USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -80:sc= 1.06 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.22) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.87! C(o=-2.9!,f=-6.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.070 15.983 5.084 1.00 0.00 N ATOM 2 CA MET A 1 -17.915 15.042 5.132 1.00 0.00 C ATOM 3 C MET A 1 -18.087 13.969 4.056 1.00 0.00 C ATOM 4 O MET A 1 -17.250 13.805 3.190 1.00 0.00 O ATOM 5 CB MET A 1 -17.856 14.376 6.509 1.00 0.00 C ATOM 6 CG MET A 1 -16.541 13.605 6.647 1.00 0.00 C ATOM 7 SD MET A 1 -15.836 13.906 8.286 1.00 0.00 S ATOM 8 CE MET A 1 -15.860 12.190 8.863 1.00 0.00 C ATOM 0 H1 MET A 1 -18.954 16.713 5.816 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.111 16.434 4.148 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.952 15.459 5.255 1.00 0.00 H new ATOM 0 HA MET A 1 -16.991 15.592 4.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.932 15.130 7.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.701 13.699 6.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.715 12.539 6.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.840 13.919 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.460 12.141 9.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.885 11.819 8.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.250 11.575 8.201 1.00 0.00 H new ATOM 20 N SER A 2 -19.165 13.237 4.101 1.00 0.00 N ATOM 21 CA SER A 2 -19.387 12.173 3.081 1.00 0.00 C ATOM 22 C SER A 2 -18.487 10.974 3.391 1.00 0.00 C ATOM 23 O SER A 2 -18.394 10.041 2.620 1.00 0.00 O ATOM 24 CB SER A 2 -19.048 12.723 1.694 1.00 0.00 C ATOM 25 OG SER A 2 -17.726 12.335 1.344 1.00 0.00 O ATOM 0 H SER A 2 -19.902 13.329 4.800 1.00 0.00 H new ATOM 0 HA SER A 2 -20.430 11.857 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.757 12.345 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.133 13.810 1.690 1.00 0.00 H new ATOM 0 HG SER A 2 -17.083 12.932 1.781 1.00 0.00 H new ATOM 31 N TRP A 3 -17.825 10.992 4.516 1.00 0.00 N ATOM 32 CA TRP A 3 -16.931 9.855 4.874 1.00 0.00 C ATOM 33 C TRP A 3 -15.948 9.594 3.731 1.00 0.00 C ATOM 34 O TRP A 3 -15.629 10.479 2.963 1.00 0.00 O ATOM 35 CB TRP A 3 -17.774 8.602 5.123 1.00 0.00 C ATOM 36 CG TRP A 3 -18.952 8.952 5.974 1.00 0.00 C ATOM 37 CD1 TRP A 3 -18.912 9.741 7.071 1.00 0.00 C ATOM 38 CD2 TRP A 3 -20.340 8.538 5.819 1.00 0.00 C ATOM 39 NE1 TRP A 3 -20.186 9.840 7.599 1.00 0.00 N ATOM 40 CE2 TRP A 3 -21.102 9.115 6.862 1.00 0.00 C ATOM 41 CE3 TRP A 3 -21.005 7.726 4.882 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -22.476 8.894 6.973 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -22.387 7.501 4.990 1.00 0.00 C ATOM 44 CH2 TRP A 3 -23.121 8.085 6.034 1.00 0.00 C ATOM 0 H TRP A 3 -17.865 11.745 5.203 1.00 0.00 H new ATOM 0 HA TRP A 3 -16.374 10.103 5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.109 8.183 4.175 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.172 7.838 5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.028 10.217 7.470 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -20.421 10.382 8.431 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -20.449 7.273 4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -23.036 9.345 7.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -22.888 6.875 4.266 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -24.184 7.909 6.112 1.00 0.00 H new ATOM 55 N ALA A 4 -15.464 8.384 3.620 1.00 0.00 N ATOM 56 CA ALA A 4 -14.497 8.052 2.531 1.00 0.00 C ATOM 57 C ALA A 4 -13.092 8.521 2.921 1.00 0.00 C ATOM 58 O ALA A 4 -12.120 8.213 2.261 1.00 0.00 O ATOM 59 CB ALA A 4 -14.925 8.742 1.233 1.00 0.00 C ATOM 0 H ALA A 4 -15.698 7.608 4.239 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.486 6.972 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.217 8.498 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.920 8.399 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.943 9.821 1.383 1.00 0.00 H new ATOM 65 N LEU A 5 -12.974 9.264 3.989 1.00 0.00 N ATOM 66 CA LEU A 5 -11.629 9.747 4.415 1.00 0.00 C ATOM 67 C LEU A 5 -10.992 8.728 5.362 1.00 0.00 C ATOM 68 O LEU A 5 -9.818 8.427 5.265 1.00 0.00 O ATOM 69 CB LEU A 5 -11.775 11.088 5.136 1.00 0.00 C ATOM 70 CG LEU A 5 -10.673 12.041 4.671 1.00 0.00 C ATOM 71 CD1 LEU A 5 -9.307 11.471 5.060 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.743 12.199 3.150 1.00 0.00 C ATOM 0 H LEU A 5 -13.749 9.557 4.584 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.995 9.870 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.754 11.519 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.713 10.942 6.214 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.810 13.013 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.522 12.150 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.255 11.357 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.170 10.499 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.958 12.878 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.606 11.227 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.715 12.605 2.871 1.00 0.00 H new ATOM 84 N GLU A 6 -11.752 8.194 6.278 1.00 0.00 N ATOM 85 CA GLU A 6 -11.186 7.197 7.227 1.00 0.00 C ATOM 86 C GLU A 6 -10.886 5.895 6.483 1.00 0.00 C ATOM 87 O GLU A 6 -10.310 4.975 7.030 1.00 0.00 O ATOM 88 CB GLU A 6 -12.196 6.925 8.343 1.00 0.00 C ATOM 89 CG GLU A 6 -11.565 6.005 9.389 1.00 0.00 C ATOM 90 CD GLU A 6 -12.405 6.039 10.667 1.00 0.00 C ATOM 91 OE1 GLU A 6 -12.725 7.129 11.112 1.00 0.00 O ATOM 92 OE2 GLU A 6 -12.713 4.975 11.178 1.00 0.00 O ATOM 0 H GLU A 6 -12.741 8.406 6.410 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.265 7.589 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.504 7.863 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.093 6.463 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.507 4.986 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.545 6.324 9.602 1.00 0.00 H new ATOM 99 N MET A 7 -11.269 5.808 5.238 1.00 0.00 N ATOM 100 CA MET A 7 -11.001 4.565 4.466 1.00 0.00 C ATOM 101 C MET A 7 -10.027 4.871 3.327 1.00 0.00 C ATOM 102 O MET A 7 -9.210 4.055 2.985 1.00 0.00 O ATOM 103 CB MET A 7 -12.309 4.016 3.890 1.00 0.00 C ATOM 104 CG MET A 7 -13.109 5.148 3.242 1.00 0.00 C ATOM 105 SD MET A 7 -14.402 4.442 2.190 1.00 0.00 S ATOM 106 CE MET A 7 -15.624 4.164 3.493 1.00 0.00 C ATOM 0 H MET A 7 -11.755 6.543 4.724 1.00 0.00 H new ATOM 0 HA MET A 7 -10.563 3.819 5.129 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.095 3.242 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.897 3.550 4.680 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.554 5.780 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.449 5.783 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.523 3.724 3.061 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.211 3.486 4.240 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.876 5.114 3.964 1.00 0.00 H new ATOM 116 N ALA A 8 -10.157 6.023 2.715 1.00 0.00 N ATOM 117 CA ALA A 8 -9.263 6.439 1.568 1.00 0.00 C ATOM 118 C ALA A 8 -7.912 7.077 1.990 1.00 0.00 C ATOM 119 O ALA A 8 -6.979 7.080 1.233 1.00 0.00 O ATOM 120 CB ALA A 8 -10.023 7.425 0.679 1.00 0.00 C ATOM 0 H ALA A 8 -10.862 6.716 2.964 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.007 5.521 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.387 7.731 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.922 6.946 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.303 8.301 1.264 1.00 0.00 H new ATOM 126 N ASP A 9 -7.819 7.699 3.128 1.00 0.00 N ATOM 127 CA ASP A 9 -6.581 8.426 3.506 1.00 0.00 C ATOM 128 C ASP A 9 -5.266 7.736 3.062 1.00 0.00 C ATOM 129 O ASP A 9 -5.123 7.279 1.931 1.00 0.00 O ATOM 130 CB ASP A 9 -6.611 8.616 5.028 1.00 0.00 C ATOM 131 CG ASP A 9 -5.891 9.915 5.397 1.00 0.00 C ATOM 132 OD1 ASP A 9 -5.057 10.349 4.620 1.00 0.00 O ATOM 133 OD2 ASP A 9 -6.186 10.454 6.451 1.00 0.00 O ATOM 0 H ASP A 9 -8.563 7.735 3.825 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.575 9.379 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.642 8.647 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.131 7.770 5.520 1.00 0.00 H new ATOM 138 N THR A 10 -4.305 7.754 3.961 1.00 0.00 N ATOM 139 CA THR A 10 -2.915 7.225 3.741 1.00 0.00 C ATOM 140 C THR A 10 -2.934 5.969 2.891 1.00 0.00 C ATOM 141 O THR A 10 -2.841 4.866 3.389 1.00 0.00 O ATOM 142 CB THR A 10 -2.310 6.883 5.103 1.00 0.00 C ATOM 143 OG1 THR A 10 -2.215 8.069 5.885 1.00 0.00 O ATOM 144 CG2 THR A 10 -0.920 6.275 4.905 1.00 0.00 C ATOM 0 H THR A 10 -4.440 8.139 4.896 1.00 0.00 H new ATOM 0 HA THR A 10 -2.328 7.984 3.224 1.00 0.00 H new ATOM 0 HB THR A 10 -2.944 6.162 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.829 7.854 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.488 6.031 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.002 5.368 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.279 6.992 4.392 1.00 0.00 H new ATOM 152 N PHE A 11 -3.101 6.131 1.610 1.00 0.00 N ATOM 153 CA PHE A 11 -3.181 4.952 0.710 1.00 0.00 C ATOM 154 C PHE A 11 -4.436 4.187 1.051 1.00 0.00 C ATOM 155 O PHE A 11 -4.720 3.151 0.488 1.00 0.00 O ATOM 156 CB PHE A 11 -2.025 4.008 0.944 1.00 0.00 C ATOM 157 CG PHE A 11 -0.710 4.735 0.800 1.00 0.00 C ATOM 158 CD1 PHE A 11 -0.323 5.243 -0.446 1.00 0.00 C ATOM 159 CD2 PHE A 11 0.125 4.898 1.912 1.00 0.00 C ATOM 160 CE1 PHE A 11 0.899 5.913 -0.580 1.00 0.00 C ATOM 161 CE2 PHE A 11 1.347 5.568 1.778 1.00 0.00 C ATOM 162 CZ PHE A 11 1.734 6.076 0.532 1.00 0.00 C ATOM 0 H PHE A 11 -3.186 7.035 1.146 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.168 5.305 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.099 3.573 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.071 3.184 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.967 5.118 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.174 4.507 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.198 6.304 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.991 5.693 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.676 6.593 0.429 1.00 0.00 H new ATOM 172 N LEU A 12 -5.198 4.692 1.963 1.00 0.00 N ATOM 173 CA LEU A 12 -6.418 4.025 2.334 1.00 0.00 C ATOM 174 C LEU A 12 -7.340 4.166 1.125 1.00 0.00 C ATOM 175 O LEU A 12 -8.338 3.487 0.992 1.00 0.00 O ATOM 176 CB LEU A 12 -6.924 4.736 3.596 1.00 0.00 C ATOM 177 CG LEU A 12 -7.227 3.702 4.682 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.983 2.845 4.920 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.606 4.419 5.979 1.00 0.00 C ATOM 0 H LEU A 12 -5.007 5.558 2.467 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.329 2.965 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.175 5.443 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.821 5.311 3.367 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.055 3.069 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.193 2.106 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.710 2.336 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.158 3.482 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.822 3.682 6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.778 5.051 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.489 5.036 5.809 1.00 0.00 H new ATOM 191 N ASP A 13 -6.975 5.042 0.204 1.00 0.00 N ATOM 192 CA ASP A 13 -7.801 5.226 -1.028 1.00 0.00 C ATOM 193 C ASP A 13 -7.844 3.916 -1.815 1.00 0.00 C ATOM 194 O ASP A 13 -8.890 3.325 -1.997 1.00 0.00 O ATOM 195 CB ASP A 13 -7.173 6.319 -1.896 1.00 0.00 C ATOM 196 CG ASP A 13 -8.277 7.108 -2.602 1.00 0.00 C ATOM 197 OD1 ASP A 13 -8.745 6.646 -3.630 1.00 0.00 O ATOM 198 OD2 ASP A 13 -8.636 8.162 -2.103 1.00 0.00 O ATOM 0 H ASP A 13 -6.144 5.631 0.260 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.814 5.514 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.572 6.987 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.503 5.874 -2.631 1.00 0.00 H new ATOM 203 N ASN A 14 -6.716 3.450 -2.276 1.00 0.00 N ATOM 204 CA ASN A 14 -6.697 2.173 -3.040 1.00 0.00 C ATOM 205 C ASN A 14 -6.805 1.009 -2.056 1.00 0.00 C ATOM 206 O ASN A 14 -7.608 0.112 -2.223 1.00 0.00 O ATOM 207 CB ASN A 14 -5.384 2.063 -3.820 1.00 0.00 C ATOM 208 CG ASN A 14 -5.680 2.014 -5.320 1.00 0.00 C ATOM 209 OD1 ASN A 14 -6.287 2.917 -5.861 1.00 0.00 O ATOM 210 ND2 ASN A 14 -5.275 0.990 -6.021 1.00 0.00 N ATOM 0 H ASN A 14 -5.808 3.899 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.533 2.147 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.742 2.915 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.843 1.167 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.468 0.949 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.765 0.231 -5.568 1.00 0.00 H new ATOM 217 N MET A 15 -6.004 1.029 -1.025 1.00 0.00 N ATOM 218 CA MET A 15 -6.046 -0.060 -0.007 1.00 0.00 C ATOM 219 C MET A 15 -6.256 -1.414 -0.689 1.00 0.00 C ATOM 220 O MET A 15 -7.173 -2.145 -0.369 1.00 0.00 O ATOM 221 CB MET A 15 -7.196 0.203 0.967 1.00 0.00 C ATOM 222 CG MET A 15 -6.828 -0.341 2.348 1.00 0.00 C ATOM 223 SD MET A 15 -8.287 -1.093 3.109 1.00 0.00 S ATOM 224 CE MET A 15 -7.409 -2.068 4.353 1.00 0.00 C ATOM 0 H MET A 15 -5.316 1.760 -0.843 1.00 0.00 H new ATOM 0 HA MET A 15 -5.100 -0.079 0.533 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.398 1.272 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 15 -8.108 -0.274 0.607 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.030 -1.078 2.259 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.450 0.464 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.128 -2.626 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.731 -2.764 3.858 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.837 -1.403 5.000 1.00 0.00 H new ATOM 234 N ARG A 16 -5.412 -1.758 -1.620 1.00 0.00 N ATOM 235 CA ARG A 16 -5.565 -3.068 -2.312 1.00 0.00 C ATOM 236 C ARG A 16 -4.522 -4.045 -1.767 1.00 0.00 C ATOM 237 O ARG A 16 -3.745 -4.617 -2.506 1.00 0.00 O ATOM 238 CB ARG A 16 -5.353 -2.879 -3.817 1.00 0.00 C ATOM 239 CG ARG A 16 -6.704 -2.914 -4.534 1.00 0.00 C ATOM 240 CD ARG A 16 -6.486 -2.766 -6.041 1.00 0.00 C ATOM 241 NE ARG A 16 -7.792 -2.504 -6.711 1.00 0.00 N ATOM 242 CZ ARG A 16 -8.148 -1.279 -6.991 1.00 0.00 C ATOM 243 NH1 ARG A 16 -7.263 -0.424 -7.426 1.00 0.00 N ATOM 244 NH2 ARG A 16 -9.391 -0.912 -6.838 1.00 0.00 N ATOM 0 H ARG A 16 -4.624 -1.190 -1.932 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.566 -3.463 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.853 -1.929 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.704 -3.664 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.217 -3.852 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.343 -2.111 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.793 -1.948 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.034 -3.672 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.407 -3.281 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.292 -0.712 -7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.542 0.532 -7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.083 -1.581 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.671 0.044 -7.056 1.00 0.00 H new ATOM 258 N VAL A 17 -4.494 -4.238 -0.475 1.00 0.00 N ATOM 259 CA VAL A 17 -3.496 -5.171 0.118 1.00 0.00 C ATOM 260 C VAL A 17 -2.122 -4.496 0.125 1.00 0.00 C ATOM 261 O VAL A 17 -1.164 -5.004 -0.427 1.00 0.00 O ATOM 262 CB VAL A 17 -3.436 -6.451 -0.719 1.00 0.00 C ATOM 263 CG1 VAL A 17 -2.834 -7.582 0.115 1.00 0.00 C ATOM 264 CG2 VAL A 17 -4.851 -6.838 -1.154 1.00 0.00 C ATOM 0 H VAL A 17 -5.120 -3.789 0.194 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.785 -5.422 1.139 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.815 -6.281 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.792 -8.492 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.827 -7.307 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.453 -7.754 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.812 -7.749 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.469 -7.008 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.282 -6.033 -1.750 1.00 0.00 H new ATOM 274 N GLY A 18 -2.024 -3.349 0.739 1.00 0.00 N ATOM 275 CA GLY A 18 -0.720 -2.627 0.779 1.00 0.00 C ATOM 276 C GLY A 18 0.393 -3.562 1.269 1.00 0.00 C ATOM 277 O GLY A 18 0.979 -4.285 0.489 1.00 0.00 O ATOM 0 H GLY A 18 -2.793 -2.879 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.476 -2.249 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.795 -1.763 1.439 1.00 0.00 H new ATOM 281 N PRO A 19 0.660 -3.506 2.551 1.00 0.00 N ATOM 282 CA PRO A 19 1.712 -4.325 3.181 1.00 0.00 C ATOM 283 C PRO A 19 1.234 -5.763 3.398 1.00 0.00 C ATOM 284 O PRO A 19 1.647 -6.672 2.707 1.00 0.00 O ATOM 285 CB PRO A 19 1.954 -3.626 4.522 1.00 0.00 C ATOM 286 CG PRO A 19 0.670 -2.819 4.831 1.00 0.00 C ATOM 287 CD PRO A 19 -0.062 -2.623 3.489 1.00 0.00 C ATOM 0 HA PRO A 19 2.611 -4.400 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.154 -4.353 5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.822 -2.969 4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.039 -3.352 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.916 -1.858 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.114 -2.898 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.027 -1.583 3.164 1.00 0.00 H new ATOM 294 N ARG A 20 0.376 -5.973 4.361 1.00 0.00 N ATOM 295 CA ARG A 20 -0.126 -7.351 4.634 1.00 0.00 C ATOM 296 C ARG A 20 0.993 -8.188 5.259 1.00 0.00 C ATOM 297 O ARG A 20 0.896 -9.396 5.356 1.00 0.00 O ATOM 298 CB ARG A 20 -0.588 -8.005 3.329 1.00 0.00 C ATOM 299 CG ARG A 20 -1.299 -9.321 3.644 1.00 0.00 C ATOM 300 CD ARG A 20 -2.731 -9.270 3.110 1.00 0.00 C ATOM 301 NE ARG A 20 -3.342 -10.625 3.207 1.00 0.00 N ATOM 302 CZ ARG A 20 -4.473 -10.876 2.608 1.00 0.00 C ATOM 303 NH1 ARG A 20 -4.609 -10.616 1.336 1.00 0.00 N ATOM 304 NH2 ARG A 20 -5.467 -11.386 3.281 1.00 0.00 N ATOM 0 H ARG A 20 0.000 -5.247 4.972 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.968 -7.296 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.260 -7.336 2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.267 -8.188 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.761 -10.154 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.307 -9.493 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.319 -8.552 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.733 -8.931 2.074 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.875 -11.357 3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.831 -10.217 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.493 -10.812 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.359 -11.588 4.275 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.352 -11.583 2.813 1.00 0.00 H new ATOM 318 N THR A 21 2.053 -7.557 5.685 1.00 0.00 N ATOM 319 CA THR A 21 3.176 -8.319 6.306 1.00 0.00 C ATOM 320 C THR A 21 3.364 -7.860 7.754 1.00 0.00 C ATOM 321 O THR A 21 4.186 -7.015 8.044 1.00 0.00 O ATOM 322 CB THR A 21 4.463 -8.061 5.520 1.00 0.00 C ATOM 323 OG1 THR A 21 4.261 -8.397 4.155 1.00 0.00 O ATOM 324 CG2 THR A 21 5.592 -8.916 6.096 1.00 0.00 C ATOM 0 H THR A 21 2.191 -6.548 5.630 1.00 0.00 H new ATOM 0 HA THR A 21 2.946 -9.384 6.288 1.00 0.00 H new ATOM 0 HB THR A 21 4.731 -7.007 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.085 -8.230 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.509 -8.733 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.748 -8.656 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.325 -9.970 6.020 1.00 0.00 H new ATOM 332 N TYR A 22 2.606 -8.409 8.664 1.00 0.00 N ATOM 333 CA TYR A 22 2.741 -7.995 10.093 1.00 0.00 C ATOM 334 C TYR A 22 3.358 -9.134 10.908 1.00 0.00 C ATOM 335 O TYR A 22 4.373 -8.965 11.547 1.00 0.00 O ATOM 336 CB TYR A 22 1.367 -7.642 10.687 1.00 0.00 C ATOM 337 CG TYR A 22 0.266 -7.953 9.698 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.060 -7.025 8.703 1.00 0.00 C ATOM 339 CD2 TYR A 22 -0.426 -9.167 9.779 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.078 -7.310 7.786 1.00 0.00 C ATOM 341 CE2 TYR A 22 -1.445 -9.453 8.862 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.771 -8.524 7.866 1.00 0.00 C ATOM 343 OH TYR A 22 -2.775 -8.806 6.962 1.00 0.00 O ATOM 0 H TYR A 22 1.901 -9.124 8.482 1.00 0.00 H new ATOM 0 HA TYR A 22 3.385 -7.117 10.135 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.207 -8.204 11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.339 -6.585 10.951 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.474 -6.088 8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.174 -9.882 10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.329 -6.594 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.979 -10.390 8.923 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.152 -9.689 7.157 1.00 0.00 H new ATOM 353 N ALA A 23 2.753 -10.287 10.905 1.00 0.00 N ATOM 354 CA ALA A 23 3.319 -11.415 11.697 1.00 0.00 C ATOM 355 C ALA A 23 4.827 -11.504 11.459 1.00 0.00 C ATOM 356 O ALA A 23 5.591 -11.902 12.320 1.00 0.00 O ATOM 357 CB ALA A 23 2.655 -12.725 11.270 1.00 0.00 C ATOM 0 H ALA A 23 1.897 -10.498 10.393 1.00 0.00 H new ATOM 0 HA ALA A 23 3.130 -11.242 12.757 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.070 -13.549 11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.581 -12.663 11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.840 -12.898 10.210 1.00 0.00 H new ATOM 363 N ASP A 24 5.246 -11.139 10.290 1.00 0.00 N ATOM 364 CA ASP A 24 6.698 -11.202 9.946 1.00 0.00 C ATOM 365 C ASP A 24 7.440 -9.996 10.532 1.00 0.00 C ATOM 366 O ASP A 24 8.205 -10.132 11.466 1.00 0.00 O ATOM 367 CB ASP A 24 6.856 -11.207 8.425 1.00 0.00 C ATOM 368 CG ASP A 24 7.330 -12.587 7.966 1.00 0.00 C ATOM 369 OD1 ASP A 24 6.532 -13.508 8.002 1.00 0.00 O ATOM 370 OD2 ASP A 24 8.484 -12.698 7.584 1.00 0.00 O ATOM 0 H ASP A 24 4.643 -10.794 9.543 1.00 0.00 H new ATOM 0 HA ASP A 24 7.122 -12.113 10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.907 -10.960 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.573 -10.445 8.121 1.00 0.00 H new ATOM 375 N VAL A 25 7.232 -8.826 9.979 1.00 0.00 N ATOM 376 CA VAL A 25 7.933 -7.608 10.493 1.00 0.00 C ATOM 377 C VAL A 25 8.041 -7.681 12.016 1.00 0.00 C ATOM 378 O VAL A 25 9.097 -7.497 12.587 1.00 0.00 O ATOM 379 CB VAL A 25 7.141 -6.361 10.100 1.00 0.00 C ATOM 380 CG1 VAL A 25 7.840 -5.115 10.647 1.00 0.00 C ATOM 381 CG2 VAL A 25 7.058 -6.269 8.576 1.00 0.00 C ATOM 0 H VAL A 25 6.605 -8.662 9.191 1.00 0.00 H new ATOM 0 HA VAL A 25 8.933 -7.558 10.061 1.00 0.00 H new ATOM 0 HB VAL A 25 6.136 -6.425 10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.274 -4.227 10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.899 -5.178 11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.846 -5.050 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.493 -5.380 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.064 -6.207 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.558 -7.155 8.185 1.00 0.00 H new ATOM 391 N ARG A 26 6.955 -7.962 12.672 1.00 0.00 N ATOM 392 CA ARG A 26 6.981 -8.065 14.157 1.00 0.00 C ATOM 393 C ARG A 26 7.887 -9.225 14.558 1.00 0.00 C ATOM 394 O ARG A 26 8.836 -9.003 15.256 1.00 0.00 O ATOM 395 CB ARG A 26 5.553 -8.269 14.678 1.00 0.00 C ATOM 396 CG ARG A 26 4.623 -7.224 14.056 1.00 0.00 C ATOM 397 CD ARG A 26 3.172 -7.562 14.403 1.00 0.00 C ATOM 398 NE ARG A 26 2.917 -7.241 15.835 1.00 0.00 N ATOM 399 CZ ARG A 26 1.767 -6.738 16.195 1.00 0.00 C ATOM 400 NH1 ARG A 26 1.713 -5.551 16.733 1.00 0.00 N ATOM 401 NH2 ARG A 26 0.671 -7.422 16.014 1.00 0.00 N ATOM 0 H ARG A 26 6.044 -8.126 12.243 1.00 0.00 H new ATOM 0 HA ARG A 26 7.375 -7.149 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.205 -9.272 14.431 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.536 -8.184 15.765 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.875 -6.231 14.427 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.754 -7.203 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.493 -6.996 13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.978 -8.618 14.216 1.00 0.00 H new ATOM 0 HE ARG A 26 3.640 -7.414 16.534 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.569 -5.015 16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.814 -5.159 17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.713 -8.349 15.591 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.227 -7.029 16.295 1.00 0.00 H new ATOM 415 N ASP A 27 7.655 -10.450 14.104 1.00 0.00 N ATOM 416 CA ASP A 27 8.597 -11.574 14.484 1.00 0.00 C ATOM 417 C ASP A 27 10.001 -11.011 14.467 1.00 0.00 C ATOM 418 O ASP A 27 10.833 -11.412 15.243 1.00 0.00 O ATOM 419 CB ASP A 27 8.477 -12.734 13.493 1.00 0.00 C ATOM 420 CG ASP A 27 9.534 -13.793 13.815 1.00 0.00 C ATOM 421 OD1 ASP A 27 9.459 -14.368 14.889 1.00 0.00 O ATOM 422 OD2 ASP A 27 10.399 -14.012 12.983 1.00 0.00 O ATOM 0 H ASP A 27 6.875 -10.715 13.502 1.00 0.00 H new ATOM 0 HA ASP A 27 8.349 -11.961 15.472 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.480 -13.172 13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.610 -12.371 12.474 1.00 0.00 H new ATOM 427 N GLU A 28 10.221 -10.002 13.659 1.00 0.00 N ATOM 428 CA GLU A 28 11.503 -9.313 13.688 1.00 0.00 C ATOM 429 C GLU A 28 11.522 -8.708 15.077 1.00 0.00 C ATOM 430 O GLU A 28 10.993 -7.643 15.306 1.00 0.00 O ATOM 431 CB GLU A 28 11.565 -8.224 12.613 1.00 0.00 C ATOM 432 CG GLU A 28 13.010 -8.054 12.141 1.00 0.00 C ATOM 433 CD GLU A 28 13.090 -8.323 10.637 1.00 0.00 C ATOM 434 OE1 GLU A 28 12.484 -7.575 9.888 1.00 0.00 O ATOM 435 OE2 GLU A 28 13.756 -9.273 10.260 1.00 0.00 O ATOM 0 H GLU A 28 9.548 -9.640 12.983 1.00 0.00 H new ATOM 0 HA GLU A 28 12.352 -9.967 13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.926 -8.492 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.189 -7.282 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.359 -7.045 12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.663 -8.741 12.679 1.00 0.00 H new ATOM 442 N ILE A 29 12.018 -9.475 15.998 1.00 0.00 N ATOM 443 CA ILE A 29 12.006 -9.114 17.450 1.00 0.00 C ATOM 444 C ILE A 29 10.777 -9.806 18.048 1.00 0.00 C ATOM 445 O ILE A 29 9.877 -9.137 18.515 1.00 0.00 O ATOM 446 CB ILE A 29 11.848 -7.603 17.637 1.00 0.00 C ATOM 447 CG1 ILE A 29 12.995 -6.872 16.933 1.00 0.00 C ATOM 448 CG2 ILE A 29 11.884 -7.282 19.134 1.00 0.00 C ATOM 449 CD1 ILE A 29 14.330 -7.482 17.363 1.00 0.00 C ATOM 0 H ILE A 29 12.451 -10.377 15.802 1.00 0.00 H new ATOM 0 HA ILE A 29 12.938 -9.419 17.926 1.00 0.00 H new ATOM 0 HB ILE A 29 10.900 -7.278 17.209 1.00 0.00 H new ATOM 0 HG12 ILE A 29 12.880 -6.949 15.852 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.971 -5.811 17.182 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.772 -6.207 19.278 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.069 -7.803 19.637 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.836 -7.607 19.553 1.00 0.00 H new ATOM 0 HD11 ILE A 29 15.146 -6.962 16.862 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.445 -7.382 18.442 1.00 0.00 H new ATOM 0 HD13 ILE A 29 14.352 -8.537 17.092 1.00 0.00 H new ATOM 461 N ASN A 30 10.718 -11.137 18.004 1.00 0.00 N ATOM 462 CA ASN A 30 9.533 -11.884 18.499 1.00 0.00 C ATOM 463 C ASN A 30 8.302 -11.005 18.470 1.00 0.00 C ATOM 464 O ASN A 30 7.522 -11.012 19.395 1.00 0.00 O ATOM 465 CB ASN A 30 9.766 -12.393 19.897 1.00 0.00 C ATOM 466 CG ASN A 30 10.042 -11.220 20.840 1.00 0.00 C ATOM 467 OD1 ASN A 30 9.372 -10.207 20.779 1.00 0.00 O ATOM 468 ND2 ASN A 30 11.004 -11.314 21.715 1.00 0.00 N ATOM 0 H ASN A 30 11.464 -11.727 17.636 1.00 0.00 H new ATOM 0 HA ASN A 30 9.374 -12.737 17.840 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.894 -12.950 20.241 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.609 -13.084 19.906 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.195 -10.538 22.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.566 -12.164 21.766 1.00 0.00 H new ATOM 475 N LYS A 31 8.144 -10.271 17.387 1.00 0.00 N ATOM 476 CA LYS A 31 6.951 -9.360 17.203 1.00 0.00 C ATOM 477 C LYS A 31 7.322 -7.851 17.230 1.00 0.00 C ATOM 478 O LYS A 31 6.450 -7.030 17.440 1.00 0.00 O ATOM 479 CB LYS A 31 5.867 -9.605 18.272 1.00 0.00 C ATOM 480 CG LYS A 31 6.188 -8.824 19.559 1.00 0.00 C ATOM 481 CD LYS A 31 5.148 -9.150 20.633 1.00 0.00 C ATOM 482 CE LYS A 31 5.036 -10.666 20.802 1.00 0.00 C ATOM 483 NZ LYS A 31 4.108 -10.972 21.928 1.00 0.00 N ATOM 0 H LYS A 31 8.801 -10.262 16.607 1.00 0.00 H new ATOM 0 HA LYS A 31 6.565 -9.609 16.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.894 -9.299 17.888 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.801 -10.670 18.494 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.185 -9.084 19.914 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.191 -7.753 19.355 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.432 -8.689 21.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.180 -8.733 20.354 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.670 -11.119 19.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.019 -11.094 20.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.031 -12.003 22.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.476 -10.551 22.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.169 -10.576 21.721 1.00 0.00 H new ATOM 497 N ARG A 32 8.559 -7.436 17.019 1.00 0.00 N ATOM 498 CA ARG A 32 8.825 -5.972 17.054 1.00 0.00 C ATOM 499 C ARG A 32 9.576 -5.564 15.780 1.00 0.00 C ATOM 500 O ARG A 32 9.249 -6.001 14.694 1.00 0.00 O ATOM 501 CB ARG A 32 9.652 -5.638 18.302 1.00 0.00 C ATOM 502 CG ARG A 32 9.250 -4.262 18.835 1.00 0.00 C ATOM 503 CD ARG A 32 9.735 -4.115 20.279 1.00 0.00 C ATOM 504 NE ARG A 32 9.271 -2.810 20.829 1.00 0.00 N ATOM 505 CZ ARG A 32 8.080 -2.366 20.537 1.00 0.00 C ATOM 506 NH1 ARG A 32 7.119 -2.449 21.416 1.00 0.00 N ATOM 507 NH2 ARG A 32 7.850 -1.839 19.365 1.00 0.00 N ATOM 0 H ARG A 32 9.364 -8.033 16.831 1.00 0.00 H new ATOM 0 HA ARG A 32 7.886 -5.420 17.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.493 -6.396 19.069 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.715 -5.648 18.059 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.682 -3.478 18.213 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.167 -4.144 18.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.353 -4.935 20.887 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.823 -4.171 20.316 1.00 0.00 H new ATOM 0 HE ARG A 32 9.885 -2.264 21.434 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.299 -2.861 22.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.188 -2.102 21.188 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.602 -1.775 18.678 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.919 -1.492 19.136 1.00 0.00 H new ATOM 521 N GLY A 33 10.574 -4.735 15.897 1.00 0.00 N ATOM 522 CA GLY A 33 11.337 -4.308 14.689 1.00 0.00 C ATOM 523 C GLY A 33 10.436 -3.470 13.779 1.00 0.00 C ATOM 524 O GLY A 33 9.378 -3.902 13.368 1.00 0.00 O ATOM 0 H GLY A 33 10.896 -4.333 16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.211 -3.728 14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.702 -5.182 14.150 1.00 0.00 H new ATOM 528 N ARG A 34 10.849 -2.274 13.459 1.00 0.00 N ATOM 529 CA ARG A 34 10.019 -1.410 12.573 1.00 0.00 C ATOM 530 C ARG A 34 10.593 -1.436 11.156 1.00 0.00 C ATOM 531 O ARG A 34 9.966 -2.028 10.294 1.00 0.00 O ATOM 532 CB ARG A 34 10.027 0.027 13.101 1.00 0.00 C ATOM 533 CG ARG A 34 8.597 0.464 13.427 1.00 0.00 C ATOM 534 CD ARG A 34 8.236 1.698 12.597 1.00 0.00 C ATOM 535 NE ARG A 34 7.101 1.370 11.688 1.00 0.00 N ATOM 536 CZ ARG A 34 7.172 1.670 10.422 1.00 0.00 C ATOM 537 NH1 ARG A 34 7.921 2.664 10.027 1.00 0.00 N ATOM 538 NH2 ARG A 34 6.493 0.978 9.547 1.00 0.00 N ATOM 539 OXT ARG A 34 11.653 -0.865 10.958 1.00 0.00 O ATOM 0 H ARG A 34 11.726 -1.858 13.773 1.00 0.00 H new ATOM 0 HA ARG A 34 8.995 -1.783 12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.650 0.094 13.993 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.461 0.695 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.901 -0.347 13.214 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.508 0.689 14.490 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.963 2.524 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.099 2.024 12.016 1.00 0.00 H new ATOM 0 HE ARG A 34 6.269 0.911 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.451 3.206 10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.976 2.898 9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.907 0.202 9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.549 1.213 8.556 1.00 0.00 H new TER 553 ARG A 34