USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 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+ -145:sc= -0.27 (180deg=-1.91!) 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= -0.0441 X(o=-0.044,f=-0.05) USER MOD Single : A 19 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.42) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-0.81) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.0619 X(o=0.062,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -15.957 16.410 -11.123 1.00 0.00 N ATOM 2 CA TYR A 1 -16.734 16.923 -9.975 1.00 0.00 C ATOM 3 C TYR A 1 -16.392 16.204 -8.661 1.00 0.00 C ATOM 4 O TYR A 1 -15.965 16.888 -7.738 1.00 0.00 O ATOM 5 CB TYR A 1 -18.252 16.904 -10.231 1.00 0.00 C ATOM 6 CG TYR A 1 -18.874 18.278 -10.348 1.00 0.00 C ATOM 7 CD1 TYR A 1 -18.650 19.054 -11.497 1.00 0.00 C ATOM 8 CD2 TYR A 1 -19.697 18.770 -9.307 1.00 0.00 C ATOM 9 CE1 TYR A 1 -19.240 20.325 -11.613 1.00 0.00 C ATOM 10 CE2 TYR A 1 -20.287 20.044 -9.423 1.00 0.00 C ATOM 11 CZ TYR A 1 -20.052 20.825 -10.580 1.00 0.00 C ATOM 12 OH TYR A 1 -20.577 22.074 -10.687 1.00 0.00 O ATOM 0 H1 TYR A 1 -15.742 17.192 -11.774 1.00 0.00 H new ATOM 0 H2 TYR A 1 -15.069 15.990 -10.781 1.00 0.00 H new ATOM 0 H3 TYR A 1 -16.513 15.687 -11.623 1.00 0.00 H new ATOM 0 HA TYR A 1 -16.435 17.965 -9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -18.448 16.348 -11.148 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -18.740 16.363 -9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -18.025 18.674 -12.291 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -19.872 18.170 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -19.069 20.919 -12.499 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -20.917 20.424 -8.632 1.00 0.00 H new ATOM 0 HH TYR A 1 -21.115 22.272 -9.892 1.00 0.00 H new ATOM 24 N PRO A 2 -16.581 14.870 -8.542 1.00 0.00 N ATOM 25 CA PRO A 2 -16.326 14.157 -7.296 1.00 0.00 C ATOM 26 C PRO A 2 -14.826 14.029 -7.011 1.00 0.00 C ATOM 27 O PRO A 2 -14.365 14.433 -5.947 1.00 0.00 O ATOM 28 CB PRO A 2 -17.013 12.793 -7.436 1.00 0.00 C ATOM 29 CG PRO A 2 -17.200 12.575 -8.935 1.00 0.00 C ATOM 30 CD PRO A 2 -17.040 13.950 -9.584 1.00 0.00 C ATOM 0 HA PRO A 2 -16.727 14.702 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.404 12.002 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -17.971 12.782 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.462 11.873 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.183 12.155 -9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.322 13.908 -10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.986 14.288 -10.006 1.00 0.00 H new ATOM 38 N SER A 3 -14.081 13.472 -7.969 1.00 0.00 N ATOM 39 CA SER A 3 -12.624 13.329 -7.978 1.00 0.00 C ATOM 40 C SER A 3 -12.162 12.892 -9.376 1.00 0.00 C ATOM 41 O SER A 3 -12.989 12.467 -10.182 1.00 0.00 O ATOM 42 CB SER A 3 -12.194 12.291 -6.923 1.00 0.00 C ATOM 43 OG SER A 3 -12.742 11.018 -7.213 1.00 0.00 O ATOM 0 H SER A 3 -14.506 13.085 -8.811 1.00 0.00 H new ATOM 0 HA SER A 3 -12.162 14.286 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.106 12.225 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.520 12.615 -5.935 1.00 0.00 H new ATOM 0 HG SER A 3 -12.454 10.375 -6.532 1.00 0.00 H new ATOM 49 N LYS A 4 -10.853 12.966 -9.630 1.00 0.00 N ATOM 50 CA LYS A 4 -10.197 12.432 -10.834 1.00 0.00 C ATOM 51 C LYS A 4 -8.826 11.831 -10.451 1.00 0.00 C ATOM 52 O LYS A 4 -7.789 12.397 -10.796 1.00 0.00 O ATOM 53 CB LYS A 4 -10.146 13.541 -11.916 1.00 0.00 C ATOM 54 CG LYS A 4 -11.212 13.370 -13.016 1.00 0.00 C ATOM 55 CD LYS A 4 -10.634 12.756 -14.303 1.00 0.00 C ATOM 56 CE LYS A 4 -10.258 11.278 -14.120 1.00 0.00 C ATOM 57 NZ LYS A 4 -9.310 10.813 -15.167 1.00 0.00 N ATOM 0 H LYS A 4 -10.198 13.411 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.763 11.610 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.280 14.511 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.158 13.545 -12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.016 12.735 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.652 14.340 -13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.364 12.847 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.752 13.319 -14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.810 11.136 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.160 10.667 -14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.081 9.811 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.746 10.924 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.438 11.378 -15.122 1.00 0.00 H new ATOM 71 N PRO A 5 -8.801 10.704 -9.711 1.00 0.00 N ATOM 72 CA PRO A 5 -7.557 10.023 -9.375 1.00 0.00 C ATOM 73 C PRO A 5 -6.968 9.335 -10.616 1.00 0.00 C ATOM 74 O PRO A 5 -7.703 8.799 -11.445 1.00 0.00 O ATOM 75 CB PRO A 5 -7.916 9.034 -8.260 1.00 0.00 C ATOM 76 CG PRO A 5 -9.420 8.787 -8.403 1.00 0.00 C ATOM 77 CD PRO A 5 -9.951 9.942 -9.250 1.00 0.00 C ATOM 0 HA PRO A 5 -6.783 10.710 -9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.354 8.106 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.677 9.445 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.615 7.828 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.907 8.761 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.527 9.566 -10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.620 10.572 -8.664 1.00 0.00 H new ATOM 85 N ASP A 6 -5.636 9.342 -10.716 1.00 0.00 N ATOM 86 CA ASP A 6 -4.857 8.746 -11.820 1.00 0.00 C ATOM 87 C ASP A 6 -3.932 7.640 -11.307 1.00 0.00 C ATOM 88 O ASP A 6 -3.974 6.511 -11.796 1.00 0.00 O ATOM 89 CB ASP A 6 -4.019 9.830 -12.536 1.00 0.00 C ATOM 90 CG ASP A 6 -4.651 10.292 -13.846 1.00 0.00 C ATOM 91 OD1 ASP A 6 -4.805 9.432 -14.748 1.00 0.00 O ATOM 92 OD2 ASP A 6 -4.956 11.501 -13.950 1.00 0.00 O ATOM 0 H ASP A 6 -5.044 9.777 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.563 8.310 -12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.898 10.687 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.021 9.439 -12.736 1.00 0.00 H new ATOM 97 N ASN A 7 -3.094 7.977 -10.319 1.00 0.00 N ATOM 98 CA ASN A 7 -2.177 7.067 -9.646 1.00 0.00 C ATOM 99 C ASN A 7 -2.596 6.881 -8.170 1.00 0.00 C ATOM 100 O ASN A 7 -3.210 7.781 -7.598 1.00 0.00 O ATOM 101 CB ASN A 7 -0.733 7.584 -9.787 1.00 0.00 C ATOM 102 CG ASN A 7 -0.545 9.053 -9.419 1.00 0.00 C ATOM 103 OD1 ASN A 7 -0.622 9.454 -8.273 1.00 0.00 O ATOM 104 ND2 ASN A 7 -0.260 9.901 -10.396 1.00 0.00 N ATOM 0 H ASN A 7 -3.039 8.929 -9.957 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.220 6.084 -10.116 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.081 6.979 -9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.407 7.436 -10.817 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.106 10.887 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.195 9.568 -11.358 1.00 0.00 H new ATOM 111 N PRO A 8 -2.267 5.729 -7.560 1.00 0.00 N ATOM 112 CA PRO A 8 -2.495 5.508 -6.142 1.00 0.00 C ATOM 113 C PRO A 8 -1.473 6.268 -5.286 1.00 0.00 C ATOM 114 O PRO A 8 -0.358 6.557 -5.727 1.00 0.00 O ATOM 115 CB PRO A 8 -2.373 3.993 -5.938 1.00 0.00 C ATOM 116 CG PRO A 8 -1.502 3.501 -7.101 1.00 0.00 C ATOM 117 CD PRO A 8 -1.592 4.590 -8.161 1.00 0.00 C ATOM 0 HA PRO A 8 -3.473 5.877 -5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.915 3.760 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.352 3.514 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.471 3.347 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.862 2.547 -7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.597 4.872 -8.506 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.143 4.233 -9.032 1.00 0.00 H new ATOM 125 N GLY A 9 -1.843 6.523 -4.024 1.00 0.00 N ATOM 126 CA GLY A 9 -0.979 7.147 -3.024 1.00 0.00 C ATOM 127 C GLY A 9 -1.800 8.013 -2.084 1.00 0.00 C ATOM 128 O GLY A 9 -1.961 7.636 -0.935 1.00 0.00 O ATOM 0 H GLY A 9 -2.771 6.295 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.454 6.378 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.219 7.753 -3.517 1.00 0.00 H new ATOM 132 N GLU A 10 -2.334 9.111 -2.649 1.00 0.00 N ATOM 133 CA GLU A 10 -3.189 10.113 -2.014 1.00 0.00 C ATOM 134 C GLU A 10 -2.502 10.806 -0.827 1.00 0.00 C ATOM 135 O GLU A 10 -2.395 10.228 0.248 1.00 0.00 O ATOM 136 CB GLU A 10 -4.552 9.516 -1.608 1.00 0.00 C ATOM 137 CG GLU A 10 -5.601 9.565 -2.728 1.00 0.00 C ATOM 138 CD GLU A 10 -5.228 8.781 -3.989 1.00 0.00 C ATOM 139 OE1 GLU A 10 -4.642 7.676 -3.867 1.00 0.00 O ATOM 140 OE2 GLU A 10 -5.564 9.299 -5.077 1.00 0.00 O ATOM 0 H GLU A 10 -2.163 9.331 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.373 10.885 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.409 8.480 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.932 10.056 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.544 9.178 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.772 10.606 -3.001 1.00 0.00 H new ATOM 147 N ASP A 11 -2.064 12.058 -1.038 1.00 0.00 N ATOM 148 CA ASP A 11 -1.273 12.848 -0.084 1.00 0.00 C ATOM 149 C ASP A 11 0.019 12.124 0.320 1.00 0.00 C ATOM 150 O ASP A 11 0.022 11.358 1.265 1.00 0.00 O ATOM 151 CB ASP A 11 -2.122 13.246 1.150 1.00 0.00 C ATOM 152 CG ASP A 11 -1.393 14.269 2.029 1.00 0.00 C ATOM 153 OD1 ASP A 11 -0.824 15.221 1.435 1.00 0.00 O ATOM 154 OD2 ASP A 11 -1.427 14.120 3.273 1.00 0.00 O ATOM 0 H ASP A 11 -2.257 12.562 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.974 13.768 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.074 13.662 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.350 12.357 1.738 1.00 0.00 H new ATOM 159 N ALA A 12 1.124 12.368 -0.404 1.00 0.00 N ATOM 160 CA ALA A 12 2.400 11.643 -0.276 1.00 0.00 C ATOM 161 C ALA A 12 2.308 10.125 -0.604 1.00 0.00 C ATOM 162 O ALA A 12 1.229 9.535 -0.678 1.00 0.00 O ATOM 163 CB ALA A 12 3.019 11.954 1.107 1.00 0.00 C ATOM 0 H ALA A 12 1.155 13.097 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 12 3.079 12.008 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.964 11.421 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.195 13.026 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.334 11.634 1.892 1.00 0.00 H new ATOM 169 N PRO A 13 3.444 9.466 -0.925 1.00 0.00 N ATOM 170 CA PRO A 13 3.463 8.038 -1.223 1.00 0.00 C ATOM 171 C PRO A 13 3.401 7.214 0.059 1.00 0.00 C ATOM 172 O PRO A 13 4.362 7.193 0.830 1.00 0.00 O ATOM 173 CB PRO A 13 4.753 7.789 -2.007 1.00 0.00 C ATOM 174 CG PRO A 13 5.688 8.928 -1.602 1.00 0.00 C ATOM 175 CD PRO A 13 4.784 10.026 -1.035 1.00 0.00 C ATOM 0 HA PRO A 13 2.595 7.735 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.184 6.818 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.569 7.793 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.412 8.594 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.255 9.292 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.144 10.356 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.784 10.899 -1.687 1.00 0.00 H new ATOM 183 N ALA A 14 2.278 6.506 0.245 1.00 0.00 N ATOM 184 CA ALA A 14 1.994 5.600 1.370 1.00 0.00 C ATOM 185 C ALA A 14 1.655 6.339 2.672 1.00 0.00 C ATOM 186 O ALA A 14 2.139 5.962 3.739 1.00 0.00 O ATOM 187 CB ALA A 14 3.110 4.544 1.510 1.00 0.00 C ATOM 0 H ALA A 14 1.504 6.551 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 14 1.078 5.057 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.883 3.883 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.174 3.959 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.062 5.043 1.690 1.00 0.00 H new ATOM 193 N GLU A 15 0.761 7.338 2.598 1.00 0.00 N ATOM 194 CA GLU A 15 0.373 8.174 3.759 1.00 0.00 C ATOM 195 C GLU A 15 -1.119 8.087 4.148 1.00 0.00 C ATOM 196 O GLU A 15 -1.508 8.515 5.233 1.00 0.00 O ATOM 197 CB GLU A 15 0.817 9.624 3.493 1.00 0.00 C ATOM 198 CG GLU A 15 1.734 10.242 4.561 1.00 0.00 C ATOM 199 CD GLU A 15 3.196 10.385 4.110 1.00 0.00 C ATOM 200 OE1 GLU A 15 3.756 9.395 3.576 1.00 0.00 O ATOM 201 OE2 GLU A 15 3.755 11.492 4.292 1.00 0.00 O ATOM 0 H GLU A 15 0.283 7.594 1.734 1.00 0.00 H new ATOM 0 HA GLU A 15 0.889 7.775 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.332 9.657 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.073 10.247 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.349 11.225 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.698 9.625 5.459 1.00 0.00 H new ATOM 208 N ASP A 16 -1.912 7.437 3.294 1.00 0.00 N ATOM 209 CA ASP A 16 -3.357 7.174 3.429 1.00 0.00 C ATOM 210 C ASP A 16 -3.654 5.756 2.924 1.00 0.00 C ATOM 211 O ASP A 16 -4.017 4.866 3.702 1.00 0.00 O ATOM 212 CB ASP A 16 -4.188 8.215 2.632 1.00 0.00 C ATOM 213 CG ASP A 16 -4.869 9.314 3.462 1.00 0.00 C ATOM 214 OD1 ASP A 16 -4.761 9.279 4.714 1.00 0.00 O ATOM 215 OD2 ASP A 16 -5.577 10.142 2.842 1.00 0.00 O ATOM 0 H ASP A 16 -1.541 7.051 2.426 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.639 7.259 4.479 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.533 8.692 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.956 7.683 2.070 1.00 0.00 H new ATOM 220 N LEU A 17 -3.416 5.512 1.623 1.00 0.00 N ATOM 221 CA LEU A 17 -3.582 4.195 0.998 1.00 0.00 C ATOM 222 C LEU A 17 -2.705 3.121 1.653 1.00 0.00 C ATOM 223 O LEU A 17 -3.015 1.939 1.545 1.00 0.00 O ATOM 224 CB LEU A 17 -3.395 4.317 -0.534 1.00 0.00 C ATOM 225 CG LEU A 17 -2.268 3.538 -1.261 1.00 0.00 C ATOM 226 CD1 LEU A 17 -0.868 3.785 -0.669 1.00 0.00 C ATOM 227 CD2 LEU A 17 -2.573 2.040 -1.370 1.00 0.00 C ATOM 0 H LEU A 17 -3.100 6.232 0.973 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.600 3.846 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.337 4.023 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.248 5.374 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.247 3.945 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.130 3.208 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.626 4.846 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.855 3.476 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.754 1.539 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.685 1.618 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.497 1.897 -1.930 1.00 0.00 H new ATOM 239 N ALA A 18 -1.663 3.505 2.408 1.00 0.00 N ATOM 240 CA ALA A 18 -0.815 2.587 3.165 1.00 0.00 C ATOM 241 C ALA A 18 -1.636 1.595 3.999 1.00 0.00 C ATOM 242 O ALA A 18 -1.223 0.446 4.133 1.00 0.00 O ATOM 243 CB ALA A 18 0.153 3.392 4.035 1.00 0.00 C ATOM 0 H ALA A 18 -1.386 4.482 2.507 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.242 1.985 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.787 2.710 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.775 4.022 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.413 4.018 4.725 1.00 0.00 H new ATOM 249 N GLN A 19 -2.811 2.016 4.480 1.00 0.00 N ATOM 250 CA GLN A 19 -3.760 1.165 5.189 1.00 0.00 C ATOM 251 C GLN A 19 -4.564 0.244 4.255 1.00 0.00 C ATOM 252 O GLN A 19 -4.742 -0.927 4.571 1.00 0.00 O ATOM 253 CB GLN A 19 -4.681 2.073 6.016 1.00 0.00 C ATOM 254 CG GLN A 19 -5.159 1.399 7.318 1.00 0.00 C ATOM 255 CD GLN A 19 -5.104 2.327 8.534 1.00 0.00 C ATOM 256 OE1 GLN A 19 -5.153 3.544 8.452 1.00 0.00 O ATOM 257 NE2 GLN A 19 -5.000 1.779 9.732 1.00 0.00 N ATOM 0 H GLN A 19 -3.131 2.980 4.383 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.206 0.489 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.153 2.995 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.547 2.351 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.182 1.048 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.544 0.520 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.957 0.764 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.962 2.371 10.562 1.00 0.00 H new ATOM 266 N TYR A 20 -5.004 0.743 3.094 1.00 0.00 N ATOM 267 CA TYR A 20 -5.687 -0.015 2.035 1.00 0.00 C ATOM 268 C TYR A 20 -4.805 -1.124 1.472 1.00 0.00 C ATOM 269 O TYR A 20 -5.195 -2.291 1.477 1.00 0.00 O ATOM 270 CB TYR A 20 -6.103 0.935 0.903 1.00 0.00 C ATOM 271 CG TYR A 20 -6.663 0.262 -0.340 1.00 0.00 C ATOM 272 CD1 TYR A 20 -5.791 -0.162 -1.369 1.00 0.00 C ATOM 273 CD2 TYR A 20 -8.049 0.070 -0.491 1.00 0.00 C ATOM 274 CE1 TYR A 20 -6.295 -0.748 -2.545 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.565 -0.516 -1.662 1.00 0.00 C ATOM 276 CZ TYR A 20 -7.687 -0.911 -2.699 1.00 0.00 C ATOM 277 OH TYR A 20 -8.175 -1.434 -3.852 1.00 0.00 O ATOM 0 H TYR A 20 -4.890 1.728 2.855 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.569 -0.480 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.851 1.627 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.237 1.530 0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.725 -0.035 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.721 0.375 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.620 -1.071 -3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.629 -0.664 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.152 -1.482 -3.801 1.00 0.00 H new ATOM 287 N ALA A 21 -3.609 -0.764 0.981 1.00 0.00 N ATOM 288 CA ALA A 21 -2.674 -1.743 0.421 1.00 0.00 C ATOM 289 C ALA A 21 -2.348 -2.816 1.466 1.00 0.00 C ATOM 290 O ALA A 21 -2.233 -3.979 1.087 1.00 0.00 O ATOM 291 CB ALA A 21 -1.396 -1.067 -0.085 1.00 0.00 C ATOM 0 H ALA A 21 -3.270 0.198 0.962 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.151 -2.221 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.723 -1.821 -0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.649 -0.346 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.905 -0.553 0.741 1.00 0.00 H new ATOM 297 N ALA A 22 -2.267 -2.434 2.743 1.00 0.00 N ATOM 298 CA ALA A 22 -2.081 -3.332 3.879 1.00 0.00 C ATOM 299 C ALA A 22 -3.300 -4.222 4.104 1.00 0.00 C ATOM 300 O ALA A 22 -3.122 -5.431 4.171 1.00 0.00 O ATOM 301 CB ALA A 22 -1.757 -2.537 5.145 1.00 0.00 C ATOM 0 H ALA A 22 -2.332 -1.455 3.021 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.238 -3.983 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.622 -3.223 5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.841 -1.967 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.577 -1.854 5.365 1.00 0.00 H new ATOM 307 N ASP A 23 -4.515 -3.666 4.185 1.00 0.00 N ATOM 308 CA ASP A 23 -5.761 -4.436 4.285 1.00 0.00 C ATOM 309 C ASP A 23 -5.814 -5.500 3.188 1.00 0.00 C ATOM 310 O ASP A 23 -6.088 -6.667 3.476 1.00 0.00 O ATOM 311 CB ASP A 23 -6.992 -3.506 4.177 1.00 0.00 C ATOM 312 CG ASP A 23 -7.679 -3.184 5.511 1.00 0.00 C ATOM 313 OD1 ASP A 23 -7.491 -3.954 6.478 1.00 0.00 O ATOM 314 OD2 ASP A 23 -8.405 -2.163 5.527 1.00 0.00 O ATOM 0 H ASP A 23 -4.662 -2.657 4.183 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.782 -4.925 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.683 -2.571 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.721 -3.969 3.512 1.00 0.00 H new ATOM 319 N LEU A 24 -5.494 -5.110 1.950 1.00 0.00 N ATOM 320 CA LEU A 24 -5.485 -6.038 0.826 1.00 0.00 C ATOM 321 C LEU A 24 -4.360 -7.075 0.968 1.00 0.00 C ATOM 322 O LEU A 24 -4.635 -8.270 0.871 1.00 0.00 O ATOM 323 CB LEU A 24 -5.441 -5.280 -0.512 1.00 0.00 C ATOM 324 CG LEU A 24 -6.659 -4.364 -0.825 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.926 -4.314 -2.342 1.00 0.00 C ATOM 326 CD2 LEU A 24 -7.969 -4.740 -0.105 1.00 0.00 C ATOM 0 H LEU A 24 -5.238 -4.154 1.705 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.419 -6.600 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.539 -4.668 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.346 -6.010 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.366 -3.388 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.782 -3.668 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.048 -3.920 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.138 -5.319 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.755 -4.041 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.262 -5.751 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.817 -4.694 0.973 1.00 0.00 H new ATOM 338 N ARG A 25 -3.128 -6.648 1.288 1.00 0.00 N ATOM 339 CA ARG A 25 -1.975 -7.524 1.571 1.00 0.00 C ATOM 340 C ARG A 25 -2.227 -8.516 2.706 1.00 0.00 C ATOM 341 O ARG A 25 -1.695 -9.625 2.656 1.00 0.00 O ATOM 342 CB ARG A 25 -0.740 -6.671 1.924 1.00 0.00 C ATOM 343 CG ARG A 25 0.307 -6.621 0.802 1.00 0.00 C ATOM 344 CD ARG A 25 1.529 -7.498 1.126 1.00 0.00 C ATOM 345 NE ARG A 25 1.726 -8.589 0.154 1.00 0.00 N ATOM 346 CZ ARG A 25 2.845 -9.282 -0.015 1.00 0.00 C ATOM 347 NH1 ARG A 25 3.920 -9.042 0.701 1.00 0.00 N ATOM 348 NH2 ARG A 25 2.911 -10.230 -0.924 1.00 0.00 N ATOM 0 H ARG A 25 -2.898 -5.657 1.360 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.806 -8.103 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.063 -5.656 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.277 -7.071 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.144 -6.956 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.628 -5.591 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.422 -6.874 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.411 -7.923 2.123 1.00 0.00 H new ATOM 0 HE ARG A 25 0.933 -8.832 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.908 -8.307 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.767 -9.591 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.099 -10.437 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.775 -10.758 -1.048 1.00 0.00 H new ATOM 362 N HIS A 26 -2.991 -8.106 3.725 1.00 0.00 N ATOM 363 CA HIS A 26 -3.371 -8.899 4.881 1.00 0.00 C ATOM 364 C HIS A 26 -4.437 -9.919 4.497 1.00 0.00 C ATOM 365 O HIS A 26 -4.222 -11.112 4.721 1.00 0.00 O ATOM 366 CB HIS A 26 -3.866 -7.975 6.009 1.00 0.00 C ATOM 367 CG HIS A 26 -3.865 -8.646 7.347 1.00 0.00 C ATOM 368 ND1 HIS A 26 -2.757 -8.824 8.144 1.00 0.00 N ATOM 369 CD2 HIS A 26 -4.947 -9.166 8.011 1.00 0.00 C ATOM 370 CE1 HIS A 26 -3.161 -9.436 9.268 1.00 0.00 C ATOM 371 NE2 HIS A 26 -4.486 -9.649 9.239 1.00 0.00 N ATOM 0 H HIS A 26 -3.376 -7.162 3.759 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.500 -9.446 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.233 -7.089 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.876 -7.635 5.778 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.965 -9.196 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.510 -9.718 10.083 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.048 -10.081 9.972 1.00 0.00 H new ATOM 378 N TYR A 27 -5.535 -9.459 3.874 1.00 0.00 N ATOM 379 CA TYR A 27 -6.562 -10.318 3.290 1.00 0.00 C ATOM 380 C TYR A 27 -5.908 -11.395 2.420 1.00 0.00 C ATOM 381 O TYR A 27 -6.007 -12.559 2.781 1.00 0.00 O ATOM 382 CB TYR A 27 -7.602 -9.512 2.489 1.00 0.00 C ATOM 383 CG TYR A 27 -8.961 -9.411 3.153 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.842 -10.508 3.085 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.353 -8.228 3.805 1.00 0.00 C ATOM 386 CE1 TYR A 27 -11.125 -10.419 3.656 1.00 0.00 C ATOM 387 CE2 TYR A 27 -10.636 -8.135 4.387 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.527 -9.228 4.306 1.00 0.00 C ATOM 389 OH TYR A 27 -12.783 -9.125 4.822 1.00 0.00 O ATOM 0 H TYR A 27 -5.731 -8.464 3.764 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.101 -10.801 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.216 -8.506 2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.723 -9.972 1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.532 -11.419 2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.673 -7.391 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.802 -11.258 3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.936 -7.229 4.893 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.896 -8.243 5.235 1.00 0.00 H new ATOM 399 N ILE A 28 -5.202 -11.022 1.347 1.00 0.00 N ATOM 400 CA ILE A 28 -4.574 -11.956 0.394 1.00 0.00 C ATOM 401 C ILE A 28 -3.739 -13.034 1.110 1.00 0.00 C ATOM 402 O ILE A 28 -3.852 -14.218 0.789 1.00 0.00 O ATOM 403 CB ILE A 28 -3.799 -11.159 -0.688 1.00 0.00 C ATOM 404 CG1 ILE A 28 -4.254 -11.563 -2.094 1.00 0.00 C ATOM 405 CG2 ILE A 28 -2.266 -11.201 -0.552 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.944 -10.480 -3.142 1.00 0.00 C ATOM 0 H ILE A 28 -5.045 -10.043 1.108 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.349 -12.519 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.058 -10.114 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.762 -12.493 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.326 -11.759 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.814 -10.616 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.975 -10.784 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.923 -12.233 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.285 -10.814 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.457 -9.557 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.869 -10.301 -3.174 1.00 0.00 H new ATOM 417 N ASN A 29 -2.953 -12.625 2.112 1.00 0.00 N ATOM 418 CA ASN A 29 -2.161 -13.509 2.967 1.00 0.00 C ATOM 419 C ASN A 29 -3.041 -14.534 3.690 1.00 0.00 C ATOM 420 O ASN A 29 -2.897 -15.744 3.497 1.00 0.00 O ATOM 421 CB ASN A 29 -1.347 -12.666 3.969 1.00 0.00 C ATOM 422 CG ASN A 29 0.136 -12.754 3.675 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.767 -13.778 3.881 1.00 0.00 O ATOM 424 ND2 ASN A 29 0.723 -11.696 3.157 1.00 0.00 N ATOM 0 H ASN A 29 -2.849 -11.640 2.356 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.473 -14.074 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.670 -11.626 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.541 -13.013 4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.715 -11.727 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.185 -10.846 2.989 1.00 0.00 H new ATOM 431 N LEU A 30 -3.994 -14.038 4.495 1.00 0.00 N ATOM 432 CA LEU A 30 -4.998 -14.814 5.229 1.00 0.00 C ATOM 433 C LEU A 30 -6.145 -15.328 4.331 1.00 0.00 C ATOM 434 O LEU A 30 -7.232 -15.648 4.802 1.00 0.00 O ATOM 435 CB LEU A 30 -5.475 -13.955 6.405 1.00 0.00 C ATOM 436 CG LEU A 30 -4.497 -14.031 7.599 1.00 0.00 C ATOM 437 CD1 LEU A 30 -4.747 -12.851 8.533 1.00 0.00 C ATOM 438 CD2 LEU A 30 -4.630 -15.364 8.349 1.00 0.00 C ATOM 0 H LEU A 30 -4.087 -13.035 4.657 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.551 -15.732 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.576 -12.919 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.463 -14.288 6.722 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.476 -13.978 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.058 -12.902 9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.589 -11.918 7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.773 -12.888 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.928 -15.384 9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.647 -15.468 8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.410 -16.187 7.669 1.00 0.00 H new ATOM 450 N ILE A 31 -5.872 -15.461 3.028 1.00 0.00 N ATOM 451 CA ILE A 31 -6.768 -15.967 1.995 1.00 0.00 C ATOM 452 C ILE A 31 -6.062 -17.105 1.267 1.00 0.00 C ATOM 453 O ILE A 31 -6.628 -18.186 1.187 1.00 0.00 O ATOM 454 CB ILE A 31 -7.219 -14.823 1.057 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.324 -13.968 1.716 1.00 0.00 C ATOM 456 CG2 ILE A 31 -7.639 -15.307 -0.337 1.00 0.00 C ATOM 457 CD1 ILE A 31 -9.767 -14.435 1.502 1.00 0.00 C ATOM 0 H ILE A 31 -4.962 -15.201 2.649 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.684 -16.363 2.433 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.343 -14.193 0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.133 -13.931 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.236 -12.948 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.943 -14.453 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.799 -15.810 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.474 -16.002 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.449 -13.755 2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.993 -14.443 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.888 -15.440 1.906 1.00 0.00 H new ATOM 468 N THR A 32 -4.820 -16.931 0.793 1.00 0.00 N ATOM 469 CA THR A 32 -4.073 -17.992 0.085 1.00 0.00 C ATOM 470 C THR A 32 -3.922 -19.276 0.907 1.00 0.00 C ATOM 471 O THR A 32 -3.921 -20.359 0.336 1.00 0.00 O ATOM 472 CB THR A 32 -2.691 -17.505 -0.375 1.00 0.00 C ATOM 473 OG1 THR A 32 -1.986 -16.830 0.650 1.00 0.00 O ATOM 474 CG2 THR A 32 -2.825 -16.546 -1.550 1.00 0.00 C ATOM 0 H THR A 32 -4.303 -16.057 0.887 1.00 0.00 H new ATOM 0 HA THR A 32 -4.676 -18.233 -0.791 1.00 0.00 H new ATOM 0 HB THR A 32 -2.137 -18.399 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.113 -16.541 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.835 -16.212 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.315 -17.054 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.421 -15.684 -1.250 1.00 0.00 H new ATOM 482 N ARG A 33 -3.867 -19.170 2.244 1.00 0.00 N ATOM 483 CA ARG A 33 -3.842 -20.302 3.182 1.00 0.00 C ATOM 484 C ARG A 33 -5.225 -20.909 3.489 1.00 0.00 C ATOM 485 O ARG A 33 -5.333 -21.826 4.300 1.00 0.00 O ATOM 486 CB ARG A 33 -3.090 -19.858 4.456 1.00 0.00 C ATOM 487 CG ARG A 33 -1.568 -19.920 4.214 1.00 0.00 C ATOM 488 CD ARG A 33 -0.766 -18.964 5.116 1.00 0.00 C ATOM 489 NE ARG A 33 -0.050 -19.663 6.205 1.00 0.00 N ATOM 490 CZ ARG A 33 1.099 -20.327 6.097 1.00 0.00 C ATOM 491 NH1 ARG A 33 1.721 -20.466 4.948 1.00 0.00 N ATOM 492 NH2 ARG A 33 1.649 -20.870 7.155 1.00 0.00 N ATOM 0 H ARG A 33 -3.838 -18.266 2.716 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.312 -21.125 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.383 -18.844 4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.361 -20.503 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.222 -20.940 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.363 -19.680 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.046 -18.417 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.443 -18.227 5.548 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.479 -19.634 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.325 -20.058 4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.600 -20.982 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.197 -20.785 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.529 -21.378 7.068 1.00 0.00 H new ATOM 506 N GLN A 34 -6.275 -20.414 2.828 1.00 0.00 N ATOM 507 CA GLN A 34 -7.675 -20.820 3.010 1.00 0.00 C ATOM 508 C GLN A 34 -8.556 -20.575 1.757 1.00 0.00 C ATOM 509 O GLN A 34 -9.767 -20.364 1.847 1.00 0.00 O ATOM 510 CB GLN A 34 -8.211 -20.148 4.288 1.00 0.00 C ATOM 511 CG GLN A 34 -9.512 -20.802 4.786 1.00 0.00 C ATOM 512 CD GLN A 34 -9.570 -20.894 6.303 1.00 0.00 C ATOM 513 OE1 GLN A 34 -10.098 -20.031 6.985 1.00 0.00 O ATOM 514 NE2 GLN A 34 -9.039 -21.955 6.887 1.00 0.00 N ATOM 0 H GLN A 34 -6.170 -19.687 2.120 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.721 -21.902 3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.455 -20.205 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.389 -19.090 4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.365 -20.227 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.599 -21.802 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.596 -22.680 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.072 -22.049 7.902 1.00 0.00 H new ATOM 523 N ARG A 35 -7.960 -20.633 0.547 1.00 0.00 N ATOM 524 CA ARG A 35 -8.645 -20.388 -0.742 1.00 0.00 C ATOM 525 C ARG A 35 -9.011 -21.667 -1.499 1.00 0.00 C ATOM 526 O ARG A 35 -9.623 -21.611 -2.566 1.00 0.00 O ATOM 527 CB ARG A 35 -7.802 -19.437 -1.610 1.00 0.00 C ATOM 528 CG ARG A 35 -8.620 -18.229 -2.084 1.00 0.00 C ATOM 529 CD ARG A 35 -9.668 -18.623 -3.122 1.00 0.00 C ATOM 530 NE ARG A 35 -10.184 -17.453 -3.839 1.00 0.00 N ATOM 531 CZ ARG A 35 -10.854 -17.497 -4.983 1.00 0.00 C ATOM 532 NH1 ARG A 35 -11.127 -18.640 -5.580 1.00 0.00 N ATOM 533 NH2 ARG A 35 -11.255 -16.388 -5.561 1.00 0.00 N ATOM 0 H ARG A 35 -6.971 -20.856 0.436 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.599 -19.914 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.940 -19.092 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.417 -19.978 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.112 -17.766 -1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.950 -17.482 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.231 -19.323 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.491 -19.141 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.015 -16.535 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.821 -19.519 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.644 -18.645 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.052 -15.486 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.770 -16.429 -6.441 1.00 0.00 H new ATOM 547 N TYR A 36 -8.632 -22.809 -0.937 1.00 0.00 N ATOM 548 CA TYR A 36 -8.753 -24.164 -1.476 1.00 0.00 C ATOM 549 C TYR A 36 -9.539 -25.080 -0.508 1.00 0.00 C ATOM 550 O TYR A 36 -9.413 -26.297 -0.498 1.00 0.00 O ATOM 551 CB TYR A 36 -7.331 -24.658 -1.810 1.00 0.00 C ATOM 552 CG TYR A 36 -6.250 -24.366 -0.770 1.00 0.00 C ATOM 553 CD1 TYR A 36 -6.412 -24.766 0.577 1.00 0.00 C ATOM 554 CD2 TYR A 36 -5.078 -23.679 -1.151 1.00 0.00 C ATOM 555 CE1 TYR A 36 -5.412 -24.490 1.530 1.00 0.00 C ATOM 556 CE2 TYR A 36 -4.069 -23.412 -0.205 1.00 0.00 C ATOM 557 CZ TYR A 36 -4.228 -23.826 1.133 1.00 0.00 C ATOM 558 OH TYR A 36 -3.240 -23.598 2.042 1.00 0.00 O ATOM 0 H TYR A 36 -8.195 -22.814 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.340 -24.180 -2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.372 -25.736 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.026 -24.209 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.309 -25.287 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.954 -23.356 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.549 -24.784 2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.173 -22.890 -0.505 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.496 -23.133 1.606 1.00 0.00 H new HETATM 568 N NH2 A 37 -10.344 -24.517 0.380 1.00 0.00 N TER 571 NH2 A 37