USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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 VAL N :NH3+ -168:sc= -0.23 (180deg=-0.492) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.434 -5.672 0.844 1.00 0.00 N ATOM 2 CA VAL A 1 -8.482 -4.216 1.132 1.00 0.00 C ATOM 3 C VAL A 1 -8.474 -3.405 -0.157 1.00 0.00 C ATOM 4 O VAL A 1 -7.762 -3.737 -1.102 1.00 0.00 O ATOM 5 CB VAL A 1 -7.284 -3.770 2.001 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.185 -4.628 3.252 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.982 -3.813 1.205 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.644 -6.205 1.712 1.00 0.00 H new ATOM 0 H2 VAL A 1 -9.139 -5.905 0.116 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.486 -5.927 0.502 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.408 -4.034 1.677 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.452 -2.737 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.336 -4.300 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.101 -4.529 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -7.047 -5.671 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.156 -3.494 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.801 -4.830 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.058 -3.145 0.347 1.00 0.00 H new ATOM 19 N ARG A 2 -9.256 -2.333 -0.190 1.00 0.00 N ATOM 20 CA ARG A 2 -9.305 -1.477 -1.367 1.00 0.00 C ATOM 21 C ARG A 2 -8.210 -0.420 -1.284 1.00 0.00 C ATOM 22 O ARG A 2 -8.301 0.637 -1.909 1.00 0.00 O ATOM 23 CB ARG A 2 -10.678 -0.812 -1.494 1.00 0.00 C ATOM 24 CG ARG A 2 -11.055 0.050 -0.300 1.00 0.00 C ATOM 25 CD ARG A 2 -12.425 0.681 -0.484 1.00 0.00 C ATOM 26 NE ARG A 2 -12.807 1.508 0.657 1.00 0.00 N ATOM 27 CZ ARG A 2 -13.967 2.153 0.746 1.00 0.00 C ATOM 28 NH1 ARG A 2 -14.856 2.065 -0.235 1.00 0.00 N ATOM 29 NH2 ARG A 2 -14.239 2.887 1.816 1.00 0.00 N ATOM 0 H ARG A 2 -9.860 -2.038 0.578 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.140 -2.090 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.691 -0.196 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.435 -1.585 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.051 -0.557 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.308 0.832 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.425 1.290 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.168 -0.103 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.147 1.596 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.651 1.502 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.745 2.561 -0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.558 2.958 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.129 3.381 1.883 1.00 0.00 H new ATOM 43 N ARG A 3 -7.174 -0.725 -0.501 1.00 0.00 N ATOM 44 CA ARG A 3 -6.043 0.179 -0.307 1.00 0.00 C ATOM 45 C ARG A 3 -4.801 -0.598 0.104 1.00 0.00 C ATOM 46 O ARG A 3 -4.690 -1.058 1.241 1.00 0.00 O ATOM 47 CB ARG A 3 -6.374 1.215 0.766 1.00 0.00 C ATOM 48 CG ARG A 3 -7.405 2.233 0.323 1.00 0.00 C ATOM 49 CD ARG A 3 -8.024 2.957 1.507 1.00 0.00 C ATOM 50 NE ARG A 3 -7.024 3.677 2.292 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.305 4.368 3.393 1.00 0.00 C ATOM 52 NH1 ARG A 3 -8.552 4.434 3.841 1.00 0.00 N ATOM 53 NH2 ARG A 3 -6.336 4.993 4.049 1.00 0.00 N ATOM 0 H ARG A 3 -7.097 -1.602 0.014 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.847 0.687 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.740 0.702 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.460 1.736 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.938 2.958 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.188 1.734 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.778 3.658 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.536 2.237 2.145 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.054 3.648 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.300 3.954 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.763 4.965 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.376 4.944 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.551 5.523 4.893 1.00 0.00 H new ATOM 67 N PHE A 4 -3.870 -0.735 -0.831 1.00 0.00 N ATOM 68 CA PHE A 4 -2.627 -1.452 -0.584 1.00 0.00 C ATOM 69 C PHE A 4 -1.703 -1.378 -1.786 1.00 0.00 C ATOM 70 O PHE A 4 -0.511 -1.112 -1.663 1.00 0.00 O ATOM 71 CB PHE A 4 -2.855 -2.928 -0.223 1.00 0.00 C ATOM 72 CG PHE A 4 -3.679 -3.686 -1.227 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.690 -3.048 -1.905 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.447 -5.025 -1.480 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.465 -3.713 -2.827 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.219 -5.710 -2.402 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.232 -5.052 -3.078 1.00 0.00 C ATOM 0 H PHE A 4 -3.954 -0.356 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.164 -0.959 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.887 -3.419 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.346 -2.981 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.880 -2.003 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.657 -5.541 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.252 -3.191 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.031 -6.756 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.837 -5.582 -3.798 1.00 0.00 H new ATOM 87 N ALA A 5 -2.260 -1.630 -2.949 1.00 0.00 N ATOM 88 CA ALA A 5 -1.495 -1.607 -4.170 1.00 0.00 C ATOM 89 C ALA A 5 -0.916 -0.223 -4.418 1.00 0.00 C ATOM 90 O ALA A 5 0.179 -0.086 -4.961 1.00 0.00 O ATOM 91 CB ALA A 5 -2.377 -2.037 -5.325 1.00 0.00 C ATOM 0 H ALA A 5 -3.247 -1.855 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.661 -2.303 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.800 -2.020 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.745 -3.047 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.221 -1.353 -5.412 1.00 0.00 H new ATOM 97 N TRP A 6 -1.666 0.803 -4.026 1.00 0.00 N ATOM 98 CA TRP A 6 -1.227 2.175 -4.221 1.00 0.00 C ATOM 99 C TRP A 6 -0.319 2.667 -3.088 1.00 0.00 C ATOM 100 O TRP A 6 0.002 3.855 -3.041 1.00 0.00 O ATOM 101 CB TRP A 6 -2.431 3.114 -4.384 1.00 0.00 C ATOM 102 CG TRP A 6 -3.374 3.079 -3.230 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.551 2.404 -3.170 1.00 0.00 C ATOM 104 CD2 TRP A 6 -3.224 3.743 -1.969 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.134 2.592 -1.952 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.342 3.408 -1.191 1.00 0.00 C ATOM 107 CE3 TRP A 6 -2.252 4.577 -1.416 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.511 3.876 0.112 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -2.415 5.030 -0.117 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.530 4.676 0.630 1.00 0.00 C ATOM 0 H TRP A 6 -2.575 0.708 -3.574 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.637 2.189 -5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.071 4.134 -4.517 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.971 2.845 -5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.964 1.806 -3.969 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.022 2.188 -1.655 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.385 4.865 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.385 3.616 0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.663 5.669 0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.625 5.040 1.642 1.00 0.00 H new ATOM 121 N TRP A 7 0.095 1.777 -2.167 1.00 0.00 N ATOM 122 CA TRP A 7 0.948 2.221 -1.055 1.00 0.00 C ATOM 123 C TRP A 7 1.446 1.115 -0.137 1.00 0.00 C ATOM 124 O TRP A 7 2.573 1.167 0.339 1.00 0.00 O ATOM 125 CB TRP A 7 0.183 3.180 -0.212 1.00 0.00 C ATOM 126 CG TRP A 7 -0.852 2.490 0.590 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.890 1.715 0.151 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.925 2.514 1.983 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.605 1.255 1.219 1.00 0.00 N ATOM 130 CE2 TRP A 7 -2.032 1.747 2.363 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.148 3.125 2.947 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -2.381 1.582 3.686 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.486 2.964 4.252 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.595 2.200 4.619 1.00 0.00 C ATOM 0 H TRP A 7 -0.137 0.784 -2.169 1.00 0.00 H new ATOM 0 HA TRP A 7 1.826 2.661 -1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 7 0.867 3.709 0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.288 3.930 -0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.111 1.500 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.425 0.649 1.174 1.00 0.00 H new ATOM 0 HE3 TRP A 7 0.710 3.718 2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.238 0.991 3.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 0.113 3.434 5.018 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.838 2.094 5.666 1.00 0.00 H new ATOM 145 N TRP A 8 0.615 0.141 0.158 1.00 0.00 N ATOM 146 CA TRP A 8 1.033 -0.924 1.038 1.00 0.00 C ATOM 147 C TRP A 8 2.380 -1.431 0.549 1.00 0.00 C ATOM 148 O TRP A 8 3.229 -1.862 1.329 1.00 0.00 O ATOM 149 CB TRP A 8 -0.030 -2.005 1.066 1.00 0.00 C ATOM 150 CG TRP A 8 0.499 -3.380 1.149 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.391 -4.328 0.194 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.195 -3.961 2.240 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.992 -5.489 0.616 1.00 0.00 N ATOM 154 CE2 TRP A 8 1.495 -5.286 1.879 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.597 -3.483 3.486 1.00 0.00 C ATOM 156 CZ2 TRP A 8 2.181 -6.145 2.729 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.278 -4.336 4.331 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.565 -5.654 3.948 1.00 0.00 C ATOM 0 H TRP A 8 -0.340 0.065 -0.193 1.00 0.00 H new ATOM 0 HA TRP A 8 1.150 -0.577 2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.687 -1.830 1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.643 -1.918 0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.096 -4.194 -0.761 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.054 -6.356 0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.380 -2.468 3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.403 -7.161 2.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.594 -3.983 5.301 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.101 -6.297 4.630 1.00 0.00 H new ATOM 169 N ALA A 9 2.580 -1.294 -0.758 1.00 0.00 N ATOM 170 CA ALA A 9 3.834 -1.650 -1.384 1.00 0.00 C ATOM 171 C ALA A 9 4.824 -0.497 -1.172 1.00 0.00 C ATOM 172 O ALA A 9 6.015 -0.699 -0.934 1.00 0.00 O ATOM 173 CB ALA A 9 3.629 -1.922 -2.866 1.00 0.00 C ATOM 0 H ALA A 9 1.877 -0.934 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 9 4.231 -2.561 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.582 -2.189 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.924 -2.744 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.233 -1.028 -3.349 1.00 0.00 H new ATOM 179 N PHE A 10 4.273 0.719 -1.245 1.00 0.00 N ATOM 180 CA PHE A 10 5.009 1.974 -1.050 1.00 0.00 C ATOM 181 C PHE A 10 5.852 1.945 0.230 1.00 0.00 C ATOM 182 O PHE A 10 7.036 2.282 0.209 1.00 0.00 O ATOM 183 CB PHE A 10 3.981 3.132 -0.985 1.00 0.00 C ATOM 184 CG PHE A 10 4.452 4.412 -0.349 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.724 4.913 -0.585 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.600 5.119 0.497 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.140 6.090 0.008 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.014 6.295 1.090 1.00 0.00 C ATOM 189 CZ PHE A 10 5.285 6.781 0.846 1.00 0.00 C ATOM 0 H PHE A 10 3.283 0.862 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 10 5.697 2.116 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.654 3.356 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.106 2.781 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.396 4.378 -1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.606 4.743 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.133 6.470 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.345 6.835 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.610 7.700 1.310 1.00 0.00 H new ATOM 199 N LEU A 11 5.228 1.573 1.346 1.00 0.00 N ATOM 200 CA LEU A 11 5.917 1.539 2.636 1.00 0.00 C ATOM 201 C LEU A 11 6.809 0.307 2.811 1.00 0.00 C ATOM 202 O LEU A 11 7.916 0.418 3.339 1.00 0.00 O ATOM 203 CB LEU A 11 4.901 1.649 3.783 1.00 0.00 C ATOM 204 CG LEU A 11 3.725 0.668 3.734 1.00 0.00 C ATOM 205 CD1 LEU A 11 4.143 -0.713 4.213 1.00 0.00 C ATOM 206 CD2 LEU A 11 2.564 1.189 4.566 1.00 0.00 C ATOM 0 H LEU A 11 4.248 1.291 1.384 1.00 0.00 H new ATOM 0 HA LEU A 11 6.584 2.401 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.430 1.505 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.502 2.663 3.793 1.00 0.00 H new ATOM 0 HG LEU A 11 3.402 0.582 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.288 -1.388 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.941 -1.094 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.500 -0.649 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.737 0.480 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.883 1.308 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.238 2.152 4.173 1.00 0.00 H new ATOM 218 N ARG A 12 6.336 -0.864 2.388 1.00 0.00 N ATOM 219 CA ARG A 12 7.123 -2.088 2.535 1.00 0.00 C ATOM 220 C ARG A 12 8.438 -1.988 1.769 1.00 0.00 C ATOM 221 O ARG A 12 9.392 -2.709 2.060 1.00 0.00 O ATOM 222 CB ARG A 12 6.333 -3.321 2.082 1.00 0.00 C ATOM 223 CG ARG A 12 5.929 -3.300 0.620 1.00 0.00 C ATOM 224 CD ARG A 12 5.252 -4.600 0.214 1.00 0.00 C ATOM 225 NE ARG A 12 4.874 -4.610 -1.198 1.00 0.00 N ATOM 226 CZ ARG A 12 5.749 -4.562 -2.200 1.00 0.00 C ATOM 227 NH1 ARG A 12 7.051 -4.514 -1.951 1.00 0.00 N ATOM 228 NH2 ARG A 12 5.321 -4.568 -3.455 1.00 0.00 N ATOM 0 H ARG A 12 5.425 -0.992 1.947 1.00 0.00 H new ATOM 0 HA ARG A 12 7.349 -2.204 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.933 -4.211 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.435 -3.408 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.253 -2.464 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.810 -3.137 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.924 -5.435 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.364 -4.751 0.827 1.00 0.00 H new ATOM 0 HE ARG A 12 3.882 -4.656 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.386 -4.514 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.717 -4.477 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.321 -4.609 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.992 -4.531 -4.223 1.00 0.00 H new ATOM 242 N ARG A 13 8.481 -1.085 0.793 1.00 0.00 N ATOM 243 CA ARG A 13 9.681 -0.881 -0.012 1.00 0.00 C ATOM 244 C ARG A 13 10.883 -0.602 0.887 1.00 0.00 C ATOM 245 O ARG A 13 11.926 -1.261 0.695 1.00 0.00 O ATOM 246 CB ARG A 13 9.460 0.277 -0.995 1.00 0.00 C ATOM 247 CG ARG A 13 10.622 0.530 -1.951 1.00 0.00 C ATOM 248 CD ARG A 13 11.764 1.281 -1.280 1.00 0.00 C ATOM 249 NE ARG A 13 12.858 1.567 -2.207 1.00 0.00 N ATOM 250 CZ ARG A 13 12.742 2.364 -3.266 1.00 0.00 C ATOM 251 NH1 ARG A 13 11.593 2.972 -3.524 1.00 0.00 N ATOM 252 NH2 ARG A 13 13.781 2.557 -4.067 1.00 0.00 N ATOM 0 H ARG A 13 7.698 -0.483 0.541 1.00 0.00 H new ATOM 0 HA ARG A 13 9.885 -1.788 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.563 0.073 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.270 1.187 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.990 -0.422 -2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.267 1.102 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.387 2.216 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.143 0.692 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 13 13.763 1.130 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.792 2.830 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.510 3.582 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.669 2.094 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.692 3.168 -4.879 1.00 0.00 H new HETATM 266 N NH2 A 14 10.779 0.316 1.840 1.00 0.00 N TER 269 NH2 A 14