USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 283 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= -1.41 K(o=-1.2,f=-4.1!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 140:sc= 0.214 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.157 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0566 (180deg=-0.363) USER MOD Single : A 34 ASN : amide:sc= 1.12 K(o=1.1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.803 -0.483 4.911 1.00 0.00 N ATOM 2 CA GLY A 1 -7.423 -0.422 5.378 1.00 0.00 C ATOM 3 C GLY A 1 -6.526 -1.205 4.470 1.00 0.00 C ATOM 4 O GLY A 1 -6.992 -1.754 3.464 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.131 0.475 4.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.857 -1.088 4.067 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.406 -0.879 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.092 0.616 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.358 -0.817 6.392 1.00 0.00 H new ATOM 10 N ILE A 2 -5.263 -1.290 4.807 1.00 0.00 N ATOM 11 CA ILE A 2 -4.317 -1.996 3.982 1.00 0.00 C ATOM 12 C ILE A 2 -4.335 -3.499 4.241 1.00 0.00 C ATOM 13 O ILE A 2 -4.053 -3.982 5.342 1.00 0.00 O ATOM 14 CB ILE A 2 -2.891 -1.422 4.121 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.459 -1.309 5.596 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.789 -0.091 3.411 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.102 -0.680 5.791 1.00 0.00 C ATOM 0 H ILE A 2 -4.866 -0.877 5.651 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.633 -1.843 2.950 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.201 -2.119 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.201 -0.722 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.454 -2.305 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.778 0.302 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.017 -0.224 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.499 0.611 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.871 -0.636 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.347 -1.277 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.106 0.329 5.379 1.00 0.00 H new ATOM 29 N THR A 3 -4.699 -4.216 3.235 1.00 0.00 N ATOM 30 CA THR A 3 -4.775 -5.655 3.247 1.00 0.00 C ATOM 31 C THR A 3 -4.344 -6.126 1.862 1.00 0.00 C ATOM 32 O THR A 3 -4.620 -5.439 0.887 1.00 0.00 O ATOM 33 CB THR A 3 -6.233 -6.097 3.534 1.00 0.00 C ATOM 34 OG1 THR A 3 -6.689 -5.483 4.760 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.345 -7.610 3.668 1.00 0.00 C ATOM 0 H THR A 3 -4.965 -3.809 2.339 1.00 0.00 H new ATOM 0 HA THR A 3 -4.136 -6.082 4.020 1.00 0.00 H new ATOM 0 HB THR A 3 -6.850 -5.780 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.611 -5.761 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.381 -7.882 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.019 -8.082 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.715 -7.950 4.490 1.00 0.00 H new ATOM 43 N CYS A 4 -3.683 -7.241 1.759 1.00 0.00 N ATOM 44 CA CYS A 4 -3.197 -7.667 0.471 1.00 0.00 C ATOM 45 C CYS A 4 -4.000 -8.797 -0.123 1.00 0.00 C ATOM 46 O CYS A 4 -3.828 -9.969 0.248 1.00 0.00 O ATOM 47 CB CYS A 4 -1.731 -8.024 0.548 1.00 0.00 C ATOM 48 SG CYS A 4 -0.705 -6.627 1.064 1.00 0.00 S ATOM 0 H CYS A 4 -3.468 -7.867 2.535 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.320 -6.821 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.597 -8.848 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.395 -8.377 -0.427 1.00 0.00 H new ATOM 53 N ASP A 5 -4.894 -8.449 -1.011 1.00 0.00 N ATOM 54 CA ASP A 5 -5.672 -9.427 -1.753 1.00 0.00 C ATOM 55 C ASP A 5 -4.941 -9.677 -3.050 1.00 0.00 C ATOM 56 O ASP A 5 -4.876 -10.799 -3.555 1.00 0.00 O ATOM 57 CB ASP A 5 -7.086 -8.899 -2.013 1.00 0.00 C ATOM 58 CG ASP A 5 -7.946 -9.825 -2.852 1.00 0.00 C ATOM 59 OD1 ASP A 5 -8.328 -9.444 -3.983 1.00 0.00 O ATOM 60 OD2 ASP A 5 -8.298 -10.929 -2.384 1.00 0.00 O ATOM 0 H ASP A 5 -5.109 -7.480 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.777 -10.354 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.580 -8.728 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.016 -7.933 -2.513 1.00 0.00 H new ATOM 65 N LEU A 6 -4.352 -8.617 -3.553 1.00 0.00 N ATOM 66 CA LEU A 6 -3.512 -8.655 -4.703 1.00 0.00 C ATOM 67 C LEU A 6 -2.145 -8.197 -4.257 1.00 0.00 C ATOM 68 O LEU A 6 -2.020 -7.429 -3.314 1.00 0.00 O ATOM 69 CB LEU A 6 -4.031 -7.719 -5.810 1.00 0.00 C ATOM 70 CG LEU A 6 -5.424 -8.019 -6.361 1.00 0.00 C ATOM 71 CD1 LEU A 6 -5.820 -6.971 -7.385 1.00 0.00 C ATOM 72 CD2 LEU A 6 -5.468 -9.406 -6.980 1.00 0.00 C ATOM 0 H LEU A 6 -4.454 -7.684 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.490 -9.664 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.030 -6.700 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.324 -7.746 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.135 -7.989 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.815 -7.196 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.827 -5.988 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.103 -6.976 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.468 -9.600 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.747 -9.464 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.221 -10.150 -6.223 1.00 0.00 H new ATOM 84 N ILE A 7 -1.143 -8.704 -4.856 1.00 0.00 N ATOM 85 CA ILE A 7 0.181 -8.301 -4.561 1.00 0.00 C ATOM 86 C ILE A 7 0.621 -7.240 -5.537 1.00 0.00 C ATOM 87 O ILE A 7 0.664 -7.464 -6.745 1.00 0.00 O ATOM 88 CB ILE A 7 1.173 -9.487 -4.574 1.00 0.00 C ATOM 89 CG1 ILE A 7 0.837 -10.507 -3.484 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.617 -9.007 -4.397 1.00 0.00 C ATOM 91 CD1 ILE A 7 -0.404 -11.361 -3.699 1.00 0.00 C ATOM 0 H ILE A 7 -1.214 -9.422 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 7 0.184 -7.894 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 7 1.078 -9.969 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.692 -11.174 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.721 -9.971 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.290 -9.865 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.877 -8.329 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.713 -8.486 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.528 -12.041 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.280 -10.717 -3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.294 -11.938 -4.617 1.00 0.00 H new ATOM 103 N GLY A 8 0.862 -6.071 -5.014 1.00 0.00 N ATOM 104 CA GLY A 8 1.351 -4.941 -5.815 1.00 0.00 C ATOM 105 C GLY A 8 0.254 -4.227 -6.597 1.00 0.00 C ATOM 106 O GLY A 8 0.229 -3.004 -6.677 1.00 0.00 O ATOM 0 H GLY A 8 0.731 -5.856 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.841 -4.224 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.107 -5.301 -6.513 1.00 0.00 H new ATOM 110 N ASN A 9 -0.682 -4.997 -7.121 1.00 0.00 N ATOM 111 CA ASN A 9 -1.819 -4.485 -7.924 1.00 0.00 C ATOM 112 C ASN A 9 -2.924 -4.053 -6.996 1.00 0.00 C ATOM 113 O ASN A 9 -4.027 -3.666 -7.407 1.00 0.00 O ATOM 114 CB ASN A 9 -2.371 -5.585 -8.841 1.00 0.00 C ATOM 115 CG ASN A 9 -1.426 -6.044 -9.931 1.00 0.00 C ATOM 116 OD1 ASN A 9 -0.202 -6.008 -9.793 1.00 0.00 O ATOM 117 ND2 ASN A 9 -1.984 -6.493 -11.012 1.00 0.00 N ATOM 0 H ASN A 9 -0.690 -6.011 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.467 -3.649 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.641 -6.446 -8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.289 -5.224 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.406 -6.831 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.001 -6.508 -11.093 1.00 0.00 H new ATOM 124 N GLU A 10 -2.600 -4.099 -5.757 1.00 0.00 N ATOM 125 CA GLU A 10 -3.461 -3.835 -4.679 1.00 0.00 C ATOM 126 C GLU A 10 -3.564 -2.321 -4.456 1.00 0.00 C ATOM 127 O GLU A 10 -2.984 -1.747 -3.525 1.00 0.00 O ATOM 128 CB GLU A 10 -2.904 -4.598 -3.482 1.00 0.00 C ATOM 129 CG GLU A 10 -3.652 -4.481 -2.202 1.00 0.00 C ATOM 130 CD GLU A 10 -5.077 -4.915 -2.324 1.00 0.00 C ATOM 131 OE1 GLU A 10 -5.340 -6.117 -2.487 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.975 -4.051 -2.248 1.00 0.00 O ATOM 0 H GLU A 10 -1.656 -4.340 -5.454 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.482 -4.170 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.850 -5.654 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.882 -4.260 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.157 -5.084 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.620 -3.446 -1.860 1.00 0.00 H new ATOM 139 N ARG A 11 -4.262 -1.685 -5.372 1.00 0.00 N ATOM 140 CA ARG A 11 -4.462 -0.241 -5.368 1.00 0.00 C ATOM 141 C ARG A 11 -5.153 0.238 -4.104 1.00 0.00 C ATOM 142 O ARG A 11 -4.887 1.342 -3.631 1.00 0.00 O ATOM 143 CB ARG A 11 -5.241 0.217 -6.589 1.00 0.00 C ATOM 144 CG ARG A 11 -4.567 -0.068 -7.920 1.00 0.00 C ATOM 145 CD ARG A 11 -5.286 0.653 -9.043 1.00 0.00 C ATOM 146 NE ARG A 11 -5.228 2.108 -8.848 1.00 0.00 N ATOM 147 CZ ARG A 11 -6.105 3.002 -9.317 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.161 2.611 -10.020 1.00 0.00 N ATOM 149 NH2 ARG A 11 -5.917 4.294 -9.067 1.00 0.00 N ATOM 0 H ARG A 11 -4.715 -2.158 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.468 0.206 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.218 -0.267 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.416 1.290 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.525 0.251 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.565 -1.141 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.832 0.391 -9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.326 0.328 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.445 2.470 -8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.310 1.620 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.823 3.302 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.109 4.596 -8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.580 4.984 -9.420 1.00 0.00 H new ATOM 163 N LEU A 12 -6.006 -0.611 -3.537 1.00 0.00 N ATOM 164 CA LEU A 12 -6.711 -0.296 -2.296 1.00 0.00 C ATOM 165 C LEU A 12 -5.735 -0.184 -1.123 1.00 0.00 C ATOM 166 O LEU A 12 -6.059 0.393 -0.085 1.00 0.00 O ATOM 167 CB LEU A 12 -7.797 -1.331 -2.001 1.00 0.00 C ATOM 168 CG LEU A 12 -8.940 -1.420 -3.019 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.872 -2.559 -2.661 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.713 -0.107 -3.083 1.00 0.00 C ATOM 0 H LEU A 12 -6.227 -1.530 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.195 0.672 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.326 -2.311 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.225 -1.110 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.509 -1.611 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.679 -2.612 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.318 -3.498 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.291 -2.389 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.519 -0.194 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.133 0.116 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.040 0.697 -3.381 1.00 0.00 H new ATOM 182 N CYS A 13 -4.560 -0.742 -1.287 1.00 0.00 N ATOM 183 CA CYS A 13 -3.523 -0.616 -0.303 1.00 0.00 C ATOM 184 C CYS A 13 -2.756 0.671 -0.575 1.00 0.00 C ATOM 185 O CYS A 13 -2.634 1.540 0.296 1.00 0.00 O ATOM 186 CB CYS A 13 -2.591 -1.835 -0.353 1.00 0.00 C ATOM 187 SG CYS A 13 -1.080 -1.697 0.635 1.00 0.00 S ATOM 0 H CYS A 13 -4.300 -1.294 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.956 -0.575 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.147 -2.710 -0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.311 -2.015 -1.391 1.00 0.00 H new ATOM 192 N VAL A 14 -2.337 0.828 -1.831 1.00 0.00 N ATOM 193 CA VAL A 14 -1.532 1.971 -2.279 1.00 0.00 C ATOM 194 C VAL A 14 -2.217 3.305 -1.942 1.00 0.00 C ATOM 195 O VAL A 14 -1.563 4.257 -1.498 1.00 0.00 O ATOM 196 CB VAL A 14 -1.281 1.918 -3.811 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.287 2.989 -4.249 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.821 0.536 -4.256 1.00 0.00 C ATOM 0 H VAL A 14 -2.547 0.162 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.580 1.908 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.233 2.124 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.134 2.924 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.679 3.974 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.663 2.835 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.655 0.537 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.108 0.280 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.586 -0.200 -4.007 1.00 0.00 H new ATOM 208 N VAL A 15 -3.534 3.349 -2.109 1.00 0.00 N ATOM 209 CA VAL A 15 -4.314 4.559 -1.866 1.00 0.00 C ATOM 210 C VAL A 15 -4.230 5.024 -0.392 1.00 0.00 C ATOM 211 O VAL A 15 -4.321 6.221 -0.103 1.00 0.00 O ATOM 212 CB VAL A 15 -5.798 4.390 -2.311 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.553 3.397 -1.443 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.516 5.726 -2.383 1.00 0.00 C ATOM 0 H VAL A 15 -4.090 2.551 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.867 5.341 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.776 3.973 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.582 3.315 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.071 2.421 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.549 3.741 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.548 5.568 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.503 6.199 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.013 6.371 -3.103 1.00 0.00 H new ATOM 224 N HIS A 16 -4.007 4.090 0.521 1.00 0.00 N ATOM 225 CA HIS A 16 -3.883 4.426 1.943 1.00 0.00 C ATOM 226 C HIS A 16 -2.568 5.164 2.160 1.00 0.00 C ATOM 227 O HIS A 16 -2.494 6.170 2.884 1.00 0.00 O ATOM 228 CB HIS A 16 -3.950 3.150 2.805 1.00 0.00 C ATOM 229 CG HIS A 16 -3.759 3.358 4.284 1.00 0.00 C ATOM 230 ND1 HIS A 16 -4.711 3.895 5.120 1.00 0.00 N ATOM 231 CD2 HIS A 16 -2.694 3.068 5.069 1.00 0.00 C ATOM 232 CE1 HIS A 16 -4.218 3.915 6.354 1.00 0.00 C ATOM 233 NE2 HIS A 16 -2.989 3.418 6.382 1.00 0.00 N ATOM 0 H HIS A 16 -3.908 3.097 0.310 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.709 5.070 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.917 2.674 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.189 2.453 2.452 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.636 4.222 4.841 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.765 2.635 4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.748 4.287 7.219 1.00 0.00 H new ATOM 241 N CYS A 17 -1.556 4.689 1.489 1.00 0.00 N ATOM 242 CA CYS A 17 -0.244 5.279 1.541 1.00 0.00 C ATOM 243 C CYS A 17 -0.297 6.671 0.915 1.00 0.00 C ATOM 244 O CYS A 17 0.204 7.654 1.490 1.00 0.00 O ATOM 245 CB CYS A 17 0.710 4.384 0.781 1.00 0.00 C ATOM 246 SG CYS A 17 0.586 2.625 1.252 1.00 0.00 S ATOM 0 H CYS A 17 -1.618 3.871 0.883 1.00 0.00 H new ATOM 0 HA CYS A 17 0.099 5.377 2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.514 4.481 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.731 4.727 0.951 1.00 0.00 H new ATOM 251 N LEU A 18 -0.992 6.766 -0.214 1.00 0.00 N ATOM 252 CA LEU A 18 -1.134 8.031 -0.933 1.00 0.00 C ATOM 253 C LEU A 18 -1.929 9.036 -0.095 1.00 0.00 C ATOM 254 O LEU A 18 -1.672 10.234 -0.148 1.00 0.00 O ATOM 255 CB LEU A 18 -1.844 7.810 -2.277 1.00 0.00 C ATOM 256 CG LEU A 18 -1.190 6.823 -3.254 1.00 0.00 C ATOM 257 CD1 LEU A 18 -2.023 6.695 -4.519 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.232 7.241 -3.595 1.00 0.00 C ATOM 0 H LEU A 18 -1.469 5.979 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.136 8.429 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.857 7.464 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.932 8.775 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.144 5.850 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.544 5.991 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.019 6.333 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.104 7.669 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.666 6.521 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.220 8.228 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.830 7.274 -2.684 1.00 0.00 H new ATOM 270 N ALA A 19 -2.857 8.528 0.706 1.00 0.00 N ATOM 271 CA ALA A 19 -3.646 9.360 1.607 1.00 0.00 C ATOM 272 C ALA A 19 -2.766 9.909 2.716 1.00 0.00 C ATOM 273 O ALA A 19 -2.832 11.094 3.056 1.00 0.00 O ATOM 274 CB ALA A 19 -4.792 8.561 2.199 1.00 0.00 C ATOM 0 H ALA A 19 -3.083 7.534 0.750 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.060 10.193 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.371 9.197 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.435 8.198 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.394 7.713 2.757 1.00 0.00 H new ATOM 280 N LYS A 20 -1.920 9.051 3.272 1.00 0.00 N ATOM 281 CA LYS A 20 -0.983 9.469 4.312 1.00 0.00 C ATOM 282 C LYS A 20 0.114 10.375 3.764 1.00 0.00 C ATOM 283 O LYS A 20 0.800 11.053 4.521 1.00 0.00 O ATOM 284 CB LYS A 20 -0.392 8.278 5.057 1.00 0.00 C ATOM 285 CG LYS A 20 -1.374 7.592 5.983 1.00 0.00 C ATOM 286 CD LYS A 20 -0.725 6.445 6.720 1.00 0.00 C ATOM 287 CE LYS A 20 -1.656 5.896 7.775 1.00 0.00 C ATOM 288 NZ LYS A 20 -1.084 4.731 8.465 1.00 0.00 N ATOM 0 H LYS A 20 -1.862 8.064 3.022 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.558 10.053 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.023 7.553 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.468 8.614 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.765 8.313 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.223 7.223 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.460 5.657 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.202 6.782 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.877 6.676 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.602 5.614 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.307 4.785 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.488 3.859 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.052 4.724 8.337 1.00 0.00 H new ATOM 302 N GLY A 21 0.303 10.349 2.463 1.00 0.00 N ATOM 303 CA GLY A 21 1.223 11.283 1.847 1.00 0.00 C ATOM 304 C GLY A 21 2.438 10.609 1.306 1.00 0.00 C ATOM 305 O GLY A 21 3.405 11.260 0.917 1.00 0.00 O ATOM 0 H GLY A 21 -0.158 9.705 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.715 11.812 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.522 12.032 2.580 1.00 0.00 H new ATOM 309 N PHE A 22 2.400 9.314 1.289 1.00 0.00 N ATOM 310 CA PHE A 22 3.474 8.510 0.772 1.00 0.00 C ATOM 311 C PHE A 22 3.491 8.539 -0.718 1.00 0.00 C ATOM 312 O PHE A 22 2.477 8.843 -1.355 1.00 0.00 O ATOM 313 CB PHE A 22 3.322 7.064 1.233 1.00 0.00 C ATOM 314 CG PHE A 22 3.732 6.836 2.623 1.00 0.00 C ATOM 315 CD1 PHE A 22 2.812 6.774 3.646 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.051 6.666 2.902 1.00 0.00 C ATOM 317 CE1 PHE A 22 3.228 6.538 4.933 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.480 6.438 4.158 1.00 0.00 C ATOM 319 CZ PHE A 22 4.574 6.368 5.193 1.00 0.00 C ATOM 0 H PHE A 22 1.610 8.772 1.639 1.00 0.00 H new ATOM 0 HA PHE A 22 4.409 8.923 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.280 6.764 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.913 6.421 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.762 6.911 3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.771 6.715 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.508 6.486 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.534 6.310 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.914 6.181 6.201 1.00 0.00 H new ATOM 329 N ARG A 23 4.629 8.207 -1.273 1.00 0.00 N ATOM 330 CA ARG A 23 4.774 8.067 -2.699 1.00 0.00 C ATOM 331 C ARG A 23 4.084 6.779 -3.088 1.00 0.00 C ATOM 332 O ARG A 23 3.619 6.617 -4.221 1.00 0.00 O ATOM 333 CB ARG A 23 6.243 7.996 -3.117 1.00 0.00 C ATOM 334 CG ARG A 23 6.443 7.913 -4.627 1.00 0.00 C ATOM 335 CD ARG A 23 7.852 7.499 -4.991 1.00 0.00 C ATOM 336 NE ARG A 23 8.868 8.428 -4.499 1.00 0.00 N ATOM 337 CZ ARG A 23 10.144 8.097 -4.266 1.00 0.00 C ATOM 338 NH1 ARG A 23 10.538 6.828 -4.382 1.00 0.00 N ATOM 339 NH2 ARG A 23 11.004 9.023 -3.871 1.00 0.00 N ATOM 0 H ARG A 23 5.484 8.026 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 23 4.337 8.933 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.763 8.875 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.704 7.126 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.735 7.199 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.223 8.882 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.049 6.507 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.933 7.422 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 23 8.586 9.392 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.867 6.108 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.511 6.578 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.694 9.986 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.977 8.773 -3.693 1.00 0.00 H new ATOM 353 N GLY A 24 3.965 5.869 -2.122 1.00 0.00 N ATOM 354 CA GLY A 24 3.273 4.672 -2.412 1.00 0.00 C ATOM 355 C GLY A 24 3.530 3.555 -1.454 1.00 0.00 C ATOM 356 O GLY A 24 4.419 3.631 -0.537 1.00 0.00 O ATOM 0 H GLY A 24 4.333 5.955 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.203 4.881 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.547 4.343 -3.414 1.00 0.00 H new ATOM 360 N GLY A 25 2.739 2.536 -1.648 1.00 0.00 N ATOM 361 CA GLY A 25 2.725 1.400 -0.822 1.00 0.00 C ATOM 362 C GLY A 25 2.576 0.166 -1.641 1.00 0.00 C ATOM 363 O GLY A 25 2.025 0.219 -2.740 1.00 0.00 O ATOM 0 H GLY A 25 2.070 2.490 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.648 1.351 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.905 1.472 -0.108 1.00 0.00 H new ATOM 367 N TRP A 26 3.059 -0.925 -1.134 1.00 0.00 N ATOM 368 CA TRP A 26 3.067 -2.166 -1.855 1.00 0.00 C ATOM 369 C TRP A 26 3.040 -3.313 -0.880 1.00 0.00 C ATOM 370 O TRP A 26 3.461 -3.169 0.282 1.00 0.00 O ATOM 371 CB TRP A 26 4.355 -2.281 -2.722 1.00 0.00 C ATOM 372 CG TRP A 26 5.640 -2.450 -1.925 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.398 -3.579 -1.826 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.285 -1.473 -1.092 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.480 -3.350 -1.006 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.424 -2.073 -0.541 1.00 0.00 C ATOM 377 CE3 TRP A 26 6.009 -0.155 -0.769 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.276 -1.394 0.314 1.00 0.00 C ATOM 379 CZ3 TRP A 26 6.846 0.518 0.079 1.00 0.00 C ATOM 380 CH2 TRP A 26 7.968 -0.100 0.612 1.00 0.00 C ATOM 0 H TRP A 26 3.463 -0.983 -0.199 1.00 0.00 H new ATOM 0 HA TRP A 26 2.190 -2.198 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.248 -3.129 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.441 -1.388 -3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.181 -4.515 -2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.207 -4.029 -0.783 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.141 0.337 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.151 -1.872 0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.630 1.544 0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.611 0.456 1.278 1.00 0.00 H new ATOM 391 N CYS A 27 2.539 -4.415 -1.329 1.00 0.00 N ATOM 392 CA CYS A 27 2.587 -5.626 -0.573 1.00 0.00 C ATOM 393 C CYS A 27 3.894 -6.319 -0.856 1.00 0.00 C ATOM 394 O CYS A 27 4.213 -6.593 -2.025 1.00 0.00 O ATOM 395 CB CYS A 27 1.444 -6.526 -0.973 1.00 0.00 C ATOM 396 SG CYS A 27 -0.172 -5.788 -0.690 1.00 0.00 S ATOM 0 H CYS A 27 2.081 -4.504 -2.236 1.00 0.00 H new ATOM 0 HA CYS A 27 2.504 -5.400 0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.541 -6.778 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.513 -7.460 -0.415 1.00 0.00 H new ATOM 401 N ASP A 28 4.665 -6.565 0.170 1.00 0.00 N ATOM 402 CA ASP A 28 5.927 -7.260 -0.003 1.00 0.00 C ATOM 403 C ASP A 28 5.687 -8.772 0.042 1.00 0.00 C ATOM 404 O ASP A 28 4.527 -9.219 0.100 1.00 0.00 O ATOM 405 CB ASP A 28 6.975 -6.830 1.050 1.00 0.00 C ATOM 406 CG ASP A 28 6.706 -7.331 2.452 1.00 0.00 C ATOM 407 OD1 ASP A 28 7.122 -8.447 2.777 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.131 -6.602 3.261 1.00 0.00 O ATOM 0 H ASP A 28 4.449 -6.299 1.131 1.00 0.00 H new ATOM 0 HA ASP A 28 6.336 -6.990 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.955 -7.186 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.023 -5.741 1.071 1.00 0.00 H new ATOM 413 N SER A 29 6.758 -9.546 0.047 1.00 0.00 N ATOM 414 CA SER A 29 6.702 -11.001 0.021 1.00 0.00 C ATOM 415 C SER A 29 5.935 -11.605 1.225 1.00 0.00 C ATOM 416 O SER A 29 5.367 -12.701 1.133 1.00 0.00 O ATOM 417 CB SER A 29 8.134 -11.539 -0.076 1.00 0.00 C ATOM 418 OG SER A 29 8.994 -10.835 0.819 1.00 0.00 O ATOM 0 H SER A 29 7.709 -9.177 0.070 1.00 0.00 H new ATOM 0 HA SER A 29 6.130 -11.310 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.146 -12.603 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.499 -11.435 -1.098 1.00 0.00 H new ATOM 0 HG SER A 29 9.904 -11.191 0.746 1.00 0.00 H new ATOM 424 N ARG A 30 5.874 -10.867 2.320 1.00 0.00 N ATOM 425 CA ARG A 30 5.193 -11.316 3.530 1.00 0.00 C ATOM 426 C ARG A 30 3.711 -10.931 3.500 1.00 0.00 C ATOM 427 O ARG A 30 3.010 -11.103 4.496 1.00 0.00 O ATOM 428 CB ARG A 30 5.827 -10.661 4.739 1.00 0.00 C ATOM 429 CG ARG A 30 7.311 -10.906 4.893 1.00 0.00 C ATOM 430 CD ARG A 30 7.885 -9.916 5.876 1.00 0.00 C ATOM 431 NE ARG A 30 7.607 -8.544 5.438 1.00 0.00 N ATOM 432 CZ ARG A 30 7.697 -7.447 6.183 1.00 0.00 C ATOM 433 NH1 ARG A 30 8.249 -7.496 7.393 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.260 -6.293 5.690 1.00 0.00 N ATOM 0 H ARG A 30 6.293 -9.941 2.399 1.00 0.00 H new ATOM 0 HA ARG A 30 5.283 -12.401 3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.655 -9.586 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.320 -11.019 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.488 -11.924 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.809 -10.807 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.456 -10.084 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.961 -10.065 5.966 1.00 0.00 H new ATOM 0 HE ARG A 30 7.317 -8.420 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.607 -8.380 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.314 -6.650 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.862 -6.257 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.323 -5.443 6.250 1.00 0.00 H new ATOM 448 N LYS A 31 3.257 -10.372 2.364 1.00 0.00 N ATOM 449 CA LYS A 31 1.852 -9.934 2.158 1.00 0.00 C ATOM 450 C LYS A 31 1.517 -8.744 3.059 1.00 0.00 C ATOM 451 O LYS A 31 0.352 -8.499 3.399 1.00 0.00 O ATOM 452 CB LYS A 31 0.841 -11.084 2.399 1.00 0.00 C ATOM 453 CG LYS A 31 1.026 -12.314 1.517 1.00 0.00 C ATOM 454 CD LYS A 31 0.890 -11.989 0.043 1.00 0.00 C ATOM 455 CE LYS A 31 0.972 -13.249 -0.807 1.00 0.00 C ATOM 456 NZ LYS A 31 -0.128 -14.200 -0.513 1.00 0.00 N ATOM 0 H LYS A 31 3.854 -10.207 1.553 1.00 0.00 H new ATOM 0 HA LYS A 31 1.764 -9.629 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.910 -11.392 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.167 -10.697 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.009 -12.747 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.289 -13.069 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.061 -11.488 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.677 -11.295 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.941 -12.976 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.930 -13.740 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.207 -14.890 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.074 -14.700 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.023 -13.678 -0.422 1.00 0.00 H new ATOM 470 N VAL A 32 2.528 -7.999 3.412 1.00 0.00 N ATOM 471 CA VAL A 32 2.366 -6.844 4.255 1.00 0.00 C ATOM 472 C VAL A 32 2.389 -5.601 3.404 1.00 0.00 C ATOM 473 O VAL A 32 3.207 -5.488 2.481 1.00 0.00 O ATOM 474 CB VAL A 32 3.492 -6.763 5.334 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.327 -5.541 6.236 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.520 -8.027 6.171 1.00 0.00 C ATOM 0 H VAL A 32 3.490 -8.175 3.123 1.00 0.00 H new ATOM 0 HA VAL A 32 1.410 -6.928 4.773 1.00 0.00 H new ATOM 0 HB VAL A 32 4.440 -6.663 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.130 -5.521 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.367 -4.635 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.366 -5.594 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.311 -7.952 6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.560 -8.153 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.709 -8.886 5.527 1.00 0.00 H new ATOM 486 N CYS A 33 1.462 -4.719 3.662 1.00 0.00 N ATOM 487 CA CYS A 33 1.439 -3.442 3.024 1.00 0.00 C ATOM 488 C CYS A 33 2.438 -2.524 3.665 1.00 0.00 C ATOM 489 O CYS A 33 2.364 -2.240 4.871 1.00 0.00 O ATOM 490 CB CYS A 33 0.076 -2.813 3.114 1.00 0.00 C ATOM 491 SG CYS A 33 -1.108 -3.317 1.850 1.00 0.00 S ATOM 0 H CYS A 33 0.701 -4.872 4.324 1.00 0.00 H new ATOM 0 HA CYS A 33 1.691 -3.594 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.346 -3.044 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.193 -1.730 3.064 1.00 0.00 H new ATOM 496 N ASN A 34 3.371 -2.089 2.898 1.00 0.00 N ATOM 497 CA ASN A 34 4.354 -1.161 3.367 1.00 0.00 C ATOM 498 C ASN A 34 4.169 0.082 2.580 1.00 0.00 C ATOM 499 O ASN A 34 3.979 0.008 1.388 1.00 0.00 O ATOM 500 CB ASN A 34 5.783 -1.670 3.114 1.00 0.00 C ATOM 501 CG ASN A 34 6.038 -3.063 3.622 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.454 -3.271 4.766 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.812 -4.024 2.774 1.00 0.00 N ATOM 0 H ASN A 34 3.481 -2.363 1.922 1.00 0.00 H new ATOM 0 HA ASN A 34 4.231 -1.013 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.982 -1.643 2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.489 -0.987 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.979 -4.993 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.468 -3.808 1.838 1.00 0.00 H new ATOM 510 N CYS A 35 4.149 1.185 3.220 1.00 0.00 N ATOM 511 CA CYS A 35 4.117 2.460 2.545 1.00 0.00 C ATOM 512 C CYS A 35 5.404 3.113 2.892 1.00 0.00 C ATOM 513 O CYS A 35 5.667 3.313 4.089 1.00 0.00 O ATOM 514 CB CYS A 35 2.971 3.325 3.059 1.00 0.00 C ATOM 515 SG CYS A 35 1.325 2.522 3.138 1.00 0.00 S ATOM 0 H CYS A 35 4.154 1.250 4.238 1.00 0.00 H new ATOM 0 HA CYS A 35 3.975 2.332 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.229 3.677 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.893 4.205 2.421 1.00 0.00 H new ATOM 520 N ARG A 36 6.214 3.463 1.893 1.00 0.00 N ATOM 521 CA ARG A 36 7.558 3.976 2.194 1.00 0.00 C ATOM 522 C ARG A 36 8.358 4.257 0.939 1.00 0.00 C ATOM 523 O ARG A 36 9.299 5.048 0.973 1.00 0.00 O ATOM 524 CB ARG A 36 8.334 2.946 3.039 1.00 0.00 C ATOM 525 CG ARG A 36 9.645 3.426 3.594 1.00 0.00 C ATOM 526 CD ARG A 36 10.293 2.322 4.388 1.00 0.00 C ATOM 527 NE ARG A 36 11.529 2.736 5.033 1.00 0.00 N ATOM 528 CZ ARG A 36 12.220 1.977 5.889 1.00 0.00 C ATOM 529 NH1 ARG A 36 11.842 0.720 6.128 1.00 0.00 N ATOM 530 NH2 ARG A 36 13.292 2.467 6.489 1.00 0.00 N ATOM 0 H ARG A 36 5.979 3.406 0.902 1.00 0.00 H new ATOM 0 HA ARG A 36 7.426 4.911 2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.701 2.631 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.519 2.064 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.302 3.738 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.485 4.298 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.594 1.969 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.499 1.480 3.728 1.00 0.00 H new ATOM 0 HE ARG A 36 11.892 3.665 4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.023 0.335 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.372 0.144 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.591 3.423 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.820 1.888 7.142 1.00 0.00 H new ATOM 544 N ARG A 37 8.011 3.631 -0.162 1.00 0.00 N ATOM 545 CA ARG A 37 8.824 3.784 -1.320 1.00 0.00 C ATOM 546 C ARG A 37 8.266 4.874 -2.243 1.00 0.00 C ATOM 547 O ARG A 37 8.553 6.047 -1.971 1.00 0.00 O ATOM 548 CB ARG A 37 9.117 2.423 -2.014 1.00 0.00 C ATOM 549 CG ARG A 37 7.985 1.756 -2.768 1.00 0.00 C ATOM 550 CD ARG A 37 8.501 0.556 -3.544 1.00 0.00 C ATOM 551 NE ARG A 37 9.508 0.956 -4.542 1.00 0.00 N ATOM 552 CZ ARG A 37 10.199 0.120 -5.330 1.00 0.00 C ATOM 553 NH1 ARG A 37 10.035 -1.196 -5.240 1.00 0.00 N ATOM 554 NH2 ARG A 37 11.062 0.613 -6.194 1.00 0.00 N ATOM 555 OXT ARG A 37 7.535 4.576 -3.214 1.00 0.00 O ATOM 0 H ARG A 37 7.194 3.030 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 37 9.807 4.141 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.941 2.573 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.467 1.727 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.211 1.440 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.525 2.469 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.937 -0.166 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.670 0.058 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 37 9.695 1.954 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.376 -1.583 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.568 -1.819 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.199 1.622 -6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.593 -0.014 -6.798 1.00 0.00 H new TER 569 ARG A 37