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+ -138:sc= 0.475 (180deg=0.0482) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0313 USER MOD Single : A 11 GLN : amide:sc= -2.67! C(o=-2.7!,f=-0.97!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -3.76! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.063) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.968 -8.175 7.936 1.00 0.00 N ATOM 2 CA CYS A 1 -2.972 -7.720 6.981 1.00 0.00 C ATOM 3 C CYS A 1 -3.665 -6.825 5.952 1.00 0.00 C ATOM 4 O CYS A 1 -4.893 -6.768 5.901 1.00 0.00 O ATOM 5 CB CYS A 1 -2.244 -8.893 6.321 1.00 0.00 C ATOM 6 SG CYS A 1 -3.336 -10.239 5.731 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.572 -8.133 8.897 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.808 -7.564 7.880 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.238 -9.155 7.716 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.203 -7.146 7.499 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.667 -8.516 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.532 -9.308 7.034 1.00 0.00 H new ATOM 11 N VAL A 2 -2.850 -6.149 5.156 1.00 0.00 N ATOM 12 CA VAL A 2 -3.370 -5.261 4.131 1.00 0.00 C ATOM 13 C VAL A 2 -3.208 -5.921 2.761 1.00 0.00 C ATOM 14 O VAL A 2 -2.163 -6.498 2.464 1.00 0.00 O ATOM 15 CB VAL A 2 -2.682 -3.898 4.223 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.577 -3.242 2.843 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.409 -2.982 5.211 1.00 0.00 C ATOM 0 H VAL A 2 -1.832 -6.199 5.200 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.435 -5.084 4.282 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.670 -4.058 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.084 -2.274 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.996 -3.882 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.576 -3.102 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.899 -2.020 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.437 -2.833 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.409 -3.441 6.200 1.00 0.00 H new ATOM 27 N ARG A 3 -4.260 -5.814 1.960 1.00 0.00 N ATOM 28 CA ARG A 3 -4.247 -6.393 0.628 1.00 0.00 C ATOM 29 C ARG A 3 -3.366 -5.560 -0.305 1.00 0.00 C ATOM 30 O ARG A 3 -3.008 -4.429 0.020 1.00 0.00 O ATOM 31 CB ARG A 3 -5.660 -6.471 0.047 1.00 0.00 C ATOM 32 CG ARG A 3 -6.209 -7.897 0.131 1.00 0.00 C ATOM 33 CD ARG A 3 -7.241 -8.024 1.253 1.00 0.00 C ATOM 34 NE ARG A 3 -6.729 -7.382 2.485 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.509 -6.936 3.480 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.840 -7.056 3.392 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.957 -6.368 4.561 1.00 0.00 N ATOM 0 H ARG A 3 -5.126 -5.335 2.209 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.843 -7.402 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.318 -5.792 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.649 -6.142 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.666 -8.171 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.391 -8.596 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.178 -7.556 0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.456 -9.075 1.443 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.720 -7.272 2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.260 -7.487 2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.434 -6.717 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.943 -6.275 4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.550 -6.029 5.318 1.00 0.00 H new ATOM 51 N LEU A 4 -3.041 -6.151 -1.446 1.00 0.00 N ATOM 52 CA LEU A 4 -2.208 -5.477 -2.429 1.00 0.00 C ATOM 53 C LEU A 4 -2.863 -4.150 -2.820 1.00 0.00 C ATOM 54 O LEU A 4 -2.230 -3.099 -2.754 1.00 0.00 O ATOM 55 CB LEU A 4 -1.930 -6.400 -3.616 1.00 0.00 C ATOM 56 CG LEU A 4 -0.483 -6.430 -4.116 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.056 -7.861 -4.145 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.358 -5.741 -5.476 1.00 0.00 C ATOM 0 H LEU A 4 -3.339 -7.089 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.232 -5.239 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.219 -7.414 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.574 -6.100 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 4 0.133 -5.868 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.085 -7.855 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.024 -8.282 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.557 -8.467 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.680 -5.777 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.989 -6.253 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.675 -4.702 -5.388 1.00 0.00 H new ATOM 70 N HIS A 5 -4.123 -4.244 -3.221 1.00 0.00 N ATOM 71 CA HIS A 5 -4.870 -3.064 -3.625 1.00 0.00 C ATOM 72 C HIS A 5 -5.480 -2.397 -2.391 1.00 0.00 C ATOM 73 O HIS A 5 -6.653 -2.025 -2.398 1.00 0.00 O ATOM 74 CB HIS A 5 -5.914 -3.418 -4.685 1.00 0.00 C ATOM 75 CG HIS A 5 -5.614 -2.853 -6.053 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.072 -3.612 -7.076 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.787 -1.597 -6.556 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.930 -2.838 -8.141 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.372 -1.590 -7.818 1.00 0.00 N ATOM 0 H HIS A 5 -4.645 -5.119 -3.275 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.197 -2.344 -4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.988 -4.503 -4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.888 -3.053 -4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.192 -0.752 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.533 -3.143 -9.098 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.382 -0.783 -8.442 1.00 0.00 H new ATOM 88 N GLU A 6 -4.659 -2.267 -1.359 1.00 0.00 N ATOM 89 CA GLU A 6 -5.103 -1.651 -0.120 1.00 0.00 C ATOM 90 C GLU A 6 -4.009 -0.744 0.445 1.00 0.00 C ATOM 91 O GLU A 6 -2.982 -1.226 0.921 1.00 0.00 O ATOM 92 CB GLU A 6 -5.517 -2.712 0.901 1.00 0.00 C ATOM 93 CG GLU A 6 -6.960 -3.164 0.668 1.00 0.00 C ATOM 94 CD GLU A 6 -7.621 -3.587 1.982 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.014 -3.309 3.038 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.719 -4.179 1.900 1.00 0.00 O ATOM 0 H GLU A 6 -3.688 -2.578 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.979 -1.039 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.848 -3.570 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.416 -2.310 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.530 -2.353 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.975 -3.997 -0.035 1.00 0.00 H new ATOM 103 N SER A 7 -4.265 0.554 0.373 1.00 0.00 N ATOM 104 CA SER A 7 -3.313 1.533 0.871 1.00 0.00 C ATOM 105 C SER A 7 -2.624 1.000 2.128 1.00 0.00 C ATOM 106 O SER A 7 -3.199 0.202 2.865 1.00 0.00 O ATOM 107 CB SER A 7 -4.002 2.867 1.167 1.00 0.00 C ATOM 108 OG SER A 7 -3.533 3.451 2.380 1.00 0.00 O ATOM 0 H SER A 7 -5.117 0.951 -0.022 1.00 0.00 H new ATOM 0 HA SER A 7 -2.562 1.705 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.828 3.557 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.079 2.713 1.231 1.00 0.00 H new ATOM 0 HG SER A 7 -3.995 4.301 2.534 1.00 0.00 H new ATOM 114 N CYS A 8 -1.399 1.462 2.334 1.00 0.00 N ATOM 115 CA CYS A 8 -0.625 1.042 3.489 1.00 0.00 C ATOM 116 C CYS A 8 -0.281 2.284 4.314 1.00 0.00 C ATOM 117 O CYS A 8 0.395 2.186 5.338 1.00 0.00 O ATOM 118 CB CYS A 8 0.627 0.266 3.079 1.00 0.00 C ATOM 119 SG CYS A 8 1.081 0.420 1.312 1.00 0.00 S ATOM 0 H CYS A 8 -0.924 2.123 1.720 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.216 0.356 4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.465 0.609 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.476 -0.788 3.310 1.00 0.00 H new ATOM 124 N LEU A 9 -0.762 3.424 3.840 1.00 0.00 N ATOM 125 CA LEU A 9 -0.514 4.682 4.521 1.00 0.00 C ATOM 126 C LEU A 9 -0.696 4.487 6.027 1.00 0.00 C ATOM 127 O LEU A 9 -1.795 4.188 6.489 1.00 0.00 O ATOM 128 CB LEU A 9 -1.391 5.791 3.934 1.00 0.00 C ATOM 129 CG LEU A 9 -0.777 6.592 2.783 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.358 6.152 1.438 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.941 8.096 3.013 1.00 0.00 C ATOM 0 H LEU A 9 -1.323 3.502 2.992 1.00 0.00 H new ATOM 0 HA LEU A 9 0.515 5.004 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.322 5.344 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.651 6.484 4.734 1.00 0.00 H new ATOM 0 HG LEU A 9 0.293 6.385 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.905 6.737 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.147 5.094 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.436 6.311 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.496 8.642 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.001 8.340 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.443 8.379 3.940 1.00 0.00 H new ATOM 143 N GLY A 10 0.398 4.664 6.751 1.00 0.00 N ATOM 144 CA GLY A 10 0.373 4.510 8.196 1.00 0.00 C ATOM 145 C GLY A 10 -0.489 3.316 8.606 1.00 0.00 C ATOM 146 O GLY A 10 -1.424 3.461 9.392 1.00 0.00 O ATOM 0 H GLY A 10 1.309 4.913 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.388 4.375 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.016 5.419 8.655 1.00 0.00 H new ATOM 150 N GLN A 11 -0.146 2.161 8.053 1.00 0.00 N ATOM 151 CA GLN A 11 -0.877 0.942 8.353 1.00 0.00 C ATOM 152 C GLN A 11 -0.371 0.325 9.657 1.00 0.00 C ATOM 153 O GLN A 11 0.792 0.498 10.019 1.00 0.00 O ATOM 154 CB GLN A 11 -0.774 -0.055 7.196 1.00 0.00 C ATOM 155 CG GLN A 11 0.343 -1.070 7.447 1.00 0.00 C ATOM 156 CD GLN A 11 1.717 -0.402 7.382 1.00 0.00 C ATOM 157 OE1 GLN A 11 2.372 -0.171 8.385 1.00 0.00 O ATOM 158 NE2 GLN A 11 2.115 -0.102 6.149 1.00 0.00 N ATOM 0 H GLN A 11 0.628 2.044 7.399 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.930 1.194 8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.724 -0.576 7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.582 0.480 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.206 -1.533 8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.287 -1.868 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.518 -0.323 5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.018 0.349 6.000 1.00 0.00 H new ATOM 167 N GLN A 12 -1.268 -0.383 10.326 1.00 0.00 N ATOM 168 CA GLN A 12 -0.926 -1.027 11.584 1.00 0.00 C ATOM 169 C GLN A 12 -0.551 -2.491 11.346 1.00 0.00 C ATOM 170 O GLN A 12 0.277 -3.048 12.064 1.00 0.00 O ATOM 171 CB GLN A 12 -2.074 -0.913 12.588 1.00 0.00 C ATOM 172 CG GLN A 12 -1.546 -0.609 13.992 1.00 0.00 C ATOM 173 CD GLN A 12 -2.694 -0.297 14.954 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.844 0.810 15.443 1.00 0.00 O ATOM 175 NE2 GLN A 12 -3.492 -1.332 15.198 1.00 0.00 N ATOM 0 H GLN A 12 -2.231 -0.525 10.022 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.063 -0.515 12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.759 -0.125 12.275 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.643 -1.843 12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.977 -1.462 14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.861 0.238 13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.309 -2.232 14.755 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.287 -1.226 15.828 1.00 0.00 H new ATOM 184 N VAL A 13 -1.178 -3.073 10.333 1.00 0.00 N ATOM 185 CA VAL A 13 -0.920 -4.461 9.990 1.00 0.00 C ATOM 186 C VAL A 13 -0.113 -4.519 8.692 1.00 0.00 C ATOM 187 O VAL A 13 -0.157 -3.590 7.887 1.00 0.00 O ATOM 188 CB VAL A 13 -2.238 -5.233 9.911 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.350 -6.246 11.054 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.434 -4.279 9.905 1.00 0.00 C ATOM 0 H VAL A 13 -1.864 -2.608 9.739 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.323 -4.942 10.765 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.246 -5.785 8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.296 -6.781 10.974 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.525 -6.956 10.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.308 -5.723 12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.358 -4.854 9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.431 -3.686 10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.366 -3.616 9.043 1.00 0.00 H new ATOM 200 N PRO A 14 0.622 -5.651 8.523 1.00 0.00 N ATOM 201 CA PRO A 14 1.437 -5.843 7.335 1.00 0.00 C ATOM 202 C PRO A 14 0.568 -6.186 6.123 1.00 0.00 C ATOM 203 O PRO A 14 -0.626 -6.442 6.265 1.00 0.00 O ATOM 204 CB PRO A 14 2.411 -6.952 7.701 1.00 0.00 C ATOM 205 CG PRO A 14 1.807 -7.656 8.907 1.00 0.00 C ATOM 206 CD PRO A 14 0.698 -6.772 9.454 1.00 0.00 C ATOM 0 HA PRO A 14 1.973 -4.940 7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.544 -7.645 6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.394 -6.546 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.412 -8.631 8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.567 -7.830 9.668 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.249 -7.310 9.504 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.925 -6.432 10.465 1.00 0.00 H new ATOM 214 N CYS A 15 1.204 -6.180 4.961 1.00 0.00 N ATOM 215 CA CYS A 15 0.502 -6.487 3.724 1.00 0.00 C ATOM 216 C CYS A 15 0.348 -8.006 3.625 1.00 0.00 C ATOM 217 O CYS A 15 1.312 -8.746 3.818 1.00 0.00 O ATOM 218 CB CYS A 15 1.223 -5.907 2.507 1.00 0.00 C ATOM 219 SG CYS A 15 0.411 -4.447 1.758 1.00 0.00 S ATOM 0 H CYS A 15 2.195 -5.968 4.849 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.484 -6.022 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.236 -5.632 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.311 -6.685 1.749 1.00 0.00 H new ATOM 224 N CYS A 16 -0.872 -8.427 3.324 1.00 0.00 N ATOM 225 CA CYS A 16 -1.165 -9.844 3.196 1.00 0.00 C ATOM 226 C CYS A 16 -0.139 -10.463 2.246 1.00 0.00 C ATOM 227 O CYS A 16 0.403 -11.533 2.521 1.00 0.00 O ATOM 228 CB CYS A 16 -2.600 -10.085 2.723 1.00 0.00 C ATOM 229 SG CYS A 16 -3.895 -9.606 3.924 1.00 0.00 S ATOM 0 H CYS A 16 -1.669 -7.811 3.165 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.089 -10.323 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.760 -9.532 1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.717 -11.143 2.487 1.00 0.00 H new ATOM 234 N ASP A 17 0.097 -9.764 1.144 1.00 0.00 N ATOM 235 CA ASP A 17 1.048 -10.232 0.151 1.00 0.00 C ATOM 236 C ASP A 17 2.444 -9.716 0.505 1.00 0.00 C ATOM 237 O ASP A 17 2.679 -8.509 0.513 1.00 0.00 O ATOM 238 CB ASP A 17 0.691 -9.711 -1.242 1.00 0.00 C ATOM 239 CG ASP A 17 -0.623 -10.244 -1.816 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.670 -9.644 -1.488 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.553 -11.241 -2.566 1.00 0.00 O ATOM 0 H ASP A 17 -0.354 -8.878 0.918 1.00 0.00 H new ATOM 0 HA ASP A 17 1.021 -11.322 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.638 -8.623 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.499 -9.967 -1.927 1.00 0.00 H new ATOM 246 N PRO A 18 3.357 -10.681 0.798 1.00 0.00 N ATOM 247 CA PRO A 18 4.723 -10.336 1.152 1.00 0.00 C ATOM 248 C PRO A 18 5.519 -9.910 -0.084 1.00 0.00 C ATOM 249 O PRO A 18 6.499 -9.175 0.029 1.00 0.00 O ATOM 250 CB PRO A 18 5.283 -11.583 1.816 1.00 0.00 C ATOM 251 CG PRO A 18 4.372 -12.726 1.396 1.00 0.00 C ATOM 252 CD PRO A 18 3.113 -12.121 0.797 1.00 0.00 C ATOM 0 HA PRO A 18 4.780 -9.481 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.310 -11.766 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.298 -11.474 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.872 -13.365 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.124 -13.352 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.937 -12.492 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.232 -12.374 1.388 1.00 0.00 H new ATOM 260 N ALA A 19 5.066 -10.387 -1.234 1.00 0.00 N ATOM 261 CA ALA A 19 5.723 -10.063 -2.488 1.00 0.00 C ATOM 262 C ALA A 19 5.124 -8.775 -3.056 1.00 0.00 C ATOM 263 O ALA A 19 5.154 -8.553 -4.266 1.00 0.00 O ATOM 264 CB ALA A 19 5.589 -11.243 -3.454 1.00 0.00 C ATOM 0 H ALA A 19 4.252 -10.995 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 19 6.787 -9.889 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.082 -11.000 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.056 -12.126 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.534 -11.444 -3.638 1.00 0.00 H new ATOM 270 N ALA A 20 4.594 -7.960 -2.156 1.00 0.00 N ATOM 271 CA ALA A 20 3.988 -6.700 -2.553 1.00 0.00 C ATOM 272 C ALA A 20 4.994 -5.566 -2.340 1.00 0.00 C ATOM 273 O ALA A 20 6.001 -5.745 -1.657 1.00 0.00 O ATOM 274 CB ALA A 20 2.694 -6.485 -1.765 1.00 0.00 C ATOM 0 H ALA A 20 4.572 -8.147 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 20 3.727 -6.716 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.239 -5.540 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.002 -7.302 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.917 -6.460 -0.698 1.00 0.00 H new ATOM 280 N THR A 21 4.688 -4.426 -2.940 1.00 0.00 N ATOM 281 CA THR A 21 5.552 -3.264 -2.826 1.00 0.00 C ATOM 282 C THR A 21 4.733 -2.024 -2.465 1.00 0.00 C ATOM 283 O THR A 21 4.122 -1.405 -3.335 1.00 0.00 O ATOM 284 CB THR A 21 6.327 -3.120 -4.137 1.00 0.00 C ATOM 285 OG1 THR A 21 5.648 -3.990 -5.039 1.00 0.00 O ATOM 286 CG2 THR A 21 7.739 -3.705 -4.048 1.00 0.00 C ATOM 0 H THR A 21 3.853 -4.282 -3.507 1.00 0.00 H new ATOM 0 HA THR A 21 6.273 -3.385 -2.018 1.00 0.00 H new ATOM 0 HB THR A 21 6.386 -2.067 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.084 -3.957 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.247 -3.577 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.298 -3.188 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.679 -4.767 -3.808 1.00 0.00 H new ATOM 294 N CYS A 22 4.748 -1.696 -1.182 1.00 0.00 N ATOM 295 CA CYS A 22 4.013 -0.540 -0.695 1.00 0.00 C ATOM 296 C CYS A 22 4.616 0.714 -1.332 1.00 0.00 C ATOM 297 O CYS A 22 5.477 1.364 -0.741 1.00 0.00 O ATOM 298 CB CYS A 22 4.024 -0.464 0.832 1.00 0.00 C ATOM 299 SG CYS A 22 3.101 0.950 1.538 1.00 0.00 S ATOM 0 H CYS A 22 5.258 -2.210 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 22 2.965 -0.626 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.605 -1.388 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.058 -0.410 1.171 1.00 0.00 H new ATOM 304 N TYR A 23 4.138 1.018 -2.531 1.00 0.00 N ATOM 305 CA TYR A 23 4.619 2.183 -3.254 1.00 0.00 C ATOM 306 C TYR A 23 3.636 3.348 -3.133 1.00 0.00 C ATOM 307 O TYR A 23 2.428 3.137 -3.031 1.00 0.00 O ATOM 308 CB TYR A 23 4.712 1.759 -4.722 1.00 0.00 C ATOM 309 CG TYR A 23 5.564 2.689 -5.586 1.00 0.00 C ATOM 310 CD1 TYR A 23 5.011 3.838 -6.117 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.886 2.382 -5.835 1.00 0.00 C ATOM 312 CE1 TYR A 23 5.813 4.714 -6.930 1.00 0.00 C ATOM 313 CE2 TYR A 23 7.689 3.259 -6.648 1.00 0.00 C ATOM 314 CZ TYR A 23 7.113 4.381 -7.155 1.00 0.00 C ATOM 315 OH TYR A 23 7.871 5.209 -7.923 1.00 0.00 O ATOM 0 H TYR A 23 3.423 0.478 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 23 5.577 2.515 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.126 0.752 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.706 1.712 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.976 4.079 -5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.319 1.484 -5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.393 5.615 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.725 3.030 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 23 8.778 4.846 -7.998 1.00 0.00 H new ATOM 325 N CYS A 24 4.188 4.552 -3.149 1.00 0.00 N ATOM 326 CA CYS A 24 3.375 5.751 -3.042 1.00 0.00 C ATOM 327 C CYS A 24 3.579 6.584 -4.308 1.00 0.00 C ATOM 328 O CYS A 24 4.711 6.896 -4.675 1.00 0.00 O ATOM 329 CB CYS A 24 3.703 6.546 -1.776 1.00 0.00 C ATOM 330 SG CYS A 24 4.285 5.537 -0.365 1.00 0.00 S ATOM 0 H CYS A 24 5.190 4.723 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 24 2.324 5.474 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.468 7.285 -2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.814 7.096 -1.469 1.00 0.00 H new ATOM 335 N ARG A 25 2.465 6.922 -4.941 1.00 0.00 N ATOM 336 CA ARG A 25 2.508 7.714 -6.159 1.00 0.00 C ATOM 337 C ARG A 25 2.997 9.131 -5.855 1.00 0.00 C ATOM 338 O ARG A 25 4.075 9.528 -6.296 1.00 0.00 O ATOM 339 CB ARG A 25 1.128 7.789 -6.816 1.00 0.00 C ATOM 340 CG ARG A 25 1.075 8.911 -7.855 1.00 0.00 C ATOM 341 CD ARG A 25 2.317 8.890 -8.751 1.00 0.00 C ATOM 342 NE ARG A 25 2.663 7.494 -9.101 1.00 0.00 N ATOM 343 CZ ARG A 25 3.330 7.142 -10.208 1.00 0.00 C ATOM 344 NH1 ARG A 25 3.726 8.079 -11.079 1.00 0.00 N ATOM 345 NH2 ARG A 25 3.601 5.851 -10.446 1.00 0.00 N ATOM 0 H ARG A 25 1.528 6.662 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 25 3.200 7.227 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.896 6.836 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.367 7.958 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.179 8.803 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.002 9.875 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.132 9.466 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.154 9.364 -8.238 1.00 0.00 H new ATOM 0 HE ARG A 25 2.376 6.755 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.520 9.062 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.234 7.810 -11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.299 5.136 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.109 5.584 -11.289 1.00 0.00 H new ATOM 359 N PHE A 26 2.183 9.855 -5.101 1.00 0.00 N ATOM 360 CA PHE A 26 2.518 11.220 -4.734 1.00 0.00 C ATOM 361 C PHE A 26 3.490 11.244 -3.551 1.00 0.00 C ATOM 362 O PHE A 26 4.213 10.277 -3.318 1.00 0.00 O ATOM 363 CB PHE A 26 1.214 11.906 -4.321 1.00 0.00 C ATOM 364 CG PHE A 26 1.110 13.366 -4.768 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.235 14.063 -5.080 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.107 13.965 -4.856 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.140 15.417 -5.495 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.204 15.319 -5.272 1.00 0.00 C ATOM 369 CZ PHE A 26 0.921 16.017 -5.583 1.00 0.00 C ATOM 0 H PHE A 26 1.292 9.522 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 26 2.994 11.726 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.375 11.349 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.120 11.861 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.202 13.586 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.001 13.411 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.034 15.971 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.171 15.795 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.847 17.047 -5.900 1.00 0.00 H new ATOM 379 N PHE A 27 3.474 12.360 -2.838 1.00 0.00 N ATOM 380 CA PHE A 27 4.346 12.524 -1.685 1.00 0.00 C ATOM 381 C PHE A 27 3.810 11.749 -0.480 1.00 0.00 C ATOM 382 O PHE A 27 4.468 10.835 0.017 1.00 0.00 O ATOM 383 CB PHE A 27 4.366 14.017 -1.348 1.00 0.00 C ATOM 384 CG PHE A 27 5.312 14.382 -0.203 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.633 14.072 -0.288 1.00 0.00 C ATOM 386 CD2 PHE A 27 4.831 15.017 0.899 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.511 14.413 0.776 1.00 0.00 C ATOM 388 CE2 PHE A 27 5.709 15.357 1.962 1.00 0.00 C ATOM 389 CZ PHE A 27 7.030 15.048 1.879 1.00 0.00 C ATOM 0 H PHE A 27 2.872 13.160 -3.035 1.00 0.00 H new ATOM 0 HA PHE A 27 5.342 12.145 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.656 14.576 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.356 14.334 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.015 13.567 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.781 15.263 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.561 14.168 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.327 15.862 2.837 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.697 15.306 2.688 1.00 0.00 H new ATOM 399 N ASN A 28 2.624 12.142 -0.043 1.00 0.00 N ATOM 400 CA ASN A 28 1.992 11.495 1.095 1.00 0.00 C ATOM 401 C ASN A 28 0.476 11.488 0.896 1.00 0.00 C ATOM 402 O ASN A 28 -0.237 12.291 1.495 1.00 0.00 O ATOM 403 CB ASN A 28 2.295 12.246 2.393 1.00 0.00 C ATOM 404 CG ASN A 28 2.278 11.298 3.593 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.991 10.309 3.645 1.00 0.00 O ATOM 406 ND2 ASN A 28 1.426 11.652 4.551 1.00 0.00 N ATOM 0 H ASN A 28 2.083 12.901 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 28 2.383 10.480 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.270 12.727 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.559 13.037 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.340 11.083 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.859 12.493 4.444 1.00 0.00 H new ATOM 413 N ALA A 29 0.026 10.570 0.052 1.00 0.00 N ATOM 414 CA ALA A 29 -1.394 10.448 -0.233 1.00 0.00 C ATOM 415 C ALA A 29 -1.694 9.023 -0.703 1.00 0.00 C ATOM 416 O ALA A 29 -2.200 8.206 0.064 1.00 0.00 O ATOM 417 CB ALA A 29 -1.799 11.499 -1.266 1.00 0.00 C ATOM 0 H ALA A 29 0.619 9.904 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.983 10.630 0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.864 11.408 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.592 12.494 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.230 11.346 -2.183 1.00 0.00 H new ATOM 423 N PHE A 30 -1.369 8.769 -1.963 1.00 0.00 N ATOM 424 CA PHE A 30 -1.597 7.456 -2.544 1.00 0.00 C ATOM 425 C PHE A 30 -0.414 6.524 -2.274 1.00 0.00 C ATOM 426 O PHE A 30 0.660 6.695 -2.849 1.00 0.00 O ATOM 427 CB PHE A 30 -1.740 7.656 -4.055 1.00 0.00 C ATOM 428 CG PHE A 30 -3.189 7.759 -4.534 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.042 8.635 -3.937 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.624 6.976 -5.558 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.388 8.730 -4.382 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.970 7.073 -6.002 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.823 7.947 -5.405 1.00 0.00 C ATOM 0 H PHE A 30 -0.950 9.449 -2.597 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.487 7.004 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.207 8.562 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.256 6.825 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.696 9.258 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.947 6.281 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.066 9.424 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.316 6.452 -6.815 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.846 8.019 -5.743 1.00 0.00 H new ATOM 443 N CYS A 31 -0.652 5.559 -1.399 1.00 0.00 N ATOM 444 CA CYS A 31 0.380 4.597 -1.046 1.00 0.00 C ATOM 445 C CYS A 31 -0.292 3.253 -0.762 1.00 0.00 C ATOM 446 O CYS A 31 -1.052 3.126 0.196 1.00 0.00 O ATOM 447 CB CYS A 31 1.218 5.079 0.140 1.00 0.00 C ATOM 448 SG CYS A 31 2.883 4.329 0.258 1.00 0.00 S ATOM 0 H CYS A 31 -1.544 5.422 -0.923 1.00 0.00 H new ATOM 0 HA CYS A 31 1.076 4.484 -1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.326 6.162 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.674 4.868 1.061 1.00 0.00 H new ATOM 453 N TYR A 32 0.012 2.284 -1.612 1.00 0.00 N ATOM 454 CA TYR A 32 -0.552 0.953 -1.465 1.00 0.00 C ATOM 455 C TYR A 32 0.451 -0.119 -1.892 1.00 0.00 C ATOM 456 O TYR A 32 1.534 0.198 -2.380 1.00 0.00 O ATOM 457 CB TYR A 32 -1.763 0.903 -2.399 1.00 0.00 C ATOM 458 CG TYR A 32 -1.702 1.908 -3.550 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.974 1.613 -4.686 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.375 3.109 -3.455 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.915 2.560 -5.770 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.318 4.055 -4.540 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.591 3.734 -5.643 1.00 0.00 C ATOM 464 OH TYR A 32 -1.536 4.627 -6.667 1.00 0.00 O ATOM 0 H TYR A 32 0.643 2.394 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.817 0.762 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.849 -0.102 -2.812 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.666 1.087 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.449 0.672 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.945 3.340 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.347 2.343 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.841 4.998 -4.479 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.426 4.147 -7.514 1.00 0.00 H new ATOM 474 N CYS A 33 0.056 -1.368 -1.691 1.00 0.00 N ATOM 475 CA CYS A 33 0.908 -2.489 -2.049 1.00 0.00 C ATOM 476 C CYS A 33 0.809 -2.705 -3.560 1.00 0.00 C ATOM 477 O CYS A 33 -0.289 -2.804 -4.106 1.00 0.00 O ATOM 478 CB CYS A 33 0.539 -3.752 -1.267 1.00 0.00 C ATOM 479 SG CYS A 33 1.597 -4.091 0.188 1.00 0.00 S ATOM 0 H CYS A 33 -0.843 -1.628 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 33 1.941 -2.264 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.496 -3.667 -0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.588 -4.607 -1.941 1.00 0.00 H new ATOM 484 N ARG A 34 1.971 -2.771 -4.193 1.00 0.00 N ATOM 485 CA ARG A 34 2.029 -2.972 -5.631 1.00 0.00 C ATOM 486 C ARG A 34 3.246 -3.824 -5.999 1.00 0.00 C ATOM 487 O ARG A 34 3.472 -4.877 -5.407 1.00 0.00 O ATOM 488 CB ARG A 34 2.107 -1.636 -6.372 1.00 0.00 C ATOM 489 CG ARG A 34 1.269 -1.668 -7.652 1.00 0.00 C ATOM 490 CD ARG A 34 1.920 -2.562 -8.711 1.00 0.00 C ATOM 491 NE ARG A 34 0.881 -3.323 -9.440 1.00 0.00 N ATOM 492 CZ ARG A 34 0.404 -4.512 -9.045 1.00 0.00 C ATOM 493 NH1 ARG A 34 0.871 -5.082 -7.926 1.00 0.00 N ATOM 494 NH2 ARG A 34 -0.539 -5.128 -9.769 1.00 0.00 N ATOM 0 H ARG A 34 2.880 -2.689 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 34 1.116 -3.487 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.754 -0.835 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.145 -1.413 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.268 -2.035 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.157 -0.657 -8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.494 -1.953 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.621 -3.250 -8.237 1.00 0.00 H new ATOM 0 HE ARG A 34 0.504 -2.917 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.589 -4.611 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.509 -5.987 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.894 -4.693 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.902 -6.033 -9.469 1.00 0.00 H new TER 508 ARG A 34