USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=6 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+ -150:sc= 0.0909 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 7 SER OG : rot -160:sc= -0.11 USER MOD Single : A 11 GLN :FLIP amide:sc= -6.11! C(o=-9.1!,f=-6.1!) USER MOD Single : A 12 GLN : amide:sc=-0.00314 X(o=-0.0031,f=-0.074) USER MOD Single : A 21 THR OG1 : rot -53:sc= 0.752 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.062 -7.442 8.287 1.00 0.00 N ATOM 2 CA CYS A 1 -3.063 -7.293 7.242 1.00 0.00 C ATOM 3 C CYS A 1 -3.610 -6.326 6.189 1.00 0.00 C ATOM 4 O CYS A 1 -4.660 -5.718 6.386 1.00 0.00 O ATOM 5 CB CYS A 1 -2.677 -8.642 6.633 1.00 0.00 C ATOM 6 SG CYS A 1 -3.992 -9.442 5.643 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.590 -7.637 9.193 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.615 -6.565 8.366 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.697 -8.231 8.051 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.146 -6.885 7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.800 -8.502 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.385 -9.318 7.437 1.00 0.00 H new ATOM 11 N VAL A 2 -2.873 -6.217 5.094 1.00 0.00 N ATOM 12 CA VAL A 2 -3.271 -5.336 4.009 1.00 0.00 C ATOM 13 C VAL A 2 -3.101 -6.065 2.675 1.00 0.00 C ATOM 14 O VAL A 2 -2.099 -6.748 2.461 1.00 0.00 O ATOM 15 CB VAL A 2 -2.480 -4.027 4.082 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.334 -3.398 2.694 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.127 -3.048 5.063 1.00 0.00 C ATOM 0 H VAL A 2 -2.002 -6.724 4.934 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.324 -5.070 4.100 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.481 -4.259 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.769 -2.470 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.808 -4.089 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.322 -3.187 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.545 -2.127 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.143 -2.824 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.155 -3.494 6.057 1.00 0.00 H new ATOM 27 N ARG A 3 -4.092 -5.896 1.814 1.00 0.00 N ATOM 28 CA ARG A 3 -4.064 -6.530 0.507 1.00 0.00 C ATOM 29 C ARG A 3 -3.244 -5.690 -0.473 1.00 0.00 C ATOM 30 O ARG A 3 -2.820 -4.584 -0.143 1.00 0.00 O ATOM 31 CB ARG A 3 -5.479 -6.712 -0.048 1.00 0.00 C ATOM 32 CG ARG A 3 -6.465 -7.060 1.069 1.00 0.00 C ATOM 33 CD ARG A 3 -5.895 -8.143 1.987 1.00 0.00 C ATOM 34 NE ARG A 3 -5.219 -9.185 1.182 1.00 0.00 N ATOM 35 CZ ARG A 3 -5.858 -10.046 0.380 1.00 0.00 C ATOM 36 NH1 ARG A 3 -7.192 -9.997 0.271 1.00 0.00 N ATOM 37 NH2 ARG A 3 -5.161 -10.959 -0.314 1.00 0.00 N ATOM 0 H ARG A 3 -4.920 -5.329 1.995 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.603 -7.511 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.798 -5.797 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.480 -7.502 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.690 -6.167 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.404 -7.403 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.190 -7.701 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.695 -8.590 2.577 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.203 -9.251 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.722 -9.304 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.678 -10.653 -0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.145 -10.997 -0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.647 -11.615 -0.925 1.00 0.00 H new ATOM 51 N LEU A 4 -3.045 -6.248 -1.659 1.00 0.00 N ATOM 52 CA LEU A 4 -2.283 -5.563 -2.688 1.00 0.00 C ATOM 53 C LEU A 4 -2.934 -4.210 -2.985 1.00 0.00 C ATOM 54 O LEU A 4 -2.297 -3.168 -2.847 1.00 0.00 O ATOM 55 CB LEU A 4 -2.128 -6.455 -3.923 1.00 0.00 C ATOM 56 CG LEU A 4 -0.851 -6.251 -4.742 1.00 0.00 C ATOM 57 CD1 LEU A 4 -0.956 -5.000 -5.616 1.00 0.00 C ATOM 58 CD2 LEU A 4 0.381 -6.218 -3.836 1.00 0.00 C ATOM 0 H LEU A 4 -3.398 -7.166 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.270 -5.360 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.168 -7.496 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.985 -6.290 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.733 -7.102 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.036 -4.877 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.798 -5.104 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.109 -4.126 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.275 -6.072 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.287 -5.398 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.460 -7.161 -3.295 1.00 0.00 H new ATOM 70 N HIS A 5 -4.194 -4.273 -3.387 1.00 0.00 N ATOM 71 CA HIS A 5 -4.939 -3.064 -3.704 1.00 0.00 C ATOM 72 C HIS A 5 -5.513 -2.465 -2.419 1.00 0.00 C ATOM 73 O HIS A 5 -6.689 -2.110 -2.368 1.00 0.00 O ATOM 74 CB HIS A 5 -6.012 -3.349 -4.758 1.00 0.00 C ATOM 75 CG HIS A 5 -5.833 -2.576 -6.041 1.00 0.00 C ATOM 76 ND1 HIS A 5 -4.681 -2.649 -6.806 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.669 -1.714 -6.688 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.829 -1.862 -7.862 1.00 0.00 C ATOM 79 NE2 HIS A 5 -6.061 -1.284 -7.786 1.00 0.00 N ATOM 0 H HIS A 5 -4.719 -5.140 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.270 -2.323 -4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.010 -4.415 -4.985 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.990 -3.115 -4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.658 -1.430 -6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.102 -1.706 -8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.452 -0.628 -8.463 1.00 0.00 H new ATOM 88 N GLU A 6 -4.656 -2.368 -1.415 1.00 0.00 N ATOM 89 CA GLU A 6 -5.062 -1.816 -0.134 1.00 0.00 C ATOM 90 C GLU A 6 -3.989 -0.864 0.399 1.00 0.00 C ATOM 91 O GLU A 6 -2.940 -1.307 0.865 1.00 0.00 O ATOM 92 CB GLU A 6 -5.358 -2.929 0.873 1.00 0.00 C ATOM 93 CG GLU A 6 -6.800 -3.422 0.738 1.00 0.00 C ATOM 94 CD GLU A 6 -7.339 -3.916 2.082 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.499 -4.170 2.972 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.579 -4.032 2.188 1.00 0.00 O ATOM 0 H GLU A 6 -3.681 -2.663 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.981 -1.249 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.670 -3.759 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.189 -2.563 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.430 -2.615 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.845 -4.228 0.006 1.00 0.00 H new ATOM 103 N SER A 7 -4.289 0.424 0.314 1.00 0.00 N ATOM 104 CA SER A 7 -3.364 1.440 0.781 1.00 0.00 C ATOM 105 C SER A 7 -2.686 0.977 2.073 1.00 0.00 C ATOM 106 O SER A 7 -3.247 0.178 2.820 1.00 0.00 O ATOM 107 CB SER A 7 -4.079 2.774 1.007 1.00 0.00 C ATOM 108 OG SER A 7 -3.727 3.364 2.255 1.00 0.00 O ATOM 0 H SER A 7 -5.161 0.786 -0.072 1.00 0.00 H new ATOM 0 HA SER A 7 -2.605 1.590 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.829 3.461 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.157 2.618 0.971 1.00 0.00 H new ATOM 0 HG SER A 7 -4.409 4.020 2.511 1.00 0.00 H new ATOM 114 N CYS A 8 -1.489 1.499 2.296 1.00 0.00 N ATOM 115 CA CYS A 8 -0.729 1.148 3.484 1.00 0.00 C ATOM 116 C CYS A 8 -0.509 2.420 4.306 1.00 0.00 C ATOM 117 O CYS A 8 0.221 2.405 5.296 1.00 0.00 O ATOM 118 CB CYS A 8 0.592 0.462 3.128 1.00 0.00 C ATOM 119 SG CYS A 8 1.113 0.657 1.385 1.00 0.00 S ATOM 0 H CYS A 8 -1.027 2.162 1.674 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.289 0.425 4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.376 0.858 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.504 -0.602 3.349 1.00 0.00 H new ATOM 124 N LEU A 9 -1.151 3.491 3.863 1.00 0.00 N ATOM 125 CA LEU A 9 -1.035 4.770 4.544 1.00 0.00 C ATOM 126 C LEU A 9 -1.109 4.544 6.056 1.00 0.00 C ATOM 127 O LEU A 9 -2.106 4.033 6.562 1.00 0.00 O ATOM 128 CB LEU A 9 -2.079 5.755 4.016 1.00 0.00 C ATOM 129 CG LEU A 9 -1.562 6.834 3.063 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.719 7.607 2.430 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.571 7.762 3.769 1.00 0.00 C ATOM 0 H LEU A 9 -1.754 3.500 3.040 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.068 5.227 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.857 5.189 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.550 6.246 4.868 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.022 6.343 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.323 8.368 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.352 6.920 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.308 8.086 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.219 8.519 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.064 8.248 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.277 7.181 4.131 1.00 0.00 H new ATOM 143 N GLY A 10 -0.039 4.938 6.734 1.00 0.00 N ATOM 144 CA GLY A 10 0.028 4.786 8.177 1.00 0.00 C ATOM 145 C GLY A 10 -0.630 3.478 8.623 1.00 0.00 C ATOM 146 O GLY A 10 -1.376 3.455 9.599 1.00 0.00 O ATOM 0 H GLY A 10 0.787 5.361 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.069 4.802 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.468 5.629 8.658 1.00 0.00 H new ATOM 150 N GLN A 11 -0.327 2.420 7.883 1.00 0.00 N ATOM 151 CA GLN A 11 -0.879 1.111 8.191 1.00 0.00 C ATOM 152 C GLN A 11 -0.161 0.502 9.397 1.00 0.00 C ATOM 153 O GLN A 11 1.063 0.559 9.490 1.00 0.00 O ATOM 154 CB GLN A 11 -0.797 0.183 6.977 1.00 0.00 C ATOM 155 CG GLN A 11 0.546 -0.551 6.939 1.00 0.00 C ATOM 156 CD GLN A 11 0.684 -1.374 5.657 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.405 -2.067 5.338 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 1.712 -1.377 4.998 1.00 0.00 N flip ATOM 0 H GLN A 11 0.292 2.443 7.073 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.932 1.232 8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.611 -0.541 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.925 0.762 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.361 0.170 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.632 -1.205 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.513 -0.822 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.770 -1.935 4.146 1.00 0.00 H new ATOM 167 N GLN A 12 -0.956 -0.068 10.292 1.00 0.00 N ATOM 168 CA GLN A 12 -0.413 -0.687 11.489 1.00 0.00 C ATOM 169 C GLN A 12 -0.233 -2.192 11.273 1.00 0.00 C ATOM 170 O GLN A 12 0.405 -2.865 12.080 1.00 0.00 O ATOM 171 CB GLN A 12 -1.301 -0.410 12.703 1.00 0.00 C ATOM 172 CG GLN A 12 -0.741 0.740 13.542 1.00 0.00 C ATOM 173 CD GLN A 12 -1.190 2.093 12.988 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.369 2.378 12.854 1.00 0.00 O ATOM 175 NE2 GLN A 12 -0.189 2.909 12.674 1.00 0.00 N ATOM 0 H GLN A 12 -1.972 -0.114 10.212 1.00 0.00 H new ATOM 0 HA GLN A 12 0.564 -0.248 11.689 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.310 -0.165 12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.376 -1.309 13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.074 0.637 14.575 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.348 0.691 13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.776 2.608 12.811 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.386 3.836 12.296 1.00 0.00 H new ATOM 184 N VAL A 13 -0.807 -2.674 10.181 1.00 0.00 N ATOM 185 CA VAL A 13 -0.719 -4.085 9.849 1.00 0.00 C ATOM 186 C VAL A 13 0.093 -4.251 8.562 1.00 0.00 C ATOM 187 O VAL A 13 0.127 -3.353 7.724 1.00 0.00 O ATOM 188 CB VAL A 13 -2.121 -4.689 9.753 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.361 -5.696 10.881 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.189 -3.595 9.757 1.00 0.00 C ATOM 0 H VAL A 13 -1.335 -2.111 9.514 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.198 -4.631 10.636 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.193 -5.224 8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.365 -6.111 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.628 -6.500 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.261 -5.195 11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.177 -4.051 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.118 -3.021 10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.035 -2.933 8.905 1.00 0.00 H new ATOM 200 N PRO A 14 0.746 -5.439 8.444 1.00 0.00 N ATOM 201 CA PRO A 14 1.555 -5.736 7.274 1.00 0.00 C ATOM 202 C PRO A 14 0.673 -6.060 6.066 1.00 0.00 C ATOM 203 O PRO A 14 -0.552 -6.021 6.158 1.00 0.00 O ATOM 204 CB PRO A 14 2.439 -6.899 7.693 1.00 0.00 C ATOM 205 CG PRO A 14 1.774 -7.511 8.914 1.00 0.00 C ATOM 206 CD PRO A 14 0.728 -6.528 9.416 1.00 0.00 C ATOM 0 HA PRO A 14 2.160 -4.888 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.529 -7.630 6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.447 -6.558 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.311 -8.464 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.512 -7.713 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.257 -6.992 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.969 -6.170 10.417 1.00 0.00 H new ATOM 214 N CYS A 15 1.333 -6.371 4.960 1.00 0.00 N ATOM 215 CA CYS A 15 0.625 -6.700 3.733 1.00 0.00 C ATOM 216 C CYS A 15 0.567 -8.224 3.608 1.00 0.00 C ATOM 217 O CYS A 15 1.602 -8.888 3.578 1.00 0.00 O ATOM 218 CB CYS A 15 1.277 -6.051 2.512 1.00 0.00 C ATOM 219 SG CYS A 15 0.115 -5.595 1.173 1.00 0.00 S ATOM 0 H CYS A 15 2.350 -6.402 4.887 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.388 -6.300 3.775 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.808 -5.155 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.023 -6.736 2.109 1.00 0.00 H new ATOM 224 N CYS A 16 -0.654 -8.734 3.536 1.00 0.00 N ATOM 225 CA CYS A 16 -0.860 -10.168 3.414 1.00 0.00 C ATOM 226 C CYS A 16 -0.014 -10.677 2.246 1.00 0.00 C ATOM 227 O CYS A 16 0.389 -11.839 2.227 1.00 0.00 O ATOM 228 CB CYS A 16 -2.341 -10.513 3.240 1.00 0.00 C ATOM 229 SG CYS A 16 -3.184 -11.068 4.765 1.00 0.00 S ATOM 0 H CYS A 16 -1.510 -8.180 3.560 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.544 -10.663 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.861 -9.636 2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.431 -11.296 2.487 1.00 0.00 H new ATOM 234 N ASP A 17 0.231 -9.781 1.301 1.00 0.00 N ATOM 235 CA ASP A 17 1.023 -10.126 0.131 1.00 0.00 C ATOM 236 C ASP A 17 2.501 -9.860 0.425 1.00 0.00 C ATOM 237 O ASP A 17 2.896 -8.718 0.657 1.00 0.00 O ATOM 238 CB ASP A 17 0.620 -9.276 -1.076 1.00 0.00 C ATOM 239 CG ASP A 17 -0.788 -9.539 -1.610 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.739 -9.014 -0.990 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.883 -10.260 -2.627 1.00 0.00 O ATOM 0 H ASP A 17 -0.104 -8.818 1.321 1.00 0.00 H new ATOM 0 HA ASP A 17 0.851 -11.178 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.698 -8.224 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.336 -9.450 -1.879 1.00 0.00 H new ATOM 246 N PRO A 18 3.298 -10.963 0.406 1.00 0.00 N ATOM 247 CA PRO A 18 4.723 -10.859 0.667 1.00 0.00 C ATOM 248 C PRO A 18 5.459 -10.263 -0.534 1.00 0.00 C ATOM 249 O PRO A 18 6.484 -9.602 -0.374 1.00 0.00 O ATOM 250 CB PRO A 18 5.167 -12.276 0.992 1.00 0.00 C ATOM 251 CG PRO A 18 4.079 -13.188 0.449 1.00 0.00 C ATOM 252 CD PRO A 18 2.864 -12.330 0.136 1.00 0.00 C ATOM 0 HA PRO A 18 4.951 -10.184 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.129 -12.499 0.532 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.289 -12.410 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.424 -13.702 -0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.826 -13.957 1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.552 -12.449 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.013 -12.606 0.759 1.00 0.00 H new ATOM 260 N ALA A 19 4.908 -10.519 -1.713 1.00 0.00 N ATOM 261 CA ALA A 19 5.499 -10.016 -2.940 1.00 0.00 C ATOM 262 C ALA A 19 4.851 -8.678 -3.303 1.00 0.00 C ATOM 263 O ALA A 19 4.679 -8.368 -4.482 1.00 0.00 O ATOM 264 CB ALA A 19 5.342 -11.061 -4.048 1.00 0.00 C ATOM 0 H ALA A 19 4.058 -11.068 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 19 6.566 -9.839 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.786 -10.684 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.845 -11.982 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.283 -11.262 -4.211 1.00 0.00 H new ATOM 270 N ALA A 20 4.508 -7.924 -2.270 1.00 0.00 N ATOM 271 CA ALA A 20 3.882 -6.627 -2.465 1.00 0.00 C ATOM 272 C ALA A 20 4.897 -5.524 -2.161 1.00 0.00 C ATOM 273 O ALA A 20 5.857 -5.745 -1.423 1.00 0.00 O ATOM 274 CB ALA A 20 2.631 -6.527 -1.591 1.00 0.00 C ATOM 0 H ALA A 20 4.652 -8.186 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 20 3.565 -6.506 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.162 -5.554 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.929 -7.314 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.909 -6.642 -0.543 1.00 0.00 H new ATOM 280 N THR A 21 4.652 -4.360 -2.743 1.00 0.00 N ATOM 281 CA THR A 21 5.532 -3.222 -2.544 1.00 0.00 C ATOM 282 C THR A 21 4.719 -1.970 -2.210 1.00 0.00 C ATOM 283 O THR A 21 4.108 -1.370 -3.094 1.00 0.00 O ATOM 284 CB THR A 21 6.399 -3.069 -3.794 1.00 0.00 C ATOM 285 OG1 THR A 21 6.157 -1.731 -4.223 1.00 0.00 O ATOM 286 CG2 THR A 21 5.904 -3.928 -4.959 1.00 0.00 C ATOM 0 H THR A 21 3.855 -4.180 -3.354 1.00 0.00 H new ATOM 0 HA THR A 21 6.193 -3.378 -1.691 1.00 0.00 H new ATOM 0 HB THR A 21 7.428 -3.338 -3.556 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.192 -1.586 -4.314 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.555 -3.782 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.918 -4.978 -4.668 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.886 -3.637 -5.219 1.00 0.00 H new ATOM 294 N CYS A 22 4.735 -1.613 -0.935 1.00 0.00 N ATOM 295 CA CYS A 22 4.007 -0.445 -0.475 1.00 0.00 C ATOM 296 C CYS A 22 4.587 0.789 -1.172 1.00 0.00 C ATOM 297 O CYS A 22 5.402 1.507 -0.593 1.00 0.00 O ATOM 298 CB CYS A 22 4.051 -0.312 1.048 1.00 0.00 C ATOM 299 SG CYS A 22 3.142 1.126 1.722 1.00 0.00 S ATOM 0 H CYS A 22 5.242 -2.114 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 22 2.953 -0.547 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.643 -1.221 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.093 -0.245 1.362 1.00 0.00 H new ATOM 304 N TYR A 23 4.145 0.996 -2.403 1.00 0.00 N ATOM 305 CA TYR A 23 4.610 2.129 -3.184 1.00 0.00 C ATOM 306 C TYR A 23 3.661 3.321 -3.041 1.00 0.00 C ATOM 307 O TYR A 23 2.449 3.144 -2.927 1.00 0.00 O ATOM 308 CB TYR A 23 4.609 1.665 -4.642 1.00 0.00 C ATOM 309 CG TYR A 23 5.553 2.458 -5.548 1.00 0.00 C ATOM 310 CD1 TYR A 23 5.217 3.738 -5.943 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.740 1.896 -5.971 1.00 0.00 C ATOM 312 CE1 TYR A 23 6.104 4.485 -6.797 1.00 0.00 C ATOM 313 CE2 TYR A 23 7.628 2.643 -6.823 1.00 0.00 C ATOM 314 CZ TYR A 23 7.267 3.901 -7.194 1.00 0.00 C ATOM 315 OH TYR A 23 8.105 4.606 -7.999 1.00 0.00 O ATOM 0 H TYR A 23 3.470 0.398 -2.879 1.00 0.00 H new ATOM 0 HA TYR A 23 5.596 2.448 -2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.887 0.612 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.595 1.740 -5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.289 4.179 -5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.003 0.895 -5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.852 5.486 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.560 2.214 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 23 8.896 4.065 -8.201 1.00 0.00 H new ATOM 325 N CYS A 24 4.248 4.509 -3.052 1.00 0.00 N ATOM 326 CA CYS A 24 3.471 5.729 -2.924 1.00 0.00 C ATOM 327 C CYS A 24 3.764 6.614 -4.137 1.00 0.00 C ATOM 328 O CYS A 24 4.913 6.984 -4.377 1.00 0.00 O ATOM 329 CB CYS A 24 3.762 6.451 -1.607 1.00 0.00 C ATOM 330 SG CYS A 24 4.272 5.359 -0.230 1.00 0.00 S ATOM 0 H CYS A 24 5.253 4.652 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 24 2.409 5.485 -2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.547 7.187 -1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.870 7.000 -1.305 1.00 0.00 H new ATOM 335 N ARG A 25 2.706 6.931 -4.870 1.00 0.00 N ATOM 336 CA ARG A 25 2.836 7.766 -6.051 1.00 0.00 C ATOM 337 C ARG A 25 3.303 9.170 -5.660 1.00 0.00 C ATOM 338 O ARG A 25 4.409 9.579 -6.007 1.00 0.00 O ATOM 339 CB ARG A 25 1.506 7.868 -6.802 1.00 0.00 C ATOM 340 CG ARG A 25 1.532 9.022 -7.807 1.00 0.00 C ATOM 341 CD ARG A 25 2.836 9.024 -8.606 1.00 0.00 C ATOM 342 NE ARG A 25 3.207 7.639 -8.975 1.00 0.00 N ATOM 343 CZ ARG A 25 3.954 7.319 -10.040 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.414 8.283 -10.849 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.240 6.036 -10.297 1.00 0.00 N ATOM 0 H ARG A 25 1.755 6.624 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 25 3.575 7.303 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.305 6.932 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.693 8.018 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.685 8.936 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.423 9.970 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.720 9.630 -9.505 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.633 9.478 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 25 2.873 6.880 -8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.195 9.260 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.983 8.040 -11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.889 5.302 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.809 5.793 -11.108 1.00 0.00 H new ATOM 359 N PHE A 26 2.435 9.869 -4.943 1.00 0.00 N ATOM 360 CA PHE A 26 2.744 11.218 -4.502 1.00 0.00 C ATOM 361 C PHE A 26 3.634 11.197 -3.258 1.00 0.00 C ATOM 362 O PHE A 26 4.335 10.217 -3.008 1.00 0.00 O ATOM 363 CB PHE A 26 1.415 11.890 -4.153 1.00 0.00 C ATOM 364 CG PHE A 26 1.335 13.362 -4.558 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.476 14.073 -4.762 1.00 0.00 C ATOM 366 CD2 PHE A 26 0.124 13.960 -4.716 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.403 15.441 -5.140 1.00 0.00 C ATOM 368 CE2 PHE A 26 0.051 15.327 -5.093 1.00 0.00 C ATOM 369 CZ PHE A 26 1.192 16.038 -5.297 1.00 0.00 C ATOM 0 H PHE A 26 1.518 9.526 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 26 3.276 11.754 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.606 11.346 -4.640 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.251 11.810 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.438 13.598 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.782 13.395 -4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.309 16.006 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.911 15.802 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.136 17.078 -5.584 1.00 0.00 H new ATOM 379 N PHE A 27 3.577 12.289 -2.510 1.00 0.00 N ATOM 380 CA PHE A 27 4.370 12.409 -1.298 1.00 0.00 C ATOM 381 C PHE A 27 3.748 11.604 -0.155 1.00 0.00 C ATOM 382 O PHE A 27 4.359 10.665 0.352 1.00 0.00 O ATOM 383 CB PHE A 27 4.382 13.890 -0.916 1.00 0.00 C ATOM 384 CG PHE A 27 5.619 14.319 -0.123 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.860 13.982 -0.563 1.00 0.00 C ATOM 386 CD2 PHE A 27 5.475 15.036 1.024 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.007 14.379 0.172 1.00 0.00 C ATOM 388 CE2 PHE A 27 6.623 15.431 1.761 1.00 0.00 C ATOM 389 CZ PHE A 27 7.864 15.095 1.320 1.00 0.00 C ATOM 0 H PHE A 27 2.994 13.099 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 27 5.376 12.026 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.320 14.489 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.491 14.110 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.973 13.411 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.489 15.305 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.993 14.113 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.510 15.999 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.736 15.396 1.881 1.00 0.00 H new ATOM 399 N ASN A 28 2.540 12.002 0.218 1.00 0.00 N ATOM 400 CA ASN A 28 1.831 11.331 1.292 1.00 0.00 C ATOM 401 C ASN A 28 0.330 11.341 0.989 1.00 0.00 C ATOM 402 O ASN A 28 -0.417 12.131 1.564 1.00 0.00 O ATOM 403 CB ASN A 28 2.047 12.044 2.627 1.00 0.00 C ATOM 404 CG ASN A 28 1.989 11.056 3.794 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.883 10.253 4.005 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.890 11.158 4.536 1.00 0.00 N ATOM 0 H ASN A 28 2.035 12.781 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 28 2.213 10.312 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.013 12.549 2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.286 12.813 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.757 10.541 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.180 11.853 4.304 1.00 0.00 H new ATOM 413 N ALA A 29 -0.065 10.454 0.089 1.00 0.00 N ATOM 414 CA ALA A 29 -1.462 10.351 -0.298 1.00 0.00 C ATOM 415 C ALA A 29 -1.737 8.944 -0.832 1.00 0.00 C ATOM 416 O ALA A 29 -2.307 8.110 -0.129 1.00 0.00 O ATOM 417 CB ALA A 29 -1.790 11.438 -1.323 1.00 0.00 C ATOM 0 H ALA A 29 0.558 9.799 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.111 10.509 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.838 11.360 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.607 12.419 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.160 11.310 -2.203 1.00 0.00 H new ATOM 423 N PHE A 30 -1.320 8.722 -2.070 1.00 0.00 N ATOM 424 CA PHE A 30 -1.513 7.431 -2.705 1.00 0.00 C ATOM 425 C PHE A 30 -0.360 6.481 -2.379 1.00 0.00 C ATOM 426 O PHE A 30 0.735 6.620 -2.923 1.00 0.00 O ATOM 427 CB PHE A 30 -1.546 7.675 -4.215 1.00 0.00 C ATOM 428 CG PHE A 30 -2.956 7.817 -4.792 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.980 8.224 -3.994 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.187 7.536 -6.103 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.288 8.356 -4.529 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.494 7.667 -6.637 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.518 8.075 -5.840 1.00 0.00 C ATOM 0 H PHE A 30 -0.849 9.416 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.436 6.975 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.980 8.579 -4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.040 6.850 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.798 8.447 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.375 7.213 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.101 8.679 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.677 7.443 -7.678 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.513 8.176 -6.248 1.00 0.00 H new ATOM 443 N CYS A 31 -0.644 5.536 -1.496 1.00 0.00 N ATOM 444 CA CYS A 31 0.357 4.562 -1.092 1.00 0.00 C ATOM 445 C CYS A 31 -0.350 3.235 -0.813 1.00 0.00 C ATOM 446 O CYS A 31 -1.165 3.142 0.104 1.00 0.00 O ATOM 447 CB CYS A 31 1.161 5.046 0.118 1.00 0.00 C ATOM 448 SG CYS A 31 2.786 4.235 0.334 1.00 0.00 S ATOM 0 H CYS A 31 -1.553 5.423 -1.048 1.00 0.00 H new ATOM 0 HA CYS A 31 1.081 4.425 -1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.317 6.121 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.568 4.885 1.018 1.00 0.00 H new ATOM 453 N TYR A 32 -0.011 2.240 -1.620 1.00 0.00 N ATOM 454 CA TYR A 32 -0.602 0.922 -1.472 1.00 0.00 C ATOM 455 C TYR A 32 0.401 -0.174 -1.837 1.00 0.00 C ATOM 456 O TYR A 32 1.530 0.119 -2.234 1.00 0.00 O ATOM 457 CB TYR A 32 -1.773 0.872 -2.455 1.00 0.00 C ATOM 458 CG TYR A 32 -1.624 1.818 -3.649 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.883 1.431 -4.747 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.232 3.057 -3.626 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.745 2.323 -5.870 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.092 3.948 -4.749 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.354 3.536 -5.815 1.00 0.00 C ATOM 464 OH TYR A 32 -1.223 4.378 -6.876 1.00 0.00 O ATOM 0 H TYR A 32 0.666 2.321 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.914 0.756 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.881 -0.148 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.692 1.117 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.408 0.461 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.812 3.358 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.170 2.033 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.562 4.920 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.712 5.208 -6.697 1.00 0.00 H new ATOM 474 N CYS A 33 -0.043 -1.413 -1.691 1.00 0.00 N ATOM 475 CA CYS A 33 0.801 -2.554 -2.001 1.00 0.00 C ATOM 476 C CYS A 33 0.745 -2.798 -3.509 1.00 0.00 C ATOM 477 O CYS A 33 -0.328 -3.028 -4.066 1.00 0.00 O ATOM 478 CB CYS A 33 0.391 -3.795 -1.206 1.00 0.00 C ATOM 479 SG CYS A 33 1.308 -4.044 0.357 1.00 0.00 S ATOM 0 H CYS A 33 -0.978 -1.652 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 33 1.828 -2.339 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.673 -3.729 -0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.529 -4.674 -1.835 1.00 0.00 H new ATOM 484 N ARG A 34 1.915 -2.739 -4.131 1.00 0.00 N ATOM 485 CA ARG A 34 2.012 -2.950 -5.565 1.00 0.00 C ATOM 486 C ARG A 34 2.404 -4.400 -5.862 1.00 0.00 C ATOM 487 O ARG A 34 2.981 -5.076 -5.013 1.00 0.00 O ATOM 488 CB ARG A 34 3.044 -2.010 -6.192 1.00 0.00 C ATOM 489 CG ARG A 34 2.964 -2.050 -7.720 1.00 0.00 C ATOM 490 CD ARG A 34 4.352 -2.242 -8.336 1.00 0.00 C ATOM 491 NE ARG A 34 4.347 -3.418 -9.234 1.00 0.00 N ATOM 492 CZ ARG A 34 4.412 -4.687 -8.812 1.00 0.00 C ATOM 493 NH1 ARG A 34 4.485 -4.954 -7.500 1.00 0.00 N ATOM 494 NH2 ARG A 34 4.402 -5.692 -9.699 1.00 0.00 N ATOM 0 H ARG A 34 2.803 -2.548 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 34 1.035 -2.738 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.874 -0.992 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.045 -2.295 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.308 -2.862 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.523 -1.124 -8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.639 -1.350 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.093 -2.378 -7.548 1.00 0.00 H new ATOM 0 HE ARG A 34 4.290 -3.251 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.491 -4.190 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.535 -5.921 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.345 -5.491 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.452 -6.658 -9.376 1.00 0.00 H new