 CD ARG A 33 7.419 -13.440 -10.723 1.00 1.00 C ATOM 524 NE ARG A 33 7.745 -13.345 -12.175 1.00 1.00 N ATOM 525 CZ ARG A 33 8.754 -14.017 -12.659 1.00 1.00 C ATOM 526 NH1 ARG A 33 9.964 -13.672 -12.312 1.00 1.00 N ATOM 527 NH2 ARG A 33 8.519 -15.008 -13.473 1.00 1.00 N ATOM 528 OXT ARG A 33 7.469 -12.147 -7.703 1.00 1.00 O ATOM 0 H ARG A 33 4.605 -11.728 -10.324 1.00 1.00 H new ATOM 0 HA ARG A 33 4.872 -12.641 -7.442 1.00 1.00 H new ATOM 0 HB2 ARG A 33 6.356 -14.400 -8.501 1.00 1.00 H new ATOM 0 HB3 ARG A 33 4.673 -14.549 -8.967 1.00 1.00 H new ATOM 0 HG2 ARG A 33 5.862 -14.905 -10.999 1.00 1.00 H new ATOM 0 HG3 ARG A 33 5.311 -13.247 -11.131 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.554 -12.471 -10.242 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.095 -14.138 -10.229 1.00 1.00 H new ATOM 0 HE ARG A 33 7.181 -12.757 -12.788 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.108 -12.890 -11.673 1.00 1.00 H new ATOM 0 HH12 ARG A 33 10.766 -14.185 -12.679 1.00 1.00 H new ATOM 0 HH21 ARG A 33 7.559 -15.247 -13.722 1.00 1.00 H new ATOM 0 HH22 ARG A 33 9.295 -15.544 -13.861 1.00 1.00 H new