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+ -126:sc= 0.199 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.78) USER MOD Single : A 7 SER OG : rot -170:sc= 0.00346 USER MOD Single : A 11 GLN : amide:sc= -4.88! C(o=-4.9!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 21 THR OG1 : rot 14:sc= 0.325! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 32 TYR OH : rot -159:sc= -0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.621 -7.578 7.995 1.00 0.00 N ATOM 2 CA CYS A 1 -3.508 -7.410 7.077 1.00 0.00 C ATOM 3 C CYS A 1 -3.908 -6.378 6.020 1.00 0.00 C ATOM 4 O CYS A 1 -4.947 -5.731 6.143 1.00 0.00 O ATOM 5 CB CYS A 1 -3.089 -8.739 6.446 1.00 0.00 C ATOM 6 SG CYS A 1 -4.355 -9.511 5.373 1.00 0.00 S ATOM 0 H1 CYS A 1 -4.293 -7.425 8.970 1.00 0.00 H new ATOM 0 H2 CYS A 1 -5.365 -6.888 7.768 1.00 0.00 H new ATOM 0 H3 CYS A 1 -5.003 -8.541 7.905 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.635 -7.051 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -2.185 -8.578 5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.832 -9.438 7.242 1.00 0.00 H new ATOM 11 N VAL A 2 -3.062 -6.256 5.008 1.00 0.00 N ATOM 12 CA VAL A 2 -3.315 -5.315 3.930 1.00 0.00 C ATOM 13 C VAL A 2 -3.065 -6.002 2.587 1.00 0.00 C ATOM 14 O VAL A 2 -1.997 -6.571 2.367 1.00 0.00 O ATOM 15 CB VAL A 2 -2.467 -4.056 4.127 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.637 -3.755 2.876 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.339 -2.858 4.507 1.00 0.00 C ATOM 0 H VAL A 2 -2.200 -6.793 4.912 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.357 -4.994 3.939 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.779 -4.242 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.043 -2.856 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.974 -4.595 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.302 -3.600 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.710 -1.978 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.063 -2.669 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.866 -3.072 5.437 1.00 0.00 H new ATOM 27 N ARG A 3 -4.068 -5.928 1.724 1.00 0.00 N ATOM 28 CA ARG A 3 -3.970 -6.536 0.408 1.00 0.00 C ATOM 29 C ARG A 3 -3.158 -5.642 -0.531 1.00 0.00 C ATOM 30 O ARG A 3 -2.766 -4.537 -0.157 1.00 0.00 O ATOM 31 CB ARG A 3 -5.355 -6.772 -0.193 1.00 0.00 C ATOM 32 CG ARG A 3 -6.325 -7.316 0.857 1.00 0.00 C ATOM 33 CD ARG A 3 -5.656 -8.390 1.718 1.00 0.00 C ATOM 34 NE ARG A 3 -4.938 -9.354 0.855 1.00 0.00 N ATOM 35 CZ ARG A 3 -5.544 -10.237 0.049 1.00 0.00 C ATOM 36 NH1 ARG A 3 -6.882 -10.282 -0.010 1.00 0.00 N ATOM 37 NH2 ARG A 3 -4.812 -11.075 -0.699 1.00 0.00 N ATOM 0 H ARG A 3 -4.953 -5.456 1.911 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.468 -7.497 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.742 -5.838 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.280 -7.475 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.674 -6.501 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.203 -7.734 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.960 -7.926 2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.406 -8.910 2.313 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.918 -9.346 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.439 -9.644 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.343 -10.954 -0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.794 -11.041 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.274 -11.747 -1.312 1.00 0.00 H new ATOM 51 N LEU A 4 -2.931 -6.151 -1.733 1.00 0.00 N ATOM 52 CA LEU A 4 -2.174 -5.412 -2.727 1.00 0.00 C ATOM 53 C LEU A 4 -2.873 -4.081 -3.010 1.00 0.00 C ATOM 54 O LEU A 4 -2.254 -3.021 -2.930 1.00 0.00 O ATOM 55 CB LEU A 4 -1.953 -6.267 -3.978 1.00 0.00 C ATOM 56 CG LEU A 4 -0.607 -6.090 -4.684 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.038 -7.444 -4.982 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.758 -5.236 -5.944 1.00 0.00 C ATOM 0 H LEU A 4 -3.259 -7.067 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.179 -5.177 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.060 -7.316 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.747 -6.044 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 4 0.064 -5.556 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.993 -7.289 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.201 -7.982 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.620 -8.027 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.213 -5.125 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.452 -5.720 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.143 -4.253 -5.673 1.00 0.00 H new ATOM 70 N HIS A 5 -4.155 -4.178 -3.331 1.00 0.00 N ATOM 71 CA HIS A 5 -4.945 -2.996 -3.624 1.00 0.00 C ATOM 72 C HIS A 5 -5.502 -2.415 -2.324 1.00 0.00 C ATOM 73 O HIS A 5 -6.681 -2.070 -2.248 1.00 0.00 O ATOM 74 CB HIS A 5 -6.037 -3.311 -4.649 1.00 0.00 C ATOM 75 CG HIS A 5 -6.936 -2.141 -4.968 1.00 0.00 C ATOM 76 ND1 HIS A 5 -8.294 -2.145 -4.702 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.657 -0.931 -5.534 1.00 0.00 C ATOM 78 CE1 HIS A 5 -8.800 -0.984 -5.094 1.00 0.00 C ATOM 79 NE2 HIS A 5 -7.785 -0.234 -5.610 1.00 0.00 N ATOM 0 H HIS A 5 -4.666 -5.059 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.311 -2.235 -4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.568 -3.657 -5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.647 -4.133 -4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.684 -0.597 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.835 -0.685 -5.018 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.877 0.707 -5.992 1.00 0.00 H new ATOM 88 N GLU A 6 -4.629 -2.325 -1.332 1.00 0.00 N ATOM 89 CA GLU A 6 -5.019 -1.792 -0.037 1.00 0.00 C ATOM 90 C GLU A 6 -3.954 -0.824 0.481 1.00 0.00 C ATOM 91 O GLU A 6 -2.847 -1.239 0.822 1.00 0.00 O ATOM 92 CB GLU A 6 -5.272 -2.920 0.967 1.00 0.00 C ATOM 93 CG GLU A 6 -6.679 -3.497 0.801 1.00 0.00 C ATOM 94 CD GLU A 6 -7.126 -4.223 2.070 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.332 -4.222 3.036 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.252 -4.765 2.047 1.00 0.00 O ATOM 0 H GLU A 6 -3.653 -2.612 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.953 -1.242 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.533 -3.709 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.147 -2.543 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.380 -2.695 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.696 -4.187 -0.042 1.00 0.00 H new ATOM 103 N SER A 7 -4.326 0.446 0.525 1.00 0.00 N ATOM 104 CA SER A 7 -3.417 1.477 0.998 1.00 0.00 C ATOM 105 C SER A 7 -2.500 0.909 2.083 1.00 0.00 C ATOM 106 O SER A 7 -2.910 0.043 2.855 1.00 0.00 O ATOM 107 CB SER A 7 -4.185 2.688 1.531 1.00 0.00 C ATOM 108 OG SER A 7 -3.578 3.233 2.699 1.00 0.00 O ATOM 0 H SER A 7 -5.245 0.785 0.241 1.00 0.00 H new ATOM 0 HA SER A 7 -2.810 1.809 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.236 3.454 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.210 2.396 1.758 1.00 0.00 H new ATOM 0 HG SER A 7 -4.176 3.898 3.098 1.00 0.00 H new ATOM 114 N CYS A 8 -1.279 1.420 2.109 1.00 0.00 N ATOM 115 CA CYS A 8 -0.301 0.974 3.088 1.00 0.00 C ATOM 116 C CYS A 8 0.158 2.190 3.896 1.00 0.00 C ATOM 117 O CYS A 8 1.056 2.082 4.728 1.00 0.00 O ATOM 118 CB CYS A 8 0.874 0.252 2.425 1.00 0.00 C ATOM 119 SG CYS A 8 2.359 0.076 3.480 1.00 0.00 S ATOM 0 H CYS A 8 -0.943 2.139 1.468 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.758 0.246 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.545 -0.740 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.150 0.792 1.520 1.00 0.00 H new ATOM 124 N LEU A 9 -0.480 3.319 3.620 1.00 0.00 N ATOM 125 CA LEU A 9 -0.148 4.552 4.311 1.00 0.00 C ATOM 126 C LEU A 9 -0.681 4.490 5.744 1.00 0.00 C ATOM 127 O LEU A 9 -1.809 4.056 5.972 1.00 0.00 O ATOM 128 CB LEU A 9 -0.652 5.761 3.520 1.00 0.00 C ATOM 129 CG LEU A 9 -1.899 6.454 4.075 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.525 7.705 4.869 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.898 6.762 2.957 1.00 0.00 C ATOM 0 H LEU A 9 -1.224 3.404 2.928 1.00 0.00 H new ATOM 0 HA LEU A 9 0.933 4.671 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.152 6.494 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.863 5.440 2.500 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.390 5.770 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.430 8.177 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.880 7.427 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.998 8.404 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.775 7.254 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.431 7.418 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.200 5.833 2.473 1.00 0.00 H new ATOM 143 N GLY A 10 0.155 4.929 6.673 1.00 0.00 N ATOM 144 CA GLY A 10 -0.217 4.928 8.076 1.00 0.00 C ATOM 145 C GLY A 10 -0.757 3.560 8.500 1.00 0.00 C ATOM 146 O GLY A 10 -1.577 3.466 9.413 1.00 0.00 O ATOM 0 H GLY A 10 1.090 5.288 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.649 5.186 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.973 5.693 8.256 1.00 0.00 H new ATOM 150 N GLN A 11 -0.274 2.533 7.816 1.00 0.00 N ATOM 151 CA GLN A 11 -0.698 1.174 8.111 1.00 0.00 C ATOM 152 C GLN A 11 -0.001 0.663 9.373 1.00 0.00 C ATOM 153 O GLN A 11 1.043 1.180 9.764 1.00 0.00 O ATOM 154 CB GLN A 11 -0.429 0.247 6.923 1.00 0.00 C ATOM 155 CG GLN A 11 0.215 -1.061 7.383 1.00 0.00 C ATOM 156 CD GLN A 11 1.650 -0.829 7.861 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.975 -0.979 9.028 1.00 0.00 O ATOM 158 NE2 GLN A 11 2.487 -0.453 6.898 1.00 0.00 N ATOM 0 H GLN A 11 0.406 2.614 7.060 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.773 1.180 8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.364 0.034 6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.225 0.747 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.375 -1.496 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.213 -1.779 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.149 -0.346 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.467 -0.271 7.116 1.00 0.00 H new ATOM 167 N GLN A 12 -0.610 -0.349 9.976 1.00 0.00 N ATOM 168 CA GLN A 12 -0.061 -0.936 11.188 1.00 0.00 C ATOM 169 C GLN A 12 0.065 -2.453 11.032 1.00 0.00 C ATOM 170 O GLN A 12 0.825 -3.094 11.756 1.00 0.00 O ATOM 171 CB GLN A 12 -0.916 -0.579 12.406 1.00 0.00 C ATOM 172 CG GLN A 12 -0.175 0.387 13.332 1.00 0.00 C ATOM 173 CD GLN A 12 -1.116 0.962 14.392 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.053 0.321 14.840 1.00 0.00 O ATOM 175 NE2 GLN A 12 -0.817 2.202 14.766 1.00 0.00 N ATOM 0 H GLN A 12 -1.476 -0.777 9.649 1.00 0.00 H new ATOM 0 HA GLN A 12 0.934 -0.523 11.351 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.852 -0.128 12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.174 -1.486 12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.652 -0.131 13.818 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.257 1.198 12.746 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.018 2.681 14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.386 2.674 15.468 1.00 0.00 H new ATOM 184 N VAL A 13 -0.691 -2.983 10.081 1.00 0.00 N ATOM 185 CA VAL A 13 -0.675 -4.412 9.822 1.00 0.00 C ATOM 186 C VAL A 13 0.168 -4.689 8.574 1.00 0.00 C ATOM 187 O VAL A 13 0.334 -3.813 7.728 1.00 0.00 O ATOM 188 CB VAL A 13 -2.105 -4.942 9.707 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.404 -5.961 10.808 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.118 -3.795 9.734 1.00 0.00 C ATOM 0 H VAL A 13 -1.318 -2.448 9.481 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.213 -4.945 10.653 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.197 -5.450 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.427 -6.321 10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.713 -6.800 10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.285 -5.489 11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.127 -4.199 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.023 -3.247 10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.927 -3.121 8.899 1.00 0.00 H new ATOM 200 N PRO A 14 0.687 -5.943 8.498 1.00 0.00 N ATOM 201 CA PRO A 14 1.507 -6.346 7.369 1.00 0.00 C ATOM 202 C PRO A 14 0.647 -6.590 6.126 1.00 0.00 C ATOM 203 O PRO A 14 -0.568 -6.746 6.228 1.00 0.00 O ATOM 204 CB PRO A 14 2.239 -7.592 7.839 1.00 0.00 C ATOM 205 CG PRO A 14 1.460 -8.106 9.037 1.00 0.00 C ATOM 206 CD PRO A 14 0.510 -7.006 9.482 1.00 0.00 C ATOM 0 HA PRO A 14 2.215 -5.575 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.280 -8.342 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.268 -7.360 8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.905 -9.006 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.138 -8.375 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.521 -7.358 9.503 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.749 -6.659 10.487 1.00 0.00 H new ATOM 214 N CYS A 15 1.312 -6.616 4.980 1.00 0.00 N ATOM 215 CA CYS A 15 0.624 -6.839 3.720 1.00 0.00 C ATOM 216 C CYS A 15 0.483 -8.348 3.509 1.00 0.00 C ATOM 217 O CYS A 15 1.482 -9.057 3.385 1.00 0.00 O ATOM 218 CB CYS A 15 1.349 -6.165 2.554 1.00 0.00 C ATOM 219 SG CYS A 15 0.341 -5.961 1.040 1.00 0.00 S ATOM 0 H CYS A 15 2.320 -6.486 4.898 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.366 -6.385 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.695 -5.184 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.235 -6.750 2.308 1.00 0.00 H new ATOM 224 N CYS A 16 -0.763 -8.794 3.476 1.00 0.00 N ATOM 225 CA CYS A 16 -1.046 -10.207 3.283 1.00 0.00 C ATOM 226 C CYS A 16 -0.187 -10.715 2.123 1.00 0.00 C ATOM 227 O CYS A 16 0.190 -11.885 2.091 1.00 0.00 O ATOM 228 CB CYS A 16 -2.537 -10.457 3.042 1.00 0.00 C ATOM 229 SG CYS A 16 -3.451 -11.102 4.489 1.00 0.00 S ATOM 0 H CYS A 16 -1.588 -8.203 3.579 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.794 -10.758 4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.001 -9.523 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.644 -11.163 2.218 1.00 0.00 H new ATOM 234 N ASP A 17 0.096 -9.810 1.197 1.00 0.00 N ATOM 235 CA ASP A 17 0.903 -10.152 0.039 1.00 0.00 C ATOM 236 C ASP A 17 2.363 -9.788 0.314 1.00 0.00 C ATOM 237 O ASP A 17 2.680 -8.625 0.556 1.00 0.00 O ATOM 238 CB ASP A 17 0.447 -9.377 -1.198 1.00 0.00 C ATOM 239 CG ASP A 17 -0.758 -9.972 -1.928 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.819 -10.082 -1.277 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.591 -10.305 -3.122 1.00 0.00 O ATOM 0 H ASP A 17 -0.220 -8.840 1.226 1.00 0.00 H new ATOM 0 HA ASP A 17 0.793 -11.221 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.204 -8.357 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.281 -9.315 -1.897 1.00 0.00 H new ATOM 246 N PRO A 18 3.235 -10.831 0.268 1.00 0.00 N ATOM 247 CA PRO A 18 4.654 -10.631 0.509 1.00 0.00 C ATOM 248 C PRO A 18 5.327 -9.969 -0.695 1.00 0.00 C ATOM 249 O PRO A 18 6.338 -9.284 -0.547 1.00 0.00 O ATOM 250 CB PRO A 18 5.201 -12.018 0.806 1.00 0.00 C ATOM 251 CG PRO A 18 4.169 -12.997 0.267 1.00 0.00 C ATOM 252 CD PRO A 18 2.894 -12.221 -0.017 1.00 0.00 C ATOM 0 HA PRO A 18 4.848 -9.953 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.169 -12.167 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.351 -12.158 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.535 -13.476 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.980 -13.790 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.576 -12.347 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.073 -12.564 0.612 1.00 0.00 H new ATOM 260 N ALA A 19 4.740 -10.196 -1.861 1.00 0.00 N ATOM 261 CA ALA A 19 5.271 -9.631 -3.089 1.00 0.00 C ATOM 262 C ALA A 19 4.734 -8.209 -3.263 1.00 0.00 C ATOM 263 O ALA A 19 4.916 -7.597 -4.316 1.00 0.00 O ATOM 264 CB ALA A 19 4.911 -10.538 -4.267 1.00 0.00 C ATOM 0 H ALA A 19 3.901 -10.764 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 19 6.358 -9.571 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.310 -10.113 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.339 -11.528 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.827 -10.620 -4.345 1.00 0.00 H new ATOM 270 N ALA A 20 4.082 -7.723 -2.217 1.00 0.00 N ATOM 271 CA ALA A 20 3.519 -6.385 -2.241 1.00 0.00 C ATOM 272 C ALA A 20 4.492 -5.413 -1.572 1.00 0.00 C ATOM 273 O ALA A 20 4.964 -5.666 -0.465 1.00 0.00 O ATOM 274 CB ALA A 20 2.147 -6.396 -1.562 1.00 0.00 C ATOM 0 H ALA A 20 3.931 -8.233 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 20 3.373 -6.050 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.724 -5.392 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.484 -7.079 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.255 -6.726 -0.529 1.00 0.00 H new ATOM 280 N THR A 21 4.766 -4.322 -2.274 1.00 0.00 N ATOM 281 CA THR A 21 5.674 -3.311 -1.761 1.00 0.00 C ATOM 282 C THR A 21 4.920 -2.012 -1.473 1.00 0.00 C ATOM 283 O THR A 21 4.168 -1.527 -2.316 1.00 0.00 O ATOM 284 CB THR A 21 6.811 -3.142 -2.773 1.00 0.00 C ATOM 285 OG1 THR A 21 6.204 -2.460 -3.866 1.00 0.00 O ATOM 286 CG2 THR A 21 7.266 -4.475 -3.370 1.00 0.00 C ATOM 0 H THR A 21 4.375 -4.117 -3.193 1.00 0.00 H new ATOM 0 HA THR A 21 6.108 -3.615 -0.808 1.00 0.00 H new ATOM 0 HB THR A 21 7.657 -2.653 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.335 -2.102 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.073 -4.299 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.621 -5.128 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.429 -4.949 -3.882 1.00 0.00 H new ATOM 294 N CYS A 22 5.147 -1.486 -0.278 1.00 0.00 N ATOM 295 CA CYS A 22 4.498 -0.253 0.133 1.00 0.00 C ATOM 296 C CYS A 22 4.931 0.860 -0.826 1.00 0.00 C ATOM 297 O CYS A 22 5.862 1.607 -0.533 1.00 0.00 O ATOM 298 CB CYS A 22 4.812 0.095 1.588 1.00 0.00 C ATOM 299 SG CYS A 22 3.667 1.298 2.356 1.00 0.00 S ATOM 0 H CYS A 22 5.772 -1.892 0.419 1.00 0.00 H new ATOM 0 HA CYS A 22 3.416 -0.375 0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.800 -0.822 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.825 0.495 1.640 1.00 0.00 H new ATOM 304 N TYR A 23 4.233 0.932 -1.950 1.00 0.00 N ATOM 305 CA TYR A 23 4.532 1.941 -2.952 1.00 0.00 C ATOM 306 C TYR A 23 3.559 3.117 -2.854 1.00 0.00 C ATOM 307 O TYR A 23 2.382 2.930 -2.548 1.00 0.00 O ATOM 308 CB TYR A 23 4.352 1.255 -4.307 1.00 0.00 C ATOM 309 CG TYR A 23 5.139 1.907 -5.445 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.482 1.635 -5.599 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.504 2.768 -6.318 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.224 2.250 -6.670 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.245 3.382 -7.389 1.00 0.00 C ATOM 314 CZ TYR A 23 6.568 3.093 -7.513 1.00 0.00 C ATOM 315 OH TYR A 23 7.267 3.673 -8.523 1.00 0.00 O ATOM 0 H TYR A 23 3.462 0.309 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 23 5.539 2.334 -2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.658 0.213 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.293 1.255 -4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.978 0.961 -4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.452 2.981 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.277 2.047 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.761 4.057 -8.079 1.00 0.00 H new ATOM 0 HH TYR A 23 6.670 4.249 -9.045 1.00 0.00 H new ATOM 325 N CYS A 24 4.085 4.303 -3.121 1.00 0.00 N ATOM 326 CA CYS A 24 3.279 5.510 -3.068 1.00 0.00 C ATOM 327 C CYS A 24 3.574 6.342 -4.316 1.00 0.00 C ATOM 328 O CYS A 24 4.727 6.672 -4.588 1.00 0.00 O ATOM 329 CB CYS A 24 3.529 6.302 -1.782 1.00 0.00 C ATOM 330 SG CYS A 24 4.197 5.317 -0.391 1.00 0.00 S ATOM 0 H CYS A 24 5.061 4.454 -3.375 1.00 0.00 H new ATOM 0 HA CYS A 24 2.222 5.243 -3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.223 7.113 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.592 6.761 -1.467 1.00 0.00 H new ATOM 335 N ARG A 25 2.513 6.657 -5.044 1.00 0.00 N ATOM 336 CA ARG A 25 2.644 7.443 -6.259 1.00 0.00 C ATOM 337 C ARG A 25 3.180 8.838 -5.930 1.00 0.00 C ATOM 338 O ARG A 25 4.254 9.219 -6.394 1.00 0.00 O ATOM 339 CB ARG A 25 1.299 7.577 -6.976 1.00 0.00 C ATOM 340 CG ARG A 25 1.355 8.672 -8.044 1.00 0.00 C ATOM 341 CD ARG A 25 2.616 8.543 -8.897 1.00 0.00 C ATOM 342 NE ARG A 25 2.880 7.120 -9.199 1.00 0.00 N ATOM 343 CZ ARG A 25 3.537 6.690 -10.285 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.002 7.574 -11.180 1.00 0.00 N ATOM 345 NH2 ARG A 25 3.730 5.378 -10.478 1.00 0.00 N ATOM 0 H ARG A 25 1.558 6.382 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 25 3.343 6.926 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.033 6.626 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.518 7.809 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.473 8.609 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.334 9.652 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.497 9.104 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.467 8.975 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 25 2.540 6.421 -8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.856 8.573 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.502 7.248 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.377 4.705 -9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.230 5.052 -11.305 1.00 0.00 H new ATOM 359 N PHE A 26 2.406 9.563 -5.136 1.00 0.00 N ATOM 360 CA PHE A 26 2.790 10.908 -4.741 1.00 0.00 C ATOM 361 C PHE A 26 3.582 10.891 -3.433 1.00 0.00 C ATOM 362 O PHE A 26 4.177 9.876 -3.077 1.00 0.00 O ATOM 363 CB PHE A 26 1.497 11.699 -4.532 1.00 0.00 C ATOM 364 CG PHE A 26 1.572 13.151 -5.004 1.00 0.00 C ATOM 365 CD1 PHE A 26 1.856 13.431 -6.304 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.355 14.165 -4.123 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.925 14.779 -6.742 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.425 15.514 -4.561 1.00 0.00 C ATOM 369 CZ PHE A 26 1.708 15.792 -5.861 1.00 0.00 C ATOM 0 H PHE A 26 1.515 9.245 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 26 3.421 11.355 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.687 11.197 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.242 11.685 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.029 12.627 -7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.129 13.944 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.150 15.000 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.253 16.319 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.761 16.818 -6.194 1.00 0.00 H new ATOM 379 N PHE A 27 3.563 12.027 -2.752 1.00 0.00 N ATOM 380 CA PHE A 27 4.271 12.155 -1.490 1.00 0.00 C ATOM 381 C PHE A 27 3.503 11.473 -0.357 1.00 0.00 C ATOM 382 O PHE A 27 3.980 10.498 0.221 1.00 0.00 O ATOM 383 CB PHE A 27 4.380 13.652 -1.189 1.00 0.00 C ATOM 384 CG PHE A 27 5.195 13.976 0.066 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.533 13.730 0.089 1.00 0.00 C ATOM 386 CD2 PHE A 27 4.582 14.508 1.157 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.289 14.032 1.253 1.00 0.00 C ATOM 388 CE2 PHE A 27 5.338 14.809 2.320 1.00 0.00 C ATOM 389 CZ PHE A 27 6.676 14.564 2.344 1.00 0.00 C ATOM 0 H PHE A 27 3.068 12.868 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 27 5.250 11.682 -1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.834 14.152 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.377 14.063 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.020 13.306 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.520 14.702 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.351 13.839 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.851 15.233 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.251 14.792 3.229 1.00 0.00 H new ATOM 399 N ASN A 28 2.326 12.011 -0.076 1.00 0.00 N ATOM 400 CA ASN A 28 1.487 11.465 0.977 1.00 0.00 C ATOM 401 C ASN A 28 0.016 11.636 0.590 1.00 0.00 C ATOM 402 O ASN A 28 -0.670 12.514 1.112 1.00 0.00 O ATOM 403 CB ASN A 28 1.715 12.199 2.300 1.00 0.00 C ATOM 404 CG ASN A 28 1.482 11.268 3.490 1.00 0.00 C ATOM 405 OD1 ASN A 28 0.499 11.369 4.209 1.00 0.00 O ATOM 406 ND2 ASN A 28 2.437 10.359 3.662 1.00 0.00 N ATOM 0 H ASN A 28 1.933 12.819 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 28 1.742 10.412 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.732 12.589 2.333 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.043 13.055 2.366 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.374 9.692 4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.233 10.329 3.025 1.00 0.00 H new ATOM 413 N ALA A 29 -0.426 10.781 -0.321 1.00 0.00 N ATOM 414 CA ALA A 29 -1.803 10.826 -0.783 1.00 0.00 C ATOM 415 C ALA A 29 -2.200 9.450 -1.323 1.00 0.00 C ATOM 416 O ALA A 29 -3.324 8.997 -1.110 1.00 0.00 O ATOM 417 CB ALA A 29 -1.954 11.930 -1.832 1.00 0.00 C ATOM 0 H ALA A 29 0.145 10.053 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.477 11.064 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.987 11.964 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.688 12.890 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.295 11.723 -2.675 1.00 0.00 H new ATOM 423 N PHE A 30 -1.256 8.826 -2.010 1.00 0.00 N ATOM 424 CA PHE A 30 -1.493 7.511 -2.583 1.00 0.00 C ATOM 425 C PHE A 30 -0.357 6.548 -2.235 1.00 0.00 C ATOM 426 O PHE A 30 0.744 6.661 -2.773 1.00 0.00 O ATOM 427 CB PHE A 30 -1.549 7.688 -4.102 1.00 0.00 C ATOM 428 CG PHE A 30 -2.962 7.896 -4.652 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.990 7.133 -4.193 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.189 8.844 -5.600 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.301 7.326 -4.704 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.501 9.036 -6.110 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.527 8.274 -5.652 1.00 0.00 C ATOM 0 H PHE A 30 -0.325 9.206 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.420 7.095 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.932 8.542 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.111 6.810 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.809 6.380 -3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.373 9.450 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.118 6.720 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.682 9.789 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.524 8.421 -6.041 1.00 0.00 H new ATOM 443 N CYS A 31 -0.661 5.622 -1.337 1.00 0.00 N ATOM 444 CA CYS A 31 0.321 4.640 -0.911 1.00 0.00 C ATOM 445 C CYS A 31 -0.411 3.336 -0.592 1.00 0.00 C ATOM 446 O CYS A 31 -1.289 3.307 0.268 1.00 0.00 O ATOM 447 CB CYS A 31 1.141 5.141 0.280 1.00 0.00 C ATOM 448 SG CYS A 31 2.764 4.323 0.491 1.00 0.00 S ATOM 0 H CYS A 31 -1.575 5.531 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 31 1.037 4.466 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.302 6.213 0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.558 5.000 1.190 1.00 0.00 H new ATOM 453 N TYR A 32 -0.021 2.288 -1.302 1.00 0.00 N ATOM 454 CA TYR A 32 -0.629 0.983 -1.105 1.00 0.00 C ATOM 455 C TYR A 32 0.388 -0.138 -1.334 1.00 0.00 C ATOM 456 O TYR A 32 1.591 0.114 -1.392 1.00 0.00 O ATOM 457 CB TYR A 32 -1.738 0.871 -2.153 1.00 0.00 C ATOM 458 CG TYR A 32 -1.752 2.015 -3.168 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.660 2.225 -3.986 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.854 2.838 -3.265 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.673 3.303 -4.942 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.867 3.917 -4.220 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.776 4.095 -5.013 1.00 0.00 C ATOM 464 OH TYR A 32 -1.788 5.113 -5.915 1.00 0.00 O ATOM 0 H TYR A 32 0.708 2.316 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.005 0.886 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.626 -0.073 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.702 0.838 -1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.204 1.581 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.708 2.674 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.175 3.478 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.723 4.570 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.451 5.782 -5.644 1.00 0.00 H new ATOM 474 N CYS A 33 -0.132 -1.350 -1.460 1.00 0.00 N ATOM 475 CA CYS A 33 0.715 -2.508 -1.682 1.00 0.00 C ATOM 476 C CYS A 33 0.822 -2.744 -3.190 1.00 0.00 C ATOM 477 O CYS A 33 -0.044 -3.382 -3.785 1.00 0.00 O ATOM 478 CB CYS A 33 0.190 -3.743 -0.948 1.00 0.00 C ATOM 479 SG CYS A 33 0.707 -3.874 0.803 1.00 0.00 S ATOM 0 H CYS A 33 -1.130 -1.555 -1.412 1.00 0.00 H new ATOM 0 HA CYS A 33 1.707 -2.318 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.899 -3.738 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.526 -4.634 -1.479 1.00 0.00 H new ATOM 484 N ARG A 34 1.892 -2.215 -3.765 1.00 0.00 N ATOM 485 CA ARG A 34 2.124 -2.359 -5.193 1.00 0.00 C ATOM 486 C ARG A 34 3.466 -3.049 -5.445 1.00 0.00 C ATOM 487 O ARG A 34 3.663 -4.195 -5.044 1.00 0.00 O ATOM 488 CB ARG A 34 2.119 -0.998 -5.890 1.00 0.00 C ATOM 489 CG ARG A 34 1.311 -1.053 -7.190 1.00 0.00 C ATOM 490 CD ARG A 34 2.100 -1.752 -8.298 1.00 0.00 C ATOM 491 NE ARG A 34 1.200 -2.619 -9.090 1.00 0.00 N ATOM 492 CZ ARG A 34 0.904 -3.887 -8.771 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.436 -4.442 -7.674 1.00 0.00 N ATOM 494 NH2 ARG A 34 0.077 -4.598 -9.549 1.00 0.00 N ATOM 0 H ARG A 34 2.608 -1.686 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 34 1.317 -2.967 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.695 -0.246 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.143 -0.692 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.374 -1.582 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.053 -0.042 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.568 -1.011 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.903 -2.348 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 34 0.778 -2.227 -9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.066 -3.900 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.211 -5.407 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.327 -4.175 -10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.148 -5.563 -9.306 1.00 0.00 H new