USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 272 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00207 (180deg=-0.163) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 23:sc= 0.345 USER MOD Single : A 14 ASN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 15 MET CE :methyl -153:sc= -0.106 (180deg=-1.54) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.14! C(o=-1.1!,f=-2.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.432 7.300 2.358 1.00 0.00 N ATOM 2 CA MET A 1 -20.965 7.758 1.019 1.00 0.00 C ATOM 3 C MET A 1 -19.650 8.526 1.172 1.00 0.00 C ATOM 4 O MET A 1 -18.784 8.472 0.322 1.00 0.00 O ATOM 5 CB MET A 1 -22.020 8.674 0.396 1.00 0.00 C ATOM 6 CG MET A 1 -22.373 8.169 -1.004 1.00 0.00 C ATOM 7 SD MET A 1 -22.151 9.509 -2.201 1.00 0.00 S ATOM 8 CE MET A 1 -23.783 9.394 -2.974 1.00 0.00 C ATOM 0 H1 MET A 1 -22.216 6.626 2.241 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.648 6.835 2.859 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.759 8.118 2.910 1.00 0.00 H new ATOM 0 HA MET A 1 -20.808 6.893 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.912 8.696 1.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.643 9.695 0.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.739 7.322 -1.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.404 7.814 -1.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.868 10.146 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.912 8.402 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.554 9.565 -2.223 1.00 0.00 H new ATOM 20 N SER A 2 -19.493 9.242 2.253 1.00 0.00 N ATOM 21 CA SER A 2 -18.235 10.011 2.462 1.00 0.00 C ATOM 22 C SER A 2 -17.920 10.073 3.958 1.00 0.00 C ATOM 23 O SER A 2 -17.811 11.136 4.536 1.00 0.00 O ATOM 24 CB SER A 2 -18.408 11.431 1.923 1.00 0.00 C ATOM 25 OG SER A 2 -17.720 11.550 0.685 1.00 0.00 O ATOM 0 H SER A 2 -20.183 9.327 3.000 1.00 0.00 H new ATOM 0 HA SER A 2 -17.418 9.519 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.466 11.654 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.019 12.154 2.640 1.00 0.00 H new ATOM 0 HG SER A 2 -17.830 12.459 0.336 1.00 0.00 H new ATOM 31 N TRP A 3 -17.774 8.941 4.589 1.00 0.00 N ATOM 32 CA TRP A 3 -17.468 8.934 6.045 1.00 0.00 C ATOM 33 C TRP A 3 -16.041 8.417 6.260 1.00 0.00 C ATOM 34 O TRP A 3 -15.316 8.175 5.315 1.00 0.00 O ATOM 35 CB TRP A 3 -18.458 8.014 6.766 1.00 0.00 C ATOM 36 CG TRP A 3 -19.079 8.741 7.915 1.00 0.00 C ATOM 37 CD1 TRP A 3 -18.867 8.454 9.220 1.00 0.00 C ATOM 38 CD2 TRP A 3 -20.011 9.861 7.889 1.00 0.00 C ATOM 39 NE1 TRP A 3 -19.608 9.325 9.996 1.00 0.00 N ATOM 40 CE2 TRP A 3 -20.330 10.213 9.222 1.00 0.00 C ATOM 41 CE3 TRP A 3 -20.604 10.599 6.849 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -21.207 11.258 9.512 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -21.487 11.653 7.138 1.00 0.00 C ATOM 44 CH2 TRP A 3 -21.787 11.981 8.467 1.00 0.00 C ATOM 0 H TRP A 3 -17.854 8.020 4.158 1.00 0.00 H new ATOM 0 HA TRP A 3 -17.554 9.945 6.443 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -19.231 7.682 6.073 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.945 7.121 7.123 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.223 7.672 9.594 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -19.620 9.314 11.016 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -20.379 10.354 5.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -21.436 11.507 10.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -21.937 12.213 6.332 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -22.466 12.792 8.683 1.00 0.00 H new ATOM 55 N ALA A 4 -15.634 8.235 7.493 1.00 0.00 N ATOM 56 CA ALA A 4 -14.258 7.725 7.763 1.00 0.00 C ATOM 57 C ALA A 4 -13.256 8.381 6.804 1.00 0.00 C ATOM 58 O ALA A 4 -12.325 7.749 6.351 1.00 0.00 O ATOM 59 CB ALA A 4 -14.236 6.209 7.556 1.00 0.00 C ATOM 0 H ALA A 4 -16.198 8.418 8.323 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.980 7.966 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.233 5.830 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.942 5.738 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.517 5.978 6.529 1.00 0.00 H new ATOM 65 N LEU A 5 -13.443 9.639 6.483 1.00 0.00 N ATOM 66 CA LEU A 5 -12.501 10.324 5.546 1.00 0.00 C ATOM 67 C LEU A 5 -11.063 9.881 5.831 1.00 0.00 C ATOM 68 O LEU A 5 -10.310 9.575 4.929 1.00 0.00 O ATOM 69 CB LEU A 5 -12.602 11.847 5.726 1.00 0.00 C ATOM 70 CG LEU A 5 -14.050 12.336 5.535 1.00 0.00 C ATOM 71 CD1 LEU A 5 -14.824 11.400 4.598 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.750 12.387 6.895 1.00 0.00 C ATOM 0 H LEU A 5 -14.207 10.219 6.830 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.768 10.056 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.251 12.122 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.950 12.345 5.008 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.026 13.330 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.844 11.766 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.333 11.371 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.846 10.397 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.775 12.733 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.757 11.391 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.217 13.073 7.553 1.00 0.00 H new ATOM 84 N GLU A 6 -10.675 9.847 7.075 1.00 0.00 N ATOM 85 CA GLU A 6 -9.283 9.428 7.410 1.00 0.00 C ATOM 86 C GLU A 6 -9.019 8.018 6.870 1.00 0.00 C ATOM 87 O GLU A 6 -8.179 7.818 6.016 1.00 0.00 O ATOM 88 CB GLU A 6 -9.105 9.431 8.930 1.00 0.00 C ATOM 89 CG GLU A 6 -7.613 9.386 9.268 1.00 0.00 C ATOM 90 CD GLU A 6 -7.415 9.699 10.752 1.00 0.00 C ATOM 91 OE1 GLU A 6 -7.364 10.871 11.089 1.00 0.00 O ATOM 92 OE2 GLU A 6 -7.318 8.762 11.527 1.00 0.00 O ATOM 0 H GLU A 6 -11.260 10.091 7.874 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.579 10.124 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.559 10.324 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.614 8.573 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.206 8.402 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.069 10.107 8.658 1.00 0.00 H new ATOM 99 N MET A 7 -9.723 7.039 7.370 1.00 0.00 N ATOM 100 CA MET A 7 -9.509 5.639 6.900 1.00 0.00 C ATOM 101 C MET A 7 -9.679 5.560 5.378 1.00 0.00 C ATOM 102 O MET A 7 -8.744 5.286 4.655 1.00 0.00 O ATOM 103 CB MET A 7 -10.530 4.719 7.572 1.00 0.00 C ATOM 104 CG MET A 7 -9.858 3.401 7.961 1.00 0.00 C ATOM 105 SD MET A 7 -11.117 2.112 8.138 1.00 0.00 S ATOM 106 CE MET A 7 -10.830 1.291 6.551 1.00 0.00 C ATOM 0 H MET A 7 -10.440 7.148 8.087 1.00 0.00 H new ATOM 0 HA MET A 7 -8.498 5.326 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.943 5.203 8.457 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.363 4.528 6.895 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.131 3.113 7.201 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.311 3.521 8.896 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.513 0.448 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.002 1.998 5.739 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.802 0.932 6.508 1.00 0.00 H new ATOM 116 N ALA A 8 -10.868 5.783 4.891 1.00 0.00 N ATOM 117 CA ALA A 8 -11.110 5.707 3.420 1.00 0.00 C ATOM 118 C ALA A 8 -9.950 6.352 2.655 1.00 0.00 C ATOM 119 O ALA A 8 -9.629 5.955 1.554 1.00 0.00 O ATOM 120 CB ALA A 8 -12.410 6.440 3.082 1.00 0.00 C ATOM 0 H ALA A 8 -11.688 6.016 5.451 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.187 4.660 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.589 6.386 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.240 5.973 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.328 7.484 3.384 1.00 0.00 H new ATOM 126 N ASP A 9 -9.325 7.347 3.220 1.00 0.00 N ATOM 127 CA ASP A 9 -8.193 8.012 2.512 1.00 0.00 C ATOM 128 C ASP A 9 -7.006 7.049 2.403 1.00 0.00 C ATOM 129 O ASP A 9 -6.656 6.598 1.330 1.00 0.00 O ATOM 130 CB ASP A 9 -7.764 9.257 3.292 1.00 0.00 C ATOM 131 CG ASP A 9 -6.994 10.200 2.366 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.765 9.826 1.228 1.00 0.00 O ATOM 133 OD2 ASP A 9 -6.644 11.281 2.812 1.00 0.00 O ATOM 0 H ASP A 9 -9.548 7.729 4.139 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.517 8.298 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.639 9.764 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.139 8.971 4.138 1.00 0.00 H new ATOM 138 N THR A 10 -6.380 6.740 3.505 1.00 0.00 N ATOM 139 CA THR A 10 -5.211 5.816 3.472 1.00 0.00 C ATOM 140 C THR A 10 -5.543 4.577 2.635 1.00 0.00 C ATOM 141 O THR A 10 -4.682 3.991 2.009 1.00 0.00 O ATOM 142 CB THR A 10 -4.867 5.385 4.898 1.00 0.00 C ATOM 143 OG1 THR A 10 -6.061 5.293 5.662 1.00 0.00 O ATOM 144 CG2 THR A 10 -3.929 6.412 5.534 1.00 0.00 C ATOM 0 H THR A 10 -6.629 7.089 4.431 1.00 0.00 H new ATOM 0 HA THR A 10 -4.361 6.332 3.025 1.00 0.00 H new ATOM 0 HB THR A 10 -4.373 4.414 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.823 5.155 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.686 6.102 6.550 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.013 6.481 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.419 7.386 5.559 1.00 0.00 H new ATOM 152 N PHE A 11 -6.781 4.168 2.627 1.00 0.00 N ATOM 153 CA PHE A 11 -7.161 2.963 1.838 1.00 0.00 C ATOM 154 C PHE A 11 -7.147 3.301 0.344 1.00 0.00 C ATOM 155 O PHE A 11 -6.716 2.516 -0.476 1.00 0.00 O ATOM 156 CB PHE A 11 -8.562 2.506 2.251 1.00 0.00 C ATOM 157 CG PHE A 11 -8.817 1.107 1.739 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.810 0.136 1.817 1.00 0.00 C ATOM 159 CD2 PHE A 11 -10.060 0.782 1.184 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.048 -1.159 1.340 1.00 0.00 C ATOM 161 CE2 PHE A 11 -10.298 -0.513 0.708 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.292 -1.484 0.786 1.00 0.00 C ATOM 0 H PHE A 11 -7.546 4.616 3.132 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.447 2.162 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.656 2.528 3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.310 3.191 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.850 0.386 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.836 1.531 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.272 -1.907 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.258 -0.763 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.476 -2.483 0.419 1.00 0.00 H new ATOM 172 N LEU A 12 -7.613 4.466 -0.014 1.00 0.00 N ATOM 173 CA LEU A 12 -7.622 4.856 -1.452 1.00 0.00 C ATOM 174 C LEU A 12 -6.182 5.004 -1.943 1.00 0.00 C ATOM 175 O LEU A 12 -5.878 4.762 -3.095 1.00 0.00 O ATOM 176 CB LEU A 12 -8.355 6.190 -1.613 1.00 0.00 C ATOM 177 CG LEU A 12 -9.368 6.084 -2.754 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.775 5.926 -2.177 1.00 0.00 C ATOM 179 CD2 LEU A 12 -9.306 7.353 -3.607 1.00 0.00 C ATOM 0 H LEU A 12 -7.988 5.165 0.627 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.131 4.089 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.863 6.452 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.640 6.987 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.131 5.217 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.496 5.851 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.819 5.023 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.014 6.792 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.027 7.280 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.543 8.219 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.303 7.465 -4.020 1.00 0.00 H new ATOM 191 N ASP A 13 -5.289 5.403 -1.077 1.00 0.00 N ATOM 192 CA ASP A 13 -3.868 5.568 -1.492 1.00 0.00 C ATOM 193 C ASP A 13 -3.263 4.198 -1.806 1.00 0.00 C ATOM 194 O ASP A 13 -2.600 4.017 -2.809 1.00 0.00 O ATOM 195 CB ASP A 13 -3.079 6.223 -0.356 1.00 0.00 C ATOM 196 CG ASP A 13 -2.098 7.245 -0.936 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.003 7.322 -2.149 1.00 0.00 O ATOM 198 OD2 ASP A 13 -1.459 7.931 -0.156 1.00 0.00 O ATOM 0 H ASP A 13 -5.484 5.622 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.821 6.198 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.761 6.712 0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.538 5.464 0.209 1.00 0.00 H new ATOM 203 N ASN A 14 -3.482 3.231 -0.957 1.00 0.00 N ATOM 204 CA ASN A 14 -2.914 1.878 -1.209 1.00 0.00 C ATOM 205 C ASN A 14 -4.049 0.860 -1.346 1.00 0.00 C ATOM 206 O ASN A 14 -3.915 -0.287 -0.967 1.00 0.00 O ATOM 207 CB ASN A 14 -2.013 1.477 -0.039 1.00 0.00 C ATOM 208 CG ASN A 14 -0.604 2.028 -0.265 1.00 0.00 C ATOM 209 OD1 ASN A 14 -0.370 2.762 -1.206 1.00 0.00 O ATOM 210 ND2 ASN A 14 0.350 1.705 0.563 1.00 0.00 N ATOM 0 H ASN A 14 -4.029 3.320 -0.101 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.331 1.898 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.420 1.863 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.980 0.391 0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.293 2.068 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.154 1.089 1.352 1.00 0.00 H new ATOM 217 N MET A 15 -5.165 1.265 -1.889 1.00 0.00 N ATOM 218 CA MET A 15 -6.298 0.314 -2.051 1.00 0.00 C ATOM 219 C MET A 15 -5.780 -0.989 -2.645 1.00 0.00 C ATOM 220 O MET A 15 -5.437 -1.919 -1.943 1.00 0.00 O ATOM 221 CB MET A 15 -7.350 0.921 -2.984 1.00 0.00 C ATOM 222 CG MET A 15 -8.586 1.315 -2.173 1.00 0.00 C ATOM 223 SD MET A 15 -10.015 1.440 -3.279 1.00 0.00 S ATOM 224 CE MET A 15 -10.978 0.085 -2.564 1.00 0.00 C ATOM 0 H MET A 15 -5.340 2.212 -2.226 1.00 0.00 H new ATOM 0 HA MET A 15 -6.751 0.118 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.941 1.795 -3.491 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.623 0.203 -3.757 1.00 0.00 H new ATOM 0 HG2 MET A 15 -8.777 0.574 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 15 -8.417 2.267 -1.670 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.635 -0.336 -3.325 1.00 0.00 H new ATOM 0 HE2 MET A 15 -10.302 -0.689 -2.200 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.577 0.462 -1.735 1.00 0.00 H new ATOM 234 N ARG A 16 -5.719 -1.049 -3.936 1.00 0.00 N ATOM 235 CA ARG A 16 -5.221 -2.278 -4.617 1.00 0.00 C ATOM 236 C ARG A 16 -5.772 -3.520 -3.914 1.00 0.00 C ATOM 237 O ARG A 16 -5.041 -4.435 -3.589 1.00 0.00 O ATOM 238 CB ARG A 16 -3.692 -2.298 -4.569 1.00 0.00 C ATOM 239 CG ARG A 16 -3.133 -1.926 -5.946 1.00 0.00 C ATOM 240 CD ARG A 16 -2.914 -0.412 -6.017 1.00 0.00 C ATOM 241 NE ARG A 16 -1.731 -0.041 -5.191 1.00 0.00 N ATOM 242 CZ ARG A 16 -0.798 0.724 -5.691 1.00 0.00 C ATOM 243 NH1 ARG A 16 -0.436 0.585 -6.937 1.00 0.00 N ATOM 244 NH2 ARG A 16 -0.224 1.627 -4.943 1.00 0.00 N ATOM 0 H ARG A 16 -5.995 -0.293 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.555 -2.277 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.332 -1.596 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.340 -3.287 -4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.193 -2.449 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.824 -2.241 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.759 -0.104 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.800 0.111 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.650 -0.385 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.882 -0.122 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.293 1.183 -7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.504 1.735 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.505 2.224 -5.333 1.00 0.00 H new ATOM 258 N VAL A 17 -7.059 -3.559 -3.682 1.00 0.00 N ATOM 259 CA VAL A 17 -7.671 -4.740 -3.003 1.00 0.00 C ATOM 260 C VAL A 17 -6.754 -5.224 -1.876 1.00 0.00 C ATOM 261 O VAL A 17 -6.301 -6.352 -1.872 1.00 0.00 O ATOM 262 CB VAL A 17 -7.871 -5.865 -4.023 1.00 0.00 C ATOM 263 CG1 VAL A 17 -6.533 -6.215 -4.673 1.00 0.00 C ATOM 264 CG2 VAL A 17 -8.433 -7.103 -3.318 1.00 0.00 C ATOM 0 H VAL A 17 -7.715 -2.820 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.635 -4.455 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.571 -5.533 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.679 -7.016 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.133 -5.336 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.831 -6.543 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.575 -7.903 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.735 -7.432 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.390 -6.857 -2.858 1.00 0.00 H new ATOM 274 N GLY A 18 -6.476 -4.380 -0.920 1.00 0.00 N ATOM 275 CA GLY A 18 -5.589 -4.794 0.203 1.00 0.00 C ATOM 276 C GLY A 18 -5.774 -3.837 1.383 1.00 0.00 C ATOM 277 O GLY A 18 -5.106 -2.825 1.471 1.00 0.00 O ATOM 0 H GLY A 18 -6.825 -3.423 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.824 -5.814 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.548 -4.790 -0.122 1.00 0.00 H new ATOM 281 N PRO A 19 -6.682 -4.188 2.259 1.00 0.00 N ATOM 282 CA PRO A 19 -6.988 -3.385 3.455 1.00 0.00 C ATOM 283 C PRO A 19 -5.925 -3.605 4.535 1.00 0.00 C ATOM 284 O PRO A 19 -4.845 -4.094 4.268 1.00 0.00 O ATOM 285 CB PRO A 19 -8.346 -3.922 3.909 1.00 0.00 C ATOM 286 CG PRO A 19 -8.473 -5.345 3.316 1.00 0.00 C ATOM 287 CD PRO A 19 -7.487 -5.420 2.135 1.00 0.00 C ATOM 0 HA PRO A 19 -7.002 -2.313 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.410 -3.947 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.154 -3.281 3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.237 -6.100 4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.493 -5.536 2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.863 -6.312 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.011 -5.459 1.180 1.00 0.00 H new ATOM 294 N ARG A 20 -6.224 -3.244 5.754 1.00 0.00 N ATOM 295 CA ARG A 20 -5.232 -3.430 6.850 1.00 0.00 C ATOM 296 C ARG A 20 -3.962 -2.641 6.522 1.00 0.00 C ATOM 297 O ARG A 20 -3.857 -1.466 6.817 1.00 0.00 O ATOM 298 CB ARG A 20 -4.896 -4.916 6.991 1.00 0.00 C ATOM 299 CG ARG A 20 -6.106 -5.663 7.556 1.00 0.00 C ATOM 300 CD ARG A 20 -5.958 -7.161 7.278 1.00 0.00 C ATOM 301 NE ARG A 20 -5.421 -7.840 8.489 1.00 0.00 N ATOM 302 CZ ARG A 20 -4.767 -8.964 8.372 1.00 0.00 C ATOM 303 NH1 ARG A 20 -5.220 -10.045 8.947 1.00 0.00 N ATOM 304 NH2 ARG A 20 -3.663 -9.008 7.679 1.00 0.00 N ATOM 0 H ARG A 20 -7.112 -2.829 6.037 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.652 -3.068 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.620 -5.331 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.037 -5.044 7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.186 -5.488 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.023 -5.287 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.923 -7.588 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.289 -7.320 6.432 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.564 -7.427 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.084 -10.011 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.709 -10.923 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.310 -8.164 7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.153 -9.886 7.588 1.00 0.00 H new ATOM 318 N THR A 21 -2.998 -3.272 5.909 1.00 0.00 N ATOM 319 CA THR A 21 -1.741 -2.551 5.557 1.00 0.00 C ATOM 320 C THR A 21 -1.081 -2.009 6.829 1.00 0.00 C ATOM 321 O THR A 21 -1.374 -2.439 7.926 1.00 0.00 O ATOM 322 CB THR A 21 -2.069 -1.391 4.615 1.00 0.00 C ATOM 323 OG1 THR A 21 -3.375 -1.572 4.082 1.00 0.00 O ATOM 324 CG2 THR A 21 -1.053 -1.353 3.472 1.00 0.00 C ATOM 0 H THR A 21 -3.026 -4.255 5.637 1.00 0.00 H new ATOM 0 HA THR A 21 -1.055 -3.239 5.064 1.00 0.00 H new ATOM 0 HB THR A 21 -2.026 -0.452 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.588 -0.829 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.289 -0.526 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.052 -1.215 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.093 -2.291 2.918 1.00 0.00 H new ATOM 332 N TYR A 22 -0.188 -1.066 6.683 1.00 0.00 N ATOM 333 CA TYR A 22 0.502 -0.489 7.878 1.00 0.00 C ATOM 334 C TYR A 22 1.757 0.272 7.447 1.00 0.00 C ATOM 335 O TYR A 22 2.019 1.352 7.922 1.00 0.00 O ATOM 336 CB TYR A 22 0.901 -1.621 8.828 1.00 0.00 C ATOM 337 CG TYR A 22 0.139 -1.489 10.125 1.00 0.00 C ATOM 338 CD1 TYR A 22 0.299 -0.347 10.919 1.00 0.00 C ATOM 339 CD2 TYR A 22 -0.725 -2.511 10.533 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.406 -0.227 12.123 1.00 0.00 C ATOM 341 CE2 TYR A 22 -1.431 -2.392 11.737 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.271 -1.250 12.533 1.00 0.00 C ATOM 343 OH TYR A 22 -1.966 -1.133 13.720 1.00 0.00 O ATOM 0 H TYR A 22 0.095 -0.669 5.787 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.177 0.199 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.690 -2.586 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.973 -1.587 9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.966 0.441 10.603 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.848 -3.392 9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.283 0.654 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.099 -3.180 12.052 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.522 -1.929 13.854 1.00 0.00 H new ATOM 353 N ALA A 23 2.545 -0.282 6.567 1.00 0.00 N ATOM 354 CA ALA A 23 3.790 0.423 6.136 1.00 0.00 C ATOM 355 C ALA A 23 3.517 1.915 5.941 1.00 0.00 C ATOM 356 O ALA A 23 4.333 2.761 6.255 1.00 0.00 O ATOM 357 CB ALA A 23 4.294 -0.181 4.824 1.00 0.00 C ATOM 0 H ALA A 23 2.384 -1.188 6.128 1.00 0.00 H new ATOM 0 HA ALA A 23 4.548 0.302 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.202 0.335 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.510 -1.239 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.530 -0.069 4.055 1.00 0.00 H new ATOM 363 N ASP A 24 2.375 2.232 5.424 1.00 0.00 N ATOM 364 CA ASP A 24 2.016 3.661 5.188 1.00 0.00 C ATOM 365 C ASP A 24 1.631 4.336 6.509 1.00 0.00 C ATOM 366 O ASP A 24 2.197 5.343 6.884 1.00 0.00 O ATOM 367 CB ASP A 24 0.841 3.742 4.209 1.00 0.00 C ATOM 368 CG ASP A 24 -0.270 2.790 4.657 1.00 0.00 C ATOM 369 OD1 ASP A 24 -0.166 1.609 4.367 1.00 0.00 O ATOM 370 OD2 ASP A 24 -1.206 3.258 5.282 1.00 0.00 O ATOM 0 H ASP A 24 1.660 1.559 5.148 1.00 0.00 H new ATOM 0 HA ASP A 24 2.879 4.176 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.462 4.763 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.174 3.481 3.204 1.00 0.00 H new ATOM 375 N VAL A 25 0.672 3.799 7.221 1.00 0.00 N ATOM 376 CA VAL A 25 0.273 4.432 8.511 1.00 0.00 C ATOM 377 C VAL A 25 1.534 4.763 9.302 1.00 0.00 C ATOM 378 O VAL A 25 1.768 5.890 9.679 1.00 0.00 O ATOM 379 CB VAL A 25 -0.599 3.467 9.316 1.00 0.00 C ATOM 380 CG1 VAL A 25 -1.031 4.141 10.620 1.00 0.00 C ATOM 381 CG2 VAL A 25 -1.840 3.096 8.499 1.00 0.00 C ATOM 0 H VAL A 25 0.154 2.958 6.967 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.296 5.341 8.316 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.030 2.565 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.653 3.455 11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.149 4.406 11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.600 5.042 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.461 2.408 9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.410 3.997 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.534 2.618 7.569 1.00 0.00 H new ATOM 391 N ARG A 26 2.354 3.785 9.542 1.00 0.00 N ATOM 392 CA ARG A 26 3.617 4.034 10.292 1.00 0.00 C ATOM 393 C ARG A 26 4.420 5.117 9.576 1.00 0.00 C ATOM 394 O ARG A 26 4.663 6.140 10.156 1.00 0.00 O ATOM 395 CB ARG A 26 4.420 2.727 10.376 1.00 0.00 C ATOM 396 CG ARG A 26 3.495 1.572 10.768 1.00 0.00 C ATOM 397 CD ARG A 26 2.679 1.964 12.000 1.00 0.00 C ATOM 398 NE ARG A 26 3.599 2.412 13.083 1.00 0.00 N ATOM 399 CZ ARG A 26 3.979 1.572 14.008 1.00 0.00 C ATOM 400 NH1 ARG A 26 3.372 1.557 15.163 1.00 0.00 N ATOM 401 NH2 ARG A 26 4.964 0.748 13.779 1.00 0.00 N ATOM 0 H ARG A 26 2.206 2.819 9.251 1.00 0.00 H new ATOM 0 HA ARG A 26 3.395 4.374 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.891 2.517 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.221 2.828 11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.829 1.329 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.082 0.678 10.977 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.981 2.762 11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.085 1.116 12.341 1.00 0.00 H new ATOM 0 HE ARG A 26 3.932 3.376 13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.602 2.201 15.343 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.668 0.901 15.886 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.439 0.759 12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.259 0.093 14.503 1.00 0.00 H new ATOM 415 N ASP A 27 4.816 4.933 8.326 1.00 0.00 N ATOM 416 CA ASP A 27 5.591 6.022 7.616 1.00 0.00 C ATOM 417 C ASP A 27 5.009 7.353 8.034 1.00 0.00 C ATOM 418 O ASP A 27 5.718 8.323 8.131 1.00 0.00 O ATOM 419 CB ASP A 27 5.482 5.851 6.100 1.00 0.00 C ATOM 420 CG ASP A 27 6.763 5.209 5.565 1.00 0.00 C ATOM 421 OD1 ASP A 27 7.184 4.214 6.130 1.00 0.00 O ATOM 422 OD2 ASP A 27 7.300 5.725 4.599 1.00 0.00 O ATOM 0 H ASP A 27 4.640 4.093 7.775 1.00 0.00 H new ATOM 0 HA ASP A 27 6.646 5.968 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.621 5.229 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.322 6.819 5.625 1.00 0.00 H new ATOM 427 N GLU A 28 3.746 7.368 8.381 1.00 0.00 N ATOM 428 CA GLU A 28 3.154 8.586 8.920 1.00 0.00 C ATOM 429 C GLU A 28 3.946 8.807 10.192 1.00 0.00 C ATOM 430 O GLU A 28 3.658 8.238 11.222 1.00 0.00 O ATOM 431 CB GLU A 28 1.668 8.384 9.228 1.00 0.00 C ATOM 432 CG GLU A 28 0.953 9.735 9.221 1.00 0.00 C ATOM 433 CD GLU A 28 -0.559 9.512 9.160 1.00 0.00 C ATOM 434 OE1 GLU A 28 -0.973 8.567 8.508 1.00 0.00 O ATOM 435 OE2 GLU A 28 -1.277 10.290 9.767 1.00 0.00 O ATOM 0 H GLU A 28 3.112 6.573 8.306 1.00 0.00 H new ATOM 0 HA GLU A 28 3.197 9.430 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.220 7.721 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.550 7.904 10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.212 10.300 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.279 10.326 8.365 1.00 0.00 H new ATOM 442 N ILE A 29 5.019 9.522 10.046 1.00 0.00 N ATOM 443 CA ILE A 29 6.007 9.734 11.146 1.00 0.00 C ATOM 444 C ILE A 29 7.073 8.655 10.943 1.00 0.00 C ATOM 445 O ILE A 29 7.212 7.781 11.773 1.00 0.00 O ATOM 446 CB ILE A 29 5.356 9.527 12.518 1.00 0.00 C ATOM 447 CG1 ILE A 29 4.152 10.477 12.653 1.00 0.00 C ATOM 448 CG2 ILE A 29 6.393 9.835 13.604 1.00 0.00 C ATOM 449 CD1 ILE A 29 3.861 10.767 14.131 1.00 0.00 C ATOM 0 H ILE A 29 5.266 9.990 9.174 1.00 0.00 H new ATOM 0 HA ILE A 29 6.409 10.747 11.119 1.00 0.00 H new ATOM 0 HB ILE A 29 5.011 8.498 12.625 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.356 11.409 12.126 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.275 10.031 12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.944 9.692 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.246 9.165 13.494 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.728 10.868 13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.007 11.440 14.208 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.636 9.834 14.647 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.733 11.233 14.589 1.00 0.00 H new ATOM 461 N ASN A 30 7.791 8.689 9.817 1.00 0.00 N ATOM 462 CA ASN A 30 8.797 7.639 9.496 1.00 0.00 C ATOM 463 C ASN A 30 8.509 6.378 10.284 1.00 0.00 C ATOM 464 O ASN A 30 9.392 5.814 10.892 1.00 0.00 O ATOM 465 CB ASN A 30 10.206 8.108 9.782 1.00 0.00 C ATOM 466 CG ASN A 30 10.194 9.396 10.612 1.00 0.00 C ATOM 467 OD1 ASN A 30 9.596 10.379 10.219 1.00 0.00 O ATOM 468 ND2 ASN A 30 10.833 9.433 11.748 1.00 0.00 N ATOM 0 H ASN A 30 7.706 9.419 9.110 1.00 0.00 H new ATOM 0 HA ASN A 30 8.721 7.428 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.751 7.330 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.734 8.280 8.844 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.831 10.286 12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.335 8.609 12.078 1.00 0.00 H new ATOM 475 N LYS A 31 7.263 5.954 10.264 1.00 0.00 N ATOM 476 CA LYS A 31 6.843 4.712 11.002 1.00 0.00 C ATOM 477 C LYS A 31 6.113 5.033 12.325 1.00 0.00 C ATOM 478 O LYS A 31 6.163 4.240 13.245 1.00 0.00 O ATOM 479 CB LYS A 31 8.043 3.811 11.327 1.00 0.00 C ATOM 480 CG LYS A 31 8.808 3.485 10.042 1.00 0.00 C ATOM 481 CD LYS A 31 8.914 1.966 9.890 1.00 0.00 C ATOM 482 CE LYS A 31 10.330 1.591 9.448 1.00 0.00 C ATOM 483 NZ LYS A 31 11.038 0.913 10.571 1.00 0.00 N ATOM 0 H LYS A 31 6.509 6.422 9.761 1.00 0.00 H new ATOM 0 HA LYS A 31 6.159 4.193 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.702 4.310 12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.701 2.891 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.295 3.914 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.803 3.929 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.676 1.479 10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.188 1.612 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.289 0.933 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.877 2.484 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.001 0.658 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.089 1.555 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.519 0.052 10.839 1.00 0.00 H new ATOM 497 N ARG A 32 5.428 6.152 12.465 1.00 0.00 N ATOM 498 CA ARG A 32 4.735 6.398 13.765 1.00 0.00 C ATOM 499 C ARG A 32 3.412 7.129 13.523 1.00 0.00 C ATOM 500 O ARG A 32 3.277 8.298 13.816 1.00 0.00 O ATOM 501 CB ARG A 32 5.634 7.240 14.670 1.00 0.00 C ATOM 502 CG ARG A 32 6.088 6.396 15.864 1.00 0.00 C ATOM 503 CD ARG A 32 7.583 6.089 15.736 1.00 0.00 C ATOM 504 NE ARG A 32 7.807 4.625 15.904 1.00 0.00 N ATOM 505 CZ ARG A 32 8.309 4.166 17.019 1.00 0.00 C ATOM 506 NH1 ARG A 32 7.979 4.713 18.157 1.00 0.00 N ATOM 507 NH2 ARG A 32 9.140 3.160 16.995 1.00 0.00 N ATOM 0 H ARG A 32 5.324 6.879 11.757 1.00 0.00 H new ATOM 0 HA ARG A 32 4.527 5.443 14.248 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.500 7.595 14.112 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.095 8.121 15.018 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.894 6.930 16.794 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.518 5.468 15.904 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.950 6.414 14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.144 6.642 16.489 1.00 0.00 H new ATOM 0 HE ARG A 32 7.568 3.982 15.149 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.329 5.499 18.176 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.371 4.355 19.028 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.397 2.732 16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.532 2.802 17.866 1.00 0.00 H new ATOM 521 N GLY A 33 2.434 6.450 12.992 1.00 0.00 N ATOM 522 CA GLY A 33 1.124 7.113 12.734 1.00 0.00 C ATOM 523 C GLY A 33 0.104 6.662 13.781 1.00 0.00 C ATOM 524 O GLY A 33 0.378 6.655 14.966 1.00 0.00 O ATOM 0 H GLY A 33 2.484 5.467 12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.240 8.196 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.769 6.862 11.734 1.00 0.00 H new ATOM 528 N ARG A 34 -1.072 6.286 13.356 1.00 0.00 N ATOM 529 CA ARG A 34 -2.108 5.835 14.327 1.00 0.00 C ATOM 530 C ARG A 34 -3.388 5.471 13.572 1.00 0.00 C ATOM 531 O ARG A 34 -3.973 6.359 12.974 1.00 0.00 O ATOM 532 CB ARG A 34 -2.404 6.963 15.320 1.00 0.00 C ATOM 533 CG ARG A 34 -2.923 8.188 14.564 1.00 0.00 C ATOM 534 CD ARG A 34 -2.858 9.415 15.473 1.00 0.00 C ATOM 535 NE ARG A 34 -1.434 9.757 15.747 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.949 10.902 15.351 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.082 11.271 14.107 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.332 11.677 16.199 1.00 0.00 N ATOM 539 OXT ARG A 34 -3.761 4.310 13.604 1.00 0.00 O ATOM 0 H ARG A 34 -1.360 6.272 12.377 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.744 4.962 14.868 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.143 6.634 16.050 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.501 7.220 15.874 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.326 8.355 13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.949 8.019 14.237 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.361 10.258 15.000 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.381 9.216 16.408 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.838 9.096 16.244 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.565 10.665 13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.703 12.166 13.797 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.228 11.388 17.172 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.047 12.572 15.890 1.00 0.00 H new TER 553 ARG A 34