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+ 150:sc= -0.0931 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.641 -4.417 1.263 1.00 0.00 N ATOM 2 CA VAL A 1 -8.862 -3.158 1.138 1.00 0.00 C ATOM 3 C VAL A 1 -8.652 -2.775 -0.321 1.00 0.00 C ATOM 4 O VAL A 1 -8.398 -3.627 -1.173 1.00 0.00 O ATOM 5 CB VAL A 1 -7.485 -3.272 1.827 1.00 0.00 C ATOM 6 CG1 VAL A 1 -6.750 -4.514 1.349 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.645 -2.021 1.573 1.00 0.00 C ATOM 0 H1 VAL A 1 -9.357 -4.916 2.130 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.656 -4.194 1.308 1.00 0.00 H new ATOM 0 H3 VAL A 1 -9.456 -5.023 0.438 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.447 -2.383 1.633 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.649 -3.360 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.782 -4.577 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.339 -5.400 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.602 -4.457 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.679 -2.124 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.492 -1.897 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -7.164 -1.148 1.969 1.00 0.00 H new ATOM 19 N ARG A 2 -8.743 -1.479 -0.590 1.00 0.00 N ATOM 20 CA ARG A 2 -8.546 -0.949 -1.931 1.00 0.00 C ATOM 21 C ARG A 2 -7.685 0.302 -1.851 1.00 0.00 C ATOM 22 O ARG A 2 -7.834 1.237 -2.640 1.00 0.00 O ATOM 23 CB ARG A 2 -9.892 -0.635 -2.602 1.00 0.00 C ATOM 24 CG ARG A 2 -10.691 0.478 -1.931 1.00 0.00 C ATOM 25 CD ARG A 2 -11.123 0.106 -0.520 1.00 0.00 C ATOM 26 NE ARG A 2 -11.864 -1.152 -0.484 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.363 -1.681 0.630 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.222 -1.052 1.790 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.008 -2.839 0.583 1.00 0.00 N ATOM 0 H ARG A 2 -8.954 -0.770 0.112 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.042 -1.700 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.710 -0.358 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.497 -1.542 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.088 1.386 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.572 0.703 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.243 0.026 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.743 0.903 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.007 -1.653 -1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.730 -0.160 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.606 -1.461 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.121 -3.324 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.391 -3.245 1.437 1.00 0.00 H new ATOM 43 N ARG A 3 -6.782 0.299 -0.874 1.00 0.00 N ATOM 44 CA ARG A 3 -5.879 1.417 -0.648 1.00 0.00 C ATOM 45 C ARG A 3 -4.431 0.948 -0.659 1.00 0.00 C ATOM 46 O ARG A 3 -3.571 1.579 -1.267 1.00 0.00 O ATOM 47 CB ARG A 3 -6.189 2.081 0.694 1.00 0.00 C ATOM 48 CG ARG A 3 -7.641 2.491 0.845 1.00 0.00 C ATOM 49 CD ARG A 3 -7.904 3.128 2.201 1.00 0.00 C ATOM 50 NE ARG A 3 -7.509 2.256 3.304 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.060 1.070 3.547 1.00 0.00 C ATOM 52 NH1 ARG A 3 -9.049 0.620 2.785 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.625 0.333 4.560 1.00 0.00 N ATOM 0 H ARG A 3 -6.658 -0.475 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.023 2.139 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.928 1.394 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.557 2.962 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.906 3.194 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.281 1.617 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.359 4.069 2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.964 3.366 2.290 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.766 2.576 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.391 1.185 2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.467 -0.290 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.868 0.676 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.047 -0.577 4.747 1.00 0.00 H new ATOM 67 N PHE A 4 -4.174 -0.162 0.026 1.00 0.00 N ATOM 68 CA PHE A 4 -2.832 -0.733 0.115 1.00 0.00 C ATOM 69 C PHE A 4 -2.053 -0.638 -1.196 1.00 0.00 C ATOM 70 O PHE A 4 -0.829 -0.568 -1.193 1.00 0.00 O ATOM 71 CB PHE A 4 -2.867 -2.202 0.572 1.00 0.00 C ATOM 72 CG PHE A 4 -3.718 -3.095 -0.281 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.654 -2.554 -1.126 1.00 0.00 C ATOM 74 CD2 PHE A 4 -3.572 -4.468 -0.237 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.444 -3.352 -1.924 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.357 -5.285 -1.030 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.296 -4.725 -1.876 1.00 0.00 C ATOM 0 H PHE A 4 -4.885 -0.689 0.533 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.314 -0.131 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.849 -2.591 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.234 -2.242 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.774 -1.481 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.838 -4.907 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.175 -2.907 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.237 -6.357 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.912 -5.358 -2.497 1.00 0.00 H new ATOM 87 N ALA A 5 -2.751 -0.662 -2.314 1.00 0.00 N ATOM 88 CA ALA A 5 -2.092 -0.607 -3.601 1.00 0.00 C ATOM 89 C ALA A 5 -1.280 0.670 -3.779 1.00 0.00 C ATOM 90 O ALA A 5 -0.142 0.625 -4.250 1.00 0.00 O ATOM 91 CB ALA A 5 -3.113 -0.751 -4.715 1.00 0.00 C ATOM 0 H ALA A 5 -3.769 -0.719 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.390 -1.439 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.607 -0.708 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.627 -1.707 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.839 0.059 -4.650 1.00 0.00 H new ATOM 97 N TRP A 6 -1.864 1.810 -3.425 1.00 0.00 N ATOM 98 CA TRP A 6 -1.172 3.082 -3.581 1.00 0.00 C ATOM 99 C TRP A 6 -0.188 3.368 -2.446 1.00 0.00 C ATOM 100 O TRP A 6 0.253 4.509 -2.306 1.00 0.00 O ATOM 101 CB TRP A 6 -2.173 4.240 -3.710 1.00 0.00 C ATOM 102 CG TRP A 6 -3.169 4.298 -2.600 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.467 3.907 -2.665 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.955 4.761 -1.259 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.071 4.091 -1.456 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.166 4.610 -0.569 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.859 5.280 -0.574 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.308 4.956 0.777 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.992 5.609 0.764 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.203 5.443 1.426 1.00 0.00 C ATOM 0 H TRP A 6 -2.803 1.879 -3.033 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.592 3.001 -4.500 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.624 5.181 -3.743 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.703 4.146 -4.658 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.951 3.509 -3.545 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.045 3.875 -1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.916 5.424 -1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.253 4.844 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.141 6.001 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.275 5.703 2.472 1.00 0.00 H new ATOM 121 N TRP A 7 0.168 2.365 -1.622 1.00 0.00 N ATOM 122 CA TRP A 7 1.093 2.644 -0.517 1.00 0.00 C ATOM 123 C TRP A 7 1.588 1.439 0.257 1.00 0.00 C ATOM 124 O TRP A 7 2.736 1.416 0.683 1.00 0.00 O ATOM 125 CB TRP A 7 0.421 3.563 0.447 1.00 0.00 C ATOM 126 CG TRP A 7 -0.600 2.859 1.255 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.858 2.464 0.897 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.410 2.449 2.572 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.466 1.852 1.955 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.587 1.831 3.000 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.659 2.561 3.431 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -1.720 1.327 4.270 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.539 2.060 4.683 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.645 1.446 5.106 1.00 0.00 C ATOM 0 H TRP A 7 -0.154 1.400 -1.695 1.00 0.00 H new ATOM 0 HA TRP A 7 1.975 3.076 -0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.166 4.005 1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.048 4.382 -0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.304 2.613 -0.075 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.414 1.475 1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.574 3.038 3.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.636 0.856 4.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.371 2.136 5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.711 1.059 6.112 1.00 0.00 H new ATOM 145 N TRP A 8 0.749 0.464 0.495 1.00 0.00 N ATOM 146 CA TRP A 8 1.198 -0.681 1.250 1.00 0.00 C ATOM 147 C TRP A 8 2.501 -1.161 0.632 1.00 0.00 C ATOM 148 O TRP A 8 3.396 -1.654 1.316 1.00 0.00 O ATOM 149 CB TRP A 8 0.138 -1.756 1.236 1.00 0.00 C ATOM 150 CG TRP A 8 0.525 -2.960 0.469 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.193 -3.251 -0.812 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.314 -4.031 0.949 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.721 -4.473 -1.163 1.00 0.00 N ATOM 154 CE2 TRP A 8 1.418 -4.972 -0.087 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.937 -4.278 2.168 1.00 0.00 C ATOM 156 CZ2 TRP A 8 2.128 -6.159 0.062 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.645 -5.455 2.320 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.733 -6.384 1.272 1.00 0.00 C ATOM 0 H TRP A 8 -0.223 0.436 0.188 1.00 0.00 H new ATOM 0 HA TRP A 8 1.371 -0.420 2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.087 -2.046 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.779 -1.345 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.397 -2.620 -1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.614 -4.931 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.869 -3.566 2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.200 -6.875 -0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.137 -5.663 3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.290 -7.297 1.422 1.00 0.00 H new ATOM 169 N ALA A 9 2.606 -0.952 -0.677 1.00 0.00 N ATOM 170 CA ALA A 9 3.806 -1.291 -1.408 1.00 0.00 C ATOM 171 C ALA A 9 4.857 -0.213 -1.132 1.00 0.00 C ATOM 172 O ALA A 9 6.049 -0.484 -1.003 1.00 0.00 O ATOM 173 CB ALA A 9 3.511 -1.397 -2.896 1.00 0.00 C ATOM 0 H ALA A 9 1.865 -0.547 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 9 4.183 -2.260 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.426 -1.653 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.763 -2.172 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.132 -0.442 -3.261 1.00 0.00 H new ATOM 179 N PHE A 10 4.363 1.020 -1.014 1.00 0.00 N ATOM 180 CA PHE A 10 5.181 2.195 -0.714 1.00 0.00 C ATOM 181 C PHE A 10 6.064 1.939 0.514 1.00 0.00 C ATOM 182 O PHE A 10 7.239 2.309 0.534 1.00 0.00 O ATOM 183 CB PHE A 10 4.233 3.401 -0.473 1.00 0.00 C ATOM 184 CG PHE A 10 4.700 4.426 0.527 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.973 4.973 0.463 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.843 4.843 1.542 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.385 5.911 1.390 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.253 5.779 2.468 1.00 0.00 C ATOM 189 CZ PHE A 10 5.526 6.313 2.394 1.00 0.00 C ATOM 0 H PHE A 10 3.372 1.233 -1.125 1.00 0.00 H new ATOM 0 HA PHE A 10 5.844 2.411 -1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.069 3.903 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.267 3.017 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.649 4.662 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.847 4.429 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.379 6.330 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.580 6.095 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.849 7.044 3.121 1.00 0.00 H new ATOM 199 N LEU A 11 5.483 1.320 1.542 1.00 0.00 N ATOM 200 CA LEU A 11 6.205 1.038 2.782 1.00 0.00 C ATOM 201 C LEU A 11 7.151 -0.162 2.666 1.00 0.00 C ATOM 202 O LEU A 11 8.252 -0.136 3.217 1.00 0.00 O ATOM 203 CB LEU A 11 5.214 0.830 3.938 1.00 0.00 C ATOM 204 CG LEU A 11 4.186 -0.288 3.752 1.00 0.00 C ATOM 205 CD1 LEU A 11 4.797 -1.654 4.030 1.00 0.00 C ATOM 206 CD2 LEU A 11 2.984 -0.054 4.651 1.00 0.00 C ATOM 0 H LEU A 11 4.513 1.004 1.540 1.00 0.00 H new ATOM 0 HA LEU A 11 6.830 1.907 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.783 0.625 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.678 1.765 4.102 1.00 0.00 H new ATOM 0 HG LEU A 11 3.859 -0.273 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.041 -2.426 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.626 -1.828 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.162 -1.687 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.261 -0.857 4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.306 -0.037 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.521 0.900 4.399 1.00 0.00 H new ATOM 218 N ARG A 12 6.719 -1.219 1.981 1.00 0.00 N ATOM 219 CA ARG A 12 7.543 -2.420 1.848 1.00 0.00 C ATOM 220 C ARG A 12 8.877 -2.112 1.176 1.00 0.00 C ATOM 221 O ARG A 12 9.889 -2.747 1.475 1.00 0.00 O ATOM 222 CB ARG A 12 6.803 -3.523 1.082 1.00 0.00 C ATOM 223 CG ARG A 12 6.563 -3.213 -0.384 1.00 0.00 C ATOM 224 CD ARG A 12 5.907 -4.384 -1.098 1.00 0.00 C ATOM 225 NE ARG A 12 6.707 -5.602 -0.994 1.00 0.00 N ATOM 226 CZ ARG A 12 6.339 -6.774 -1.501 1.00 0.00 C ATOM 227 NH1 ARG A 12 5.186 -6.891 -2.147 1.00 0.00 N ATOM 228 NH2 ARG A 12 7.125 -7.833 -1.361 1.00 0.00 N ATOM 0 H ARG A 12 5.814 -1.270 1.514 1.00 0.00 H new ATOM 0 HA ARG A 12 7.746 -2.781 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.375 -4.448 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.843 -3.703 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.930 -2.330 -0.472 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.511 -2.975 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.919 -4.561 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.762 -4.133 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 12 7.600 -5.550 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.578 -6.079 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.908 -7.793 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.012 -7.748 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.843 -8.733 -1.750 1.00 0.00 H new ATOM 242 N ARG A 13 8.878 -1.136 0.273 1.00 0.00 N ATOM 243 CA ARG A 13 10.098 -0.753 -0.431 1.00 0.00 C ATOM 244 C ARG A 13 11.220 -0.440 0.554 1.00 0.00 C ATOM 245 O ARG A 13 12.347 -0.933 0.337 1.00 0.00 O ATOM 246 CB ARG A 13 9.843 0.463 -1.322 1.00 0.00 C ATOM 247 CG ARG A 13 8.838 0.207 -2.431 1.00 0.00 C ATOM 248 CD ARG A 13 8.662 1.435 -3.308 1.00 0.00 C ATOM 249 NE ARG A 13 7.735 1.196 -4.409 1.00 0.00 N ATOM 250 CZ ARG A 13 7.427 2.111 -5.324 1.00 0.00 C ATOM 251 NH1 ARG A 13 7.973 3.319 -5.267 1.00 0.00 N ATOM 252 NH2 ARG A 13 6.576 1.817 -6.297 1.00 0.00 N ATOM 0 H ARG A 13 8.052 -0.598 0.012 1.00 0.00 H new ATOM 0 HA ARG A 13 10.403 -1.595 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.487 1.287 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.786 0.782 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.171 -0.633 -3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.878 -0.074 -1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.297 2.264 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.630 1.735 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 13 7.299 0.277 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.630 3.547 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.736 4.020 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.157 0.888 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.341 2.519 -6.998 1.00 0.00 H new HETATM 266 N NH2 A 14 10.914 0.011 1.765 1.00 0.00 N TER 269 NH2 A 14