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+ -141:sc= 0.172 (180deg=-0.0238) USER MOD Single : A 5 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.066) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -6.77! K(o=-6.8!,f=-4.8) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 21 THR OG1 : rot 180:sc= -3.74! 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 130:sc= -0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.073 -8.156 8.298 1.00 0.00 N ATOM 2 CA CYS A 1 -3.095 -7.849 7.268 1.00 0.00 C ATOM 3 C CYS A 1 -3.706 -6.820 6.315 1.00 0.00 C ATOM 4 O CYS A 1 -4.782 -6.286 6.581 1.00 0.00 O ATOM 5 CB CYS A 1 -2.637 -9.109 6.529 1.00 0.00 C ATOM 6 SG CYS A 1 -3.959 -9.989 5.621 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.592 -8.259 9.214 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.768 -7.385 8.357 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.560 -9.044 8.061 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.200 -7.430 7.728 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.852 -8.835 5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.192 -9.795 7.250 1.00 0.00 H new ATOM 11 N VAL A 2 -2.995 -6.573 5.225 1.00 0.00 N ATOM 12 CA VAL A 2 -3.454 -5.618 4.232 1.00 0.00 C ATOM 13 C VAL A 2 -3.283 -6.219 2.835 1.00 0.00 C ATOM 14 O VAL A 2 -2.255 -6.825 2.538 1.00 0.00 O ATOM 15 CB VAL A 2 -2.716 -4.288 4.405 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.458 -3.624 3.050 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.488 -3.351 5.337 1.00 0.00 C ATOM 0 H VAL A 2 -2.103 -7.018 5.008 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.515 -5.406 4.367 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.750 -4.497 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.933 -2.681 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.849 -4.284 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.408 -3.434 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.943 -2.413 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.474 -3.152 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.598 -3.820 6.315 1.00 0.00 H new ATOM 27 N ARG A 3 -4.307 -6.030 2.016 1.00 0.00 N ATOM 28 CA ARG A 3 -4.284 -6.547 0.657 1.00 0.00 C ATOM 29 C ARG A 3 -3.359 -5.697 -0.217 1.00 0.00 C ATOM 30 O ARG A 3 -2.895 -4.639 0.208 1.00 0.00 O ATOM 31 CB ARG A 3 -5.685 -6.554 0.047 1.00 0.00 C ATOM 32 CG ARG A 3 -6.287 -7.961 0.075 1.00 0.00 C ATOM 33 CD ARG A 3 -5.289 -8.995 -0.447 1.00 0.00 C ATOM 34 NE ARG A 3 -4.855 -9.883 0.654 1.00 0.00 N ATOM 35 CZ ARG A 3 -5.517 -10.985 1.037 1.00 0.00 C ATOM 36 NH1 ARG A 3 -6.644 -11.341 0.406 1.00 0.00 N ATOM 37 NH2 ARG A 3 -5.048 -11.729 2.047 1.00 0.00 N ATOM 0 H ARG A 3 -5.158 -5.526 2.267 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.913 -7.571 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.329 -5.868 0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.640 -6.194 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.580 -8.215 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.192 -7.985 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.746 -9.585 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.425 -8.491 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.999 -9.642 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.998 -10.774 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.148 -12.179 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.188 -11.457 2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.551 -12.567 2.339 1.00 0.00 H new ATOM 51 N LEU A 4 -3.119 -6.190 -1.423 1.00 0.00 N ATOM 52 CA LEU A 4 -2.258 -5.490 -2.360 1.00 0.00 C ATOM 53 C LEU A 4 -2.910 -4.162 -2.750 1.00 0.00 C ATOM 54 O LEU A 4 -2.269 -3.114 -2.703 1.00 0.00 O ATOM 55 CB LEU A 4 -1.927 -6.385 -3.556 1.00 0.00 C ATOM 56 CG LEU A 4 -0.744 -5.941 -4.419 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.259 -7.082 -4.605 1.00 0.00 C ATOM 58 CD2 LEU A 4 -1.225 -5.378 -5.759 1.00 0.00 C ATOM 0 H LEU A 4 -3.506 -7.066 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.302 -5.253 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.725 -7.391 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.810 -6.450 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.224 -5.137 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.090 -6.739 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.636 -7.397 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.233 -7.923 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.365 -5.070 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.782 -6.145 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.871 -4.518 -5.582 1.00 0.00 H new ATOM 70 N HIS A 5 -4.179 -4.250 -3.128 1.00 0.00 N ATOM 71 CA HIS A 5 -4.924 -3.069 -3.527 1.00 0.00 C ATOM 72 C HIS A 5 -5.527 -2.401 -2.288 1.00 0.00 C ATOM 73 O HIS A 5 -6.696 -2.023 -2.290 1.00 0.00 O ATOM 74 CB HIS A 5 -5.974 -3.419 -4.581 1.00 0.00 C ATOM 75 CG HIS A 5 -6.143 -2.369 -5.652 1.00 0.00 C ATOM 76 ND1 HIS A 5 -7.365 -2.089 -6.242 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.235 -1.534 -6.233 1.00 0.00 C ATOM 78 CE1 HIS A 5 -7.186 -1.127 -7.136 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.865 -0.785 -7.129 1.00 0.00 N ATOM 0 H HIS A 5 -4.708 -5.121 -3.166 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.251 -2.350 -3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.700 -4.363 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.932 -3.576 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.181 -1.490 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.951 -0.690 -7.760 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.433 -0.071 -7.716 1.00 0.00 H new ATOM 88 N GLU A 6 -4.699 -2.275 -1.261 1.00 0.00 N ATOM 89 CA GLU A 6 -5.135 -1.661 -0.019 1.00 0.00 C ATOM 90 C GLU A 6 -4.047 -0.733 0.526 1.00 0.00 C ATOM 91 O GLU A 6 -3.031 -1.199 1.042 1.00 0.00 O ATOM 92 CB GLU A 6 -5.519 -2.722 1.014 1.00 0.00 C ATOM 93 CG GLU A 6 -6.846 -3.388 0.648 1.00 0.00 C ATOM 94 CD GLU A 6 -7.426 -4.147 1.844 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.019 -3.817 2.978 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.264 -5.041 1.596 1.00 0.00 O ATOM 0 H GLU A 6 -3.728 -2.588 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.024 -1.065 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.734 -3.476 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.598 -2.263 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.556 -2.632 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.695 -4.075 -0.185 1.00 0.00 H new ATOM 103 N SER A 7 -4.294 0.561 0.392 1.00 0.00 N ATOM 104 CA SER A 7 -3.346 1.558 0.863 1.00 0.00 C ATOM 105 C SER A 7 -2.707 1.091 2.172 1.00 0.00 C ATOM 106 O SER A 7 -3.337 0.386 2.958 1.00 0.00 O ATOM 107 CB SER A 7 -4.026 2.915 1.057 1.00 0.00 C ATOM 108 OG SER A 7 -3.553 3.585 2.222 1.00 0.00 O ATOM 0 H SER A 7 -5.137 0.943 -0.036 1.00 0.00 H new ATOM 0 HA SER A 7 -2.569 1.677 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.847 3.539 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.104 2.773 1.132 1.00 0.00 H new ATOM 0 HG SER A 7 -4.009 4.448 2.311 1.00 0.00 H new ATOM 114 N CYS A 8 -1.463 1.505 2.366 1.00 0.00 N ATOM 115 CA CYS A 8 -0.731 1.140 3.567 1.00 0.00 C ATOM 116 C CYS A 8 -0.247 2.424 4.243 1.00 0.00 C ATOM 117 O CYS A 8 0.444 2.371 5.260 1.00 0.00 O ATOM 118 CB CYS A 8 0.426 0.187 3.255 1.00 0.00 C ATOM 119 SG CYS A 8 0.894 0.100 1.489 1.00 0.00 S ATOM 0 H CYS A 8 -0.944 2.090 1.711 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.388 0.599 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.298 0.495 3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.156 -0.813 3.594 1.00 0.00 H new ATOM 124 N LEU A 9 -0.630 3.547 3.654 1.00 0.00 N ATOM 125 CA LEU A 9 -0.244 4.842 4.188 1.00 0.00 C ATOM 126 C LEU A 9 -0.744 4.965 5.628 1.00 0.00 C ATOM 127 O LEU A 9 -1.950 4.966 5.872 1.00 0.00 O ATOM 128 CB LEU A 9 -0.727 5.965 3.269 1.00 0.00 C ATOM 129 CG LEU A 9 -2.090 6.574 3.615 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.956 7.624 4.720 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.770 7.137 2.367 1.00 0.00 C ATOM 0 H LEU A 9 -1.204 3.587 2.812 1.00 0.00 H new ATOM 0 HA LEU A 9 0.842 4.933 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.018 6.761 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.771 5.581 2.250 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.732 5.782 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.937 8.041 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.543 7.159 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.292 8.421 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.735 7.563 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.142 7.912 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.918 6.337 1.641 1.00 0.00 H new ATOM 143 N GLY A 10 0.207 5.063 6.545 1.00 0.00 N ATOM 144 CA GLY A 10 -0.122 5.188 7.955 1.00 0.00 C ATOM 145 C GLY A 10 -0.857 3.942 8.457 1.00 0.00 C ATOM 146 O GLY A 10 -1.677 4.027 9.370 1.00 0.00 O ATOM 0 H GLY A 10 1.206 5.058 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.790 5.335 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.744 6.069 8.111 1.00 0.00 H new ATOM 150 N GLN A 11 -0.535 2.814 7.840 1.00 0.00 N ATOM 151 CA GLN A 11 -1.153 1.553 8.213 1.00 0.00 C ATOM 152 C GLN A 11 -0.574 1.049 9.535 1.00 0.00 C ATOM 153 O GLN A 11 0.373 1.629 10.064 1.00 0.00 O ATOM 154 CB GLN A 11 -0.984 0.511 7.106 1.00 0.00 C ATOM 155 CG GLN A 11 0.336 -0.246 7.264 1.00 0.00 C ATOM 156 CD GLN A 11 0.607 -1.136 6.049 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.718 -1.234 5.554 1.00 0.00 O ATOM 158 NE2 GLN A 11 -0.467 -1.776 5.596 1.00 0.00 N ATOM 0 H GLN A 11 0.146 2.747 7.084 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.222 1.720 8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.816 -0.192 7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.012 1.001 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.154 0.464 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.303 -0.857 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.368 -1.650 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.390 -2.393 4.788 1.00 0.00 H new ATOM 167 N GLN A 12 -1.166 -0.027 10.031 1.00 0.00 N ATOM 168 CA GLN A 12 -0.721 -0.616 11.283 1.00 0.00 C ATOM 169 C GLN A 12 -0.575 -2.131 11.133 1.00 0.00 C ATOM 170 O GLN A 12 -0.158 -2.815 12.068 1.00 0.00 O ATOM 171 CB GLN A 12 -1.677 -0.267 12.425 1.00 0.00 C ATOM 172 CG GLN A 12 -1.003 0.654 13.443 1.00 0.00 C ATOM 173 CD GLN A 12 -1.884 0.842 14.680 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.530 -0.075 15.159 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.871 2.080 15.169 1.00 0.00 N ATOM 0 H GLN A 12 -1.950 -0.507 9.589 1.00 0.00 H new ATOM 0 HA GLN A 12 0.255 -0.199 11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.567 0.218 12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.008 -1.181 12.919 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.041 0.234 13.738 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.801 1.622 12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.307 2.801 14.718 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.425 2.308 15.995 1.00 0.00 H new ATOM 184 N VAL A 13 -0.929 -2.614 9.950 1.00 0.00 N ATOM 185 CA VAL A 13 -0.842 -4.037 9.667 1.00 0.00 C ATOM 186 C VAL A 13 0.009 -4.251 8.414 1.00 0.00 C ATOM 187 O VAL A 13 0.080 -3.379 7.550 1.00 0.00 O ATOM 188 CB VAL A 13 -2.246 -4.632 9.545 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.434 -5.799 10.518 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.317 -3.561 9.762 1.00 0.00 C ATOM 0 H VAL A 13 -1.276 -2.046 9.178 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.351 -4.561 10.487 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.358 -5.018 8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.440 -6.204 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.704 -6.578 10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.291 -5.447 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.305 -4.011 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.205 -3.131 10.757 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.204 -2.777 9.014 1.00 0.00 H new ATOM 200 N PRO A 14 0.649 -5.450 8.352 1.00 0.00 N ATOM 201 CA PRO A 14 1.491 -5.791 7.218 1.00 0.00 C ATOM 202 C PRO A 14 0.647 -6.140 5.993 1.00 0.00 C ATOM 203 O PRO A 14 -0.581 -6.104 6.048 1.00 0.00 O ATOM 204 CB PRO A 14 2.348 -6.951 7.701 1.00 0.00 C ATOM 205 CG PRO A 14 1.636 -7.517 8.918 1.00 0.00 C ATOM 206 CD PRO A 14 0.587 -6.508 9.355 1.00 0.00 C ATOM 0 HA PRO A 14 2.116 -4.959 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.455 -7.708 6.924 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.352 -6.614 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.170 -8.472 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.346 -7.703 9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.404 -6.959 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.800 -6.122 10.352 1.00 0.00 H new ATOM 214 N CYS A 15 1.338 -6.472 4.912 1.00 0.00 N ATOM 215 CA CYS A 15 0.667 -6.827 3.673 1.00 0.00 C ATOM 216 C CYS A 15 0.689 -8.350 3.535 1.00 0.00 C ATOM 217 O CYS A 15 1.756 -8.952 3.421 1.00 0.00 O ATOM 218 CB CYS A 15 1.304 -6.134 2.465 1.00 0.00 C ATOM 219 SG CYS A 15 0.112 -5.440 1.263 1.00 0.00 S ATOM 0 H CYS A 15 2.357 -6.503 4.869 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.366 -6.481 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.948 -5.330 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.944 -6.850 1.949 1.00 0.00 H new ATOM 224 N CYS A 16 -0.502 -8.931 3.550 1.00 0.00 N ATOM 225 CA CYS A 16 -0.632 -10.373 3.428 1.00 0.00 C ATOM 226 C CYS A 16 0.223 -10.835 2.246 1.00 0.00 C ATOM 227 O CYS A 16 0.755 -11.943 2.256 1.00 0.00 O ATOM 228 CB CYS A 16 -2.094 -10.798 3.275 1.00 0.00 C ATOM 229 SG CYS A 16 -2.840 -11.534 4.775 1.00 0.00 S ATOM 0 H CYS A 16 -1.385 -8.429 3.645 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.276 -10.851 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.682 -9.928 2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.165 -11.518 2.460 1.00 0.00 H new ATOM 234 N ASP A 17 0.328 -9.961 1.256 1.00 0.00 N ATOM 235 CA ASP A 17 1.109 -10.265 0.069 1.00 0.00 C ATOM 236 C ASP A 17 2.581 -9.953 0.338 1.00 0.00 C ATOM 237 O ASP A 17 2.947 -8.795 0.542 1.00 0.00 O ATOM 238 CB ASP A 17 0.655 -9.415 -1.121 1.00 0.00 C ATOM 239 CG ASP A 17 -0.721 -9.773 -1.683 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.529 -10.323 -0.903 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.937 -9.488 -2.882 1.00 0.00 O ATOM 0 H ASP A 17 -0.115 -9.042 1.251 1.00 0.00 H new ATOM 0 HA ASP A 17 0.968 -11.320 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.646 -8.368 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.392 -9.510 -1.918 1.00 0.00 H new ATOM 246 N PRO A 18 3.409 -11.031 0.332 1.00 0.00 N ATOM 247 CA PRO A 18 4.833 -10.884 0.573 1.00 0.00 C ATOM 248 C PRO A 18 5.538 -10.293 -0.649 1.00 0.00 C ATOM 249 O PRO A 18 6.560 -9.620 -0.515 1.00 0.00 O ATOM 250 CB PRO A 18 5.321 -12.282 0.922 1.00 0.00 C ATOM 251 CG PRO A 18 4.252 -13.234 0.412 1.00 0.00 C ATOM 252 CD PRO A 18 3.011 -12.416 0.096 1.00 0.00 C ATOM 0 HA PRO A 18 5.052 -10.187 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.284 -12.488 0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.460 -12.390 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.601 -13.758 -0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.028 -13.993 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.690 -12.566 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.175 -12.702 0.735 1.00 0.00 H new ATOM 260 N ALA A 19 4.966 -10.565 -1.812 1.00 0.00 N ATOM 261 CA ALA A 19 5.527 -10.068 -3.057 1.00 0.00 C ATOM 262 C ALA A 19 4.878 -8.727 -3.404 1.00 0.00 C ATOM 263 O ALA A 19 4.750 -8.380 -4.578 1.00 0.00 O ATOM 264 CB ALA A 19 5.332 -11.113 -4.158 1.00 0.00 C ATOM 0 H ALA A 19 4.119 -11.124 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 19 6.599 -9.899 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.753 -10.740 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.836 -12.037 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.268 -11.307 -4.291 1.00 0.00 H new ATOM 270 N ALA A 20 4.484 -8.009 -2.363 1.00 0.00 N ATOM 271 CA ALA A 20 3.852 -6.713 -2.543 1.00 0.00 C ATOM 272 C ALA A 20 4.877 -5.609 -2.280 1.00 0.00 C ATOM 273 O ALA A 20 5.866 -5.829 -1.582 1.00 0.00 O ATOM 274 CB ALA A 20 2.633 -6.608 -1.625 1.00 0.00 C ATOM 0 H ALA A 20 4.590 -8.300 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 20 3.499 -6.597 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.159 -5.636 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.922 -7.396 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.948 -6.717 -0.587 1.00 0.00 H new ATOM 280 N THR A 21 4.607 -4.445 -2.852 1.00 0.00 N ATOM 281 CA THR A 21 5.493 -3.305 -2.688 1.00 0.00 C ATOM 282 C THR A 21 4.689 -2.049 -2.348 1.00 0.00 C ATOM 283 O THR A 21 4.146 -1.396 -3.239 1.00 0.00 O ATOM 284 CB THR A 21 6.327 -3.168 -3.963 1.00 0.00 C ATOM 285 OG1 THR A 21 5.660 -4.001 -4.906 1.00 0.00 O ATOM 286 CG2 THR A 21 7.715 -3.799 -3.826 1.00 0.00 C ATOM 0 H THR A 21 3.786 -4.267 -3.430 1.00 0.00 H new ATOM 0 HA THR A 21 6.175 -3.451 -1.851 1.00 0.00 H new ATOM 0 HB THR A 21 6.431 -2.113 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.134 -3.970 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.265 -3.674 -4.759 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.258 -3.312 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.612 -4.861 -3.606 1.00 0.00 H new ATOM 294 N CYS A 22 4.640 -1.746 -1.060 1.00 0.00 N ATOM 295 CA CYS A 22 3.912 -0.579 -0.592 1.00 0.00 C ATOM 296 C CYS A 22 4.542 0.665 -1.224 1.00 0.00 C ATOM 297 O CYS A 22 5.389 1.314 -0.612 1.00 0.00 O ATOM 298 CB CYS A 22 3.895 -0.497 0.936 1.00 0.00 C ATOM 299 SG CYS A 22 2.853 0.841 1.621 1.00 0.00 S ATOM 0 H CYS A 22 5.093 -2.289 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 22 2.868 -0.652 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.545 -1.450 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.917 -0.360 1.290 1.00 0.00 H new ATOM 304 N TYR A 23 4.103 0.959 -2.439 1.00 0.00 N ATOM 305 CA TYR A 23 4.613 2.113 -3.160 1.00 0.00 C ATOM 306 C TYR A 23 3.663 3.304 -3.030 1.00 0.00 C ATOM 307 O TYR A 23 2.450 3.127 -2.932 1.00 0.00 O ATOM 308 CB TYR A 23 4.689 1.692 -4.628 1.00 0.00 C ATOM 309 CG TYR A 23 5.578 2.593 -5.489 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.866 2.879 -5.083 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.094 3.119 -6.668 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.705 3.725 -5.892 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.931 3.965 -7.477 1.00 0.00 C ATOM 314 CZ TYR A 23 7.196 4.226 -7.049 1.00 0.00 C ATOM 315 OH TYR A 23 7.986 5.027 -7.813 1.00 0.00 O ATOM 0 H TYR A 23 3.400 0.418 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 23 5.581 2.418 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.063 0.670 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.682 1.686 -5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.245 2.468 -4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.086 2.896 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.715 3.956 -5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.564 4.383 -8.403 1.00 0.00 H new ATOM 0 HH TYR A 23 7.491 5.310 -8.610 1.00 0.00 H new ATOM 325 N CYS A 24 4.249 4.492 -3.031 1.00 0.00 N ATOM 326 CA CYS A 24 3.471 5.712 -2.915 1.00 0.00 C ATOM 327 C CYS A 24 3.717 6.561 -4.163 1.00 0.00 C ATOM 328 O CYS A 24 4.862 6.845 -4.508 1.00 0.00 O ATOM 329 CB CYS A 24 3.803 6.475 -1.631 1.00 0.00 C ATOM 330 SG CYS A 24 4.324 5.424 -0.226 1.00 0.00 S ATOM 0 H CYS A 24 5.256 4.635 -3.111 1.00 0.00 H new ATOM 0 HA CYS A 24 2.411 5.465 -2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.597 7.190 -1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.928 7.051 -1.331 1.00 0.00 H new ATOM 335 N ARG A 25 2.623 6.942 -4.806 1.00 0.00 N ATOM 336 CA ARG A 25 2.706 7.752 -6.010 1.00 0.00 C ATOM 337 C ARG A 25 3.198 9.161 -5.668 1.00 0.00 C ATOM 338 O ARG A 25 4.279 9.563 -6.090 1.00 0.00 O ATOM 339 CB ARG A 25 1.347 7.847 -6.705 1.00 0.00 C ATOM 340 CG ARG A 25 1.330 8.991 -7.722 1.00 0.00 C ATOM 341 CD ARG A 25 2.590 8.972 -8.588 1.00 0.00 C ATOM 342 NE ARG A 25 2.930 7.579 -8.958 1.00 0.00 N ATOM 343 CZ ARG A 25 3.606 7.240 -10.063 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.017 8.188 -10.916 1.00 0.00 N ATOM 345 NH2 ARG A 25 3.869 5.950 -10.318 1.00 0.00 N ATOM 0 H ARG A 25 1.674 6.705 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 25 3.413 7.271 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.125 6.906 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.565 8.004 -5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.447 8.906 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.257 9.945 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.432 9.567 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.420 9.426 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 25 2.631 6.831 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.815 9.169 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.532 7.928 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.554 5.228 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.384 5.691 -11.160 1.00 0.00 H new ATOM 359 N PHE A 26 2.376 9.869 -4.907 1.00 0.00 N ATOM 360 CA PHE A 26 2.713 11.225 -4.504 1.00 0.00 C ATOM 361 C PHE A 26 3.619 11.220 -3.270 1.00 0.00 C ATOM 362 O PHE A 26 4.333 10.249 -3.023 1.00 0.00 O ATOM 363 CB PHE A 26 1.400 11.927 -4.157 1.00 0.00 C ATOM 364 CG PHE A 26 1.356 13.402 -4.563 1.00 0.00 C ATOM 365 CD1 PHE A 26 1.667 13.765 -5.836 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.006 14.348 -3.651 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.625 15.134 -6.214 1.00 0.00 C ATOM 368 CE2 PHE A 26 0.966 15.716 -4.029 1.00 0.00 C ATOM 369 CZ PHE A 26 1.276 16.081 -5.302 1.00 0.00 C ATOM 0 H PHE A 26 1.479 9.530 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 26 3.244 11.733 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.579 11.402 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.232 11.851 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.946 13.013 -6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.759 14.059 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.870 15.423 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.689 16.468 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.245 17.122 -5.589 1.00 0.00 H new ATOM 379 N PHE A 27 3.559 12.316 -2.529 1.00 0.00 N ATOM 380 CA PHE A 27 4.364 12.452 -1.327 1.00 0.00 C ATOM 381 C PHE A 27 3.767 11.643 -0.173 1.00 0.00 C ATOM 382 O PHE A 27 4.391 10.705 0.320 1.00 0.00 O ATOM 383 CB PHE A 27 4.361 13.934 -0.951 1.00 0.00 C ATOM 384 CG PHE A 27 5.552 14.362 -0.090 1.00 0.00 C ATOM 385 CD1 PHE A 27 5.475 14.280 1.265 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.687 14.820 -0.681 1.00 0.00 C ATOM 387 CE1 PHE A 27 6.581 14.676 2.064 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.793 15.216 0.118 1.00 0.00 C ATOM 389 CZ PHE A 27 7.716 15.136 1.474 1.00 0.00 C ATOM 0 H PHE A 27 2.965 13.119 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 27 5.373 12.082 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.354 14.530 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.439 14.160 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.573 13.914 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.748 14.883 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.520 14.612 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.695 15.581 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.556 15.438 2.081 1.00 0.00 H new ATOM 399 N ASN A 28 2.565 12.037 0.223 1.00 0.00 N ATOM 400 CA ASN A 28 1.877 11.361 1.310 1.00 0.00 C ATOM 401 C ASN A 28 0.370 11.391 1.049 1.00 0.00 C ATOM 402 O ASN A 28 -0.351 12.195 1.641 1.00 0.00 O ATOM 403 CB ASN A 28 2.140 12.057 2.646 1.00 0.00 C ATOM 404 CG ASN A 28 2.109 11.057 3.802 1.00 0.00 C ATOM 405 OD1 ASN A 28 3.129 10.581 4.272 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.886 10.763 4.232 1.00 0.00 N ATOM 0 H ASN A 28 2.050 12.815 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 28 2.247 10.337 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.110 12.554 2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.390 12.831 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.760 10.103 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.073 11.197 3.794 1.00 0.00 H new ATOM 413 N ALA A 29 -0.063 10.506 0.164 1.00 0.00 N ATOM 414 CA ALA A 29 -1.472 10.422 -0.183 1.00 0.00 C ATOM 415 C ALA A 29 -1.780 9.018 -0.707 1.00 0.00 C ATOM 416 O ALA A 29 -2.422 8.223 -0.022 1.00 0.00 O ATOM 417 CB ALA A 29 -1.815 11.512 -1.199 1.00 0.00 C ATOM 0 H ALA A 29 0.537 9.840 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.094 10.590 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.872 11.448 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.606 12.491 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.212 11.375 -2.097 1.00 0.00 H new ATOM 423 N PHE A 30 -1.308 8.755 -1.917 1.00 0.00 N ATOM 424 CA PHE A 30 -1.524 7.462 -2.541 1.00 0.00 C ATOM 425 C PHE A 30 -0.358 6.513 -2.257 1.00 0.00 C ATOM 426 O PHE A 30 0.726 6.672 -2.816 1.00 0.00 O ATOM 427 CB PHE A 30 -1.616 7.702 -4.049 1.00 0.00 C ATOM 428 CG PHE A 30 -3.047 7.717 -4.592 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.012 8.422 -3.942 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.353 7.029 -5.722 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.339 8.439 -4.444 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.681 7.044 -6.226 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.646 7.749 -5.576 1.00 0.00 C ATOM 0 H PHE A 30 -0.776 9.417 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.432 7.006 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.139 8.653 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.051 6.926 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.768 8.969 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.586 6.470 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.105 8.999 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.924 6.496 -7.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.656 7.761 -5.958 1.00 0.00 H new ATOM 443 N CYS A 31 -0.620 5.549 -1.386 1.00 0.00 N ATOM 444 CA CYS A 31 0.395 4.575 -1.022 1.00 0.00 C ATOM 445 C CYS A 31 -0.298 3.240 -0.743 1.00 0.00 C ATOM 446 O CYS A 31 -1.071 3.124 0.207 1.00 0.00 O ATOM 447 CB CYS A 31 1.228 5.047 0.171 1.00 0.00 C ATOM 448 SG CYS A 31 2.869 4.250 0.326 1.00 0.00 S ATOM 0 H CYS A 31 -1.520 5.422 -0.922 1.00 0.00 H new ATOM 0 HA CYS A 31 1.098 4.452 -1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.369 6.125 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.663 4.864 1.085 1.00 0.00 H new ATOM 453 N TYR A 32 0.002 2.264 -1.587 1.00 0.00 N ATOM 454 CA TYR A 32 -0.582 0.942 -1.443 1.00 0.00 C ATOM 455 C TYR A 32 0.414 -0.146 -1.854 1.00 0.00 C ATOM 456 O TYR A 32 1.494 0.156 -2.358 1.00 0.00 O ATOM 457 CB TYR A 32 -1.780 0.905 -2.392 1.00 0.00 C ATOM 458 CG TYR A 32 -1.684 1.897 -3.553 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.564 1.912 -4.359 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.720 2.777 -3.797 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.474 2.845 -5.451 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.630 3.711 -4.890 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.512 3.699 -5.662 1.00 0.00 C ATOM 464 OH TYR A 32 -1.427 4.581 -6.695 1.00 0.00 O ATOM 0 H TYR A 32 0.643 2.363 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.864 0.758 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.880 -0.103 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.687 1.112 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.246 1.223 -4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.598 2.765 -3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.398 2.867 -6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.433 4.405 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.244 4.534 -7.234 1.00 0.00 H new ATOM 474 N CYS A 33 0.012 -1.386 -1.623 1.00 0.00 N ATOM 475 CA CYS A 33 0.855 -2.521 -1.963 1.00 0.00 C ATOM 476 C CYS A 33 0.777 -2.741 -3.475 1.00 0.00 C ATOM 477 O CYS A 33 -0.312 -2.872 -4.031 1.00 0.00 O ATOM 478 CB CYS A 33 0.459 -3.775 -1.182 1.00 0.00 C ATOM 479 SG CYS A 33 1.448 -4.084 0.327 1.00 0.00 S ATOM 0 H CYS A 33 -0.886 -1.631 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 33 1.886 -2.309 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.591 -3.694 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.547 -4.639 -1.841 1.00 0.00 H new ATOM 484 N ARG A 34 1.946 -2.776 -4.097 1.00 0.00 N ATOM 485 CA ARG A 34 2.025 -2.979 -5.534 1.00 0.00 C ATOM 486 C ARG A 34 3.269 -3.797 -5.888 1.00 0.00 C ATOM 487 O ARG A 34 3.487 -4.874 -5.333 1.00 0.00 O ATOM 488 CB ARG A 34 2.072 -1.643 -6.276 1.00 0.00 C ATOM 489 CG ARG A 34 1.191 -1.680 -7.527 1.00 0.00 C ATOM 490 CD ARG A 34 1.778 -2.619 -8.583 1.00 0.00 C ATOM 491 NE ARG A 34 0.696 -3.406 -9.216 1.00 0.00 N ATOM 492 CZ ARG A 34 0.288 -4.606 -8.781 1.00 0.00 C ATOM 493 NH1 ARG A 34 0.868 -5.165 -7.711 1.00 0.00 N ATOM 494 NH2 ARG A 34 -0.701 -5.248 -9.418 1.00 0.00 N ATOM 0 H ARG A 34 2.847 -2.667 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 34 1.131 -3.521 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.738 -0.844 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.100 -1.415 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.187 -2.010 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.097 -0.676 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.310 -2.042 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.505 -3.288 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 34 0.232 -3.010 -10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.621 -4.677 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.556 -6.078 -7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.143 -4.823 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.012 -6.161 -9.087 1.00 0.00 H new TER 508 ARG A 34