USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 hydrogens (2 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 ILE N :NH3+ -134:sc= -1.32 (180deg=-3.14!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -15.487 -12.388 5.038 1.00 0.00 N ATOM 2 CA ILE A 1 -15.900 -11.133 4.343 1.00 0.00 C ATOM 3 C ILE A 1 -14.698 -10.195 4.187 1.00 0.00 C ATOM 4 O ILE A 1 -13.624 -10.460 4.690 1.00 0.00 O ATOM 5 CB ILE A 1 -16.956 -10.498 5.250 1.00 0.00 C ATOM 6 CG1 ILE A 1 -16.321 -10.139 6.594 1.00 0.00 C ATOM 7 CG2 ILE A 1 -18.100 -11.490 5.475 1.00 0.00 C ATOM 8 CD1 ILE A 1 -16.034 -8.638 6.636 1.00 0.00 C ATOM 0 H1 ILE A 1 -15.879 -13.209 4.534 1.00 0.00 H new ATOM 0 H2 ILE A 1 -14.449 -12.453 5.050 1.00 0.00 H new ATOM 0 H3 ILE A 1 -15.844 -12.378 6.015 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.288 -11.328 3.343 1.00 0.00 H new ATOM 0 HB ILE A 1 -17.346 -9.596 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -16.989 -10.416 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -15.398 -10.701 6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -18.852 -11.037 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -18.552 -11.748 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -17.712 -12.392 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -15.581 -8.381 7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.350 -8.376 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -16.966 -8.086 6.515 1.00 0.00 H new ATOM 22 N LEU A 2 -14.871 -9.104 3.493 1.00 0.00 N ATOM 23 CA LEU A 2 -13.738 -8.154 3.306 1.00 0.00 C ATOM 24 C LEU A 2 -14.265 -6.766 2.940 1.00 0.00 C ATOM 25 O LEU A 2 -15.131 -6.633 2.099 1.00 0.00 O ATOM 26 CB LEU A 2 -12.919 -8.734 2.149 1.00 0.00 C ATOM 27 CG LEU A 2 -13.671 -8.521 0.832 1.00 0.00 C ATOM 28 CD1 LEU A 2 -13.272 -7.172 0.226 1.00 0.00 C ATOM 29 CD2 LEU A 2 -13.315 -9.641 -0.146 1.00 0.00 C ATOM 0 H LEU A 2 -15.747 -8.829 3.048 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.143 -8.041 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.942 -8.252 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.743 -9.797 2.311 1.00 0.00 H new ATOM 0 HG LEU A 2 -14.744 -8.531 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.808 -7.021 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.525 -6.372 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.199 -7.162 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.850 -9.489 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.242 -9.631 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.599 -10.602 0.283 1.00 0.00 H new ATOM 41 N PRO A 3 -13.711 -5.771 3.577 1.00 0.00 N ATOM 42 CA PRO A 3 -14.120 -4.377 3.302 1.00 0.00 C ATOM 43 C PRO A 3 -13.556 -3.929 1.959 1.00 0.00 C ATOM 44 O PRO A 3 -14.283 -3.594 1.044 1.00 0.00 O ATOM 45 CB PRO A 3 -13.507 -3.585 4.453 1.00 0.00 C ATOM 46 CG PRO A 3 -12.349 -4.410 4.922 1.00 0.00 C ATOM 47 CD PRO A 3 -12.661 -5.851 4.599 1.00 0.00 C ATOM 0 HA PRO A 3 -15.200 -4.243 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.180 -2.599 4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.230 -3.430 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.429 -4.096 4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.195 -4.281 5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.781 -6.375 4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.004 -6.392 5.481 1.00 0.00 H new ATOM 55 N TRP A 4 -12.261 -3.929 1.829 1.00 0.00 N ATOM 56 CA TRP A 4 -11.640 -3.514 0.545 1.00 0.00 C ATOM 57 C TRP A 4 -10.115 -3.596 0.637 1.00 0.00 C ATOM 58 O TRP A 4 -9.459 -2.671 1.075 1.00 0.00 O ATOM 59 CB TRP A 4 -12.093 -2.075 0.343 1.00 0.00 C ATOM 60 CG TRP A 4 -12.304 -1.833 -1.113 1.00 0.00 C ATOM 61 CD1 TRP A 4 -11.333 -1.811 -2.054 1.00 0.00 C ATOM 62 CD2 TRP A 4 -13.553 -1.591 -1.806 1.00 0.00 C ATOM 63 NE1 TRP A 4 -11.914 -1.571 -3.286 1.00 0.00 N ATOM 64 CE2 TRP A 4 -13.285 -1.428 -3.184 1.00 0.00 C ATOM 65 CE3 TRP A 4 -14.881 -1.498 -1.371 1.00 0.00 C ATOM 66 CZ2 TRP A 4 -14.306 -1.184 -4.100 1.00 0.00 C ATOM 67 CZ3 TRP A 4 -15.915 -1.250 -2.288 1.00 0.00 C ATOM 68 CH2 TRP A 4 -15.627 -1.095 -3.651 1.00 0.00 C ATOM 0 H TRP A 4 -11.604 -4.200 2.560 1.00 0.00 H new ATOM 0 HA TRP A 4 -11.935 -4.156 -0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -13.016 -1.890 0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -11.345 -1.386 0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.278 -1.957 -1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -11.395 -1.507 -4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -15.111 -1.618 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -14.079 -1.065 -5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -16.936 -1.178 -1.942 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -16.425 -0.907 -4.354 1.00 0.00 H new ATOM 79 N LYS A 5 -9.550 -4.695 0.224 1.00 0.00 N ATOM 80 CA LYS A 5 -8.068 -4.841 0.281 1.00 0.00 C ATOM 81 C LYS A 5 -7.394 -3.662 -0.422 1.00 0.00 C ATOM 82 O LYS A 5 -7.967 -3.032 -1.289 1.00 0.00 O ATOM 83 CB LYS A 5 -7.777 -6.144 -0.463 1.00 0.00 C ATOM 84 CG LYS A 5 -8.520 -6.143 -1.802 1.00 0.00 C ATOM 85 CD LYS A 5 -7.687 -6.881 -2.852 1.00 0.00 C ATOM 86 CE LYS A 5 -7.251 -5.896 -3.941 1.00 0.00 C ATOM 87 NZ LYS A 5 -6.913 -6.747 -5.116 1.00 0.00 N ATOM 0 H LYS A 5 -10.051 -5.500 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.691 -4.858 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.705 -6.249 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.091 -6.997 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.492 -6.624 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.706 -5.119 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.813 -7.334 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.270 -7.691 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.049 -5.192 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.392 -5.307 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.605 -6.143 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.146 -7.402 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.752 -7.291 -5.404 1.00 0.00 H new ATOM 101 N TRP A 6 -6.178 -3.358 -0.060 1.00 0.00 N ATOM 102 CA TRP A 6 -5.469 -2.223 -0.713 1.00 0.00 C ATOM 103 C TRP A 6 -3.996 -2.573 -0.930 1.00 0.00 C ATOM 104 O TRP A 6 -3.356 -3.135 -0.064 1.00 0.00 O ATOM 105 CB TRP A 6 -5.601 -1.054 0.258 1.00 0.00 C ATOM 106 CG TRP A 6 -6.005 0.167 -0.490 1.00 0.00 C ATOM 107 CD1 TRP A 6 -7.273 0.567 -0.716 1.00 0.00 C ATOM 108 CD2 TRP A 6 -5.148 1.143 -1.113 1.00 0.00 C ATOM 109 NE1 TRP A 6 -7.243 1.743 -1.446 1.00 0.00 N ATOM 110 CE2 TRP A 6 -5.945 2.138 -1.715 1.00 0.00 C ATOM 111 CE3 TRP A 6 -3.761 1.249 -1.204 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -5.375 3.215 -2.392 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -3.173 2.328 -1.883 1.00 0.00 C ATOM 114 CH2 TRP A 6 -3.980 3.311 -2.479 1.00 0.00 C ATOM 0 H TRP A 6 -5.645 -3.847 0.660 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.889 -1.988 -1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.341 -1.285 1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.654 -0.883 0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -8.164 0.055 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -8.073 2.254 -1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.135 0.496 -0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -6.003 3.968 -2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.097 2.402 -1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.526 4.139 -3.003 1.00 0.00 H new ATOM 125 N PRO A 7 -3.509 -2.224 -2.089 1.00 0.00 N ATOM 126 CA PRO A 7 -2.094 -2.500 -2.438 1.00 0.00 C ATOM 127 C PRO A 7 -1.164 -1.560 -1.666 1.00 0.00 C ATOM 128 O PRO A 7 -1.255 -0.353 -1.777 1.00 0.00 O ATOM 129 CB PRO A 7 -2.033 -2.221 -3.935 1.00 0.00 C ATOM 130 CG PRO A 7 -3.155 -1.265 -4.199 1.00 0.00 C ATOM 131 CD PRO A 7 -4.224 -1.544 -3.173 1.00 0.00 C ATOM 0 HA PRO A 7 -1.778 -3.513 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.073 -1.789 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.152 -3.138 -4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.809 -0.234 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.545 -1.398 -5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.693 -0.624 -2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.016 -2.171 -3.583 1.00 0.00 H new ATOM 139 N TRP A 8 -0.271 -2.101 -0.883 1.00 0.00 N ATOM 140 CA TRP A 8 0.663 -1.238 -0.105 1.00 0.00 C ATOM 141 C TRP A 8 1.622 -2.103 0.716 1.00 0.00 C ATOM 142 O TRP A 8 1.287 -2.583 1.779 1.00 0.00 O ATOM 143 CB TRP A 8 -0.236 -0.413 0.822 1.00 0.00 C ATOM 144 CG TRP A 8 0.148 1.034 0.791 1.00 0.00 C ATOM 145 CD1 TRP A 8 0.592 1.735 -0.284 1.00 0.00 C ATOM 146 CD2 TRP A 8 0.098 1.969 1.892 1.00 0.00 C ATOM 147 NE1 TRP A 8 0.836 3.041 0.110 1.00 0.00 N ATOM 148 CE2 TRP A 8 0.543 3.232 1.447 1.00 0.00 C ATOM 149 CE3 TRP A 8 -0.283 1.826 3.228 1.00 0.00 C ATOM 150 CZ2 TRP A 8 0.606 4.326 2.309 1.00 0.00 C ATOM 151 CZ3 TRP A 8 -0.224 2.922 4.105 1.00 0.00 C ATOM 152 CH2 TRP A 8 0.221 4.172 3.645 1.00 0.00 C ATOM 0 H TRP A 8 -0.148 -3.105 -0.748 1.00 0.00 H new ATOM 0 HA TRP A 8 1.274 -0.607 -0.750 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.277 -0.524 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.159 -0.792 1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.732 1.341 -1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.188 3.771 -0.510 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.625 0.867 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.949 5.284 1.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.522 2.803 5.136 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.266 5.013 4.321 1.00 0.00 H new ATOM 163 N TRP A 9 2.814 -2.302 0.228 1.00 0.00 N ATOM 164 CA TRP A 9 3.802 -3.130 0.972 1.00 0.00 C ATOM 165 C TRP A 9 4.923 -2.234 1.502 1.00 0.00 C ATOM 166 O TRP A 9 6.014 -2.217 0.966 1.00 0.00 O ATOM 167 CB TRP A 9 4.330 -4.118 -0.066 1.00 0.00 C ATOM 168 CG TRP A 9 5.307 -5.084 0.539 1.00 0.00 C ATOM 169 CD1 TRP A 9 6.017 -5.996 -0.165 1.00 0.00 C ATOM 170 CD2 TRP A 9 5.698 -5.257 1.932 1.00 0.00 C ATOM 171 NE1 TRP A 9 6.818 -6.715 0.705 1.00 0.00 N ATOM 172 CE2 TRP A 9 6.655 -6.298 2.009 1.00 0.00 C ATOM 173 CE3 TRP A 9 5.320 -4.623 3.122 1.00 0.00 C ATOM 174 CZ2 TRP A 9 7.215 -6.691 3.226 1.00 0.00 C ATOM 175 CZ3 TRP A 9 5.879 -5.013 4.350 1.00 0.00 C ATOM 176 CH2 TRP A 9 6.825 -6.045 4.401 1.00 0.00 C ATOM 0 H TRP A 9 3.148 -1.925 -0.659 1.00 0.00 H new ATOM 0 HA TRP A 9 3.373 -3.642 1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.497 -4.668 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.812 -3.572 -0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.967 -6.140 -1.234 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.451 -7.461 0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.591 -3.826 3.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.943 -7.488 3.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.578 -4.515 5.260 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.252 -6.341 5.348 1.00 0.00 H new ATOM 187 N PRO A 10 4.611 -1.514 2.545 1.00 0.00 N ATOM 188 CA PRO A 10 5.601 -0.599 3.165 1.00 0.00 C ATOM 189 C PRO A 10 6.698 -1.403 3.870 1.00 0.00 C ATOM 190 O PRO A 10 6.747 -1.475 5.082 1.00 0.00 O ATOM 191 CB PRO A 10 4.768 0.208 4.160 1.00 0.00 C ATOM 192 CG PRO A 10 3.592 -0.661 4.475 1.00 0.00 C ATOM 193 CD PRO A 10 3.318 -1.487 3.245 1.00 0.00 C ATOM 0 HA PRO A 10 6.116 0.037 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.340 0.438 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.452 1.159 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.803 -1.301 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.723 -0.056 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.982 -2.491 3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.539 -1.040 2.628 1.00 0.00 H new ATOM 201 N TRP A 11 7.568 -2.009 3.108 1.00 0.00 N ATOM 202 CA TRP A 11 8.673 -2.825 3.707 1.00 0.00 C ATOM 203 C TRP A 11 9.191 -2.185 4.991 1.00 0.00 C ATOM 204 O TRP A 11 9.583 -2.859 5.923 1.00 0.00 O ATOM 205 CB TRP A 11 9.780 -2.853 2.655 1.00 0.00 C ATOM 206 CG TRP A 11 10.598 -4.085 2.821 1.00 0.00 C ATOM 207 CD1 TRP A 11 11.465 -4.347 3.825 1.00 0.00 C ATOM 208 CD2 TRP A 11 10.625 -5.224 1.947 1.00 0.00 C ATOM 209 NE1 TRP A 11 12.024 -5.598 3.607 1.00 0.00 N ATOM 210 CE2 TRP A 11 11.530 -6.177 2.453 1.00 0.00 C ATOM 211 CE3 TRP A 11 9.941 -5.503 0.768 1.00 0.00 C ATOM 212 CZ2 TRP A 11 11.752 -7.388 1.794 1.00 0.00 C ATOM 213 CZ3 TRP A 11 10.153 -6.716 0.094 1.00 0.00 C ATOM 214 CH2 TRP A 11 11.059 -7.660 0.607 1.00 0.00 C ATOM 0 H TRP A 11 7.564 -1.976 2.089 1.00 0.00 H new ATOM 0 HA TRP A 11 8.327 -3.825 3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.346 -2.825 1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.411 -1.970 2.753 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.685 -3.693 4.656 1.00 0.00 H new ATOM 0 HE1 TRP A 11 12.712 -6.035 4.220 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.243 -4.782 0.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 12.451 -8.107 2.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.619 -6.924 -0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.221 -8.593 0.087 1.00 0.00 H new ATOM 225 N ARG A 12 9.198 -0.888 5.043 1.00 0.00 N ATOM 226 CA ARG A 12 9.696 -0.193 6.264 1.00 0.00 C ATOM 227 C ARG A 12 8.526 0.364 7.078 1.00 0.00 C ATOM 228 O ARG A 12 7.635 0.998 6.553 1.00 0.00 O ATOM 229 CB ARG A 12 10.574 0.936 5.743 1.00 0.00 C ATOM 230 CG ARG A 12 11.867 0.995 6.559 1.00 0.00 C ATOM 231 CD ARG A 12 11.876 2.265 7.416 1.00 0.00 C ATOM 232 NE ARG A 12 10.979 1.959 8.566 1.00 0.00 N ATOM 233 CZ ARG A 12 11.454 1.957 9.782 1.00 0.00 C ATOM 234 NH1 ARG A 12 11.558 3.077 10.444 1.00 0.00 N ATOM 235 NH2 ARG A 12 11.825 0.834 10.335 1.00 0.00 N ATOM 0 H ARG A 12 8.880 -0.274 4.293 1.00 0.00 H new ATOM 0 HA ARG A 12 10.244 -0.864 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.803 0.776 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.043 1.886 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.948 0.114 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.730 0.987 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.884 2.506 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.515 3.125 6.852 1.00 0.00 H new ATOM 0 HE ARG A 12 9.994 1.751 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.268 3.954 10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.929 3.075 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.744 -0.041 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.196 0.832 11.285 1.00 0.00 H new ATOM 249 N ARG A 13 8.524 0.122 8.362 1.00 0.00 N ATOM 250 CA ARG A 13 7.419 0.631 9.217 1.00 0.00 C ATOM 251 C ARG A 13 7.775 2.008 9.782 1.00 0.00 C ATOM 252 O ARG A 13 8.677 2.139 10.585 1.00 0.00 O ATOM 253 CB ARG A 13 7.298 -0.397 10.340 1.00 0.00 C ATOM 254 CG ARG A 13 5.910 -1.036 10.301 1.00 0.00 C ATOM 255 CD ARG A 13 5.873 -2.246 11.237 1.00 0.00 C ATOM 256 NE ARG A 13 5.667 -1.672 12.595 1.00 0.00 N ATOM 257 CZ ARG A 13 6.309 -2.168 13.617 1.00 0.00 C ATOM 258 NH1 ARG A 13 6.484 -3.458 13.716 1.00 0.00 N ATOM 259 NH2 ARG A 13 6.778 -1.375 14.540 1.00 0.00 N ATOM 0 H ARG A 13 9.243 -0.408 8.854 1.00 0.00 H new ATOM 0 HA ARG A 13 6.486 0.751 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.066 -1.163 10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.462 0.082 11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.156 -0.309 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.669 -1.344 9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.066 -2.928 10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.801 -2.815 11.185 1.00 0.00 H new ATOM 0 HE ARG A 13 5.024 -0.891 12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.119 -4.079 12.994 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.986 -3.845 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.643 -0.367 14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.280 -1.763 15.339 1.00 0.00 H new HETATM 273 N NH2 A 14 7.099 3.054 9.389 1.00 0.00 N TER 276 NH2 A 14