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+ -160:sc= -0.149 (180deg=-0.899) USER MOD Single : A 5 HIS : no HD1:sc= -0.0337 K(o=-0.034,f=-1.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0.194 USER MOD Single : A 11 GLN :FLIP amide:sc= -7.61! C(o=-11!,f=-7.6!) USER MOD Single : A 12 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 21 THR OG1 : rot 19:sc= 0.885 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.38) USER MOD Single : A 32 TYR OH : rot 130:sc= -0.064 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.802 -8.093 8.237 1.00 0.00 N ATOM 2 CA CYS A 1 -2.863 -7.778 7.174 1.00 0.00 C ATOM 3 C CYS A 1 -3.533 -6.793 6.215 1.00 0.00 C ATOM 4 O CYS A 1 -4.640 -6.320 6.478 1.00 0.00 O ATOM 5 CB CYS A 1 -2.380 -9.037 6.453 1.00 0.00 C ATOM 6 SG CYS A 1 -3.712 -10.084 5.763 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.285 -8.471 9.056 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.312 -7.231 8.517 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.483 -8.803 7.900 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.971 -7.318 7.600 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.713 -8.742 5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.791 -9.634 7.149 1.00 0.00 H new ATOM 11 N VAL A 2 -2.840 -6.512 5.123 1.00 0.00 N ATOM 12 CA VAL A 2 -3.355 -5.593 4.124 1.00 0.00 C ATOM 13 C VAL A 2 -3.135 -6.185 2.729 1.00 0.00 C ATOM 14 O VAL A 2 -2.154 -6.889 2.498 1.00 0.00 O ATOM 15 CB VAL A 2 -2.708 -4.216 4.296 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.483 -3.543 2.941 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.549 -3.329 5.217 1.00 0.00 C ATOM 0 H VAL A 2 -1.924 -6.906 4.908 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.428 -5.453 4.253 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.734 -4.358 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.022 -2.567 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.827 -4.164 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.439 -3.418 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.069 -2.356 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.543 -3.198 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.636 -3.800 6.196 1.00 0.00 H new ATOM 27 N ARG A 3 -4.066 -5.879 1.838 1.00 0.00 N ATOM 28 CA ARG A 3 -3.986 -6.371 0.474 1.00 0.00 C ATOM 29 C ARG A 3 -3.116 -5.444 -0.376 1.00 0.00 C ATOM 30 O ARG A 3 -2.866 -4.300 0.002 1.00 0.00 O ATOM 31 CB ARG A 3 -5.376 -6.474 -0.157 1.00 0.00 C ATOM 32 CG ARG A 3 -5.968 -7.869 0.044 1.00 0.00 C ATOM 33 CD ARG A 3 -5.395 -8.861 -0.970 1.00 0.00 C ATOM 34 NE ARG A 3 -4.245 -9.580 -0.379 1.00 0.00 N ATOM 35 CZ ARG A 3 -3.660 -10.649 -0.938 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.112 -11.127 -2.105 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.622 -11.239 -0.331 1.00 0.00 N ATOM 0 H ARG A 3 -4.880 -5.296 2.034 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.539 -7.365 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.036 -5.728 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.313 -6.252 -1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.756 -8.215 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.052 -7.826 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.164 -9.573 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.081 -8.333 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.874 -9.241 0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.902 -10.678 -2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.667 -11.940 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.276 -10.875 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.177 -12.052 -0.757 1.00 0.00 H new ATOM 51 N LEU A 4 -2.675 -5.972 -1.509 1.00 0.00 N ATOM 52 CA LEU A 4 -1.836 -5.207 -2.415 1.00 0.00 C ATOM 53 C LEU A 4 -2.553 -3.907 -2.791 1.00 0.00 C ATOM 54 O LEU A 4 -1.987 -2.823 -2.661 1.00 0.00 O ATOM 55 CB LEU A 4 -1.435 -6.058 -3.621 1.00 0.00 C ATOM 56 CG LEU A 4 -0.321 -5.489 -4.503 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.554 -6.609 -5.072 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.894 -4.594 -5.603 1.00 0.00 C ATOM 0 H LEU A 4 -2.883 -6.921 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.903 -4.928 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.122 -7.038 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.318 -6.214 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 4 0.320 -4.863 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.338 -6.178 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.008 -7.168 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.059 -7.280 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.081 -4.203 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.572 -5.175 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.438 -3.765 -5.151 1.00 0.00 H new ATOM 70 N HIS A 5 -3.786 -4.061 -3.249 1.00 0.00 N ATOM 71 CA HIS A 5 -4.586 -2.913 -3.645 1.00 0.00 C ATOM 72 C HIS A 5 -5.281 -2.323 -2.415 1.00 0.00 C ATOM 73 O HIS A 5 -6.473 -2.025 -2.454 1.00 0.00 O ATOM 74 CB HIS A 5 -5.567 -3.291 -4.755 1.00 0.00 C ATOM 75 CG HIS A 5 -5.003 -3.144 -6.149 1.00 0.00 C ATOM 76 ND1 HIS A 5 -3.851 -3.792 -6.563 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.444 -2.422 -7.217 1.00 0.00 C ATOM 78 CE1 HIS A 5 -3.619 -3.464 -7.825 1.00 0.00 C ATOM 79 NE2 HIS A 5 -4.608 -2.615 -8.229 1.00 0.00 N ATOM 0 H HIS A 5 -4.251 -4.962 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.939 -2.140 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.884 -4.324 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.457 -2.668 -4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.325 -1.798 -7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -2.792 -3.808 -8.429 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.691 -2.198 -9.156 1.00 0.00 H new ATOM 88 N GLU A 6 -4.504 -2.173 -1.352 1.00 0.00 N ATOM 89 CA GLU A 6 -5.030 -1.625 -0.113 1.00 0.00 C ATOM 90 C GLU A 6 -3.991 -0.718 0.549 1.00 0.00 C ATOM 91 O GLU A 6 -2.982 -1.197 1.065 1.00 0.00 O ATOM 92 CB GLU A 6 -5.469 -2.741 0.837 1.00 0.00 C ATOM 93 CG GLU A 6 -6.883 -3.220 0.504 1.00 0.00 C ATOM 94 CD GLU A 6 -7.581 -3.778 1.746 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.883 -4.451 2.535 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.796 -3.519 1.879 1.00 0.00 O ATOM 0 H GLU A 6 -3.515 -2.421 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.910 -1.026 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.773 -3.577 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.436 -2.382 1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.464 -2.393 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.838 -3.988 -0.268 1.00 0.00 H new ATOM 103 N SER A 7 -4.274 0.577 0.514 1.00 0.00 N ATOM 104 CA SER A 7 -3.377 1.554 1.104 1.00 0.00 C ATOM 105 C SER A 7 -2.774 0.999 2.397 1.00 0.00 C ATOM 106 O SER A 7 -3.354 0.117 3.028 1.00 0.00 O ATOM 107 CB SER A 7 -4.103 2.872 1.382 1.00 0.00 C ATOM 108 OG SER A 7 -3.699 3.455 2.618 1.00 0.00 O ATOM 0 H SER A 7 -5.112 0.971 0.086 1.00 0.00 H new ATOM 0 HA SER A 7 -2.576 1.754 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.907 3.572 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.179 2.697 1.399 1.00 0.00 H new ATOM 0 HG SER A 7 -4.184 4.295 2.758 1.00 0.00 H new ATOM 114 N CYS A 8 -1.616 1.538 2.752 1.00 0.00 N ATOM 115 CA CYS A 8 -0.929 1.108 3.957 1.00 0.00 C ATOM 116 C CYS A 8 -0.669 2.339 4.827 1.00 0.00 C ATOM 117 O CYS A 8 0.010 2.250 5.848 1.00 0.00 O ATOM 118 CB CYS A 8 0.363 0.355 3.633 1.00 0.00 C ATOM 119 SG CYS A 8 0.990 0.603 1.932 1.00 0.00 S ATOM 0 H CYS A 8 -1.137 2.269 2.226 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.555 0.404 4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.134 0.665 4.338 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.196 -0.710 3.792 1.00 0.00 H new ATOM 124 N LEU A 9 -1.224 3.460 4.392 1.00 0.00 N ATOM 125 CA LEU A 9 -1.059 4.708 5.118 1.00 0.00 C ATOM 126 C LEU A 9 -1.241 4.449 6.615 1.00 0.00 C ATOM 127 O LEU A 9 -2.319 4.054 7.055 1.00 0.00 O ATOM 128 CB LEU A 9 -2.000 5.779 4.561 1.00 0.00 C ATOM 129 CG LEU A 9 -1.437 6.646 3.433 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.319 7.872 3.191 1.00 0.00 C ATOM 131 CD2 LEU A 9 0.017 7.031 3.711 1.00 0.00 C ATOM 0 H LEU A 9 -1.789 3.531 3.546 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.051 5.099 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.903 5.288 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.299 6.433 5.380 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.444 6.059 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.896 8.471 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.323 7.549 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.367 8.471 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.393 7.647 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.073 7.592 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.623 6.129 3.794 1.00 0.00 H new ATOM 143 N GLY A 10 -0.167 4.682 7.357 1.00 0.00 N ATOM 144 CA GLY A 10 -0.194 4.479 8.795 1.00 0.00 C ATOM 145 C GLY A 10 -0.926 3.182 9.152 1.00 0.00 C ATOM 146 O GLY A 10 -1.716 3.151 10.095 1.00 0.00 O ATOM 0 H GLY A 10 0.726 5.009 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.825 4.444 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.687 5.324 9.276 1.00 0.00 H new ATOM 150 N GLN A 11 -0.638 2.146 8.380 1.00 0.00 N ATOM 151 CA GLN A 11 -1.260 0.852 8.603 1.00 0.00 C ATOM 152 C GLN A 11 -0.614 0.152 9.802 1.00 0.00 C ATOM 153 O GLN A 11 0.588 0.280 10.027 1.00 0.00 O ATOM 154 CB GLN A 11 -1.175 -0.021 7.349 1.00 0.00 C ATOM 155 CG GLN A 11 0.131 -0.818 7.323 1.00 0.00 C ATOM 156 CD GLN A 11 0.290 -1.566 5.998 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.830 -2.130 5.556 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 1.360 -1.625 5.413 1.00 0.00 N flip ATOM 0 H GLN A 11 0.018 2.176 7.599 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.315 1.012 8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.023 -0.705 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.240 0.606 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.975 -0.144 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.144 -1.528 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.183 -1.169 5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.431 -2.130 4.530 1.00 0.00 H new ATOM 167 N GLN A 12 -1.442 -0.570 10.540 1.00 0.00 N ATOM 168 CA GLN A 12 -0.968 -1.291 11.710 1.00 0.00 C ATOM 169 C GLN A 12 -0.673 -2.749 11.353 1.00 0.00 C ATOM 170 O GLN A 12 0.008 -3.448 12.101 1.00 0.00 O ATOM 171 CB GLN A 12 -1.978 -1.200 12.856 1.00 0.00 C ATOM 172 CG GLN A 12 -1.377 -0.474 14.060 1.00 0.00 C ATOM 173 CD GLN A 12 -0.985 -1.464 15.160 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.820 -2.064 15.816 1.00 0.00 O ATOM 175 NE2 GLN A 12 0.328 -1.600 15.322 1.00 0.00 N ATOM 0 H GLN A 12 -2.439 -0.672 10.351 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.042 -0.827 12.048 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.871 -0.674 12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.291 -2.202 13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.500 0.092 13.747 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.097 0.244 14.452 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.972 -1.067 14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.691 -2.238 16.030 1.00 0.00 H new ATOM 184 N VAL A 13 -1.200 -3.163 10.211 1.00 0.00 N ATOM 185 CA VAL A 13 -1.001 -4.525 9.745 1.00 0.00 C ATOM 186 C VAL A 13 -0.188 -4.503 8.450 1.00 0.00 C ATOM 187 O VAL A 13 -0.320 -3.582 7.645 1.00 0.00 O ATOM 188 CB VAL A 13 -2.351 -5.228 9.593 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.483 -6.385 10.584 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.506 -4.236 9.748 1.00 0.00 C ATOM 0 H VAL A 13 -1.765 -2.579 9.594 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.431 -5.100 10.475 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.400 -5.644 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.452 -6.867 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.690 -7.111 10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.401 -6.003 11.602 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.454 -4.761 9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.461 -3.776 10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.427 -3.463 8.984 1.00 0.00 H new ATOM 200 N PRO A 14 0.657 -5.555 8.284 1.00 0.00 N ATOM 201 CA PRO A 14 1.491 -5.666 7.099 1.00 0.00 C ATOM 202 C PRO A 14 0.665 -6.094 5.885 1.00 0.00 C ATOM 203 O PRO A 14 -0.544 -6.287 5.989 1.00 0.00 O ATOM 204 CB PRO A 14 2.569 -6.674 7.469 1.00 0.00 C ATOM 205 CG PRO A 14 2.034 -7.433 8.671 1.00 0.00 C ATOM 206 CD PRO A 14 0.840 -6.665 9.216 1.00 0.00 C ATOM 0 HA PRO A 14 1.936 -4.715 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.773 -7.350 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.507 -6.173 7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.740 -8.443 8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.806 -7.531 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.049 -7.295 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.028 -6.306 10.228 1.00 0.00 H new ATOM 214 N CYS A 15 1.352 -6.229 4.759 1.00 0.00 N ATOM 215 CA CYS A 15 0.698 -6.630 3.527 1.00 0.00 C ATOM 216 C CYS A 15 0.744 -8.157 3.432 1.00 0.00 C ATOM 217 O CYS A 15 1.823 -8.747 3.380 1.00 0.00 O ATOM 218 CB CYS A 15 1.334 -5.963 2.305 1.00 0.00 C ATOM 219 SG CYS A 15 0.612 -4.344 1.852 1.00 0.00 S ATOM 0 H CYS A 15 2.356 -6.067 4.676 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.340 -6.299 3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.399 -5.830 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.244 -6.637 1.453 1.00 0.00 H new ATOM 224 N CYS A 16 -0.439 -8.753 3.412 1.00 0.00 N ATOM 225 CA CYS A 16 -0.548 -10.199 3.324 1.00 0.00 C ATOM 226 C CYS A 16 0.234 -10.666 2.094 1.00 0.00 C ATOM 227 O CYS A 16 0.782 -11.766 2.084 1.00 0.00 O ATOM 228 CB CYS A 16 -2.007 -10.655 3.280 1.00 0.00 C ATOM 229 SG CYS A 16 -2.585 -11.521 4.785 1.00 0.00 S ATOM 0 H CYS A 16 -1.331 -8.260 3.455 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.121 -10.653 4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.641 -9.784 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.141 -11.316 2.423 1.00 0.00 H new ATOM 234 N ASP A 17 0.259 -9.805 1.088 1.00 0.00 N ATOM 235 CA ASP A 17 0.964 -10.116 -0.145 1.00 0.00 C ATOM 236 C ASP A 17 2.451 -9.804 0.031 1.00 0.00 C ATOM 237 O ASP A 17 2.827 -8.657 0.266 1.00 0.00 O ATOM 238 CB ASP A 17 0.439 -9.271 -1.307 1.00 0.00 C ATOM 239 CG ASP A 17 -0.890 -9.742 -1.902 1.00 0.00 C ATOM 240 OD1 ASP A 17 -0.896 -10.861 -2.458 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.868 -8.973 -1.784 1.00 0.00 O ATOM 0 H ASP A 17 -0.197 -8.893 1.101 1.00 0.00 H new ATOM 0 HA ASP A 17 0.807 -11.172 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.322 -8.243 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.190 -9.261 -2.097 1.00 0.00 H new ATOM 246 N PRO A 18 3.281 -10.874 -0.092 1.00 0.00 N ATOM 247 CA PRO A 18 4.719 -10.728 0.051 1.00 0.00 C ATOM 248 C PRO A 18 5.329 -10.069 -1.189 1.00 0.00 C ATOM 249 O PRO A 18 6.372 -9.420 -1.102 1.00 0.00 O ATOM 250 CB PRO A 18 5.237 -12.137 0.290 1.00 0.00 C ATOM 251 CG PRO A 18 4.139 -13.071 -0.189 1.00 0.00 C ATOM 252 CD PRO A 18 2.872 -12.249 -0.371 1.00 0.00 C ATOM 0 HA PRO A 18 4.995 -10.072 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.164 -12.311 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.455 -12.299 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.424 -13.545 -1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.975 -13.870 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.477 -12.348 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.087 -12.575 0.311 1.00 0.00 H new ATOM 260 N ALA A 19 4.653 -10.256 -2.312 1.00 0.00 N ATOM 261 CA ALA A 19 5.114 -9.689 -3.568 1.00 0.00 C ATOM 262 C ALA A 19 4.503 -8.297 -3.748 1.00 0.00 C ATOM 263 O ALA A 19 4.355 -7.822 -4.874 1.00 0.00 O ATOM 264 CB ALA A 19 4.763 -10.635 -4.717 1.00 0.00 C ATOM 0 H ALA A 19 3.788 -10.793 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 19 6.198 -9.575 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.109 -10.208 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.246 -11.599 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.683 -10.773 -4.757 1.00 0.00 H new ATOM 270 N ALA A 20 4.161 -7.685 -2.625 1.00 0.00 N ATOM 271 CA ALA A 20 3.568 -6.359 -2.645 1.00 0.00 C ATOM 272 C ALA A 20 4.506 -5.374 -1.945 1.00 0.00 C ATOM 273 O ALA A 20 5.022 -5.663 -0.866 1.00 0.00 O ATOM 274 CB ALA A 20 2.184 -6.408 -1.994 1.00 0.00 C ATOM 0 H ALA A 20 4.283 -8.083 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 20 3.434 -6.015 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.739 -5.413 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.547 -7.099 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.279 -6.747 -0.963 1.00 0.00 H new ATOM 280 N THR A 21 4.700 -4.232 -2.587 1.00 0.00 N ATOM 281 CA THR A 21 5.568 -3.203 -2.040 1.00 0.00 C ATOM 282 C THR A 21 4.752 -1.967 -1.654 1.00 0.00 C ATOM 283 O THR A 21 4.190 -1.296 -2.519 1.00 0.00 O ATOM 284 CB THR A 21 6.664 -2.912 -3.067 1.00 0.00 C ATOM 285 OG1 THR A 21 5.957 -2.377 -4.185 1.00 0.00 O ATOM 286 CG2 THR A 21 7.310 -4.188 -3.612 1.00 0.00 C ATOM 0 H THR A 21 4.271 -3.996 -3.482 1.00 0.00 H new ATOM 0 HA THR A 21 6.047 -3.538 -1.120 1.00 0.00 H new ATOM 0 HB THR A 21 7.430 -2.283 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.071 -2.074 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.081 -3.925 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.759 -4.747 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.551 -4.802 -4.097 1.00 0.00 H new ATOM 294 N CYS A 22 4.715 -1.703 -0.356 1.00 0.00 N ATOM 295 CA CYS A 22 3.978 -0.560 0.154 1.00 0.00 C ATOM 296 C CYS A 22 4.671 0.714 -0.333 1.00 0.00 C ATOM 297 O CYS A 22 5.555 1.240 0.342 1.00 0.00 O ATOM 298 CB CYS A 22 3.858 -0.599 1.678 1.00 0.00 C ATOM 299 SG CYS A 22 3.036 0.857 2.421 1.00 0.00 S ATOM 0 H CYS A 22 5.184 -2.261 0.358 1.00 0.00 H new ATOM 0 HA CYS A 22 2.956 -0.584 -0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.306 -1.495 1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.857 -0.692 2.105 1.00 0.00 H new ATOM 304 N TYR A 23 4.243 1.175 -1.499 1.00 0.00 N ATOM 305 CA TYR A 23 4.811 2.377 -2.082 1.00 0.00 C ATOM 306 C TYR A 23 3.716 3.386 -2.433 1.00 0.00 C ATOM 307 O TYR A 23 2.553 3.017 -2.587 1.00 0.00 O ATOM 308 CB TYR A 23 5.509 1.932 -3.370 1.00 0.00 C ATOM 309 CG TYR A 23 4.686 2.170 -4.637 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.369 1.765 -4.690 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.264 2.788 -5.729 1.00 0.00 C ATOM 312 CE1 TYR A 23 2.594 1.989 -5.884 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.489 3.011 -6.922 1.00 0.00 C ATOM 314 CZ TYR A 23 3.193 2.601 -6.940 1.00 0.00 C ATOM 315 OH TYR A 23 2.462 2.811 -8.068 1.00 0.00 O ATOM 0 H TYR A 23 3.509 0.737 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 23 5.493 2.858 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.457 2.463 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.744 0.870 -3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.918 1.280 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.296 3.104 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.561 1.678 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.928 3.493 -7.783 1.00 0.00 H new ATOM 0 HH TYR A 23 3.018 3.258 -8.740 1.00 0.00 H new ATOM 325 N CYS A 24 4.127 4.641 -2.550 1.00 0.00 N ATOM 326 CA CYS A 24 3.195 5.706 -2.881 1.00 0.00 C ATOM 327 C CYS A 24 3.535 6.225 -4.279 1.00 0.00 C ATOM 328 O CYS A 24 4.684 6.562 -4.558 1.00 0.00 O ATOM 329 CB CYS A 24 3.222 6.824 -1.836 1.00 0.00 C ATOM 330 SG CYS A 24 3.588 6.271 -0.130 1.00 0.00 S ATOM 0 H CYS A 24 5.093 4.944 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 24 2.177 5.317 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.968 7.561 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.256 7.329 -1.840 1.00 0.00 H new ATOM 335 N ARG A 25 2.513 6.271 -5.122 1.00 0.00 N ATOM 336 CA ARG A 25 2.689 6.742 -6.486 1.00 0.00 C ATOM 337 C ARG A 25 3.075 8.223 -6.489 1.00 0.00 C ATOM 338 O ARG A 25 4.000 8.626 -7.193 1.00 0.00 O ATOM 339 CB ARG A 25 1.409 6.553 -7.302 1.00 0.00 C ATOM 340 CG ARG A 25 1.585 7.082 -8.727 1.00 0.00 C ATOM 341 CD ARG A 25 1.421 8.603 -8.773 1.00 0.00 C ATOM 342 NE ARG A 25 0.442 9.037 -7.751 1.00 0.00 N ATOM 343 CZ ARG A 25 -0.800 9.454 -8.032 1.00 0.00 C ATOM 344 NH1 ARG A 25 -1.222 9.499 -9.302 1.00 0.00 N ATOM 345 NH2 ARG A 25 -1.621 9.830 -7.040 1.00 0.00 N ATOM 0 H ARG A 25 1.561 5.990 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 25 3.486 6.154 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.146 5.496 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.583 7.073 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.571 6.808 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.853 6.614 -9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.382 9.086 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.086 8.911 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 25 0.731 9.017 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.598 9.216 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.168 9.817 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.300 9.798 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.567 10.148 -7.253 1.00 0.00 H new ATOM 359 N PHE A 26 2.346 8.995 -5.696 1.00 0.00 N ATOM 360 CA PHE A 26 2.600 10.420 -5.598 1.00 0.00 C ATOM 361 C PHE A 26 3.617 10.723 -4.495 1.00 0.00 C ATOM 362 O PHE A 26 4.438 9.873 -4.154 1.00 0.00 O ATOM 363 CB PHE A 26 1.270 11.089 -5.245 1.00 0.00 C ATOM 364 CG PHE A 26 1.086 12.476 -5.864 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.162 13.150 -6.354 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.152 13.035 -5.925 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.991 14.436 -6.929 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.322 14.322 -6.500 1.00 0.00 C ATOM 369 CZ PHE A 26 0.752 14.995 -6.990 1.00 0.00 C ATOM 0 H PHE A 26 1.578 8.658 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 26 3.005 10.790 -6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.453 10.445 -5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.194 11.174 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.145 12.706 -6.305 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.006 12.500 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.844 14.971 -7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.305 14.766 -6.548 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.622 15.974 -7.428 1.00 0.00 H new ATOM 379 N PHE A 27 3.530 11.937 -3.971 1.00 0.00 N ATOM 380 CA PHE A 27 4.434 12.362 -2.914 1.00 0.00 C ATOM 381 C PHE A 27 4.013 11.775 -1.566 1.00 0.00 C ATOM 382 O PHE A 27 4.709 10.925 -1.010 1.00 0.00 O ATOM 383 CB PHE A 27 4.350 13.887 -2.842 1.00 0.00 C ATOM 384 CG PHE A 27 5.712 14.583 -2.796 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.390 14.676 -1.622 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.246 15.111 -3.932 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.654 15.322 -1.579 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.509 15.757 -3.890 1.00 0.00 C ATOM 389 CZ PHE A 27 8.187 15.847 -2.713 1.00 0.00 C ATOM 0 H PHE A 27 2.848 12.640 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 27 5.447 12.020 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.796 14.252 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.780 14.168 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.967 14.258 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.708 15.038 -4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.191 15.396 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.932 16.177 -4.791 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.149 16.336 -2.681 1.00 0.00 H new ATOM 399 N ASN A 28 2.879 12.252 -1.077 1.00 0.00 N ATOM 400 CA ASN A 28 2.357 11.785 0.197 1.00 0.00 C ATOM 401 C ASN A 28 0.828 11.815 0.159 1.00 0.00 C ATOM 402 O ASN A 28 0.204 12.658 0.799 1.00 0.00 O ATOM 403 CB ASN A 28 2.818 12.687 1.344 1.00 0.00 C ATOM 404 CG ASN A 28 2.954 11.892 2.645 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.081 11.135 3.035 1.00 0.00 O ATOM 406 ND2 ASN A 28 4.096 12.108 3.293 1.00 0.00 N ATOM 0 H ASN A 28 2.306 12.958 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 28 2.726 10.773 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.775 13.143 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.104 13.499 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.282 11.626 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.785 12.755 2.910 1.00 0.00 H new ATOM 413 N ALA A 29 0.270 10.881 -0.597 1.00 0.00 N ATOM 414 CA ALA A 29 -1.174 10.789 -0.727 1.00 0.00 C ATOM 415 C ALA A 29 -1.579 9.318 -0.846 1.00 0.00 C ATOM 416 O ALA A 29 -2.030 8.713 0.126 1.00 0.00 O ATOM 417 CB ALA A 29 -1.633 11.617 -1.928 1.00 0.00 C ATOM 0 H ALA A 29 0.792 10.182 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.664 11.196 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.716 11.548 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.348 12.659 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.162 11.236 -2.834 1.00 0.00 H new ATOM 423 N PHE A 30 -1.402 8.782 -2.046 1.00 0.00 N ATOM 424 CA PHE A 30 -1.742 7.394 -2.303 1.00 0.00 C ATOM 425 C PHE A 30 -0.575 6.469 -1.953 1.00 0.00 C ATOM 426 O PHE A 30 0.429 6.435 -2.663 1.00 0.00 O ATOM 427 CB PHE A 30 -2.039 7.278 -3.800 1.00 0.00 C ATOM 428 CG PHE A 30 -3.479 7.632 -4.178 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.228 8.406 -3.349 1.00 0.00 C ATOM 430 CD2 PHE A 30 -4.009 7.173 -5.343 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.565 8.735 -3.699 1.00 0.00 C ATOM 432 CE2 PHE A 30 -5.344 7.501 -5.694 1.00 0.00 C ATOM 433 CZ PHE A 30 -6.095 8.275 -4.865 1.00 0.00 C ATOM 0 H PHE A 30 -1.027 9.285 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.597 7.101 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.360 7.932 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.829 6.258 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.807 8.771 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.413 6.558 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.160 9.350 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.764 7.136 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.111 8.524 -5.132 1.00 0.00 H new ATOM 443 N CYS A 31 -0.746 5.742 -0.860 1.00 0.00 N ATOM 444 CA CYS A 31 0.281 4.819 -0.408 1.00 0.00 C ATOM 445 C CYS A 31 -0.355 3.438 -0.237 1.00 0.00 C ATOM 446 O CYS A 31 -1.186 3.238 0.648 1.00 0.00 O ATOM 447 CB CYS A 31 0.949 5.303 0.881 1.00 0.00 C ATOM 448 SG CYS A 31 1.779 6.928 0.753 1.00 0.00 S ATOM 0 H CYS A 31 -1.580 5.773 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 31 1.075 4.762 -1.152 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.195 5.357 1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.682 4.560 1.194 1.00 0.00 H new ATOM 453 N TYR A 32 0.058 2.520 -1.098 1.00 0.00 N ATOM 454 CA TYR A 32 -0.460 1.164 -1.054 1.00 0.00 C ATOM 455 C TYR A 32 0.616 0.151 -1.449 1.00 0.00 C ATOM 456 O TYR A 32 1.769 0.519 -1.671 1.00 0.00 O ATOM 457 CB TYR A 32 -1.593 1.112 -2.081 1.00 0.00 C ATOM 458 CG TYR A 32 -1.491 2.177 -3.174 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.307 2.351 -3.861 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.584 2.967 -3.471 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.212 3.354 -4.888 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.488 3.971 -4.501 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.307 4.114 -5.158 1.00 0.00 C ATOM 464 OH TYR A 32 -1.217 5.062 -6.129 1.00 0.00 O ATOM 0 H TYR A 32 0.747 2.689 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.795 0.915 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.602 0.127 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.545 1.228 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.548 1.734 -3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.510 2.833 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.709 3.500 -5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.335 4.595 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.970 4.968 -6.749 1.00 0.00 H new ATOM 474 N CYS A 33 0.203 -1.105 -1.524 1.00 0.00 N ATOM 475 CA CYS A 33 1.118 -2.173 -1.889 1.00 0.00 C ATOM 476 C CYS A 33 1.041 -2.376 -3.404 1.00 0.00 C ATOM 477 O CYS A 33 -0.021 -2.695 -3.937 1.00 0.00 O ATOM 478 CB CYS A 33 0.815 -3.464 -1.125 1.00 0.00 C ATOM 479 SG CYS A 33 1.839 -3.731 0.368 1.00 0.00 S ATOM 0 H CYS A 33 -0.753 -1.407 -1.338 1.00 0.00 H new ATOM 0 HA CYS A 33 2.135 -1.894 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.235 -3.458 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.953 -4.309 -1.799 1.00 0.00 H new ATOM 484 N ARG A 34 2.180 -2.184 -4.053 1.00 0.00 N ATOM 485 CA ARG A 34 2.255 -2.340 -5.496 1.00 0.00 C ATOM 486 C ARG A 34 3.193 -3.494 -5.855 1.00 0.00 C ATOM 487 O ARG A 34 3.489 -4.342 -5.016 1.00 0.00 O ATOM 488 CB ARG A 34 2.755 -1.057 -6.164 1.00 0.00 C ATOM 489 CG ARG A 34 2.975 -1.272 -7.663 1.00 0.00 C ATOM 490 CD ARG A 34 1.651 -1.534 -8.381 1.00 0.00 C ATOM 491 NE ARG A 34 1.853 -2.511 -9.476 1.00 0.00 N ATOM 492 CZ ARG A 34 1.800 -3.840 -9.317 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.551 -4.361 -8.108 1.00 0.00 N ATOM 494 NH2 ARG A 34 1.997 -4.648 -10.368 1.00 0.00 N ATOM 0 H ARG A 34 3.059 -1.922 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 34 1.251 -2.556 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.032 -0.256 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.687 -0.739 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.458 -0.394 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.649 -2.114 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.914 -1.915 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.255 -0.601 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 34 2.045 -2.149 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.402 -3.746 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.511 -5.373 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.187 -4.251 -11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.957 -5.660 -10.248 1.00 0.00 H new TER 508 ARG A 34