USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 240 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 CYS N :NH3+ -149:sc= 0.128 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -6.82! C(o=-6.8!,f=-5.7!) USER MOD Single : A 12 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 168:sc= -1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.778 -7.313 8.302 1.00 0.00 N ATOM 2 CA CYS A 1 -2.892 -7.159 7.162 1.00 0.00 C ATOM 3 C CYS A 1 -3.588 -6.271 6.128 1.00 0.00 C ATOM 4 O CYS A 1 -4.631 -5.685 6.411 1.00 0.00 O ATOM 5 CB CYS A 1 -2.488 -8.512 6.571 1.00 0.00 C ATOM 6 SG CYS A 1 -3.879 -9.516 5.932 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.213 -7.425 9.168 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.382 -6.471 8.389 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.375 -8.154 8.167 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.964 -6.685 7.482 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.779 -8.342 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.966 -9.086 7.337 1.00 0.00 H new ATOM 11 N VAL A 2 -2.982 -6.199 4.952 1.00 0.00 N ATOM 12 CA VAL A 2 -3.531 -5.392 3.875 1.00 0.00 C ATOM 13 C VAL A 2 -3.284 -6.095 2.540 1.00 0.00 C ATOM 14 O VAL A 2 -2.284 -6.792 2.376 1.00 0.00 O ATOM 15 CB VAL A 2 -2.940 -3.981 3.926 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.816 -3.389 2.521 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.772 -3.071 4.833 1.00 0.00 C ATOM 0 H VAL A 2 -2.116 -6.686 4.721 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.609 -5.283 3.990 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.938 -4.051 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.394 -2.386 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.164 -4.020 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.802 -3.339 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.331 -2.074 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.791 -3.010 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.788 -3.480 5.843 1.00 0.00 H new ATOM 27 N ARG A 3 -4.214 -5.890 1.619 1.00 0.00 N ATOM 28 CA ARG A 3 -4.110 -6.496 0.302 1.00 0.00 C ATOM 29 C ARG A 3 -3.258 -5.622 -0.619 1.00 0.00 C ATOM 30 O ARG A 3 -2.935 -4.484 -0.278 1.00 0.00 O ATOM 31 CB ARG A 3 -5.492 -6.689 -0.326 1.00 0.00 C ATOM 32 CG ARG A 3 -6.334 -7.670 0.494 1.00 0.00 C ATOM 33 CD ARG A 3 -6.111 -9.109 0.026 1.00 0.00 C ATOM 34 NE ARG A 3 -4.759 -9.565 0.419 1.00 0.00 N ATOM 35 CZ ARG A 3 -4.079 -10.535 -0.208 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.623 -11.156 -1.264 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.859 -10.882 0.218 1.00 0.00 N ATOM 0 H ARG A 3 -5.043 -5.313 1.759 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.638 -7.471 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.004 -5.729 -0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.384 -7.060 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.075 -7.583 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.389 -7.414 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.866 -9.763 0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.224 -9.170 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.316 -9.112 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.553 -10.890 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.107 -11.894 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.445 -10.408 1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.343 -11.620 -0.260 1.00 0.00 H new ATOM 51 N LEU A 4 -2.915 -6.186 -1.768 1.00 0.00 N ATOM 52 CA LEU A 4 -2.105 -5.472 -2.741 1.00 0.00 C ATOM 53 C LEU A 4 -2.810 -4.170 -3.127 1.00 0.00 C ATOM 54 O LEU A 4 -2.222 -3.094 -3.043 1.00 0.00 O ATOM 55 CB LEU A 4 -1.781 -6.373 -3.933 1.00 0.00 C ATOM 56 CG LEU A 4 -0.320 -6.388 -4.386 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.380 -7.673 -3.939 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.213 -6.172 -5.897 1.00 0.00 C ATOM 0 H LEU A 4 -3.183 -7.130 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.143 -5.198 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.073 -7.393 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.399 -6.063 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 4 0.196 -5.557 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.417 -7.658 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.351 -7.744 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.129 -8.534 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.836 -6.187 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.748 -6.966 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.650 -5.208 -6.159 1.00 0.00 H new ATOM 70 N HIS A 5 -4.060 -4.312 -3.544 1.00 0.00 N ATOM 71 CA HIS A 5 -4.851 -3.161 -3.944 1.00 0.00 C ATOM 72 C HIS A 5 -5.533 -2.557 -2.715 1.00 0.00 C ATOM 73 O HIS A 5 -6.719 -2.234 -2.755 1.00 0.00 O ATOM 74 CB HIS A 5 -5.843 -3.541 -5.046 1.00 0.00 C ATOM 75 CG HIS A 5 -5.488 -2.989 -6.406 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.099 -3.793 -7.463 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.469 -1.707 -6.871 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.859 -3.020 -8.510 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.089 -1.728 -8.143 1.00 0.00 N ATOM 0 H HIS A 5 -4.544 -5.207 -3.613 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.200 -2.396 -4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.901 -4.628 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.835 -3.184 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.720 -0.825 -6.301 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.537 -3.355 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.986 -0.912 -8.746 1.00 0.00 H new ATOM 88 N GLU A 6 -4.753 -2.418 -1.654 1.00 0.00 N ATOM 89 CA GLU A 6 -5.267 -1.856 -0.415 1.00 0.00 C ATOM 90 C GLU A 6 -4.245 -0.895 0.195 1.00 0.00 C ATOM 91 O GLU A 6 -3.188 -1.319 0.660 1.00 0.00 O ATOM 92 CB GLU A 6 -5.640 -2.960 0.575 1.00 0.00 C ATOM 93 CG GLU A 6 -7.033 -3.517 0.276 1.00 0.00 C ATOM 94 CD GLU A 6 -7.492 -4.470 1.382 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.607 -4.939 2.129 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.717 -4.707 1.455 1.00 0.00 O ATOM 0 H GLU A 6 -3.769 -2.684 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.174 -1.296 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.905 -3.763 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.612 -2.567 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.744 -2.696 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.021 -4.042 -0.679 1.00 0.00 H new ATOM 103 N SER A 7 -4.597 0.383 0.175 1.00 0.00 N ATOM 104 CA SER A 7 -3.723 1.408 0.720 1.00 0.00 C ATOM 105 C SER A 7 -2.921 0.842 1.894 1.00 0.00 C ATOM 106 O SER A 7 -3.444 0.064 2.689 1.00 0.00 O ATOM 107 CB SER A 7 -4.524 2.633 1.168 1.00 0.00 C ATOM 108 OG SER A 7 -4.036 3.172 2.393 1.00 0.00 O ATOM 0 H SER A 7 -5.475 0.731 -0.210 1.00 0.00 H new ATOM 0 HA SER A 7 -3.035 1.723 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.480 3.398 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.572 2.358 1.285 1.00 0.00 H new ATOM 0 HG SER A 7 -4.573 3.953 2.644 1.00 0.00 H new ATOM 114 N CYS A 8 -1.665 1.255 1.964 1.00 0.00 N ATOM 115 CA CYS A 8 -0.784 0.799 3.027 1.00 0.00 C ATOM 116 C CYS A 8 -0.192 2.027 3.719 1.00 0.00 C ATOM 117 O CYS A 8 0.662 1.897 4.596 1.00 0.00 O ATOM 118 CB CYS A 8 0.302 -0.139 2.498 1.00 0.00 C ATOM 119 SG CYS A 8 1.728 -0.373 3.620 1.00 0.00 S ATOM 0 H CYS A 8 -1.235 1.901 1.302 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.353 0.216 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.146 -1.112 2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.666 0.250 1.547 1.00 0.00 H new ATOM 124 N LEU A 9 -0.666 3.190 3.301 1.00 0.00 N ATOM 125 CA LEU A 9 -0.194 4.440 3.870 1.00 0.00 C ATOM 126 C LEU A 9 -0.414 4.422 5.384 1.00 0.00 C ATOM 127 O LEU A 9 -1.504 4.098 5.852 1.00 0.00 O ATOM 128 CB LEU A 9 -0.848 5.631 3.168 1.00 0.00 C ATOM 129 CG LEU A 9 -1.897 6.396 3.979 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.244 7.498 4.816 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.001 6.941 3.073 1.00 0.00 C ATOM 0 H LEU A 9 -1.373 3.293 2.574 1.00 0.00 H new ATOM 0 HA LEU A 9 0.877 4.552 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.064 6.329 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.316 5.274 2.251 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.367 5.700 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.010 8.027 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.525 7.054 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.731 8.199 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.733 7.480 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.567 7.618 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.492 6.114 2.560 1.00 0.00 H new ATOM 143 N GLY A 10 0.638 4.774 6.108 1.00 0.00 N ATOM 144 CA GLY A 10 0.573 4.801 7.559 1.00 0.00 C ATOM 145 C GLY A 10 -0.282 3.649 8.091 1.00 0.00 C ATOM 146 O GLY A 10 -1.251 3.873 8.816 1.00 0.00 O ATOM 0 H GLY A 10 1.541 5.043 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.579 4.733 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.155 5.752 7.890 1.00 0.00 H new ATOM 150 N GLN A 11 0.107 2.441 7.712 1.00 0.00 N ATOM 151 CA GLN A 11 -0.611 1.254 8.142 1.00 0.00 C ATOM 152 C GLN A 11 0.051 0.653 9.385 1.00 0.00 C ATOM 153 O GLN A 11 1.273 0.682 9.516 1.00 0.00 O ATOM 154 CB GLN A 11 -0.694 0.224 7.014 1.00 0.00 C ATOM 155 CG GLN A 11 -2.145 -0.010 6.590 1.00 0.00 C ATOM 156 CD GLN A 11 -2.728 -1.240 7.287 1.00 0.00 C ATOM 157 OE1 GLN A 11 -3.736 -1.179 7.971 1.00 0.00 O ATOM 158 NE2 GLN A 11 -2.041 -2.358 7.076 1.00 0.00 N ATOM 0 H GLN A 11 0.911 2.259 7.111 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.629 1.544 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.113 0.569 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.251 -0.716 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.744 0.868 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.195 -0.142 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.205 -2.340 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.350 -3.234 7.498 1.00 0.00 H new ATOM 167 N GLN A 12 -0.787 0.125 10.265 1.00 0.00 N ATOM 168 CA GLN A 12 -0.298 -0.481 11.491 1.00 0.00 C ATOM 169 C GLN A 12 -0.147 -1.993 11.313 1.00 0.00 C ATOM 170 O GLN A 12 0.348 -2.680 12.206 1.00 0.00 O ATOM 171 CB GLN A 12 -1.221 -0.156 12.669 1.00 0.00 C ATOM 172 CG GLN A 12 -0.421 0.357 13.867 1.00 0.00 C ATOM 173 CD GLN A 12 -1.294 1.225 14.778 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.939 2.166 14.347 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.274 0.857 16.054 1.00 0.00 N ATOM 0 H GLN A 12 -1.801 0.104 10.153 1.00 0.00 H new ATOM 0 HA GLN A 12 0.683 -0.062 11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.952 0.594 12.367 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.779 -1.047 12.955 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.025 -0.486 14.433 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.434 0.936 13.517 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.711 0.058 16.346 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.822 1.373 16.742 1.00 0.00 H new ATOM 184 N VAL A 13 -0.582 -2.467 10.156 1.00 0.00 N ATOM 185 CA VAL A 13 -0.502 -3.884 9.849 1.00 0.00 C ATOM 186 C VAL A 13 0.256 -4.076 8.534 1.00 0.00 C ATOM 187 O VAL A 13 0.254 -3.192 7.679 1.00 0.00 O ATOM 188 CB VAL A 13 -1.904 -4.496 9.826 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.019 -5.646 10.829 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.970 -3.430 10.088 1.00 0.00 C ATOM 0 H VAL A 13 -0.992 -1.894 9.418 1.00 0.00 H new ATOM 0 HA VAL A 13 0.055 -4.411 10.624 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.075 -4.904 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.026 -6.062 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.296 -6.422 10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.817 -5.274 11.834 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.958 -3.890 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.801 -2.979 11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.912 -2.660 9.319 1.00 0.00 H new ATOM 200 N PRO A 14 0.903 -5.266 8.411 1.00 0.00 N ATOM 201 CA PRO A 14 1.663 -5.584 7.214 1.00 0.00 C ATOM 202 C PRO A 14 0.734 -5.929 6.050 1.00 0.00 C ATOM 203 O PRO A 14 -0.485 -5.810 6.167 1.00 0.00 O ATOM 204 CB PRO A 14 2.567 -6.738 7.617 1.00 0.00 C ATOM 205 CG PRO A 14 1.952 -7.328 8.877 1.00 0.00 C ATOM 206 CD PRO A 14 0.928 -6.335 9.404 1.00 0.00 C ATOM 0 HA PRO A 14 2.253 -4.741 6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.625 -7.484 6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.583 -6.391 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.479 -8.285 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.722 -7.516 9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.053 -6.798 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.212 -5.957 10.386 1.00 0.00 H new ATOM 214 N CYS A 15 1.344 -6.351 4.952 1.00 0.00 N ATOM 215 CA CYS A 15 0.585 -6.716 3.767 1.00 0.00 C ATOM 216 C CYS A 15 0.541 -8.243 3.677 1.00 0.00 C ATOM 217 O CYS A 15 1.581 -8.898 3.662 1.00 0.00 O ATOM 218 CB CYS A 15 1.173 -6.086 2.503 1.00 0.00 C ATOM 219 SG CYS A 15 0.232 -4.661 1.845 1.00 0.00 S ATOM 0 H CYS A 15 2.355 -6.448 4.858 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.431 -6.328 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.192 -5.763 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.236 -6.851 1.729 1.00 0.00 H new ATOM 224 N CYS A 16 -0.675 -8.765 3.616 1.00 0.00 N ATOM 225 CA CYS A 16 -0.870 -10.201 3.528 1.00 0.00 C ATOM 226 C CYS A 16 -0.085 -10.718 2.319 1.00 0.00 C ATOM 227 O CYS A 16 0.329 -11.877 2.293 1.00 0.00 O ATOM 228 CB CYS A 16 -2.354 -10.568 3.443 1.00 0.00 C ATOM 229 SG CYS A 16 -3.100 -11.116 5.022 1.00 0.00 S ATOM 0 H CYS A 16 -1.536 -8.218 3.626 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.497 -10.677 4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.907 -9.703 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.476 -11.361 2.705 1.00 0.00 H new ATOM 234 N ASP A 17 0.095 -9.835 1.349 1.00 0.00 N ATOM 235 CA ASP A 17 0.823 -10.187 0.141 1.00 0.00 C ATOM 236 C ASP A 17 2.304 -9.854 0.328 1.00 0.00 C ATOM 237 O ASP A 17 2.672 -8.686 0.437 1.00 0.00 O ATOM 238 CB ASP A 17 0.308 -9.395 -1.062 1.00 0.00 C ATOM 239 CG ASP A 17 -1.093 -9.780 -1.541 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.198 -10.840 -2.195 1.00 0.00 O ATOM 241 OD2 ASP A 17 -2.028 -9.008 -1.239 1.00 0.00 O ATOM 0 H ASP A 17 -0.251 -8.876 1.374 1.00 0.00 H new ATOM 0 HA ASP A 17 0.680 -11.252 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.309 -8.335 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.006 -9.525 -1.889 1.00 0.00 H new ATOM 246 N PRO A 18 3.134 -10.930 0.361 1.00 0.00 N ATOM 247 CA PRO A 18 4.568 -10.764 0.534 1.00 0.00 C ATOM 248 C PRO A 18 5.219 -10.257 -0.754 1.00 0.00 C ATOM 249 O PRO A 18 6.280 -9.635 -0.714 1.00 0.00 O ATOM 250 CB PRO A 18 5.074 -12.134 0.957 1.00 0.00 C ATOM 251 CG PRO A 18 3.990 -13.121 0.556 1.00 0.00 C ATOM 252 CD PRO A 18 2.734 -12.328 0.236 1.00 0.00 C ATOM 0 HA PRO A 18 4.818 -10.013 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.018 -12.370 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.256 -12.169 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.305 -13.703 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.800 -13.828 1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.373 -12.548 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.926 -12.571 0.926 1.00 0.00 H new ATOM 260 N ALA A 19 4.558 -10.541 -1.866 1.00 0.00 N ATOM 261 CA ALA A 19 5.058 -10.121 -3.164 1.00 0.00 C ATOM 262 C ALA A 19 4.536 -8.718 -3.478 1.00 0.00 C ATOM 263 O ALA A 19 4.462 -8.325 -4.642 1.00 0.00 O ATOM 264 CB ALA A 19 4.653 -11.145 -4.224 1.00 0.00 C ATOM 0 H ALA A 19 3.679 -11.058 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 19 6.147 -10.073 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.028 -10.829 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.075 -12.117 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.566 -11.220 -4.261 1.00 0.00 H new ATOM 270 N ALA A 20 4.188 -8.000 -2.420 1.00 0.00 N ATOM 271 CA ALA A 20 3.674 -6.650 -2.569 1.00 0.00 C ATOM 272 C ALA A 20 4.714 -5.653 -2.052 1.00 0.00 C ATOM 273 O ALA A 20 5.643 -6.033 -1.342 1.00 0.00 O ATOM 274 CB ALA A 20 2.337 -6.528 -1.836 1.00 0.00 C ATOM 0 H ALA A 20 4.252 -8.328 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 20 3.492 -6.423 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.952 -5.515 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.624 -7.236 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.481 -6.746 -0.778 1.00 0.00 H new ATOM 280 N THR A 21 4.523 -4.398 -2.431 1.00 0.00 N ATOM 281 CA THR A 21 5.433 -3.344 -2.015 1.00 0.00 C ATOM 282 C THR A 21 4.650 -2.097 -1.596 1.00 0.00 C ATOM 283 O THR A 21 3.922 -1.519 -2.401 1.00 0.00 O ATOM 284 CB THR A 21 6.416 -3.089 -3.160 1.00 0.00 C ATOM 285 OG1 THR A 21 5.831 -3.758 -4.274 1.00 0.00 O ATOM 286 CG2 THR A 21 7.753 -3.805 -2.953 1.00 0.00 C ATOM 0 H THR A 21 3.752 -4.087 -3.022 1.00 0.00 H new ATOM 0 HA THR A 21 6.005 -3.640 -1.136 1.00 0.00 H new ATOM 0 HB THR A 21 6.590 -2.018 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.403 -3.643 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.414 -3.591 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.214 -3.454 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.584 -4.880 -2.889 1.00 0.00 H new ATOM 294 N CYS A 22 4.827 -1.721 -0.339 1.00 0.00 N ATOM 295 CA CYS A 22 4.147 -0.554 0.196 1.00 0.00 C ATOM 296 C CYS A 22 4.782 0.695 -0.416 1.00 0.00 C ATOM 297 O CYS A 22 5.666 1.307 0.184 1.00 0.00 O ATOM 298 CB CYS A 22 4.191 -0.526 1.726 1.00 0.00 C ATOM 299 SG CYS A 22 3.138 0.756 2.499 1.00 0.00 S ATOM 0 H CYS A 22 5.432 -2.204 0.325 1.00 0.00 H new ATOM 0 HA CYS A 22 3.091 -0.591 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.886 -1.502 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.222 -0.370 2.043 1.00 0.00 H new ATOM 304 N TYR A 23 4.308 1.039 -1.605 1.00 0.00 N ATOM 305 CA TYR A 23 4.819 2.205 -2.306 1.00 0.00 C ATOM 306 C TYR A 23 3.766 3.312 -2.369 1.00 0.00 C ATOM 307 O TYR A 23 2.567 3.035 -2.354 1.00 0.00 O ATOM 308 CB TYR A 23 5.135 1.737 -3.727 1.00 0.00 C ATOM 309 CG TYR A 23 6.061 2.679 -4.502 1.00 0.00 C ATOM 310 CD1 TYR A 23 7.313 2.977 -4.005 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.641 3.230 -5.696 1.00 0.00 C ATOM 312 CE1 TYR A 23 8.184 3.864 -4.734 1.00 0.00 C ATOM 313 CE2 TYR A 23 6.513 4.116 -6.425 1.00 0.00 C ATOM 314 CZ TYR A 23 7.741 4.389 -5.907 1.00 0.00 C ATOM 315 OH TYR A 23 8.563 5.226 -6.595 1.00 0.00 O ATOM 0 H TYR A 23 3.576 0.531 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 23 5.693 2.608 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.595 0.750 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.201 1.627 -4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.640 2.546 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.660 2.997 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.167 4.106 -4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.199 4.553 -7.361 1.00 0.00 H new ATOM 0 HH TYR A 23 8.115 5.524 -7.414 1.00 0.00 H new ATOM 325 N CYS A 24 4.251 4.544 -2.436 1.00 0.00 N ATOM 326 CA CYS A 24 3.365 5.694 -2.501 1.00 0.00 C ATOM 327 C CYS A 24 3.714 6.498 -3.755 1.00 0.00 C ATOM 328 O CYS A 24 4.867 6.879 -3.952 1.00 0.00 O ATOM 329 CB CYS A 24 3.451 6.547 -1.235 1.00 0.00 C ATOM 330 SG CYS A 24 3.976 5.640 0.267 1.00 0.00 S ATOM 0 H CYS A 24 5.246 4.770 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 24 2.331 5.356 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.150 7.365 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.475 6.996 -1.049 1.00 0.00 H new ATOM 335 N ARG A 25 2.696 6.732 -4.571 1.00 0.00 N ATOM 336 CA ARG A 25 2.881 7.484 -5.801 1.00 0.00 C ATOM 337 C ARG A 25 3.293 8.925 -5.486 1.00 0.00 C ATOM 338 O ARG A 25 4.405 9.341 -5.805 1.00 0.00 O ATOM 339 CB ARG A 25 1.599 7.499 -6.636 1.00 0.00 C ATOM 340 CG ARG A 25 1.648 8.600 -7.696 1.00 0.00 C ATOM 341 CD ARG A 25 2.989 8.594 -8.433 1.00 0.00 C ATOM 342 NE ARG A 25 3.416 7.202 -8.695 1.00 0.00 N ATOM 343 CZ ARG A 25 4.210 6.839 -9.711 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.670 7.763 -10.566 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.545 5.551 -9.873 1.00 0.00 N ATOM 0 H ARG A 25 1.741 6.414 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 25 3.668 6.994 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.464 6.531 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.739 7.654 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.836 8.459 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.493 9.570 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.899 9.139 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.743 9.108 -7.837 1.00 0.00 H new ATOM 0 HE ARG A 25 3.085 6.473 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.416 8.743 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.275 7.486 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.195 4.847 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.150 5.275 -10.647 1.00 0.00 H new ATOM 359 N PHE A 26 2.372 9.646 -4.863 1.00 0.00 N ATOM 360 CA PHE A 26 2.624 11.030 -4.500 1.00 0.00 C ATOM 361 C PHE A 26 3.485 11.120 -3.240 1.00 0.00 C ATOM 362 O PHE A 26 4.216 10.183 -2.914 1.00 0.00 O ATOM 363 CB PHE A 26 1.265 11.674 -4.222 1.00 0.00 C ATOM 364 CG PHE A 26 1.144 13.115 -4.724 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.265 13.853 -4.950 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.082 13.659 -4.944 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.153 15.190 -5.415 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.194 14.995 -5.410 1.00 0.00 C ATOM 369 CZ PHE A 26 0.927 15.733 -5.635 1.00 0.00 C ATOM 0 H PHE A 26 1.450 9.297 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 26 3.156 11.534 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.486 11.071 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.080 11.658 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.240 13.422 -4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.972 13.074 -4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.043 15.776 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.169 15.426 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.842 16.750 -5.988 1.00 0.00 H new ATOM 379 N PHE A 27 3.370 12.252 -2.561 1.00 0.00 N ATOM 380 CA PHE A 27 4.130 12.475 -1.343 1.00 0.00 C ATOM 381 C PHE A 27 3.511 11.718 -0.166 1.00 0.00 C ATOM 382 O PHE A 27 4.137 10.824 0.400 1.00 0.00 O ATOM 383 CB PHE A 27 4.079 13.976 -1.053 1.00 0.00 C ATOM 384 CG PHE A 27 5.292 14.503 -0.285 1.00 0.00 C ATOM 385 CD1 PHE A 27 5.510 14.107 0.998 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.155 15.366 -0.885 1.00 0.00 C ATOM 387 CE1 PHE A 27 6.637 14.596 1.711 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.280 15.856 -0.172 1.00 0.00 C ATOM 389 CZ PHE A 27 7.498 15.460 1.110 1.00 0.00 C ATOM 0 H PHE A 27 2.762 13.025 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 27 5.153 12.120 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.997 14.515 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.177 14.195 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.826 13.421 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.984 15.679 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.810 14.282 2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.963 16.544 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.355 15.832 1.651 1.00 0.00 H new ATOM 399 N ASN A 28 2.288 12.106 0.168 1.00 0.00 N ATOM 400 CA ASN A 28 1.578 11.476 1.267 1.00 0.00 C ATOM 401 C ASN A 28 0.080 11.448 0.952 1.00 0.00 C ATOM 402 O ASN A 28 -0.686 12.242 1.495 1.00 0.00 O ATOM 403 CB ASN A 28 1.773 12.256 2.568 1.00 0.00 C ATOM 404 CG ASN A 28 1.749 11.320 3.779 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.755 10.760 4.183 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.549 11.181 4.333 1.00 0.00 N ATOM 0 H ASN A 28 1.772 12.849 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 28 1.973 10.467 1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.722 12.791 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.988 13.005 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.430 10.577 5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.253 11.679 3.945 1.00 0.00 H new ATOM 413 N ALA A 29 -0.290 10.524 0.078 1.00 0.00 N ATOM 414 CA ALA A 29 -1.682 10.383 -0.316 1.00 0.00 C ATOM 415 C ALA A 29 -1.927 8.954 -0.805 1.00 0.00 C ATOM 416 O ALA A 29 -2.453 8.123 -0.066 1.00 0.00 O ATOM 417 CB ALA A 29 -2.022 11.430 -1.379 1.00 0.00 C ATOM 0 H ALA A 29 0.349 9.866 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.341 10.558 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.066 11.323 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.860 12.428 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.383 11.285 -2.250 1.00 0.00 H new ATOM 423 N PHE A 30 -1.534 8.713 -2.048 1.00 0.00 N ATOM 424 CA PHE A 30 -1.702 7.399 -2.643 1.00 0.00 C ATOM 425 C PHE A 30 -0.543 6.474 -2.270 1.00 0.00 C ATOM 426 O PHE A 30 0.568 6.630 -2.774 1.00 0.00 O ATOM 427 CB PHE A 30 -1.714 7.595 -4.161 1.00 0.00 C ATOM 428 CG PHE A 30 -2.972 8.289 -4.690 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.026 9.647 -4.748 1.00 0.00 C ATOM 430 CD2 PHE A 30 -4.036 7.548 -5.100 1.00 0.00 C ATOM 431 CE1 PHE A 30 -4.194 10.290 -5.238 1.00 0.00 C ATOM 432 CE2 PHE A 30 -5.202 8.191 -5.591 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.257 9.548 -5.649 1.00 0.00 C ATOM 0 H PHE A 30 -1.100 9.406 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.624 6.943 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.841 8.181 -4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.618 6.622 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.181 10.236 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.994 6.470 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.238 11.368 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.046 7.602 -5.919 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.145 10.037 -6.022 1.00 0.00 H new ATOM 443 N CYS A 31 -0.842 5.530 -1.391 1.00 0.00 N ATOM 444 CA CYS A 31 0.162 4.578 -0.943 1.00 0.00 C ATOM 445 C CYS A 31 -0.528 3.235 -0.691 1.00 0.00 C ATOM 446 O CYS A 31 -1.437 3.144 0.132 1.00 0.00 O ATOM 447 CB CYS A 31 0.903 5.080 0.297 1.00 0.00 C ATOM 448 SG CYS A 31 2.547 4.322 0.567 1.00 0.00 S ATOM 0 H CYS A 31 -1.765 5.403 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 31 0.922 4.456 -1.715 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.025 6.160 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.283 4.893 1.174 1.00 0.00 H new ATOM 453 N TYR A 32 -0.069 2.227 -1.417 1.00 0.00 N ATOM 454 CA TYR A 32 -0.630 0.892 -1.283 1.00 0.00 C ATOM 455 C TYR A 32 0.441 -0.177 -1.512 1.00 0.00 C ATOM 456 O TYR A 32 1.633 0.120 -1.501 1.00 0.00 O ATOM 457 CB TYR A 32 -1.696 0.772 -2.374 1.00 0.00 C ATOM 458 CG TYR A 32 -1.681 1.917 -3.389 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.645 2.021 -4.294 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.702 2.844 -3.399 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.628 3.099 -5.250 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.687 3.921 -4.355 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.651 3.995 -5.233 1.00 0.00 C ATOM 464 OH TYR A 32 -1.637 5.012 -6.135 1.00 0.00 O ATOM 0 H TYR A 32 0.685 2.307 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.037 0.744 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.555 -0.170 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.679 0.730 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.154 1.294 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.513 2.762 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.178 3.193 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.481 4.653 -4.374 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.510 5.458 -6.139 1.00 0.00 H new ATOM 474 N CYS A 33 -0.027 -1.401 -1.716 1.00 0.00 N ATOM 475 CA CYS A 33 0.874 -2.517 -1.948 1.00 0.00 C ATOM 476 C CYS A 33 0.893 -2.817 -3.448 1.00 0.00 C ATOM 477 O CYS A 33 -0.058 -3.386 -3.982 1.00 0.00 O ATOM 478 CB CYS A 33 0.479 -3.744 -1.125 1.00 0.00 C ATOM 479 SG CYS A 33 1.417 -3.960 0.431 1.00 0.00 S ATOM 0 H CYS A 33 -1.018 -1.643 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 33 1.879 -2.250 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.582 -3.677 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.612 -4.634 -1.740 1.00 0.00 H new ATOM 484 N ARG A 34 1.984 -2.419 -4.085 1.00 0.00 N ATOM 485 CA ARG A 34 2.138 -2.638 -5.514 1.00 0.00 C ATOM 486 C ARG A 34 3.361 -3.515 -5.788 1.00 0.00 C ATOM 487 O ARG A 34 3.668 -4.417 -5.012 1.00 0.00 O ATOM 488 CB ARG A 34 2.290 -1.312 -6.261 1.00 0.00 C ATOM 489 CG ARG A 34 1.595 -1.366 -7.623 1.00 0.00 C ATOM 490 CD ARG A 34 2.399 -2.207 -8.616 1.00 0.00 C ATOM 491 NE ARG A 34 1.482 -2.964 -9.497 1.00 0.00 N ATOM 492 CZ ARG A 34 0.994 -4.178 -9.207 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.331 -4.779 -8.057 1.00 0.00 N ATOM 494 NH2 ARG A 34 0.168 -4.790 -10.066 1.00 0.00 N ATOM 0 H ARG A 34 2.770 -1.946 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 34 1.240 -3.141 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.866 -0.504 -5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.348 -1.087 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.596 -1.787 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.472 -0.356 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.042 -1.562 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.051 -2.895 -8.078 1.00 0.00 H new ATOM 0 HE ARG A 34 1.204 -2.535 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.959 -4.312 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.959 -5.703 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.089 -4.332 -10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.204 -5.714 -9.846 1.00 0.00 H new TER 508 ARG A 34