USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 261 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 4 ASN : amide:sc= 0.161 X(o=0.33,f=-0.14) USER MOD Set 1.2: A 7 SER OG : rot 152:sc= 0.165 USER MOD Single : A 1 ASP N :NH3+ 176:sc= 0.0566 (180deg=0.0547) USER MOD Single : A 2 HIS : no HD1:sc= -0.125 K(o=-0.12,f=-0.66) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -33:sc= 0.0884 USER MOD Single : A 15 SER OG : rot 180:sc= -0.069 USER MOD Single : A 21 THR OG1 : rot 81:sc= -0.315 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.8 X(o=-2.8,f=-3.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 1.38 (180deg=1.36) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -3.77! (180deg=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.780 5.055 -0.744 1.00 0.00 N ATOM 2 CA ASP A 1 8.874 6.018 -1.423 1.00 0.00 C ATOM 3 C ASP A 1 7.417 5.772 -1.040 1.00 0.00 C ATOM 4 O ASP A 1 6.607 5.356 -1.870 1.00 0.00 O ATOM 5 CB ASP A 1 9.059 5.871 -2.936 1.00 0.00 C ATOM 6 CG ASP A 1 10.330 6.534 -3.433 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.217 6.818 -2.601 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.437 6.769 -4.655 1.00 0.00 O ATOM 0 H1 ASP A 1 10.755 5.203 -1.075 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.737 5.204 0.284 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.483 4.083 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 1 9.125 7.031 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.080 4.812 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.201 6.307 -3.448 1.00 0.00 H new ATOM 15 N HIS A 2 7.091 6.031 0.224 1.00 0.00 N ATOM 16 CA HIS A 2 5.732 5.839 0.721 1.00 0.00 C ATOM 17 C HIS A 2 4.741 6.707 -0.051 1.00 0.00 C ATOM 18 O HIS A 2 4.664 7.918 0.158 1.00 0.00 O ATOM 19 CB HIS A 2 5.666 6.160 2.220 1.00 0.00 C ATOM 20 CG HIS A 2 4.274 6.357 2.742 1.00 0.00 C ATOM 21 ND1 HIS A 2 3.759 7.597 3.057 1.00 0.00 N ATOM 22 CD2 HIS A 2 3.288 5.465 3.006 1.00 0.00 C ATOM 23 CE1 HIS A 2 2.519 7.460 3.493 1.00 0.00 C ATOM 24 NE2 HIS A 2 2.209 6.177 3.471 1.00 0.00 N ATOM 0 H HIS A 2 7.750 6.375 0.923 1.00 0.00 H new ATOM 0 HA HIS A 2 5.458 4.795 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.140 5.351 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.246 7.062 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.341 4.394 2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.870 8.261 3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.313 5.779 3.753 1.00 0.00 H new ATOM 33 N TYR A 3 3.984 6.074 -0.942 1.00 0.00 N ATOM 34 CA TYR A 3 2.990 6.773 -1.748 1.00 0.00 C ATOM 35 C TYR A 3 1.930 7.415 -0.859 1.00 0.00 C ATOM 36 O TYR A 3 1.926 7.221 0.356 1.00 0.00 O ATOM 37 CB TYR A 3 2.330 5.792 -2.719 1.00 0.00 C ATOM 38 CG TYR A 3 1.823 6.434 -3.990 1.00 0.00 C ATOM 39 CD1 TYR A 3 2.688 6.725 -5.035 1.00 0.00 C ATOM 40 CD2 TYR A 3 0.477 6.742 -4.145 1.00 0.00 C ATOM 41 CE1 TYR A 3 2.228 7.306 -6.200 1.00 0.00 C ATOM 42 CE2 TYR A 3 0.009 7.324 -5.306 1.00 0.00 C ATOM 43 CZ TYR A 3 0.888 7.604 -6.332 1.00 0.00 C ATOM 44 OH TYR A 3 0.426 8.182 -7.492 1.00 0.00 O ATOM 0 H TYR A 3 4.041 5.072 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 3 3.490 7.560 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.048 5.014 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.498 5.302 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.738 6.493 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.214 6.523 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.914 7.526 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.040 7.559 -5.411 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.541 8.326 -7.423 1.00 0.00 H new ATOM 54 N ASN A 4 1.031 8.175 -1.472 1.00 0.00 N ATOM 55 CA ASN A 4 -0.037 8.835 -0.734 1.00 0.00 C ATOM 56 C ASN A 4 -1.157 7.849 -0.432 1.00 0.00 C ATOM 57 O ASN A 4 -2.186 7.824 -1.108 1.00 0.00 O ATOM 58 CB ASN A 4 -0.577 10.028 -1.524 1.00 0.00 C ATOM 59 CG ASN A 4 -0.213 11.355 -0.886 1.00 0.00 C ATOM 60 OD1 ASN A 4 -1.087 12.155 -0.549 1.00 0.00 O ATOM 61 ND2 ASN A 4 1.082 11.596 -0.717 1.00 0.00 N ATOM 0 H ASN A 4 1.021 8.349 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 4 0.369 9.202 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.183 9.996 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.662 9.949 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.387 12.472 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.772 10.905 -1.011 1.00 0.00 H new ATOM 68 N CYS A 5 -0.936 7.037 0.592 1.00 0.00 N ATOM 69 CA CYS A 5 -1.908 6.032 1.006 1.00 0.00 C ATOM 70 C CYS A 5 -2.548 6.417 2.333 1.00 0.00 C ATOM 71 O CYS A 5 -3.749 6.680 2.404 1.00 0.00 O ATOM 72 CB CYS A 5 -1.229 4.670 1.144 1.00 0.00 C ATOM 73 SG CYS A 5 0.587 4.735 1.017 1.00 0.00 S ATOM 0 H CYS A 5 -0.086 7.054 1.156 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.685 5.975 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.501 4.235 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.614 4.003 0.372 1.00 0.00 H new ATOM 78 N VAL A 6 -1.729 6.448 3.380 1.00 0.00 N ATOM 79 CA VAL A 6 -2.193 6.800 4.715 1.00 0.00 C ATOM 80 C VAL A 6 -2.916 8.145 4.710 1.00 0.00 C ATOM 81 O VAL A 6 -3.654 8.467 5.642 1.00 0.00 O ATOM 82 CB VAL A 6 -1.020 6.836 5.720 1.00 0.00 C ATOM 83 CG1 VAL A 6 -0.463 8.244 5.878 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.459 6.273 7.063 1.00 0.00 C ATOM 0 H VAL A 6 -0.734 6.232 3.327 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.897 6.029 5.029 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.219 6.212 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.360 8.232 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.102 8.603 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.248 8.907 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.623 6.304 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.283 6.869 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.787 5.241 6.935 1.00 0.00 H new ATOM 94 N SER A 7 -2.693 8.922 3.651 1.00 0.00 N ATOM 95 CA SER A 7 -3.316 10.235 3.505 1.00 0.00 C ATOM 96 C SER A 7 -4.803 10.181 3.846 1.00 0.00 C ATOM 97 O SER A 7 -5.353 11.122 4.418 1.00 0.00 O ATOM 98 CB SER A 7 -3.127 10.750 2.077 1.00 0.00 C ATOM 99 OG SER A 7 -2.796 12.128 2.071 1.00 0.00 O ATOM 0 H SER A 7 -2.081 8.662 2.877 1.00 0.00 H new ATOM 0 HA SER A 7 -2.831 10.918 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.339 10.181 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.041 10.590 1.505 1.00 0.00 H new ATOM 0 HG SER A 7 -2.266 12.334 1.273 1.00 0.00 H new ATOM 105 N SER A 8 -5.445 9.071 3.494 1.00 0.00 N ATOM 106 CA SER A 8 -6.867 8.889 3.764 1.00 0.00 C ATOM 107 C SER A 8 -7.089 7.750 4.755 1.00 0.00 C ATOM 108 O SER A 8 -8.180 7.596 5.305 1.00 0.00 O ATOM 109 CB SER A 8 -7.621 8.606 2.464 1.00 0.00 C ATOM 110 OG SER A 8 -8.846 9.318 2.418 1.00 0.00 O ATOM 0 H SER A 8 -5.002 8.283 3.021 1.00 0.00 H new ATOM 0 HA SER A 8 -7.251 9.809 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.001 8.887 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.815 7.537 2.378 1.00 0.00 H new ATOM 0 HG SER A 8 -9.308 9.121 1.576 1.00 0.00 H new ATOM 116 N GLY A 9 -6.047 6.955 4.978 1.00 0.00 N ATOM 117 CA GLY A 9 -6.146 5.840 5.901 1.00 0.00 C ATOM 118 C GLY A 9 -5.783 4.517 5.254 1.00 0.00 C ATOM 119 O GLY A 9 -6.442 3.504 5.486 1.00 0.00 O ATOM 0 H GLY A 9 -5.135 7.064 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.488 6.017 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.163 5.784 6.290 1.00 0.00 H new ATOM 123 N GLY A 10 -4.732 4.529 4.440 1.00 0.00 N ATOM 124 CA GLY A 10 -4.298 3.317 3.769 1.00 0.00 C ATOM 125 C GLY A 10 -3.245 2.565 4.558 1.00 0.00 C ATOM 126 O GLY A 10 -2.779 3.041 5.594 1.00 0.00 O ATOM 0 H GLY A 10 -4.173 5.357 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.158 2.668 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.899 3.572 2.787 1.00 0.00 H new ATOM 130 N GLN A 11 -2.867 1.388 4.067 1.00 0.00 N ATOM 131 CA GLN A 11 -1.860 0.569 4.733 1.00 0.00 C ATOM 132 C GLN A 11 -1.044 -0.223 3.716 1.00 0.00 C ATOM 133 O GLN A 11 -1.537 -0.563 2.641 1.00 0.00 O ATOM 134 CB GLN A 11 -2.521 -0.384 5.731 1.00 0.00 C ATOM 135 CG GLN A 11 -1.930 -0.304 7.129 1.00 0.00 C ATOM 136 CD GLN A 11 -2.623 -1.229 8.111 1.00 0.00 C ATOM 137 OE1 GLN A 11 -3.188 -0.782 9.110 1.00 0.00 O ATOM 138 NE2 GLN A 11 -2.584 -2.526 7.830 1.00 0.00 N ATOM 0 H GLN A 11 -3.243 0.981 3.211 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.187 1.235 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.587 -0.161 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.426 -1.406 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.870 -0.555 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.000 0.722 7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.104 -2.852 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.034 -3.197 8.453 1.00 0.00 H new ATOM 147 N CYS A 12 0.207 -0.509 4.064 1.00 0.00 N ATOM 148 CA CYS A 12 1.096 -1.255 3.181 1.00 0.00 C ATOM 149 C CYS A 12 1.056 -2.749 3.489 1.00 0.00 C ATOM 150 O CYS A 12 1.027 -3.153 4.652 1.00 0.00 O ATOM 151 CB CYS A 12 2.528 -0.735 3.314 1.00 0.00 C ATOM 152 SG CYS A 12 2.639 1.032 3.747 1.00 0.00 S ATOM 0 H CYS A 12 0.628 -0.235 4.952 1.00 0.00 H new ATOM 0 HA CYS A 12 0.752 -1.109 2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.046 -1.318 4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.053 -0.901 2.373 1.00 0.00 H new ATOM 157 N LEU A 13 1.062 -3.563 2.437 1.00 0.00 N ATOM 158 CA LEU A 13 1.034 -5.014 2.586 1.00 0.00 C ATOM 159 C LEU A 13 2.189 -5.651 1.820 1.00 0.00 C ATOM 160 O LEU A 13 2.546 -5.200 0.733 1.00 0.00 O ATOM 161 CB LEU A 13 -0.299 -5.579 2.084 1.00 0.00 C ATOM 162 CG LEU A 13 -1.457 -5.530 3.087 1.00 0.00 C ATOM 163 CD1 LEU A 13 -1.039 -6.110 4.431 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.960 -4.104 3.252 1.00 0.00 C ATOM 0 H LEU A 13 1.086 -3.241 1.470 1.00 0.00 H new ATOM 0 HA LEU A 13 1.140 -5.251 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.593 -5.029 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.144 -6.616 1.785 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.271 -6.140 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.879 -6.063 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.734 -7.148 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.205 -5.534 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.782 -4.089 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.150 -3.472 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.309 -3.728 2.290 1.00 0.00 H new ATOM 176 N TYR A 14 2.771 -6.700 2.393 1.00 0.00 N ATOM 177 CA TYR A 14 3.890 -7.393 1.762 1.00 0.00 C ATOM 178 C TYR A 14 3.418 -8.254 0.593 1.00 0.00 C ATOM 179 O TYR A 14 4.225 -8.886 -0.088 1.00 0.00 O ATOM 180 CB TYR A 14 4.624 -8.260 2.787 1.00 0.00 C ATOM 181 CG TYR A 14 5.902 -7.635 3.300 1.00 0.00 C ATOM 182 CD1 TYR A 14 5.874 -6.460 4.041 1.00 0.00 C ATOM 183 CD2 TYR A 14 7.136 -8.219 3.043 1.00 0.00 C ATOM 184 CE1 TYR A 14 7.039 -5.884 4.510 1.00 0.00 C ATOM 185 CE2 TYR A 14 8.306 -7.649 3.510 1.00 0.00 C ATOM 186 CZ TYR A 14 8.252 -6.483 4.242 1.00 0.00 C ATOM 187 OH TYR A 14 9.414 -5.912 4.708 1.00 0.00 O ATOM 0 H TYR A 14 2.487 -7.089 3.292 1.00 0.00 H new ATOM 0 HA TYR A 14 4.575 -6.639 1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.960 -8.454 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.856 -9.225 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.926 -5.989 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.182 -9.133 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.000 -4.970 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.258 -8.116 3.302 1.00 0.00 H new ATOM 0 HH TYR A 14 9.318 -4.937 4.717 1.00 0.00 H new ATOM 197 N SER A 15 2.109 -8.272 0.364 1.00 0.00 N ATOM 198 CA SER A 15 1.534 -9.054 -0.726 1.00 0.00 C ATOM 199 C SER A 15 0.262 -8.397 -1.252 1.00 0.00 C ATOM 200 O SER A 15 -0.139 -7.336 -0.773 1.00 0.00 O ATOM 201 CB SER A 15 1.230 -10.478 -0.257 1.00 0.00 C ATOM 202 OG SER A 15 1.862 -10.754 0.981 1.00 0.00 O ATOM 0 H SER A 15 1.426 -7.755 0.918 1.00 0.00 H new ATOM 0 HA SER A 15 2.263 -9.095 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.153 -10.608 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.568 -11.192 -1.008 1.00 0.00 H new ATOM 0 HG SER A 15 1.651 -11.670 1.259 1.00 0.00 H new ATOM 208 N ALA A 16 -0.364 -9.035 -2.240 1.00 0.00 N ATOM 209 CA ALA A 16 -1.592 -8.519 -2.837 1.00 0.00 C ATOM 210 C ALA A 16 -2.569 -8.046 -1.767 1.00 0.00 C ATOM 211 O ALA A 16 -2.747 -8.704 -0.741 1.00 0.00 O ATOM 212 CB ALA A 16 -2.236 -9.584 -3.712 1.00 0.00 C ATOM 0 H ALA A 16 -0.038 -9.913 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.334 -7.660 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.151 -9.188 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.545 -9.869 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.473 -10.458 -3.106 1.00 0.00 H new ATOM 218 N CYS A 17 -3.188 -6.895 -2.013 1.00 0.00 N ATOM 219 CA CYS A 17 -4.144 -6.312 -1.076 1.00 0.00 C ATOM 220 C CYS A 17 -5.129 -7.357 -0.550 1.00 0.00 C ATOM 221 O CYS A 17 -5.568 -8.236 -1.292 1.00 0.00 O ATOM 222 CB CYS A 17 -4.905 -5.169 -1.745 1.00 0.00 C ATOM 223 SG CYS A 17 -5.242 -3.764 -0.639 1.00 0.00 S ATOM 0 H CYS A 17 -3.043 -6.344 -2.859 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.581 -5.926 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.331 -4.815 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.850 -5.551 -2.130 1.00 0.00 H new ATOM 228 N PRO A 18 -5.491 -7.271 0.746 1.00 0.00 N ATOM 229 CA PRO A 18 -6.425 -8.210 1.368 1.00 0.00 C ATOM 230 C PRO A 18 -7.884 -7.893 1.040 1.00 0.00 C ATOM 231 O PRO A 18 -8.459 -8.477 0.120 1.00 0.00 O ATOM 232 CB PRO A 18 -6.150 -8.033 2.861 1.00 0.00 C ATOM 233 CG PRO A 18 -5.663 -6.629 3.004 1.00 0.00 C ATOM 234 CD PRO A 18 -5.012 -6.253 1.702 1.00 0.00 C ATOM 0 HA PRO A 18 -6.281 -9.230 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.052 -8.199 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.404 -8.746 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.490 -5.956 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.953 -6.549 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.298 -5.249 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.925 -6.264 1.783 1.00 0.00 H new ATOM 242 N ILE A 19 -8.480 -6.973 1.800 1.00 0.00 N ATOM 243 CA ILE A 19 -9.872 -6.583 1.594 1.00 0.00 C ATOM 244 C ILE A 19 -10.116 -6.099 0.160 1.00 0.00 C ATOM 245 O ILE A 19 -9.220 -6.149 -0.683 1.00 0.00 O ATOM 246 CB ILE A 19 -10.299 -5.499 2.607 1.00 0.00 C ATOM 247 CG1 ILE A 19 -11.801 -5.587 2.886 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.922 -4.106 2.121 1.00 0.00 C ATOM 249 CD1 ILE A 19 -12.194 -5.084 4.258 1.00 0.00 C ATOM 0 H ILE A 19 -8.017 -6.484 2.566 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.484 -7.470 1.757 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.762 -5.681 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.336 -5.012 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.121 -6.624 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.237 -3.366 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.842 -4.047 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.417 -3.906 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.273 -5.177 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.687 -5.674 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.906 -4.038 4.358 1.00 0.00 H new ATOM 261 N PHE A 20 -11.336 -5.642 -0.114 1.00 0.00 N ATOM 262 CA PHE A 20 -11.697 -5.165 -1.448 1.00 0.00 C ATOM 263 C PHE A 20 -11.129 -3.773 -1.732 1.00 0.00 C ATOM 264 O PHE A 20 -11.760 -2.968 -2.416 1.00 0.00 O ATOM 265 CB PHE A 20 -13.221 -5.144 -1.609 1.00 0.00 C ATOM 266 CG PHE A 20 -13.959 -4.677 -0.384 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.688 -3.440 0.181 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.927 -5.478 0.201 1.00 0.00 C ATOM 269 CE1 PHE A 20 -14.368 -3.012 1.305 1.00 0.00 C ATOM 270 CE2 PHE A 20 -15.609 -5.055 1.325 1.00 0.00 C ATOM 271 CZ PHE A 20 -15.330 -3.820 1.878 1.00 0.00 C ATOM 0 H PHE A 20 -12.091 -5.592 0.570 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.261 -5.857 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.479 -4.495 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -13.563 -6.146 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.937 -2.804 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.151 -6.444 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.147 -2.046 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.360 -5.689 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 20 -15.863 -3.487 2.756 1.00 0.00 H new ATOM 281 N THR A 21 -9.934 -3.496 -1.216 1.00 0.00 N ATOM 282 CA THR A 21 -9.294 -2.203 -1.435 1.00 0.00 C ATOM 283 C THR A 21 -8.724 -2.121 -2.849 1.00 0.00 C ATOM 284 O THR A 21 -9.232 -2.773 -3.761 1.00 0.00 O ATOM 285 CB THR A 21 -8.174 -1.949 -0.409 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.851 -3.164 0.274 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.599 -0.895 0.602 1.00 0.00 C ATOM 0 H THR A 21 -9.392 -4.146 -0.646 1.00 0.00 H new ATOM 0 HA THR A 21 -10.056 -1.434 -1.309 1.00 0.00 H new ATOM 0 HB THR A 21 -7.296 -1.588 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.254 -3.704 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.793 -0.731 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.820 0.038 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.489 -1.236 1.130 1.00 0.00 H new ATOM 295 N LYS A 22 -7.675 -1.320 -3.040 1.00 0.00 N ATOM 296 CA LYS A 22 -7.072 -1.179 -4.362 1.00 0.00 C ATOM 297 C LYS A 22 -5.651 -0.628 -4.282 1.00 0.00 C ATOM 298 O LYS A 22 -5.446 0.550 -3.988 1.00 0.00 O ATOM 299 CB LYS A 22 -7.932 -0.267 -5.238 1.00 0.00 C ATOM 300 CG LYS A 22 -7.596 -0.351 -6.718 1.00 0.00 C ATOM 301 CD LYS A 22 -8.264 0.765 -7.503 1.00 0.00 C ATOM 302 CE LYS A 22 -9.720 0.445 -7.797 1.00 0.00 C ATOM 303 NZ LYS A 22 -9.921 0.019 -9.209 1.00 0.00 N ATOM 0 H LYS A 22 -7.232 -0.767 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.021 -2.173 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.981 -0.526 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.810 0.764 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.516 -0.295 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.916 -1.316 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.202 1.696 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.729 0.923 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.060 -0.345 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.333 1.323 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.927 -0.190 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.620 0.782 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.356 -0.833 -9.398 1.00 0.00 H new ATOM 317 N ILE A 23 -4.673 -1.488 -4.559 1.00 0.00 N ATOM 318 CA ILE A 23 -3.272 -1.091 -4.534 1.00 0.00 C ATOM 319 C ILE A 23 -2.974 -0.080 -5.638 1.00 0.00 C ATOM 320 O ILE A 23 -3.362 -0.269 -6.791 1.00 0.00 O ATOM 321 CB ILE A 23 -2.335 -2.318 -4.682 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.003 -1.927 -5.338 1.00 0.00 C ATOM 323 CG2 ILE A 23 -3.008 -3.421 -5.486 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.172 -0.966 -4.516 1.00 0.00 C ATOM 0 H ILE A 23 -4.828 -2.466 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.084 -0.626 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.127 -2.692 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.421 -2.830 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.206 -1.476 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.331 -4.271 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.920 -3.736 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.256 -3.048 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.753 -0.739 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.733 -0.046 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.064 -1.420 -3.554 1.00 0.00 H new ATOM 336 N GLN A 24 -2.273 0.990 -5.274 1.00 0.00 N ATOM 337 CA GLN A 24 -1.910 2.029 -6.230 1.00 0.00 C ATOM 338 C GLN A 24 -0.398 2.080 -6.419 1.00 0.00 C ATOM 339 O GLN A 24 0.118 1.734 -7.482 1.00 0.00 O ATOM 340 CB GLN A 24 -2.421 3.387 -5.753 1.00 0.00 C ATOM 341 CG GLN A 24 -3.620 3.896 -6.535 1.00 0.00 C ATOM 342 CD GLN A 24 -4.919 3.252 -6.095 1.00 0.00 C ATOM 343 OE1 GLN A 24 -5.737 3.875 -5.418 1.00 0.00 O ATOM 344 NE2 GLN A 24 -5.116 1.995 -6.478 1.00 0.00 N ATOM 0 H GLN A 24 -1.945 1.159 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.373 1.791 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.690 3.315 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.614 4.116 -5.827 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.696 4.977 -6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.465 3.704 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.411 1.516 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.972 1.509 -6.211 1.00 0.00 H new ATOM 353 N GLY A 25 0.304 2.508 -5.375 1.00 0.00 N ATOM 354 CA GLY A 25 1.752 2.593 -5.431 1.00 0.00 C ATOM 355 C GLY A 25 2.410 1.761 -4.349 1.00 0.00 C ATOM 356 O GLY A 25 1.752 1.354 -3.394 1.00 0.00 O ATOM 0 H GLY A 25 -0.106 2.799 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.098 2.256 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.059 3.634 -5.326 1.00 0.00 H new ATOM 360 N THR A 26 3.705 1.504 -4.499 1.00 0.00 N ATOM 361 CA THR A 26 4.445 0.709 -3.523 1.00 0.00 C ATOM 362 C THR A 26 4.741 1.505 -2.260 1.00 0.00 C ATOM 363 O THR A 26 4.836 2.733 -2.290 1.00 0.00 O ATOM 364 CB THR A 26 5.771 0.190 -4.111 1.00 0.00 C ATOM 365 OG1 THR A 26 6.308 1.148 -5.031 1.00 0.00 O ATOM 366 CG2 THR A 26 5.564 -1.140 -4.821 1.00 0.00 C ATOM 0 H THR A 26 4.264 1.834 -5.286 1.00 0.00 H new ATOM 0 HA THR A 26 3.809 -0.138 -3.268 1.00 0.00 H new ATOM 0 HB THR A 26 6.473 0.041 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.152 0.811 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.514 -1.487 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.183 -1.875 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.847 -1.012 -5.632 1.00 0.00 H new ATOM 374 N CYS A 27 4.884 0.790 -1.150 1.00 0.00 N ATOM 375 CA CYS A 27 5.168 1.412 0.138 1.00 0.00 C ATOM 376 C CYS A 27 6.647 1.295 0.484 1.00 0.00 C ATOM 377 O CYS A 27 7.410 2.249 0.331 1.00 0.00 O ATOM 378 CB CYS A 27 4.329 0.758 1.236 1.00 0.00 C ATOM 379 SG CYS A 27 4.331 1.664 2.817 1.00 0.00 S ATOM 0 H CYS A 27 4.807 -0.227 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 27 4.910 2.469 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.301 0.664 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.700 -0.252 1.408 1.00 0.00 H new ATOM 384 N TYR A 28 7.042 0.116 0.954 1.00 0.00 N ATOM 385 CA TYR A 28 8.429 -0.143 1.326 1.00 0.00 C ATOM 386 C TYR A 28 9.359 0.040 0.130 1.00 0.00 C ATOM 387 O TYR A 28 8.928 0.456 -0.946 1.00 0.00 O ATOM 388 CB TYR A 28 8.570 -1.563 1.884 1.00 0.00 C ATOM 389 CG TYR A 28 8.108 -1.709 3.319 1.00 0.00 C ATOM 390 CD1 TYR A 28 6.906 -1.158 3.746 1.00 0.00 C ATOM 391 CD2 TYR A 28 8.876 -2.404 4.245 1.00 0.00 C ATOM 392 CE1 TYR A 28 6.483 -1.293 5.054 1.00 0.00 C ATOM 393 CE2 TYR A 28 8.460 -2.544 5.555 1.00 0.00 C ATOM 394 CZ TYR A 28 7.263 -1.987 5.955 1.00 0.00 C ATOM 395 OH TYR A 28 6.845 -2.125 7.258 1.00 0.00 O ATOM 0 H TYR A 28 6.417 -0.679 1.087 1.00 0.00 H new ATOM 0 HA TYR A 28 8.713 0.575 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.998 -2.247 1.257 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.615 -1.867 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.292 -0.615 3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.814 -2.842 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.546 -0.857 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.069 -3.087 6.263 1.00 0.00 H new ATOM 0 HH TYR A 28 7.508 -2.642 7.761 1.00 0.00 H new ATOM 405 N ARG A 29 10.636 -0.277 0.326 1.00 0.00 N ATOM 406 CA ARG A 29 11.632 -0.154 -0.735 1.00 0.00 C ATOM 407 C ARG A 29 11.155 -0.842 -2.011 1.00 0.00 C ATOM 408 O ARG A 29 11.566 -0.482 -3.115 1.00 0.00 O ATOM 409 CB ARG A 29 12.963 -0.757 -0.280 1.00 0.00 C ATOM 410 CG ARG A 29 14.112 -0.502 -1.242 1.00 0.00 C ATOM 411 CD ARG A 29 15.108 -1.650 -1.233 1.00 0.00 C ATOM 412 NE ARG A 29 15.832 -1.738 0.034 1.00 0.00 N ATOM 413 CZ ARG A 29 16.971 -1.097 0.281 1.00 0.00 C ATOM 414 NH1 ARG A 29 17.518 -0.323 -0.647 1.00 0.00 N ATOM 415 NH2 ARG A 29 17.565 -1.231 1.459 1.00 0.00 N ATOM 0 H ARG A 29 11.006 -0.622 1.212 1.00 0.00 H new ATOM 0 HA ARG A 29 11.774 0.905 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.222 -0.348 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.840 -1.832 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.721 -0.366 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.619 0.424 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.582 -2.587 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.819 -1.519 -2.049 1.00 0.00 H new ATOM 0 HE ARG A 29 15.441 -2.325 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.065 -0.217 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 18.392 0.167 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.148 -1.826 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.438 -0.740 1.649 1.00 0.00 H new ATOM 429 N GLY A 30 10.282 -1.831 -1.848 1.00 0.00 N ATOM 430 CA GLY A 30 9.755 -2.557 -2.988 1.00 0.00 C ATOM 431 C GLY A 30 9.269 -3.942 -2.609 1.00 0.00 C ATOM 432 O GLY A 30 8.956 -4.758 -3.476 1.00 0.00 O ATOM 0 H GLY A 30 9.929 -2.143 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.933 -1.993 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.528 -2.641 -3.752 1.00 0.00 H new ATOM 436 N LYS A 31 9.208 -4.206 -1.306 1.00 0.00 N ATOM 437 CA LYS A 31 8.761 -5.500 -0.804 1.00 0.00 C ATOM 438 C LYS A 31 7.297 -5.449 -0.381 1.00 0.00 C ATOM 439 O LYS A 31 6.666 -6.486 -0.175 1.00 0.00 O ATOM 440 CB LYS A 31 9.628 -5.939 0.378 1.00 0.00 C ATOM 441 CG LYS A 31 11.113 -5.983 0.059 1.00 0.00 C ATOM 442 CD LYS A 31 11.750 -7.272 0.553 1.00 0.00 C ATOM 443 CE LYS A 31 11.446 -8.436 -0.377 1.00 0.00 C ATOM 444 NZ LYS A 31 12.587 -9.389 -0.470 1.00 0.00 N ATOM 0 H LYS A 31 9.463 -3.538 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 31 8.861 -6.225 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.464 -5.256 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.306 -6.927 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.258 -5.893 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.611 -5.130 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.829 -7.139 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.384 -7.500 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.561 -8.963 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.211 -8.054 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.338 -10.167 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.425 -8.893 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.796 -9.774 0.473 1.00 0.00 H new ATOM 458 N ALA A 32 6.760 -4.239 -0.253 1.00 0.00 N ATOM 459 CA ALA A 32 5.371 -4.060 0.143 1.00 0.00 C ATOM 460 C ALA A 32 4.721 -2.957 -0.675 1.00 0.00 C ATOM 461 O ALA A 32 5.353 -1.947 -0.979 1.00 0.00 O ATOM 462 CB ALA A 32 5.280 -3.745 1.628 1.00 0.00 C ATOM 0 H ALA A 32 7.267 -3.370 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 32 4.835 -4.990 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.235 -3.614 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.709 -4.567 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.830 -2.828 1.840 1.00 0.00 H new ATOM 468 N LYS A 33 3.458 -3.155 -1.032 1.00 0.00 N ATOM 469 CA LYS A 33 2.729 -2.173 -1.818 1.00 0.00 C ATOM 470 C LYS A 33 1.692 -1.455 -0.960 1.00 0.00 C ATOM 471 O LYS A 33 1.058 -2.059 -0.096 1.00 0.00 O ATOM 472 CB LYS A 33 2.054 -2.846 -3.015 1.00 0.00 C ATOM 473 CG LYS A 33 1.733 -4.318 -2.799 1.00 0.00 C ATOM 474 CD LYS A 33 0.631 -4.511 -1.766 1.00 0.00 C ATOM 475 CE LYS A 33 -0.624 -3.729 -2.123 1.00 0.00 C ATOM 476 NZ LYS A 33 -1.579 -3.664 -0.984 1.00 0.00 N ATOM 0 H LYS A 33 2.920 -3.986 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 33 3.440 -1.433 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.131 -2.314 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.703 -2.750 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.427 -4.766 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.632 -4.842 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.388 -5.571 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.991 -4.193 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.349 -2.718 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.111 -4.195 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.496 -3.306 -1.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.704 -4.615 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.205 -3.025 -0.253 1.00 0.00 H new ATOM 490 N CYS A 34 1.537 -0.159 -1.197 1.00 0.00 N ATOM 491 CA CYS A 34 0.586 0.649 -0.439 1.00 0.00 C ATOM 492 C CYS A 34 -0.825 0.550 -1.017 1.00 0.00 C ATOM 493 O CYS A 34 -1.031 0.700 -2.223 1.00 0.00 O ATOM 494 CB CYS A 34 1.038 2.108 -0.412 1.00 0.00 C ATOM 495 SG CYS A 34 1.162 2.810 1.263 1.00 0.00 S ATOM 0 H CYS A 34 2.056 0.357 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 34 0.558 0.259 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.009 2.187 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.338 2.706 -0.995 1.00 0.00 H new ATOM 500 N CYS A 35 -1.794 0.300 -0.139 1.00 0.00 N ATOM 501 CA CYS A 35 -3.191 0.180 -0.543 1.00 0.00 C ATOM 502 C CYS A 35 -4.036 1.283 0.075 1.00 0.00 C ATOM 503 O CYS A 35 -3.679 1.855 1.105 1.00 0.00 O ATOM 504 CB CYS A 35 -3.745 -1.184 -0.136 1.00 0.00 C ATOM 505 SG CYS A 35 -4.308 -2.205 -1.534 1.00 0.00 S ATOM 0 H CYS A 35 -1.635 0.176 0.861 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.236 0.278 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.975 -1.728 0.411 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.579 -1.035 0.550 1.00 0.00 H new ATOM 510 N LYS A 36 -5.158 1.576 -0.569 1.00 0.00 N ATOM 511 CA LYS A 36 -6.066 2.615 -0.096 1.00 0.00 C ATOM 512 C LYS A 36 -7.140 2.029 0.817 1.00 0.00 C ATOM 513 O LYS A 36 -8.338 2.259 0.549 1.00 0.00 O ATOM 514 CB LYS A 36 -6.715 3.328 -1.286 1.00 0.00 C ATOM 515 CG LYS A 36 -6.031 4.634 -1.676 1.00 0.00 C ATOM 516 CD LYS A 36 -4.515 4.490 -1.750 1.00 0.00 C ATOM 517 CE LYS A 36 -4.096 3.442 -2.768 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.643 3.125 -2.669 1.00 0.00 N ATOM 519 OXT LYS A 36 -6.773 1.343 1.795 1.00 0.00 O ATOM 0 H LYS A 36 -5.463 1.108 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.488 3.337 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.710 2.657 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.759 3.534 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.410 4.966 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.286 5.407 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.071 5.450 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.127 4.218 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.678 2.533 -2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.323 3.800 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.480 2.144 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.104 3.771 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.329 3.239 -1.684 1.00 0.00 H new TER 533 LYS A 36