USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -138:sc= -1.89! (180deg=-4.32!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.268 12.303 -5.619 1.00 0.00 N ATOM 2 CA GLY A 1 -6.251 10.826 -5.805 1.00 0.00 C ATOM 3 C GLY A 1 -6.440 10.075 -4.502 1.00 0.00 C ATOM 4 O GLY A 1 -5.495 9.487 -3.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.135 12.770 -6.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.181 12.591 -5.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.500 12.581 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.039 10.542 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.304 10.531 -6.257 1.00 0.00 H new ATOM 10 N LEU A 2 -7.663 10.094 -3.980 1.00 0.00 N ATOM 11 CA LEU A 2 -7.971 9.411 -2.729 1.00 0.00 C ATOM 12 C LEU A 2 -8.432 7.981 -2.994 1.00 0.00 C ATOM 13 O LEU A 2 -9.631 7.701 -3.031 1.00 0.00 O ATOM 14 CB LEU A 2 -9.047 10.176 -1.954 1.00 0.00 C ATOM 15 CG LEU A 2 -9.388 9.603 -0.576 1.00 0.00 C ATOM 16 CD1 LEU A 2 -8.188 9.701 0.356 1.00 0.00 C ATOM 17 CD2 LEU A 2 -10.590 10.325 0.019 1.00 0.00 C ATOM 0 H LEU A 2 -8.456 10.575 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.063 9.376 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.718 11.208 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.956 10.201 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.644 8.550 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.450 9.289 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.354 9.138 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.900 10.746 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.819 9.905 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.362 11.386 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.451 10.202 -0.638 1.00 0.00 H new ATOM 29 N LEU A 3 -7.471 7.081 -3.179 1.00 0.00 N ATOM 30 CA LEU A 3 -7.776 5.679 -3.442 1.00 0.00 C ATOM 31 C LEU A 3 -6.541 4.808 -3.234 1.00 0.00 C ATOM 32 O LEU A 3 -5.476 5.084 -3.782 1.00 0.00 O ATOM 33 CB LEU A 3 -8.300 5.509 -4.871 1.00 0.00 C ATOM 34 CG LEU A 3 -8.723 4.086 -5.246 1.00 0.00 C ATOM 35 CD1 LEU A 3 -9.929 3.649 -4.428 1.00 0.00 C ATOM 36 CD2 LEU A 3 -9.024 3.998 -6.734 1.00 0.00 C ATOM 0 H LEU A 3 -6.475 7.298 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.547 5.361 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.153 6.173 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.526 5.836 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.898 3.411 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.212 2.635 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.678 3.673 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.762 4.325 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.323 2.980 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.832 4.686 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.133 4.265 -7.302 1.00 0.00 H new ATOM 48 N CYS A 4 -6.694 3.756 -2.436 1.00 0.00 N ATOM 49 CA CYS A 4 -5.593 2.841 -2.155 1.00 0.00 C ATOM 50 C CYS A 4 -5.342 1.921 -3.345 1.00 0.00 C ATOM 51 O CYS A 4 -6.232 1.699 -4.166 1.00 0.00 O ATOM 52 CB CYS A 4 -5.899 2.013 -0.905 1.00 0.00 C ATOM 53 SG CYS A 4 -6.343 3.006 0.558 1.00 0.00 S ATOM 0 H CYS A 4 -7.570 3.516 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.693 3.430 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.717 1.328 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.029 1.402 -0.665 1.00 0.00 H new ATOM 58 N TYR A 5 -4.128 1.386 -3.430 1.00 0.00 N ATOM 59 CA TYR A 5 -3.763 0.493 -4.526 1.00 0.00 C ATOM 60 C TYR A 5 -3.046 -0.751 -4.011 1.00 0.00 C ATOM 61 O TYR A 5 -2.702 -0.843 -2.833 1.00 0.00 O ATOM 62 CB TYR A 5 -2.865 1.221 -5.528 1.00 0.00 C ATOM 63 CG TYR A 5 -3.506 2.441 -6.152 1.00 0.00 C ATOM 64 CD1 TYR A 5 -4.469 2.312 -7.146 1.00 0.00 C ATOM 65 CD2 TYR A 5 -3.144 3.720 -5.751 1.00 0.00 C ATOM 66 CE1 TYR A 5 -5.053 3.425 -7.721 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.724 4.838 -6.320 1.00 0.00 C ATOM 68 CZ TYR A 5 -4.677 4.685 -7.305 1.00 0.00 C ATOM 69 OH TYR A 5 -5.256 5.797 -7.875 1.00 0.00 O ATOM 0 H TYR A 5 -3.382 1.554 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.684 0.183 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.946 1.523 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.582 0.526 -6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.766 1.327 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.396 3.843 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.800 3.309 -8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.433 5.826 -5.995 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.881 6.606 -7.468 1.00 0.00 H new ATOM 79 N CYS A 6 -2.828 -1.702 -4.912 1.00 0.00 N ATOM 80 CA CYS A 6 -2.149 -2.949 -4.577 1.00 0.00 C ATOM 81 C CYS A 6 -0.734 -2.955 -5.143 1.00 0.00 C ATOM 82 O CYS A 6 -0.535 -2.716 -6.334 1.00 0.00 O ATOM 83 CB CYS A 6 -2.938 -4.136 -5.134 1.00 0.00 C ATOM 84 SG CYS A 6 -1.990 -5.689 -5.229 1.00 0.00 S ATOM 0 H CYS A 6 -3.114 -1.632 -5.888 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.090 -3.034 -3.492 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.817 -4.298 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.298 -3.882 -6.131 1.00 0.00 H new ATOM 89 N ARG A 7 0.247 -3.230 -4.288 1.00 0.00 N ATOM 90 CA ARG A 7 1.640 -3.261 -4.723 1.00 0.00 C ATOM 91 C ARG A 7 2.335 -4.532 -4.250 1.00 0.00 C ATOM 92 O ARG A 7 1.785 -5.299 -3.460 1.00 0.00 O ATOM 93 CB ARG A 7 2.388 -2.027 -4.216 1.00 0.00 C ATOM 94 CG ARG A 7 1.810 -0.720 -4.736 1.00 0.00 C ATOM 95 CD ARG A 7 2.727 0.457 -4.447 1.00 0.00 C ATOM 96 NE ARG A 7 2.195 1.705 -4.984 1.00 0.00 N ATOM 97 CZ ARG A 7 2.676 2.309 -6.066 1.00 0.00 C ATOM 98 NH1 ARG A 7 3.697 1.779 -6.727 1.00 0.00 N ATOM 99 NH2 ARG A 7 2.136 3.442 -6.491 1.00 0.00 N ATOM 0 H ARG A 7 0.105 -3.433 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 7 1.651 -3.254 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.365 -2.019 -3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.435 -2.097 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.646 -0.797 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.837 -0.544 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.864 0.554 -3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.710 0.266 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 7 1.408 2.139 -4.501 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.115 0.906 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.064 2.245 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.350 3.852 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.507 3.904 -7.322 1.00 0.00 H new ATOM 113 N LYS A 8 3.550 -4.750 -4.745 1.00 0.00 N ATOM 114 CA LYS A 8 4.323 -5.931 -4.388 1.00 0.00 C ATOM 115 C LYS A 8 5.563 -5.557 -3.578 1.00 0.00 C ATOM 116 O LYS A 8 6.503 -4.962 -4.104 1.00 0.00 O ATOM 117 CB LYS A 8 4.736 -6.690 -5.651 1.00 0.00 C ATOM 118 CG LYS A 8 5.629 -7.891 -5.382 1.00 0.00 C ATOM 119 CD LYS A 8 6.051 -8.569 -6.674 1.00 0.00 C ATOM 120 CE LYS A 8 7.022 -9.710 -6.413 1.00 0.00 C ATOM 121 NZ LYS A 8 7.446 -10.378 -7.675 1.00 0.00 N ATOM 0 H LYS A 8 4.020 -4.121 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 8 3.693 -6.571 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.839 -7.026 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.256 -6.005 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.514 -7.572 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.100 -8.605 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.170 -8.950 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.516 -7.838 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.900 -9.328 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.554 -10.442 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.107 -11.150 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.612 -10.765 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.916 -9.686 -8.293 1.00 0.00 H new ATOM 135 N GLY A 9 5.553 -5.909 -2.296 1.00 0.00 N ATOM 136 CA GLY A 9 6.685 -5.617 -1.434 1.00 0.00 C ATOM 137 C GLY A 9 6.619 -4.240 -0.802 1.00 0.00 C ATOM 138 O GLY A 9 5.826 -4.005 0.110 1.00 0.00 O ATOM 0 H GLY A 9 4.780 -6.392 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.736 -6.369 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.605 -5.699 -2.013 1.00 0.00 H new ATOM 142 N HIS A 10 7.456 -3.331 -1.291 1.00 0.00 N ATOM 143 CA HIS A 10 7.507 -1.971 -0.764 1.00 0.00 C ATOM 144 C HIS A 10 6.566 -1.041 -1.520 1.00 0.00 C ATOM 145 O HIS A 10 5.993 -1.411 -2.545 1.00 0.00 O ATOM 146 CB HIS A 10 8.936 -1.430 -0.836 1.00 0.00 C ATOM 147 CG HIS A 10 9.675 -1.513 0.463 1.00 0.00 C ATOM 148 ND1 HIS A 10 10.129 -2.700 0.998 1.00 0.00 N ATOM 149 CD2 HIS A 10 10.039 -0.545 1.338 1.00 0.00 C ATOM 150 CE1 HIS A 10 10.739 -2.460 2.145 1.00 0.00 C ATOM 151 NE2 HIS A 10 10.699 -1.160 2.373 1.00 0.00 N ATOM 0 H HIS A 10 8.110 -3.512 -2.053 1.00 0.00 H new ATOM 0 HA HIS A 10 7.183 -2.008 0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.488 -1.985 -1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.906 -0.390 -1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.846 0.513 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.193 -3.201 2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.095 -0.689 3.187 1.00 0.00 H new ATOM 160 N CYS A 11 6.419 0.172 -0.997 1.00 0.00 N ATOM 161 CA CYS A 11 5.558 1.178 -1.604 1.00 0.00 C ATOM 162 C CYS A 11 6.224 2.549 -1.545 1.00 0.00 C ATOM 163 O CYS A 11 7.399 2.659 -1.197 1.00 0.00 O ATOM 164 CB CYS A 11 4.209 1.214 -0.883 1.00 0.00 C ATOM 165 SG CYS A 11 3.237 -0.318 -1.052 1.00 0.00 S ATOM 0 H CYS A 11 6.890 0.483 -0.147 1.00 0.00 H new ATOM 0 HA CYS A 11 5.393 0.917 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.380 1.409 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.624 2.048 -1.270 1.00 0.00 H new ATOM 170 N LYS A 12 5.472 3.591 -1.884 1.00 0.00 N ATOM 171 CA LYS A 12 6.011 4.947 -1.864 1.00 0.00 C ATOM 172 C LYS A 12 5.503 5.724 -0.664 1.00 0.00 C ATOM 173 O LYS A 12 6.185 6.618 -0.165 1.00 0.00 O ATOM 174 CB LYS A 12 5.661 5.690 -3.155 1.00 0.00 C ATOM 175 CG LYS A 12 4.175 5.966 -3.323 1.00 0.00 C ATOM 176 CD LYS A 12 3.891 6.780 -4.579 1.00 0.00 C ATOM 177 CE LYS A 12 4.044 5.947 -5.845 1.00 0.00 C ATOM 178 NZ LYS A 12 5.471 5.664 -6.167 1.00 0.00 N ATOM 0 H LYS A 12 4.496 3.525 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 12 7.095 4.867 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.201 6.637 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.010 5.105 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.633 5.022 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.804 6.503 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.879 7.182 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.570 7.631 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.507 5.006 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.583 6.473 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.624 5.773 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.082 6.330 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.704 4.691 -5.884 1.00 0.00 H new ATOM 192 N ARG A 13 4.313 5.373 -0.194 1.00 0.00 N ATOM 193 CA ARG A 13 3.720 6.062 0.941 1.00 0.00 C ATOM 194 C ARG A 13 2.547 5.280 1.522 1.00 0.00 C ATOM 195 O ARG A 13 1.731 4.723 0.787 1.00 0.00 O ATOM 196 CB ARG A 13 3.252 7.448 0.503 1.00 0.00 C ATOM 197 CG ARG A 13 4.205 8.573 0.869 1.00 0.00 C ATOM 198 CD ARG A 13 3.830 9.862 0.158 1.00 0.00 C ATOM 199 NE ARG A 13 4.807 10.923 0.389 1.00 0.00 N ATOM 200 CZ ARG A 13 4.658 12.170 -0.049 1.00 0.00 C ATOM 201 NH1 ARG A 13 3.570 12.514 -0.726 1.00 0.00 N ATOM 202 NH2 ARG A 13 5.595 13.076 0.193 1.00 0.00 N ATOM 0 H ARG A 13 3.744 4.620 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 13 4.478 6.152 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.109 7.446 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.280 7.650 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.189 8.731 1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.224 8.291 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.747 9.674 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.849 10.192 0.501 1.00 0.00 H new ATOM 0 HE ARG A 13 5.650 10.695 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.845 11.821 -0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.459 13.471 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.432 12.817 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.479 14.032 -0.144 1.00 0.00 H new ATOM 216 N GLY A 14 2.470 5.245 2.850 1.00 0.00 N ATOM 217 CA GLY A 14 1.390 4.544 3.521 1.00 0.00 C ATOM 218 C GLY A 14 1.394 3.049 3.258 1.00 0.00 C ATOM 219 O GLY A 14 0.650 2.562 2.409 1.00 0.00 O ATOM 0 H GLY A 14 3.140 5.692 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.464 4.718 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.437 4.961 3.196 1.00 0.00 H new ATOM 223 N GLU A 15 2.235 2.324 3.991 1.00 0.00 N ATOM 224 CA GLU A 15 2.331 0.874 3.845 1.00 0.00 C ATOM 225 C GLU A 15 1.601 0.162 4.982 1.00 0.00 C ATOM 226 O GLU A 15 2.011 0.245 6.140 1.00 0.00 O ATOM 227 CB GLU A 15 3.797 0.442 3.821 1.00 0.00 C ATOM 228 CG GLU A 15 4.497 0.734 2.509 1.00 0.00 C ATOM 229 CD GLU A 15 6.007 0.646 2.619 1.00 0.00 C ATOM 230 OE1 GLU A 15 6.630 1.644 3.036 1.00 0.00 O ATOM 231 OE2 GLU A 15 6.566 -0.421 2.288 1.00 0.00 O ATOM 0 H GLU A 15 2.861 2.718 4.693 1.00 0.00 H new ATOM 0 HA GLU A 15 1.859 0.597 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.329 0.948 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.855 -0.628 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.150 0.030 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.219 1.731 2.168 1.00 0.00 H new ATOM 238 N ARG A 16 0.520 -0.539 4.646 1.00 0.00 N ATOM 239 CA ARG A 16 -0.260 -1.262 5.647 1.00 0.00 C ATOM 240 C ARG A 16 -0.751 -2.604 5.106 1.00 0.00 C ATOM 241 O ARG A 16 -0.652 -2.883 3.909 1.00 0.00 O ATOM 242 CB ARG A 16 -1.451 -0.418 6.110 1.00 0.00 C ATOM 243 CG ARG A 16 -1.051 0.920 6.712 1.00 0.00 C ATOM 244 CD ARG A 16 -2.226 1.602 7.392 1.00 0.00 C ATOM 245 NE ARG A 16 -2.685 0.862 8.565 1.00 0.00 N ATOM 246 CZ ARG A 16 -3.602 1.320 9.413 1.00 0.00 C ATOM 247 NH1 ARG A 16 -4.157 2.509 9.216 1.00 0.00 N ATOM 248 NH2 ARG A 16 -3.965 0.590 10.458 1.00 0.00 N ATOM 0 H ARG A 16 0.166 -0.621 3.693 1.00 0.00 H new ATOM 0 HA ARG A 16 0.393 -1.456 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.113 -0.242 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.021 -0.983 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.249 0.769 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.657 1.568 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.937 2.610 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.047 1.702 6.682 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.280 -0.057 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.881 3.074 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.860 2.858 9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.541 -0.325 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.668 0.943 11.107 1.00 0.00 H new ATOM 262 N VAL A 17 -1.284 -3.430 6.003 1.00 0.00 N ATOM 263 CA VAL A 17 -1.791 -4.743 5.625 1.00 0.00 C ATOM 264 C VAL A 17 -3.234 -4.932 6.091 1.00 0.00 C ATOM 265 O VAL A 17 -3.587 -5.968 6.656 1.00 0.00 O ATOM 266 CB VAL A 17 -0.916 -5.874 6.203 1.00 0.00 C ATOM 267 CG1 VAL A 17 -1.185 -7.186 5.481 1.00 0.00 C ATOM 268 CG2 VAL A 17 0.558 -5.507 6.123 1.00 0.00 C ATOM 0 H VAL A 17 -1.375 -3.212 6.995 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.757 -4.794 4.537 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.178 -6.005 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.557 -7.970 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.234 -7.458 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.957 -7.072 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.158 -6.318 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.836 -5.343 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.738 -4.596 6.694 1.00 0.00 H new ATOM 278 N ARG A 18 -4.062 -3.919 5.857 1.00 0.00 N ATOM 279 CA ARG A 18 -5.470 -3.981 6.240 1.00 0.00 C ATOM 280 C ARG A 18 -6.212 -4.943 5.323 1.00 0.00 C ATOM 281 O ARG A 18 -6.788 -5.934 5.773 1.00 0.00 O ATOM 282 CB ARG A 18 -6.108 -2.591 6.169 1.00 0.00 C ATOM 283 CG ARG A 18 -7.599 -2.588 6.471 1.00 0.00 C ATOM 284 CD ARG A 18 -8.220 -1.227 6.201 1.00 0.00 C ATOM 285 NE ARG A 18 -9.675 -1.252 6.339 1.00 0.00 N ATOM 286 CZ ARG A 18 -10.504 -0.584 5.541 1.00 0.00 C ATOM 287 NH1 ARG A 18 -10.025 0.161 4.554 1.00 0.00 N ATOM 288 NH2 ARG A 18 -11.815 -0.661 5.731 1.00 0.00 N ATOM 0 H ARG A 18 -3.785 -3.047 5.406 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.538 -4.340 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.602 -1.932 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.947 -2.177 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.096 -3.343 5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.761 -2.862 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.803 -0.495 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.957 -0.902 5.195 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.078 -1.813 7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.018 0.223 4.405 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.664 0.672 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.188 -1.233 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.450 -0.149 5.119 1.00 0.00 H new ATOM 302 N GLY A 19 -6.192 -4.635 4.031 1.00 0.00 N ATOM 303 CA GLY A 19 -6.841 -5.481 3.048 1.00 0.00 C ATOM 304 C GLY A 19 -5.830 -6.135 2.132 1.00 0.00 C ATOM 305 O GLY A 19 -5.662 -5.715 0.987 1.00 0.00 O ATOM 0 H GLY A 19 -5.735 -3.809 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.426 -6.249 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.539 -4.887 2.458 1.00 0.00 H new ATOM 309 N THR A 20 -5.151 -7.158 2.647 1.00 0.00 N ATOM 310 CA THR A 20 -4.132 -7.874 1.886 1.00 0.00 C ATOM 311 C THR A 20 -4.566 -8.117 0.446 1.00 0.00 C ATOM 312 O THR A 20 -5.651 -8.640 0.187 1.00 0.00 O ATOM 313 CB THR A 20 -3.783 -9.223 2.543 1.00 0.00 C ATOM 314 OG1 THR A 20 -2.904 -9.971 1.695 1.00 0.00 O ATOM 315 CG2 THR A 20 -5.040 -10.035 2.822 1.00 0.00 C ATOM 0 H THR A 20 -5.290 -7.510 3.594 1.00 0.00 H new ATOM 0 HA THR A 20 -3.247 -7.237 1.883 1.00 0.00 H new ATOM 0 HB THR A 20 -3.285 -9.019 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.687 -10.826 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.766 -10.982 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.692 -9.477 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.564 -10.228 1.886 1.00 0.00 H new ATOM 323 N CYS A 21 -3.705 -7.728 -0.488 1.00 0.00 N ATOM 324 CA CYS A 21 -3.983 -7.887 -1.909 1.00 0.00 C ATOM 325 C CYS A 21 -3.647 -9.299 -2.377 1.00 0.00 C ATOM 326 O CYS A 21 -4.206 -9.786 -3.361 1.00 0.00 O ATOM 327 CB CYS A 21 -3.179 -6.865 -2.712 1.00 0.00 C ATOM 328 SG CYS A 21 -3.280 -7.080 -4.516 1.00 0.00 S ATOM 0 H CYS A 21 -2.803 -7.298 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.048 -7.719 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.529 -5.864 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.134 -6.924 -2.409 1.00 0.00 H new ATOM 333 N GLY A 22 -2.733 -9.952 -1.668 1.00 0.00 N ATOM 334 CA GLY A 22 -2.342 -11.302 -2.029 1.00 0.00 C ATOM 335 C GLY A 22 -1.392 -11.923 -1.024 1.00 0.00 C ATOM 336 O GLY A 22 -1.259 -11.436 0.099 1.00 0.00 O ATOM 0 H GLY A 22 -2.256 -9.571 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.233 -11.924 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.869 -11.289 -3.011 1.00 0.00 H new ATOM 340 N ILE A 23 -0.730 -13.003 -1.429 1.00 0.00 N ATOM 341 CA ILE A 23 0.211 -13.695 -0.557 1.00 0.00 C ATOM 342 C ILE A 23 1.402 -12.804 -0.216 1.00 0.00 C ATOM 343 O ILE A 23 1.753 -12.640 0.953 1.00 0.00 O ATOM 344 CB ILE A 23 0.727 -14.995 -1.208 1.00 0.00 C ATOM 345 CG1 ILE A 23 -0.445 -15.860 -1.684 1.00 0.00 C ATOM 346 CG2 ILE A 23 1.604 -15.767 -0.232 1.00 0.00 C ATOM 347 CD1 ILE A 23 -1.395 -16.271 -0.578 1.00 0.00 C ATOM 0 H ILE A 23 -0.829 -13.417 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.328 -13.943 0.358 1.00 0.00 H new ATOM 0 HB ILE A 23 1.331 -14.731 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.003 -15.312 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.051 -16.757 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.960 -16.681 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.457 -15.152 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.024 -16.021 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.197 -16.880 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.853 -16.848 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.820 -15.381 -0.114 1.00 0.00 H new ATOM 359 N ARG A 24 2.016 -12.229 -1.245 1.00 0.00 N ATOM 360 CA ARG A 24 3.169 -11.356 -1.059 1.00 0.00 C ATOM 361 C ARG A 24 2.800 -9.898 -1.313 1.00 0.00 C ATOM 362 O ARG A 24 3.594 -8.992 -1.056 1.00 0.00 O ATOM 363 CB ARG A 24 4.305 -11.776 -1.993 1.00 0.00 C ATOM 364 CG ARG A 24 3.956 -11.655 -3.468 1.00 0.00 C ATOM 365 CD ARG A 24 5.061 -12.211 -4.350 1.00 0.00 C ATOM 366 NE ARG A 24 5.226 -13.652 -4.179 1.00 0.00 N ATOM 367 CZ ARG A 24 6.290 -14.327 -4.599 1.00 0.00 C ATOM 368 NH1 ARG A 24 7.283 -13.694 -5.211 1.00 0.00 N ATOM 369 NH2 ARG A 24 6.364 -15.637 -4.409 1.00 0.00 N ATOM 0 H ARG A 24 1.734 -12.352 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 24 3.500 -11.450 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.182 -11.163 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.579 -12.808 -1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.027 -12.188 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.783 -10.608 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.835 -11.994 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.999 -11.708 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 24 4.482 -14.169 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.230 -12.686 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.099 -14.215 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.603 -16.128 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.182 -16.154 -4.732 1.00 0.00 H new ATOM 383 N PHE A 25 1.589 -9.679 -1.818 1.00 0.00 N ATOM 384 CA PHE A 25 1.115 -8.332 -2.107 1.00 0.00 C ATOM 385 C PHE A 25 0.582 -7.661 -0.845 1.00 0.00 C ATOM 386 O PHE A 25 0.128 -8.332 0.081 1.00 0.00 O ATOM 387 CB PHE A 25 0.021 -8.371 -3.176 1.00 0.00 C ATOM 388 CG PHE A 25 0.466 -9.000 -4.465 1.00 0.00 C ATOM 389 CD1 PHE A 25 0.355 -10.367 -4.658 1.00 0.00 C ATOM 390 CD2 PHE A 25 0.996 -8.224 -5.484 1.00 0.00 C ATOM 391 CE1 PHE A 25 0.765 -10.950 -5.843 1.00 0.00 C ATOM 392 CE2 PHE A 25 1.408 -8.801 -6.671 1.00 0.00 C ATOM 393 CZ PHE A 25 1.291 -10.166 -6.850 1.00 0.00 C ATOM 0 H PHE A 25 0.920 -10.417 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 25 1.958 -7.750 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.835 -8.923 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.318 -7.354 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.057 -10.985 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.088 -7.156 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.674 -12.017 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.821 -8.186 -7.457 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.611 -10.619 -7.777 1.00 0.00 H new ATOM 403 N LEU A 26 0.642 -6.333 -0.817 1.00 0.00 N ATOM 404 CA LEU A 26 0.163 -5.572 0.330 1.00 0.00 C ATOM 405 C LEU A 26 -0.709 -4.409 -0.117 1.00 0.00 C ATOM 406 O LEU A 26 -0.880 -4.170 -1.316 1.00 0.00 O ATOM 407 CB LEU A 26 1.336 -5.057 1.171 1.00 0.00 C ATOM 408 CG LEU A 26 2.081 -3.842 0.606 1.00 0.00 C ATOM 409 CD1 LEU A 26 3.064 -3.299 1.633 1.00 0.00 C ATOM 410 CD2 LEU A 26 2.807 -4.201 -0.682 1.00 0.00 C ATOM 0 H LEU A 26 1.017 -5.763 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.439 -6.241 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.963 -4.801 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.051 -5.870 1.299 1.00 0.00 H new ATOM 0 HG LEU A 26 1.347 -3.069 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.585 -2.437 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.523 -2.998 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.788 -4.073 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.328 -3.323 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.529 -4.993 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.085 -4.545 -1.423 1.00 0.00 H new ATOM 422 N TYR A 27 -1.250 -3.678 0.854 1.00 0.00 N ATOM 423 CA TYR A 27 -2.118 -2.551 0.559 1.00 0.00 C ATOM 424 C TYR A 27 -1.469 -1.237 0.975 1.00 0.00 C ATOM 425 O TYR A 27 -1.069 -1.067 2.125 1.00 0.00 O ATOM 426 CB TYR A 27 -3.461 -2.732 1.264 1.00 0.00 C ATOM 427 CG TYR A 27 -4.645 -2.504 0.358 1.00 0.00 C ATOM 428 CD1 TYR A 27 -4.827 -3.283 -0.777 1.00 0.00 C ATOM 429 CD2 TYR A 27 -5.576 -1.512 0.632 1.00 0.00 C ATOM 430 CE1 TYR A 27 -5.906 -3.080 -1.615 1.00 0.00 C ATOM 431 CE2 TYR A 27 -6.659 -1.303 -0.201 1.00 0.00 C ATOM 432 CZ TYR A 27 -6.820 -2.088 -1.322 1.00 0.00 C ATOM 433 OH TYR A 27 -7.895 -1.882 -2.155 1.00 0.00 O ATOM 0 H TYR A 27 -1.101 -3.848 1.849 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.284 -2.515 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.515 -3.740 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.518 -2.042 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.113 -4.060 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.452 -0.894 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.034 -3.694 -2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.376 -0.528 0.026 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.443 -1.148 -1.807 1.00 0.00 H new ATOM 443 N CYS A 28 -1.372 -0.310 0.029 1.00 0.00 N ATOM 444 CA CYS A 28 -0.765 0.988 0.292 1.00 0.00 C ATOM 445 C CYS A 28 -1.630 2.118 -0.255 1.00 0.00 C ATOM 446 O CYS A 28 -2.146 2.035 -1.370 1.00 0.00 O ATOM 447 CB CYS A 28 0.634 1.053 -0.325 1.00 0.00 C ATOM 448 SG CYS A 28 1.810 -0.145 0.379 1.00 0.00 S ATOM 0 H CYS A 28 -1.706 -0.434 -0.927 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.685 1.111 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.555 0.881 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.032 2.059 -0.192 1.00 0.00 H new ATOM 453 N CYS A 29 -1.782 3.175 0.537 1.00 0.00 N ATOM 454 CA CYS A 29 -2.588 4.322 0.134 1.00 0.00 C ATOM 455 C CYS A 29 -1.741 5.595 0.092 1.00 0.00 C ATOM 456 O CYS A 29 -0.846 5.775 0.919 1.00 0.00 O ATOM 457 CB CYS A 29 -3.761 4.503 1.098 1.00 0.00 C ATOM 458 SG CYS A 29 -5.367 4.764 0.278 1.00 0.00 S ATOM 0 H CYS A 29 -1.358 3.261 1.461 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.974 4.135 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.831 3.623 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.555 5.353 1.748 1.00 0.00 H new ATOM 463 N PRO A 30 -2.011 6.498 -0.872 1.00 0.00 N ATOM 464 CA PRO A 30 -1.262 7.753 -1.009 1.00 0.00 C ATOM 465 C PRO A 30 -1.568 8.740 0.113 1.00 0.00 C ATOM 466 O PRO A 30 -2.729 8.975 0.447 1.00 0.00 O ATOM 467 CB PRO A 30 -1.741 8.310 -2.350 1.00 0.00 C ATOM 468 CG PRO A 30 -3.101 7.734 -2.533 1.00 0.00 C ATOM 469 CD PRO A 30 -3.062 6.370 -1.901 1.00 0.00 C ATOM 0 HA PRO A 30 -0.186 7.589 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.770 9.400 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.074 8.018 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.857 8.361 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.357 7.667 -3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.023 6.103 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.819 5.597 -2.630 1.00 0.00 H new ATOM 477 N ARG A 31 -0.516 9.316 0.689 1.00 0.00 N ATOM 478 CA ARG A 31 -0.668 10.281 1.771 1.00 0.00 C ATOM 479 C ARG A 31 0.068 11.577 1.447 1.00 0.00 C ATOM 480 O ARG A 31 1.274 11.690 1.671 1.00 0.00 O ATOM 481 CB ARG A 31 -0.142 9.697 3.084 1.00 0.00 C ATOM 482 CG ARG A 31 -0.840 8.414 3.507 1.00 0.00 C ATOM 483 CD ARG A 31 -2.313 8.647 3.806 1.00 0.00 C ATOM 484 NE ARG A 31 -2.968 7.441 4.304 1.00 0.00 N ATOM 485 CZ ARG A 31 -4.268 7.361 4.568 1.00 0.00 C ATOM 486 NH1 ARG A 31 -5.055 8.410 4.372 1.00 0.00 N ATOM 487 NH2 ARG A 31 -4.783 6.229 5.027 1.00 0.00 N ATOM 0 H ARG A 31 0.451 9.130 0.423 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.730 10.502 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.926 9.503 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.257 10.440 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.742 7.669 2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.349 8.007 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.412 9.444 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.817 8.986 2.901 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.395 6.612 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.663 9.282 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.052 8.345 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.181 5.419 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.781 6.168 5.230 1.00 0.00 H new ATOM 501 N ARG A 32 -0.664 12.552 0.918 1.00 0.00 N ATOM 502 CA ARG A 32 -0.081 13.841 0.564 1.00 0.00 C ATOM 503 C ARG A 32 -1.024 14.987 0.922 1.00 0.00 C ATOM 504 O ARG A 32 -0.901 15.521 2.044 1.00 0.00 O ATOM 505 CB ARG A 32 0.262 13.877 -0.929 1.00 0.00 C ATOM 506 CG ARG A 32 -0.850 13.353 -1.825 1.00 0.00 C ATOM 507 CD ARG A 32 -0.464 13.425 -3.293 1.00 0.00 C ATOM 508 NE ARG A 32 0.756 12.677 -3.579 1.00 0.00 N ATOM 509 CZ ARG A 32 1.556 12.933 -4.610 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.266 13.919 -5.451 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.647 12.205 -4.803 1.00 0.00 N ATOM 512 OXT ARG A 32 -1.878 15.341 0.082 1.00 0.00 O ATOM 0 H ARG A 32 -1.663 12.474 0.725 1.00 0.00 H new ATOM 0 HA ARG A 32 0.836 13.968 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.494 14.903 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.163 13.287 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.078 12.321 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.757 13.933 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.279 13.033 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.325 14.467 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 32 1.010 11.914 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.428 14.482 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.881 14.113 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.874 11.447 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.259 12.403 -5.595 1.00 0.00 H new TER 526 ARG A 32