USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 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 TYR N :NH3+ 144:sc= 1.08 (180deg=-0.0912) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 19 GLN : amide:sc= -0.0211 K(o=-0.021,f=-0.98) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.585 X(o=-0.59,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 34 GLN : amide:sc= -0.0567 K(o=-0.057,f=-0.96) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -20.163 17.877 14.322 1.00 0.00 N ATOM 2 CA TYR A 1 -19.733 19.220 14.760 1.00 0.00 C ATOM 3 C TYR A 1 -20.208 20.270 13.755 1.00 0.00 C ATOM 4 O TYR A 1 -20.364 19.910 12.584 1.00 0.00 O ATOM 5 CB TYR A 1 -18.205 19.272 14.927 1.00 0.00 C ATOM 6 CG TYR A 1 -17.661 18.226 15.882 1.00 0.00 C ATOM 7 CD1 TYR A 1 -17.380 16.920 15.427 1.00 0.00 C ATOM 8 CD2 TYR A 1 -17.448 18.554 17.228 1.00 0.00 C ATOM 9 CE1 TYR A 1 -16.877 15.950 16.315 1.00 0.00 C ATOM 10 CE2 TYR A 1 -16.925 17.596 18.117 1.00 0.00 C ATOM 11 CZ TYR A 1 -16.621 16.300 17.661 1.00 0.00 C ATOM 12 OH TYR A 1 -16.042 15.413 18.514 1.00 0.00 O ATOM 0 H1 TYR A 1 -19.428 17.182 14.562 1.00 0.00 H new ATOM 0 H2 TYR A 1 -21.050 17.623 14.802 1.00 0.00 H new ATOM 0 H3 TYR A 1 -20.314 17.879 13.293 1.00 0.00 H new ATOM 0 HA TYR A 1 -20.182 19.437 15.729 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -17.737 19.139 13.952 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -17.921 20.261 15.285 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -17.552 16.663 14.392 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -17.686 19.545 17.584 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -16.688 14.944 15.970 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -16.757 17.856 19.152 1.00 0.00 H new ATOM 0 HH TYR A 1 -15.942 15.826 19.397 1.00 0.00 H new ATOM 24 N PRO A 2 -20.487 21.512 14.191 1.00 0.00 N ATOM 25 CA PRO A 2 -20.811 22.627 13.305 1.00 0.00 C ATOM 26 C PRO A 2 -19.569 23.116 12.553 1.00 0.00 C ATOM 27 O PRO A 2 -18.452 22.859 12.984 1.00 0.00 O ATOM 28 CB PRO A 2 -21.364 23.727 14.211 1.00 0.00 C ATOM 29 CG PRO A 2 -20.773 23.443 15.596 1.00 0.00 C ATOM 30 CD PRO A 2 -20.326 21.980 15.562 1.00 0.00 C ATOM 0 HA PRO A 2 -21.532 22.331 12.543 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.073 24.715 13.854 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.454 23.706 14.236 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.933 24.105 15.806 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.513 23.608 16.379 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.288 21.887 15.881 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.924 21.379 16.247 1.00 0.00 H new ATOM 38 N SER A 3 -19.792 23.867 11.463 1.00 0.00 N ATOM 39 CA SER A 3 -18.771 24.337 10.518 1.00 0.00 C ATOM 40 C SER A 3 -17.863 23.201 10.038 1.00 0.00 C ATOM 41 O SER A 3 -16.858 22.866 10.661 1.00 0.00 O ATOM 42 CB SER A 3 -17.957 25.497 11.108 1.00 0.00 C ATOM 43 OG SER A 3 -17.233 26.155 10.082 1.00 0.00 O ATOM 0 H SER A 3 -20.730 24.176 11.207 1.00 0.00 H new ATOM 0 HA SER A 3 -19.297 24.713 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.623 26.203 11.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.269 25.121 11.865 1.00 0.00 H new ATOM 0 HG SER A 3 -16.718 26.894 10.468 1.00 0.00 H new ATOM 49 N LYS A 4 -18.231 22.600 8.902 1.00 0.00 N ATOM 50 CA LYS A 4 -17.482 21.508 8.274 1.00 0.00 C ATOM 51 C LYS A 4 -16.900 22.002 6.943 1.00 0.00 C ATOM 52 O LYS A 4 -17.525 21.809 5.903 1.00 0.00 O ATOM 53 CB LYS A 4 -18.359 20.257 8.159 1.00 0.00 C ATOM 54 CG LYS A 4 -18.675 19.686 9.553 1.00 0.00 C ATOM 55 CD LYS A 4 -19.499 18.397 9.482 1.00 0.00 C ATOM 56 CE LYS A 4 -18.999 17.371 10.505 1.00 0.00 C ATOM 57 NZ LYS A 4 -19.790 16.112 10.457 1.00 0.00 N ATOM 0 H LYS A 4 -19.070 22.863 8.386 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.636 21.207 8.892 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.287 20.503 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.850 19.503 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.743 19.489 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.220 20.431 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.549 18.621 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.437 17.976 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.949 17.148 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.056 17.798 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.422 15.443 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.787 16.321 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.715 15.691 9.509 1.00 0.00 H new ATOM 71 N PRO A 5 -15.734 22.687 6.963 1.00 0.00 N ATOM 72 CA PRO A 5 -15.034 23.124 5.761 1.00 0.00 C ATOM 73 C PRO A 5 -14.369 21.917 5.078 1.00 0.00 C ATOM 74 O PRO A 5 -13.143 21.817 5.016 1.00 0.00 O ATOM 75 CB PRO A 5 -14.061 24.214 6.229 1.00 0.00 C ATOM 76 CG PRO A 5 -13.783 23.892 7.696 1.00 0.00 C ATOM 77 CD PRO A 5 -14.974 23.051 8.147 1.00 0.00 C ATOM 0 HA PRO A 5 -15.689 23.542 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -13.143 24.202 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -14.497 25.207 6.119 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.847 23.345 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.694 24.802 8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.634 22.158 8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.597 23.613 8.843 1.00 0.00 H new ATOM 85 N ASP A 6 -15.194 20.990 4.589 1.00 0.00 N ATOM 86 CA ASP A 6 -14.756 19.829 3.819 1.00 0.00 C ATOM 87 C ASP A 6 -13.984 20.291 2.580 1.00 0.00 C ATOM 88 O ASP A 6 -14.429 21.160 1.830 1.00 0.00 O ATOM 89 CB ASP A 6 -15.951 18.963 3.376 1.00 0.00 C ATOM 90 CG ASP A 6 -16.572 18.097 4.482 1.00 0.00 C ATOM 91 OD1 ASP A 6 -15.833 17.595 5.359 1.00 0.00 O ATOM 92 OD2 ASP A 6 -17.799 17.872 4.393 1.00 0.00 O ATOM 0 H ASP A 6 -16.205 21.028 4.721 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.113 19.227 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.723 19.617 2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.627 18.311 2.564 1.00 0.00 H new ATOM 97 N ASN A 7 -12.801 19.710 2.371 1.00 0.00 N ATOM 98 CA ASN A 7 -11.959 20.000 1.226 1.00 0.00 C ATOM 99 C ASN A 7 -11.104 18.775 0.861 1.00 0.00 C ATOM 100 O ASN A 7 -10.918 17.883 1.692 1.00 0.00 O ATOM 101 CB ASN A 7 -11.124 21.268 1.532 1.00 0.00 C ATOM 102 CG ASN A 7 -10.312 21.231 2.820 1.00 0.00 C ATOM 103 OD1 ASN A 7 -9.848 20.215 3.309 1.00 0.00 O ATOM 104 ND2 ASN A 7 -10.070 22.387 3.401 1.00 0.00 N ATOM 0 H ASN A 7 -12.403 19.017 3.005 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.564 20.209 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.442 21.441 0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.799 22.123 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.502 22.423 4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.451 23.246 3.005 1.00 0.00 H new ATOM 111 N PRO A 8 -10.604 18.693 -0.387 1.00 0.00 N ATOM 112 CA PRO A 8 -9.602 17.707 -0.749 1.00 0.00 C ATOM 113 C PRO A 8 -8.222 18.089 -0.197 1.00 0.00 C ATOM 114 O PRO A 8 -7.987 19.208 0.257 1.00 0.00 O ATOM 115 CB PRO A 8 -9.629 17.651 -2.280 1.00 0.00 C ATOM 116 CG PRO A 8 -10.198 19.001 -2.725 1.00 0.00 C ATOM 117 CD PRO A 8 -10.884 19.592 -1.495 1.00 0.00 C ATOM 0 HA PRO A 8 -9.812 16.727 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.630 17.493 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.250 16.827 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.407 19.659 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.906 18.876 -3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.507 20.593 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.958 19.683 -1.657 1.00 0.00 H new ATOM 125 N GLY A 9 -7.290 17.141 -0.279 1.00 0.00 N ATOM 126 CA GLY A 9 -5.920 17.339 0.175 1.00 0.00 C ATOM 127 C GLY A 9 -5.056 16.175 -0.258 1.00 0.00 C ATOM 128 O GLY A 9 -4.262 16.323 -1.185 1.00 0.00 O ATOM 0 H GLY A 9 -7.467 16.213 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.524 18.268 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.898 17.434 1.261 1.00 0.00 H new ATOM 132 N GLU A 10 -5.246 15.018 0.394 1.00 0.00 N ATOM 133 CA GLU A 10 -4.485 13.773 0.209 1.00 0.00 C ATOM 134 C GLU A 10 -3.015 13.916 0.633 1.00 0.00 C ATOM 135 O GLU A 10 -2.542 13.120 1.438 1.00 0.00 O ATOM 136 CB GLU A 10 -4.640 13.242 -1.232 1.00 0.00 C ATOM 137 CG GLU A 10 -5.520 11.996 -1.329 1.00 0.00 C ATOM 138 CD GLU A 10 -5.955 11.795 -2.790 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.111 11.304 -3.571 1.00 0.00 O ATOM 140 OE2 GLU A 10 -7.096 12.197 -3.134 1.00 0.00 O ATOM 0 H GLU A 10 -5.973 14.921 1.102 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.911 13.025 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.065 14.027 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.653 13.013 -1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.973 11.122 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.395 12.104 -0.688 1.00 0.00 H new ATOM 147 N ASP A 11 -2.311 14.934 0.121 1.00 0.00 N ATOM 148 CA ASP A 11 -0.891 15.247 0.330 1.00 0.00 C ATOM 149 C ASP A 11 -0.027 14.200 -0.394 1.00 0.00 C ATOM 150 O ASP A 11 0.675 14.511 -1.356 1.00 0.00 O ATOM 151 CB ASP A 11 -0.578 15.373 1.852 1.00 0.00 C ATOM 152 CG ASP A 11 0.364 16.510 2.276 1.00 0.00 C ATOM 153 OD1 ASP A 11 1.329 16.806 1.539 1.00 0.00 O ATOM 154 OD2 ASP A 11 0.193 17.025 3.403 1.00 0.00 O ATOM 0 H ASP A 11 -2.754 15.613 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.647 16.217 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.522 15.498 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.145 14.431 2.189 1.00 0.00 H new ATOM 159 N ALA A 12 -0.142 12.939 0.036 1.00 0.00 N ATOM 160 CA ALA A 12 0.570 11.777 -0.479 1.00 0.00 C ATOM 161 C ALA A 12 -0.154 10.459 -0.127 1.00 0.00 C ATOM 162 O ALA A 12 -1.043 10.444 0.725 1.00 0.00 O ATOM 163 CB ALA A 12 1.997 11.824 0.100 1.00 0.00 C ATOM 0 H ALA A 12 -0.774 12.694 0.798 1.00 0.00 H new ATOM 0 HA ALA A 12 0.606 11.806 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.565 10.968 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.487 12.745 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.949 11.793 1.189 1.00 0.00 H new ATOM 169 N PRO A 13 0.223 9.325 -0.757 1.00 0.00 N ATOM 170 CA PRO A 13 -0.351 8.018 -0.481 1.00 0.00 C ATOM 171 C PRO A 13 0.137 7.441 0.857 1.00 0.00 C ATOM 172 O PRO A 13 1.008 6.568 0.913 1.00 0.00 O ATOM 173 CB PRO A 13 0.011 7.148 -1.690 1.00 0.00 C ATOM 174 CG PRO A 13 1.256 7.804 -2.294 1.00 0.00 C ATOM 175 CD PRO A 13 1.246 9.242 -1.789 1.00 0.00 C ATOM 0 HA PRO A 13 -1.433 8.068 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.213 6.120 -1.390 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.806 7.115 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.163 7.285 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.228 7.771 -3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.222 9.516 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.030 9.935 -2.602 1.00 0.00 H new ATOM 183 N ALA A 14 -0.457 7.927 1.948 1.00 0.00 N ATOM 184 CA ALA A 14 -0.217 7.469 3.311 1.00 0.00 C ATOM 185 C ALA A 14 -1.455 7.762 4.174 1.00 0.00 C ATOM 186 O ALA A 14 -2.329 8.509 3.754 1.00 0.00 O ATOM 187 CB ALA A 14 1.053 8.143 3.846 1.00 0.00 C ATOM 0 H ALA A 14 -1.144 8.679 1.901 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.055 6.392 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.241 7.807 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.900 7.877 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.921 9.225 3.839 1.00 0.00 H new ATOM 193 N GLU A 15 -1.557 7.136 5.356 1.00 0.00 N ATOM 194 CA GLU A 15 -2.679 7.244 6.314 1.00 0.00 C ATOM 195 C GLU A 15 -4.049 6.754 5.806 1.00 0.00 C ATOM 196 O GLU A 15 -4.986 6.577 6.580 1.00 0.00 O ATOM 197 CB GLU A 15 -2.702 8.670 6.891 1.00 0.00 C ATOM 198 CG GLU A 15 -3.486 8.825 8.209 1.00 0.00 C ATOM 199 CD GLU A 15 -4.694 9.770 8.145 1.00 0.00 C ATOM 200 OE1 GLU A 15 -4.499 10.952 7.779 1.00 0.00 O ATOM 201 OE2 GLU A 15 -5.770 9.330 8.612 1.00 0.00 O ATOM 0 H GLU A 15 -0.826 6.509 5.691 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.485 6.531 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.675 8.996 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.134 9.340 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.832 7.841 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.804 9.186 8.979 1.00 0.00 H new ATOM 208 N ASP A 16 -4.117 6.415 4.521 1.00 0.00 N ATOM 209 CA ASP A 16 -5.300 5.994 3.761 1.00 0.00 C ATOM 210 C ASP A 16 -4.892 4.827 2.853 1.00 0.00 C ATOM 211 O ASP A 16 -5.199 3.668 3.143 1.00 0.00 O ATOM 212 CB ASP A 16 -5.858 7.215 2.982 1.00 0.00 C ATOM 213 CG ASP A 16 -7.381 7.385 3.093 1.00 0.00 C ATOM 214 OD1 ASP A 16 -7.941 7.099 4.176 1.00 0.00 O ATOM 215 OD2 ASP A 16 -7.975 7.799 2.073 1.00 0.00 O ATOM 0 H ASP A 16 -3.283 6.427 3.934 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.102 5.642 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.374 8.120 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.590 7.115 1.930 1.00 0.00 H new ATOM 220 N LEU A 17 -4.106 5.112 1.801 1.00 0.00 N ATOM 221 CA LEU A 17 -3.600 4.105 0.874 1.00 0.00 C ATOM 222 C LEU A 17 -2.726 3.091 1.591 1.00 0.00 C ATOM 223 O LEU A 17 -2.918 1.899 1.381 1.00 0.00 O ATOM 224 CB LEU A 17 -2.869 4.743 -0.318 1.00 0.00 C ATOM 225 CG LEU A 17 -2.164 3.735 -1.263 1.00 0.00 C ATOM 226 CD1 LEU A 17 -1.868 4.369 -2.630 1.00 0.00 C ATOM 227 CD2 LEU A 17 -0.836 3.169 -0.714 1.00 0.00 C ATOM 0 H LEU A 17 -3.805 6.060 1.575 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.460 3.571 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.587 5.323 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.126 5.444 0.062 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.872 2.911 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.374 3.639 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.802 4.686 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.218 5.234 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.410 2.473 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.136 3.986 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.023 2.647 0.225 1.00 0.00 H new ATOM 239 N ALA A 18 -1.750 3.532 2.396 1.00 0.00 N ATOM 240 CA ALA A 18 -0.827 2.611 3.057 1.00 0.00 C ATOM 241 C ALA A 18 -1.593 1.535 3.838 1.00 0.00 C ATOM 242 O ALA A 18 -1.290 0.349 3.727 1.00 0.00 O ATOM 243 CB ALA A 18 0.119 3.402 3.958 1.00 0.00 C ATOM 0 H ALA A 18 -1.583 4.517 2.602 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.233 2.092 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.808 2.717 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.684 4.114 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.459 3.940 4.709 1.00 0.00 H new ATOM 249 N GLN A 19 -2.648 1.949 4.548 1.00 0.00 N ATOM 250 CA GLN A 19 -3.572 1.094 5.279 1.00 0.00 C ATOM 251 C GLN A 19 -4.411 0.221 4.333 1.00 0.00 C ATOM 252 O GLN A 19 -4.492 -0.981 4.547 1.00 0.00 O ATOM 253 CB GLN A 19 -4.434 1.990 6.192 1.00 0.00 C ATOM 254 CG GLN A 19 -4.520 1.463 7.634 1.00 0.00 C ATOM 255 CD GLN A 19 -5.592 0.407 7.830 1.00 0.00 C ATOM 256 OE1 GLN A 19 -6.657 0.471 7.239 1.00 0.00 O ATOM 257 NE2 GLN A 19 -5.387 -0.556 8.707 1.00 0.00 N ATOM 0 H GLN A 19 -2.887 2.937 4.628 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.019 0.388 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.018 2.997 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.439 2.064 5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.554 1.046 7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.717 2.298 8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.498 -0.613 9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.118 -1.244 8.889 1.00 0.00 H new ATOM 266 N TYR A 20 -4.955 0.783 3.245 1.00 0.00 N ATOM 267 CA TYR A 20 -5.698 0.065 2.209 1.00 0.00 C ATOM 268 C TYR A 20 -4.864 -1.041 1.555 1.00 0.00 C ATOM 269 O TYR A 20 -5.258 -2.208 1.539 1.00 0.00 O ATOM 270 CB TYR A 20 -6.165 1.080 1.158 1.00 0.00 C ATOM 271 CG TYR A 20 -6.989 0.492 0.034 1.00 0.00 C ATOM 272 CD1 TYR A 20 -8.260 -0.029 0.316 1.00 0.00 C ATOM 273 CD2 TYR A 20 -6.490 0.468 -1.287 1.00 0.00 C ATOM 274 CE1 TYR A 20 -9.033 -0.594 -0.717 1.00 0.00 C ATOM 275 CE2 TYR A 20 -7.255 -0.075 -2.318 1.00 0.00 C ATOM 276 CZ TYR A 20 -8.529 -0.624 -2.038 1.00 0.00 C ATOM 277 OH TYR A 20 -9.258 -1.204 -3.024 1.00 0.00 O ATOM 0 H TYR A 20 -4.886 1.783 3.059 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.554 -0.427 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.752 1.853 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.290 1.569 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.646 0.003 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.511 0.872 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.009 -1.003 -0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.876 -0.077 -3.329 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.771 -1.140 -3.872 1.00 0.00 H new ATOM 287 N ALA A 21 -3.684 -0.682 1.046 1.00 0.00 N ATOM 288 CA ALA A 21 -2.733 -1.604 0.441 1.00 0.00 C ATOM 289 C ALA A 21 -2.336 -2.700 1.437 1.00 0.00 C ATOM 290 O ALA A 21 -2.173 -3.844 1.019 1.00 0.00 O ATOM 291 CB ALA A 21 -1.508 -0.819 -0.059 1.00 0.00 C ATOM 0 H ALA A 21 -3.359 0.285 1.045 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.197 -2.098 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.795 -1.508 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.824 -0.084 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.036 -0.308 0.780 1.00 0.00 H new ATOM 297 N ALA A 22 -2.255 -2.370 2.739 1.00 0.00 N ATOM 298 CA ALA A 22 -1.977 -3.312 3.823 1.00 0.00 C ATOM 299 C ALA A 22 -3.161 -4.247 4.081 1.00 0.00 C ATOM 300 O ALA A 22 -2.943 -5.445 4.130 1.00 0.00 O ATOM 301 CB ALA A 22 -1.601 -2.573 5.116 1.00 0.00 C ATOM 0 H ALA A 22 -2.386 -1.413 3.068 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.129 -3.919 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.400 -3.298 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.711 -1.968 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.425 -1.927 5.419 1.00 0.00 H new ATOM 307 N ASP A 23 -4.389 -3.727 4.218 1.00 0.00 N ATOM 308 CA ASP A 23 -5.617 -4.522 4.312 1.00 0.00 C ATOM 309 C ASP A 23 -5.681 -5.514 3.165 1.00 0.00 C ATOM 310 O ASP A 23 -5.904 -6.701 3.391 1.00 0.00 O ATOM 311 CB ASP A 23 -6.868 -3.620 4.293 1.00 0.00 C ATOM 312 CG ASP A 23 -7.542 -3.529 5.661 1.00 0.00 C ATOM 313 OD1 ASP A 23 -8.023 -4.580 6.125 1.00 0.00 O ATOM 314 OD2 ASP A 23 -7.601 -2.418 6.217 1.00 0.00 O ATOM 0 H ASP A 23 -4.557 -2.722 4.267 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.599 -5.061 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.587 -2.620 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.581 -4.007 3.565 1.00 0.00 H new ATOM 319 N LEU A 24 -5.422 -5.049 1.937 1.00 0.00 N ATOM 320 CA LEU A 24 -5.424 -5.923 0.768 1.00 0.00 C ATOM 321 C LEU A 24 -4.281 -6.953 0.817 1.00 0.00 C ATOM 322 O LEU A 24 -4.513 -8.138 0.544 1.00 0.00 O ATOM 323 CB LEU A 24 -5.445 -5.080 -0.523 1.00 0.00 C ATOM 324 CG LEU A 24 -6.719 -4.219 -0.743 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.906 -3.929 -2.240 1.00 0.00 C ATOM 326 CD2 LEU A 24 -8.005 -4.835 -0.180 1.00 0.00 C ATOM 0 H LEU A 24 -5.209 -4.073 1.732 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.337 -6.519 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.578 -4.419 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.330 -5.750 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.551 -3.298 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.802 -3.325 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.038 -3.387 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.011 -4.869 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.844 -4.168 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.186 -5.798 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.900 -4.977 0.896 1.00 0.00 H new ATOM 338 N ARG A 25 -3.077 -6.545 1.246 1.00 0.00 N ATOM 339 CA ARG A 25 -1.936 -7.438 1.506 1.00 0.00 C ATOM 340 C ARG A 25 -2.178 -8.434 2.643 1.00 0.00 C ATOM 341 O ARG A 25 -1.613 -9.525 2.620 1.00 0.00 O ATOM 342 CB ARG A 25 -0.684 -6.591 1.803 1.00 0.00 C ATOM 343 CG ARG A 25 0.277 -6.517 0.607 1.00 0.00 C ATOM 344 CD ARG A 25 1.519 -7.372 0.879 1.00 0.00 C ATOM 345 NE ARG A 25 2.330 -7.570 -0.334 1.00 0.00 N ATOM 346 CZ ARG A 25 2.127 -8.482 -1.272 1.00 0.00 C ATOM 347 NH1 ARG A 25 1.154 -9.363 -1.176 1.00 0.00 N ATOM 348 NH2 ARG A 25 2.900 -8.528 -2.332 1.00 0.00 N ATOM 0 H ARG A 25 -2.864 -5.564 1.426 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.793 -8.037 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.990 -5.583 2.081 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.159 -7.013 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.225 -6.867 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.570 -5.482 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.127 -6.894 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.213 -8.341 1.272 1.00 0.00 H new ATOM 0 HE ARG A 25 3.125 -6.944 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.535 -9.353 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.019 -10.056 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.662 -7.859 -2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.738 -9.233 -3.051 1.00 0.00 H new ATOM 362 N HIS A 26 -3.011 -8.076 3.620 1.00 0.00 N ATOM 363 CA HIS A 26 -3.392 -8.905 4.752 1.00 0.00 C ATOM 364 C HIS A 26 -4.455 -9.923 4.324 1.00 0.00 C ATOM 365 O HIS A 26 -4.263 -11.117 4.539 1.00 0.00 O ATOM 366 CB HIS A 26 -3.905 -8.025 5.890 1.00 0.00 C ATOM 367 CG HIS A 26 -4.256 -8.816 7.120 1.00 0.00 C ATOM 368 ND1 HIS A 26 -3.409 -9.126 8.146 1.00 0.00 N ATOM 369 CD2 HIS A 26 -5.466 -9.413 7.383 1.00 0.00 C ATOM 370 CE1 HIS A 26 -4.094 -9.869 9.031 1.00 0.00 C ATOM 371 NE2 HIS A 26 -5.343 -10.067 8.612 1.00 0.00 N ATOM 0 H HIS A 26 -3.456 -7.158 3.640 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.520 -9.453 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.146 -7.285 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.784 -7.477 5.552 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.432 -8.844 8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.346 -9.382 6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.688 -10.253 9.955 1.00 0.00 H new ATOM 378 N TYR A 27 -5.529 -9.447 3.684 1.00 0.00 N ATOM 379 CA TYR A 27 -6.596 -10.283 3.127 1.00 0.00 C ATOM 380 C TYR A 27 -6.007 -11.394 2.273 1.00 0.00 C ATOM 381 O TYR A 27 -6.351 -12.547 2.480 1.00 0.00 O ATOM 382 CB TYR A 27 -7.584 -9.442 2.303 1.00 0.00 C ATOM 383 CG TYR A 27 -9.041 -9.758 2.590 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.684 -9.092 3.652 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.752 -10.688 1.803 1.00 0.00 C ATOM 386 CE1 TYR A 27 -11.038 -9.337 3.924 1.00 0.00 C ATOM 387 CE2 TYR A 27 -11.110 -10.942 2.073 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.759 -10.268 3.132 1.00 0.00 C ATOM 389 OH TYR A 27 -13.070 -10.508 3.407 1.00 0.00 O ATOM 0 H TYR A 27 -5.683 -8.450 3.536 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.143 -10.730 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.404 -8.386 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.388 -9.603 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.132 -8.390 4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.255 -11.204 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.530 -8.819 4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.656 -11.652 1.470 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.421 -11.169 2.774 1.00 0.00 H new ATOM 399 N ILE A 28 -5.086 -11.072 1.355 1.00 0.00 N ATOM 400 CA ILE A 28 -4.431 -12.073 0.502 1.00 0.00 C ATOM 401 C ILE A 28 -3.677 -13.121 1.328 1.00 0.00 C ATOM 402 O ILE A 28 -3.843 -14.311 1.084 1.00 0.00 O ATOM 403 CB ILE A 28 -3.547 -11.367 -0.557 1.00 0.00 C ATOM 404 CG1 ILE A 28 -3.865 -11.885 -1.978 1.00 0.00 C ATOM 405 CG2 ILE A 28 -2.032 -11.454 -0.319 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.697 -10.777 -3.026 1.00 0.00 C ATOM 0 H ILE A 28 -4.775 -10.116 1.183 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.194 -12.634 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.808 -10.314 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.206 -12.719 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.886 -12.266 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.508 -10.928 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.787 -10.996 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.724 -12.500 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.928 -11.173 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.375 -9.954 -2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.669 -10.415 -3.011 1.00 0.00 H new ATOM 417 N ASN A 29 -2.900 -12.684 2.318 1.00 0.00 N ATOM 418 CA ASN A 29 -2.150 -13.546 3.235 1.00 0.00 C ATOM 419 C ASN A 29 -3.106 -14.502 3.971 1.00 0.00 C ATOM 420 O ASN A 29 -2.884 -15.717 4.017 1.00 0.00 O ATOM 421 CB ASN A 29 -1.338 -12.675 4.216 1.00 0.00 C ATOM 422 CG ASN A 29 0.171 -12.881 4.127 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.665 -13.963 3.855 1.00 0.00 O ATOM 424 ND2 ASN A 29 0.949 -11.854 4.384 1.00 0.00 N ATOM 0 H ASN A 29 -2.770 -11.691 2.511 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.449 -14.161 2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.563 -11.626 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.664 -12.891 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.963 -11.963 4.356 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.539 -10.948 4.612 1.00 0.00 H new ATOM 431 N LEU A 30 -4.211 -13.952 4.487 1.00 0.00 N ATOM 432 CA LEU A 30 -5.285 -14.692 5.133 1.00 0.00 C ATOM 433 C LEU A 30 -6.037 -15.629 4.164 1.00 0.00 C ATOM 434 O LEU A 30 -6.367 -16.743 4.545 1.00 0.00 O ATOM 435 CB LEU A 30 -6.274 -13.715 5.793 1.00 0.00 C ATOM 436 CG LEU A 30 -6.160 -13.694 7.327 1.00 0.00 C ATOM 437 CD1 LEU A 30 -7.169 -12.696 7.903 1.00 0.00 C ATOM 438 CD2 LEU A 30 -6.405 -15.083 7.936 1.00 0.00 C ATOM 0 H LEU A 30 -4.382 -12.947 4.462 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.823 -15.324 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.098 -12.711 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.291 -13.990 5.513 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.145 -13.391 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.087 -12.682 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.961 -11.701 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.178 -12.994 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.316 -15.026 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.406 -15.425 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.668 -15.786 7.548 1.00 0.00 H new ATOM 450 N ILE A 31 -6.267 -15.211 2.919 1.00 0.00 N ATOM 451 CA ILE A 31 -6.834 -16.055 1.870 1.00 0.00 C ATOM 452 C ILE A 31 -5.920 -17.248 1.616 1.00 0.00 C ATOM 453 O ILE A 31 -6.395 -18.387 1.599 1.00 0.00 O ATOM 454 CB ILE A 31 -7.109 -15.241 0.582 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.412 -14.418 0.686 1.00 0.00 C ATOM 456 CG2 ILE A 31 -7.138 -16.118 -0.693 1.00 0.00 C ATOM 457 CD1 ILE A 31 -9.669 -15.235 1.004 1.00 0.00 C ATOM 0 H ILE A 31 -6.061 -14.262 2.608 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.799 -16.437 2.204 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.268 -14.554 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.285 -13.660 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.568 -13.891 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.335 -15.490 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.175 -16.615 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.924 -16.868 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.531 -14.570 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.829 -15.976 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.542 -15.741 1.961 1.00 0.00 H new ATOM 468 N THR A 32 -4.605 -17.017 1.489 1.00 0.00 N ATOM 469 CA THR A 32 -3.650 -18.117 1.350 1.00 0.00 C ATOM 470 C THR A 32 -3.644 -19.088 2.538 1.00 0.00 C ATOM 471 O THR A 32 -3.236 -20.241 2.399 1.00 0.00 O ATOM 472 CB THR A 32 -2.217 -17.643 1.074 1.00 0.00 C ATOM 473 OG1 THR A 32 -1.868 -16.443 1.730 1.00 0.00 O ATOM 474 CG2 THR A 32 -1.992 -17.387 -0.414 1.00 0.00 C ATOM 0 H THR A 32 -4.186 -16.087 1.480 1.00 0.00 H new ATOM 0 HA THR A 32 -4.011 -18.659 0.476 1.00 0.00 H new ATOM 0 HB THR A 32 -1.598 -18.456 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.101 -16.510 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.967 -17.053 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.165 -18.307 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.683 -16.618 -0.759 1.00 0.00 H new ATOM 482 N ARG A 33 -4.188 -18.679 3.686 1.00 0.00 N ATOM 483 CA ARG A 33 -4.414 -19.538 4.851 1.00 0.00 C ATOM 484 C ARG A 33 -5.549 -20.560 4.675 1.00 0.00 C ATOM 485 O ARG A 33 -5.774 -21.378 5.565 1.00 0.00 O ATOM 486 CB ARG A 33 -4.655 -18.657 6.083 1.00 0.00 C ATOM 487 CG ARG A 33 -4.174 -19.323 7.378 1.00 0.00 C ATOM 488 CD ARG A 33 -4.928 -18.764 8.589 1.00 0.00 C ATOM 489 NE ARG A 33 -5.046 -19.782 9.645 1.00 0.00 N ATOM 490 CZ ARG A 33 -5.939 -20.767 9.675 1.00 0.00 C ATOM 491 NH1 ARG A 33 -6.836 -20.932 8.727 1.00 0.00 N ATOM 492 NH2 ARG A 33 -5.933 -21.629 10.664 1.00 0.00 N ATOM 0 H ARG A 33 -4.491 -17.717 3.835 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.515 -20.140 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.139 -17.706 5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.719 -18.434 6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.325 -20.401 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.104 -19.157 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.405 -17.890 8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.921 -18.433 8.284 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.386 -19.727 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.863 -20.292 7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.505 -21.700 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.243 -21.544 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.618 -22.384 10.686 1.00 0.00 H new ATOM 506 N GLN A 34 -6.259 -20.519 3.543 1.00 0.00 N ATOM 507 CA GLN A 34 -7.365 -21.402 3.155 1.00 0.00 C ATOM 508 C GLN A 34 -7.414 -21.672 1.637 1.00 0.00 C ATOM 509 O GLN A 34 -8.405 -22.226 1.137 1.00 0.00 O ATOM 510 CB GLN A 34 -8.700 -20.823 3.689 1.00 0.00 C ATOM 511 CG GLN A 34 -8.991 -21.261 5.145 1.00 0.00 C ATOM 512 CD GLN A 34 -10.311 -22.004 5.364 1.00 0.00 C ATOM 513 OE1 GLN A 34 -11.235 -22.031 4.555 1.00 0.00 O ATOM 514 NE2 GLN A 34 -10.446 -22.681 6.490 1.00 0.00 N ATOM 0 H GLN A 34 -6.064 -19.821 2.825 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.195 -22.377 3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.667 -19.735 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.517 -21.147 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.175 -21.900 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.985 -20.375 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.695 -22.677 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.301 -23.208 6.669 1.00 0.00 H new ATOM 523 N ARG A 35 -6.369 -21.304 0.876 1.00 0.00 N ATOM 524 CA ARG A 35 -6.304 -21.477 -0.581 1.00 0.00 C ATOM 525 C ARG A 35 -4.879 -21.298 -1.098 1.00 0.00 C ATOM 526 O ARG A 35 -4.048 -20.695 -0.445 1.00 0.00 O ATOM 527 CB ARG A 35 -7.244 -20.448 -1.238 1.00 0.00 C ATOM 528 CG ARG A 35 -8.159 -21.098 -2.294 1.00 0.00 C ATOM 529 CD ARG A 35 -7.449 -21.281 -3.648 1.00 0.00 C ATOM 530 NE ARG A 35 -8.279 -20.807 -4.762 1.00 0.00 N ATOM 531 CZ ARG A 35 -8.475 -19.539 -5.108 1.00 0.00 C ATOM 532 NH1 ARG A 35 -7.876 -18.545 -4.492 1.00 0.00 N ATOM 533 NH2 ARG A 35 -9.302 -19.266 -6.092 1.00 0.00 N ATOM 0 H ARG A 35 -5.532 -20.870 1.266 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.617 -22.490 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.855 -19.973 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.652 -19.662 -1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.499 -22.068 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.047 -20.481 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.504 -20.737 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.210 -22.334 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.749 -21.517 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.236 -18.735 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.051 -17.584 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.783 -20.022 -6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.463 -18.298 -6.369 1.00 0.00 H new ATOM 547 N TYR A 36 -4.611 -21.818 -2.295 1.00 0.00 N ATOM 548 CA TYR A 36 -3.283 -21.857 -2.924 1.00 0.00 C ATOM 549 C TYR A 36 -3.406 -22.474 -4.335 1.00 0.00 C ATOM 550 O TYR A 36 -2.810 -22.014 -5.298 1.00 0.00 O ATOM 551 CB TYR A 36 -2.300 -22.643 -2.023 1.00 0.00 C ATOM 552 CG TYR A 36 -2.918 -23.774 -1.208 1.00 0.00 C ATOM 553 CD1 TYR A 36 -3.286 -24.973 -1.844 1.00 0.00 C ATOM 554 CD2 TYR A 36 -3.204 -23.598 0.166 1.00 0.00 C ATOM 555 CE1 TYR A 36 -3.975 -25.974 -1.131 1.00 0.00 C ATOM 556 CE2 TYR A 36 -3.881 -24.601 0.889 1.00 0.00 C ATOM 557 CZ TYR A 36 -4.264 -25.791 0.239 1.00 0.00 C ATOM 558 OH TYR A 36 -4.885 -26.797 0.917 1.00 0.00 O ATOM 0 H TYR A 36 -5.335 -22.239 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.885 -20.849 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.512 -23.059 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.824 -21.942 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.039 -25.127 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.902 -22.689 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.282 -26.880 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.105 -24.458 1.936 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.018 -26.529 1.850 1.00 0.00 H new HETATM 568 N NH2 A 37 -4.246 -23.484 -4.519 1.00 0.00 N TER 571 NH2 A 37