USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 295 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 ALA N :NH3+ -123:sc= 0.205 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -155:sc= -0.263 (180deg=-1.13) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.047 6.364 -20.899 1.00 0.00 N ATOM 2 CA ALA A 1 -12.817 5.773 -19.557 1.00 0.00 C ATOM 3 C ALA A 1 -14.033 6.068 -18.670 1.00 0.00 C ATOM 4 O ALA A 1 -14.847 6.882 -19.080 1.00 0.00 O ATOM 5 CB ALA A 1 -11.494 6.302 -18.982 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.976 5.620 -21.623 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.995 6.791 -20.933 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.331 7.096 -21.083 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.716 4.689 -19.613 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.326 5.867 -17.997 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.673 6.027 -19.645 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.543 7.388 -18.896 1.00 0.00 H new ATOM 13 N PRO A 2 -14.237 5.368 -17.534 1.00 0.00 N ATOM 14 CA PRO A 2 -15.345 5.642 -16.608 1.00 0.00 C ATOM 15 C PRO A 2 -15.043 6.736 -15.572 1.00 0.00 C ATOM 16 O PRO A 2 -15.937 7.493 -15.198 1.00 0.00 O ATOM 17 CB PRO A 2 -15.607 4.316 -15.885 1.00 0.00 C ATOM 18 CG PRO A 2 -14.284 3.549 -15.972 1.00 0.00 C ATOM 19 CD PRO A 2 -13.532 4.149 -17.165 1.00 0.00 C ATOM 0 HA PRO A 2 -16.199 6.014 -17.173 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.899 4.483 -14.848 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.417 3.761 -16.359 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.708 3.656 -15.053 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.459 2.483 -16.116 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.497 4.366 -16.901 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.508 3.448 -17.999 1.00 0.00 H new ATOM 27 N LEU A 3 -13.794 6.779 -15.089 1.00 0.00 N ATOM 28 CA LEU A 3 -13.292 7.773 -14.149 1.00 0.00 C ATOM 29 C LEU A 3 -12.212 8.610 -14.861 1.00 0.00 C ATOM 30 O LEU A 3 -11.057 8.187 -14.944 1.00 0.00 O ATOM 31 CB LEU A 3 -12.782 7.093 -12.859 1.00 0.00 C ATOM 32 CG LEU A 3 -13.008 7.998 -11.627 1.00 0.00 C ATOM 33 CD1 LEU A 3 -14.391 7.723 -11.028 1.00 0.00 C ATOM 34 CD2 LEU A 3 -11.934 7.832 -10.543 1.00 0.00 C ATOM 0 H LEU A 3 -13.085 6.095 -15.356 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.089 8.446 -13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.298 6.143 -12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.720 6.867 -12.958 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.941 9.027 -11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.545 8.364 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.158 7.931 -11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.455 6.678 -10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.154 8.497 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.927 6.800 -10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.957 8.082 -10.957 1.00 0.00 H new ATOM 46 N GLU A 4 -12.592 9.775 -15.390 1.00 0.00 N ATOM 47 CA GLU A 4 -11.674 10.707 -16.055 1.00 0.00 C ATOM 48 C GLU A 4 -11.675 12.110 -15.410 1.00 0.00 C ATOM 49 O GLU A 4 -12.661 12.509 -14.790 1.00 0.00 O ATOM 50 CB GLU A 4 -11.977 10.766 -17.561 1.00 0.00 C ATOM 51 CG GLU A 4 -13.346 11.356 -17.940 1.00 0.00 C ATOM 52 CD GLU A 4 -14.292 10.231 -18.349 1.00 0.00 C ATOM 53 OE1 GLU A 4 -14.893 9.649 -17.418 1.00 0.00 O ATOM 54 OE2 GLU A 4 -14.327 9.928 -19.569 1.00 0.00 O ATOM 0 H GLU A 4 -13.558 10.103 -15.369 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.662 10.324 -15.921 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.200 11.356 -18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.911 9.756 -17.967 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.762 11.906 -17.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.233 12.066 -18.759 1.00 0.00 H new ATOM 61 N PRO A 5 -10.579 12.883 -15.542 1.00 0.00 N ATOM 62 CA PRO A 5 -10.508 14.253 -15.052 1.00 0.00 C ATOM 63 C PRO A 5 -11.238 15.227 -15.985 1.00 0.00 C ATOM 64 O PRO A 5 -10.850 15.423 -17.142 1.00 0.00 O ATOM 65 CB PRO A 5 -9.018 14.588 -14.952 1.00 0.00 C ATOM 66 CG PRO A 5 -8.332 13.634 -15.925 1.00 0.00 C ATOM 67 CD PRO A 5 -9.314 12.485 -16.144 1.00 0.00 C ATOM 0 HA PRO A 5 -11.002 14.348 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.829 15.628 -15.219 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.649 14.448 -13.936 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.100 14.135 -16.865 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.389 13.270 -15.516 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.440 12.283 -17.208 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.942 11.568 -15.688 1.00 0.00 H new ATOM 75 N VAL A 6 -12.265 15.896 -15.449 1.00 0.00 N ATOM 76 CA VAL A 6 -13.018 16.931 -16.166 1.00 0.00 C ATOM 77 C VAL A 6 -12.350 18.317 -16.078 1.00 0.00 C ATOM 78 O VAL A 6 -12.632 19.192 -16.894 1.00 0.00 O ATOM 79 CB VAL A 6 -14.490 16.932 -15.695 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.781 17.896 -14.536 1.00 0.00 C ATOM 81 CG2 VAL A 6 -15.437 17.226 -16.863 1.00 0.00 C ATOM 0 H VAL A 6 -12.599 15.733 -14.499 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.011 16.688 -17.229 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.668 15.927 -15.312 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.836 17.834 -14.268 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.171 17.624 -13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.543 18.915 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.467 17.221 -16.506 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.203 18.204 -17.284 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.316 16.462 -17.631 1.00 0.00 H new ATOM 91 N TYR A 7 -11.462 18.503 -15.088 1.00 0.00 N ATOM 92 CA TYR A 7 -10.813 19.777 -14.762 1.00 0.00 C ATOM 93 C TYR A 7 -9.574 19.568 -13.855 1.00 0.00 C ATOM 94 O TYR A 7 -9.693 19.643 -12.630 1.00 0.00 O ATOM 95 CB TYR A 7 -11.861 20.714 -14.121 1.00 0.00 C ATOM 96 CG TYR A 7 -11.649 22.175 -14.468 1.00 0.00 C ATOM 97 CD1 TYR A 7 -12.045 22.644 -15.730 1.00 0.00 C ATOM 98 CD2 TYR A 7 -11.089 23.055 -13.523 1.00 0.00 C ATOM 99 CE1 TYR A 7 -11.920 24.010 -16.044 1.00 0.00 C ATOM 100 CE2 TYR A 7 -10.956 24.419 -13.835 1.00 0.00 C ATOM 101 CZ TYR A 7 -11.392 24.902 -15.084 1.00 0.00 C ATOM 102 OH TYR A 7 -11.332 26.237 -15.335 1.00 0.00 O ATOM 0 H TYR A 7 -11.168 17.743 -14.474 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.437 20.242 -15.673 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.856 20.411 -14.446 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -11.830 20.596 -13.038 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -12.446 21.957 -16.460 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.763 22.684 -12.563 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -12.226 24.375 -17.013 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.519 25.097 -13.117 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.941 26.698 -14.563 1.00 0.00 H new ATOM 112 N PRO A 8 -8.390 19.244 -14.407 1.00 0.00 N ATOM 113 CA PRO A 8 -7.170 19.035 -13.631 1.00 0.00 C ATOM 114 C PRO A 8 -6.595 20.364 -13.115 1.00 0.00 C ATOM 115 O PRO A 8 -5.978 21.116 -13.865 1.00 0.00 O ATOM 116 CB PRO A 8 -6.202 18.285 -14.553 1.00 0.00 C ATOM 117 CG PRO A 8 -6.671 18.615 -15.969 1.00 0.00 C ATOM 118 CD PRO A 8 -8.130 19.062 -15.830 1.00 0.00 C ATOM 0 HA PRO A 8 -7.362 18.450 -12.732 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.173 18.608 -14.392 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.232 17.211 -14.367 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.061 19.403 -16.410 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.588 17.746 -16.621 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.302 19.990 -16.375 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.803 18.316 -16.252 1.00 0.00 H new ATOM 126 N GLY A 9 -6.806 20.636 -11.817 1.00 0.00 N ATOM 127 CA GLY A 9 -6.362 21.866 -11.157 1.00 0.00 C ATOM 128 C GLY A 9 -6.273 21.712 -9.640 1.00 0.00 C ATOM 129 O GLY A 9 -7.147 22.208 -8.930 1.00 0.00 O ATOM 0 H GLY A 9 -7.297 19.997 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.386 22.153 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.053 22.674 -11.398 1.00 0.00 H new ATOM 133 N ASP A 10 -5.222 21.028 -9.163 1.00 0.00 N ATOM 134 CA ASP A 10 -4.925 20.712 -7.757 1.00 0.00 C ATOM 135 C ASP A 10 -6.134 20.115 -6.989 1.00 0.00 C ATOM 136 O ASP A 10 -6.827 20.803 -6.243 1.00 0.00 O ATOM 137 CB ASP A 10 -4.302 21.928 -7.047 1.00 0.00 C ATOM 138 CG ASP A 10 -2.973 22.447 -7.654 1.00 0.00 C ATOM 139 OD1 ASP A 10 -2.163 21.642 -8.189 1.00 0.00 O ATOM 140 OD2 ASP A 10 -2.737 23.664 -7.497 1.00 0.00 O ATOM 0 H ASP A 10 -4.509 20.656 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.183 19.914 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.027 22.742 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.127 21.667 -6.003 1.00 0.00 H new ATOM 145 N ASN A 11 -6.371 18.810 -7.181 1.00 0.00 N ATOM 146 CA ASN A 11 -7.474 18.075 -6.559 1.00 0.00 C ATOM 147 C ASN A 11 -7.191 17.763 -5.072 1.00 0.00 C ATOM 148 O ASN A 11 -7.550 18.537 -4.189 1.00 0.00 O ATOM 149 CB ASN A 11 -7.781 16.791 -7.367 1.00 0.00 C ATOM 150 CG ASN A 11 -8.676 17.028 -8.576 1.00 0.00 C ATOM 151 OD1 ASN A 11 -8.576 18.009 -9.285 1.00 0.00 O ATOM 152 ND2 ASN A 11 -9.578 16.101 -8.838 1.00 0.00 N ATOM 0 H ASN A 11 -5.790 18.228 -7.784 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.360 18.710 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.842 16.350 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.258 16.064 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.198 16.205 -9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.655 15.280 -8.237 1.00 0.00 H new ATOM 159 N ALA A 12 -6.579 16.603 -4.812 1.00 0.00 N ATOM 160 CA ALA A 12 -6.191 16.146 -3.486 1.00 0.00 C ATOM 161 C ALA A 12 -4.800 16.687 -3.117 1.00 0.00 C ATOM 162 O ALA A 12 -3.963 16.924 -3.998 1.00 0.00 O ATOM 163 CB ALA A 12 -6.222 14.610 -3.461 1.00 0.00 C ATOM 0 H ALA A 12 -6.335 15.939 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.892 16.525 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.933 14.256 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.229 14.263 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.526 14.220 -4.204 1.00 0.00 H new ATOM 169 N THR A 13 -4.545 16.859 -1.817 1.00 0.00 N ATOM 170 CA THR A 13 -3.271 17.399 -1.319 1.00 0.00 C ATOM 171 C THR A 13 -2.098 16.413 -1.540 1.00 0.00 C ATOM 172 O THR A 13 -2.320 15.201 -1.615 1.00 0.00 O ATOM 173 CB THR A 13 -3.448 17.833 0.152 1.00 0.00 C ATOM 174 OG1 THR A 13 -3.022 19.158 0.342 1.00 0.00 O ATOM 175 CG2 THR A 13 -2.769 16.953 1.195 1.00 0.00 C ATOM 0 H THR A 13 -5.212 16.630 -1.080 1.00 0.00 H new ATOM 0 HA THR A 13 -2.998 18.283 -1.895 1.00 0.00 H new ATOM 0 HB THR A 13 -4.520 17.728 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.146 19.410 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.961 17.354 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.165 15.940 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.695 16.935 1.012 1.00 0.00 H new ATOM 183 N PRO A 14 -0.837 16.887 -1.569 1.00 0.00 N ATOM 184 CA PRO A 14 0.334 16.056 -1.856 1.00 0.00 C ATOM 185 C PRO A 14 0.636 15.056 -0.718 1.00 0.00 C ATOM 186 O PRO A 14 0.906 13.885 -0.973 1.00 0.00 O ATOM 187 CB PRO A 14 1.487 17.030 -2.112 1.00 0.00 C ATOM 188 CG PRO A 14 1.054 18.363 -1.495 1.00 0.00 C ATOM 189 CD PRO A 14 -0.456 18.258 -1.277 1.00 0.00 C ATOM 0 HA PRO A 14 0.165 15.423 -2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.410 16.671 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.678 17.137 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.572 18.543 -0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.296 19.195 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.716 18.520 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.988 18.952 -1.928 1.00 0.00 H new ATOM 197 N GLU A 15 0.518 15.504 0.531 1.00 0.00 N ATOM 198 CA GLU A 15 0.706 14.679 1.745 1.00 0.00 C ATOM 199 C GLU A 15 -0.305 13.525 1.814 1.00 0.00 C ATOM 200 O GLU A 15 0.004 12.438 2.302 1.00 0.00 O ATOM 201 CB GLU A 15 0.668 15.594 2.994 1.00 0.00 C ATOM 202 CG GLU A 15 1.795 15.332 4.016 1.00 0.00 C ATOM 203 CD GLU A 15 1.374 14.516 5.236 1.00 0.00 C ATOM 204 OE1 GLU A 15 0.909 15.134 6.221 1.00 0.00 O ATOM 205 OE2 GLU A 15 1.563 13.279 5.214 1.00 0.00 O ATOM 0 H GLU A 15 0.283 16.474 0.743 1.00 0.00 H new ATOM 0 HA GLU A 15 1.684 14.200 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.724 16.633 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.293 15.467 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.610 14.812 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.189 16.290 4.355 1.00 0.00 H new ATOM 212 N GLN A 16 -1.491 13.716 1.226 1.00 0.00 N ATOM 213 CA GLN A 16 -2.515 12.678 1.082 1.00 0.00 C ATOM 214 C GLN A 16 -2.284 11.808 -0.165 1.00 0.00 C ATOM 215 O GLN A 16 -2.678 10.646 -0.183 1.00 0.00 O ATOM 216 CB GLN A 16 -3.901 13.347 1.077 1.00 0.00 C ATOM 217 CG GLN A 16 -5.067 12.362 1.151 1.00 0.00 C ATOM 218 CD GLN A 16 -6.009 12.709 2.300 1.00 0.00 C ATOM 219 OE1 GLN A 16 -5.883 12.207 3.410 1.00 0.00 O ATOM 220 NE2 GLN A 16 -6.971 13.587 2.087 1.00 0.00 N ATOM 0 H GLN A 16 -1.770 14.613 0.830 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.454 11.995 1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.965 14.034 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.001 13.945 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.617 12.374 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.684 11.350 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.081 14.009 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.604 13.844 2.844 1.00 0.00 H new ATOM 229 N MET A 17 -1.598 12.322 -1.190 1.00 0.00 N ATOM 230 CA MET A 17 -1.286 11.622 -2.446 1.00 0.00 C ATOM 231 C MET A 17 -0.213 10.555 -2.231 1.00 0.00 C ATOM 232 O MET A 17 -0.365 9.418 -2.685 1.00 0.00 O ATOM 233 CB MET A 17 -0.813 12.645 -3.485 1.00 0.00 C ATOM 234 CG MET A 17 -1.852 12.917 -4.572 1.00 0.00 C ATOM 235 SD MET A 17 -1.667 11.910 -6.069 1.00 0.00 S ATOM 236 CE MET A 17 -0.011 12.435 -6.597 1.00 0.00 C ATOM 0 H MET A 17 -1.229 13.273 -1.170 1.00 0.00 H new ATOM 0 HA MET A 17 -2.186 11.121 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.569 13.580 -2.981 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.105 12.285 -3.950 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.845 12.746 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.799 13.970 -4.850 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.092 12.287 -7.672 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.129 13.490 -6.361 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.742 11.844 -6.076 1.00 0.00 H new ATOM 245 N ALA A 18 0.842 10.892 -1.477 1.00 0.00 N ATOM 246 CA ALA A 18 1.855 9.914 -1.098 1.00 0.00 C ATOM 247 C ALA A 18 1.248 8.757 -0.286 1.00 0.00 C ATOM 248 O ALA A 18 1.655 7.605 -0.444 1.00 0.00 O ATOM 249 CB ALA A 18 2.978 10.618 -0.329 1.00 0.00 C ATOM 0 H ALA A 18 1.011 11.833 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 18 2.273 9.470 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.737 9.889 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.429 11.382 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.569 11.084 0.567 1.00 0.00 H new ATOM 255 N ARG A 19 0.221 9.058 0.521 1.00 0.00 N ATOM 256 CA ARG A 19 -0.548 8.067 1.259 1.00 0.00 C ATOM 257 C ARG A 19 -1.515 7.286 0.363 1.00 0.00 C ATOM 258 O ARG A 19 -1.646 6.082 0.552 1.00 0.00 O ATOM 259 CB ARG A 19 -1.271 8.739 2.446 1.00 0.00 C ATOM 260 CG ARG A 19 -0.857 8.137 3.806 1.00 0.00 C ATOM 261 CD ARG A 19 -1.310 6.677 3.995 1.00 0.00 C ATOM 262 NE ARG A 19 -2.012 6.467 5.280 1.00 0.00 N ATOM 263 CZ ARG A 19 -1.495 6.419 6.500 1.00 0.00 C ATOM 264 NH1 ARG A 19 -0.207 6.495 6.738 1.00 0.00 N ATOM 265 NH2 ARG A 19 -2.290 6.274 7.545 1.00 0.00 N ATOM 0 H ARG A 19 -0.098 10.014 0.676 1.00 0.00 H new ATOM 0 HA ARG A 19 0.149 7.327 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.053 9.807 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.348 8.634 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.228 8.188 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.277 8.746 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.969 6.394 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.441 6.021 3.947 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.023 6.343 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.450 6.596 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.138 6.453 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.299 6.199 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.895 6.237 8.485 1.00 0.00 H new ATOM 279 N TYR A 20 -2.138 7.928 -0.621 1.00 0.00 N ATOM 280 CA TYR A 20 -3.042 7.324 -1.604 1.00 0.00 C ATOM 281 C TYR A 20 -2.340 6.229 -2.412 1.00 0.00 C ATOM 282 O TYR A 20 -2.792 5.085 -2.435 1.00 0.00 O ATOM 283 CB TYR A 20 -3.575 8.423 -2.540 1.00 0.00 C ATOM 284 CG TYR A 20 -4.553 7.947 -3.599 1.00 0.00 C ATOM 285 CD1 TYR A 20 -4.070 7.411 -4.813 1.00 0.00 C ATOM 286 CD2 TYR A 20 -5.937 8.066 -3.391 1.00 0.00 C ATOM 287 CE1 TYR A 20 -4.967 6.971 -5.804 1.00 0.00 C ATOM 288 CE2 TYR A 20 -6.843 7.649 -4.386 1.00 0.00 C ATOM 289 CZ TYR A 20 -6.357 7.097 -5.594 1.00 0.00 C ATOM 290 OH TYR A 20 -7.219 6.729 -6.581 1.00 0.00 O ATOM 0 H TYR A 20 -2.023 8.931 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.872 6.856 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.062 9.189 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.729 8.898 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.006 7.338 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.308 8.479 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.594 6.539 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.906 7.751 -4.227 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.141 6.875 -6.282 1.00 0.00 H new ATOM 300 N TYR A 21 -1.225 6.569 -3.064 1.00 0.00 N ATOM 301 CA TYR A 21 -0.479 5.631 -3.905 1.00 0.00 C ATOM 302 C TYR A 21 0.061 4.435 -3.101 1.00 0.00 C ATOM 303 O TYR A 21 -0.054 3.281 -3.522 1.00 0.00 O ATOM 304 CB TYR A 21 0.657 6.395 -4.594 1.00 0.00 C ATOM 305 CG TYR A 21 1.461 5.552 -5.566 1.00 0.00 C ATOM 306 CD1 TYR A 21 2.569 4.812 -5.104 1.00 0.00 C ATOM 307 CD2 TYR A 21 1.096 5.500 -6.927 1.00 0.00 C ATOM 308 CE1 TYR A 21 3.321 4.032 -6.006 1.00 0.00 C ATOM 309 CE2 TYR A 21 1.841 4.717 -7.821 1.00 0.00 C ATOM 310 CZ TYR A 21 2.960 3.990 -7.372 1.00 0.00 C ATOM 311 OH TYR A 21 3.691 3.256 -8.248 1.00 0.00 O ATOM 0 H TYR A 21 -0.815 7.502 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.152 5.213 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.237 7.247 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.328 6.794 -3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.841 4.843 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.244 6.062 -7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.172 3.467 -5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.554 4.671 -8.861 1.00 0.00 H new ATOM 0 HH TYR A 21 3.304 3.337 -9.145 1.00 0.00 H new ATOM 321 N SER A 22 0.615 4.707 -1.916 1.00 0.00 N ATOM 322 CA SER A 22 1.062 3.654 -1.007 1.00 0.00 C ATOM 323 C SER A 22 -0.104 2.792 -0.529 1.00 0.00 C ATOM 324 O SER A 22 0.022 1.567 -0.488 1.00 0.00 O ATOM 325 CB SER A 22 1.811 4.235 0.196 1.00 0.00 C ATOM 326 OG SER A 22 3.170 3.867 0.127 1.00 0.00 O ATOM 0 H SER A 22 0.764 5.653 -1.565 1.00 0.00 H new ATOM 0 HA SER A 22 1.748 3.021 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.718 5.321 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.371 3.869 1.123 1.00 0.00 H new ATOM 0 HG SER A 22 3.649 4.240 0.896 1.00 0.00 H new ATOM 332 N ALA A 23 -1.250 3.409 -0.208 1.00 0.00 N ATOM 333 CA ALA A 23 -2.465 2.692 0.129 1.00 0.00 C ATOM 334 C ALA A 23 -2.934 1.815 -1.028 1.00 0.00 C ATOM 335 O ALA A 23 -3.278 0.674 -0.756 1.00 0.00 O ATOM 336 CB ALA A 23 -3.572 3.647 0.583 1.00 0.00 C ATOM 0 H ALA A 23 -1.350 4.424 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.232 2.036 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.468 3.076 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.240 4.196 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.798 4.350 -0.219 1.00 0.00 H new ATOM 342 N LEU A 24 -2.881 2.266 -2.289 1.00 0.00 N ATOM 343 CA LEU A 24 -3.156 1.440 -3.464 1.00 0.00 C ATOM 344 C LEU A 24 -2.238 0.215 -3.476 1.00 0.00 C ATOM 345 O LEU A 24 -2.734 -0.909 -3.545 1.00 0.00 O ATOM 346 CB LEU A 24 -3.048 2.314 -4.724 1.00 0.00 C ATOM 347 CG LEU A 24 -2.718 1.576 -6.039 1.00 0.00 C ATOM 348 CD1 LEU A 24 -3.898 0.725 -6.522 1.00 0.00 C ATOM 349 CD2 LEU A 24 -2.268 2.564 -7.132 1.00 0.00 C ATOM 0 H LEU A 24 -2.642 3.230 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.172 1.046 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.992 2.843 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.280 3.069 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.889 0.899 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.627 0.221 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.145 -0.018 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.762 1.366 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.042 2.016 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.066 3.281 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.377 3.095 -6.798 1.00 0.00 H new ATOM 361 N ARG A 25 -0.913 0.408 -3.379 1.00 0.00 N ATOM 362 CA ARG A 25 0.037 -0.712 -3.369 1.00 0.00 C ATOM 363 C ARG A 25 -0.297 -1.704 -2.263 1.00 0.00 C ATOM 364 O ARG A 25 -0.379 -2.904 -2.523 1.00 0.00 O ATOM 365 CB ARG A 25 1.470 -0.191 -3.211 1.00 0.00 C ATOM 366 CG ARG A 25 2.522 -1.267 -3.521 1.00 0.00 C ATOM 367 CD ARG A 25 2.621 -1.565 -5.030 1.00 0.00 C ATOM 368 NE ARG A 25 4.016 -1.806 -5.443 1.00 0.00 N ATOM 369 CZ ARG A 25 4.780 -2.854 -5.164 1.00 0.00 C ATOM 370 NH1 ARG A 25 4.303 -3.909 -4.533 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.047 -2.842 -5.492 1.00 0.00 N ATOM 0 H ARG A 25 -0.478 1.328 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.043 -1.235 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.619 0.661 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.612 0.170 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.494 -0.940 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.271 -2.183 -2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.013 -2.438 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.213 -0.727 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 25 4.446 -1.078 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.324 -3.933 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.913 -4.701 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.445 -2.028 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.637 -3.646 -5.279 1.00 0.00 H new ATOM 385 N ARG A 26 -0.505 -1.204 -1.039 1.00 0.00 N ATOM 386 CA ARG A 26 -0.840 -2.042 0.111 1.00 0.00 C ATOM 387 C ARG A 26 -2.190 -2.724 -0.058 1.00 0.00 C ATOM 388 O ARG A 26 -2.262 -3.918 0.189 1.00 0.00 O ATOM 389 CB ARG A 26 -0.756 -1.238 1.419 1.00 0.00 C ATOM 390 CG ARG A 26 -0.236 -2.111 2.564 1.00 0.00 C ATOM 391 CD ARG A 26 -1.334 -2.924 3.282 1.00 0.00 C ATOM 392 NE ARG A 26 -1.989 -2.119 4.326 1.00 0.00 N ATOM 393 CZ ARG A 26 -1.479 -1.793 5.507 1.00 0.00 C ATOM 394 NH1 ARG A 26 -0.297 -2.224 5.895 1.00 0.00 N ATOM 395 NH2 ARG A 26 -2.158 -0.998 6.291 1.00 0.00 N ATOM 0 H ARG A 26 -0.445 -0.209 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.098 -2.839 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.097 -0.381 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.741 -0.846 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.513 -2.799 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.266 -1.475 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.076 -3.259 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.897 -3.818 3.727 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.928 -1.778 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.253 -2.825 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.069 -1.956 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.064 -0.639 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.782 -0.737 7.202 1.00 0.00 H new ATOM 409 N TYR A 27 -3.222 -2.006 -0.508 1.00 0.00 N ATOM 410 CA TYR A 27 -4.565 -2.504 -0.808 1.00 0.00 C ATOM 411 C TYR A 27 -4.503 -3.638 -1.832 1.00 0.00 C ATOM 412 O TYR A 27 -5.110 -4.682 -1.618 1.00 0.00 O ATOM 413 CB TYR A 27 -5.432 -1.321 -1.294 1.00 0.00 C ATOM 414 CG TYR A 27 -6.896 -1.603 -1.573 1.00 0.00 C ATOM 415 CD1 TYR A 27 -7.728 -2.076 -0.534 1.00 0.00 C ATOM 416 CD2 TYR A 27 -7.443 -1.353 -2.849 1.00 0.00 C ATOM 417 CE1 TYR A 27 -9.077 -2.372 -0.793 1.00 0.00 C ATOM 418 CE2 TYR A 27 -8.800 -1.644 -3.109 1.00 0.00 C ATOM 419 CZ TYR A 27 -9.613 -2.189 -2.085 1.00 0.00 C ATOM 420 OH TYR A 27 -10.877 -2.622 -2.352 1.00 0.00 O ATOM 0 H TYR A 27 -3.137 -1.005 -0.682 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.022 -2.923 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.377 -0.532 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.984 -0.926 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.327 -2.210 0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.822 -0.938 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.707 -2.742 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.217 -1.451 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.101 -2.422 -3.285 1.00 0.00 H new ATOM 430 N ILE A 28 -3.693 -3.523 -2.874 1.00 0.00 N ATOM 431 CA ILE A 28 -3.488 -4.614 -3.835 1.00 0.00 C ATOM 432 C ILE A 28 -2.716 -5.782 -3.190 1.00 0.00 C ATOM 433 O ILE A 28 -2.999 -6.942 -3.485 1.00 0.00 O ATOM 434 CB ILE A 28 -2.803 -4.049 -5.101 1.00 0.00 C ATOM 435 CG1 ILE A 28 -3.684 -2.966 -5.779 1.00 0.00 C ATOM 436 CG2 ILE A 28 -2.426 -5.149 -6.109 1.00 0.00 C ATOM 437 CD1 ILE A 28 -4.850 -3.472 -6.635 1.00 0.00 C ATOM 0 H ILE A 28 -3.159 -2.679 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.448 -5.033 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.874 -3.585 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.088 -2.318 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.042 -2.348 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.949 -4.697 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.737 -5.851 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.325 -5.679 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.389 -2.622 -7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.465 -4.092 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.526 -4.062 -6.016 1.00 0.00 H new ATOM 448 N ASN A 29 -1.783 -5.507 -2.268 1.00 0.00 N ATOM 449 CA ASN A 29 -1.046 -6.540 -1.533 1.00 0.00 C ATOM 450 C ASN A 29 -1.925 -7.293 -0.514 1.00 0.00 C ATOM 451 O ASN A 29 -1.855 -8.511 -0.447 1.00 0.00 O ATOM 452 CB ASN A 29 0.185 -5.904 -0.859 1.00 0.00 C ATOM 453 CG ASN A 29 1.350 -6.879 -0.786 1.00 0.00 C ATOM 454 OD1 ASN A 29 2.090 -7.052 -1.742 1.00 0.00 O ATOM 455 ND2 ASN A 29 1.563 -7.521 0.340 1.00 0.00 N ATOM 0 H ASN A 29 -1.518 -4.556 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.718 -7.294 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.487 -5.016 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.079 -5.576 0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.349 -8.167 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.943 -7.374 1.136 1.00 0.00 H new ATOM 462 N MET A 30 -2.740 -6.589 0.283 1.00 0.00 N ATOM 463 CA MET A 30 -3.667 -7.144 1.274 1.00 0.00 C ATOM 464 C MET A 30 -4.880 -7.840 0.638 1.00 0.00 C ATOM 465 O MET A 30 -5.313 -8.873 1.143 1.00 0.00 O ATOM 466 CB MET A 30 -4.113 -6.055 2.270 1.00 0.00 C ATOM 467 CG MET A 30 -4.736 -4.831 1.625 1.00 0.00 C ATOM 468 SD MET A 30 -6.419 -4.392 2.118 1.00 0.00 S ATOM 469 CE MET A 30 -6.017 -3.284 3.487 1.00 0.00 C ATOM 0 H MET A 30 -2.771 -5.570 0.252 1.00 0.00 H new ATOM 0 HA MET A 30 -3.121 -7.916 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.831 -6.489 2.966 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.250 -5.741 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.091 -3.977 1.832 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.730 -4.980 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.938 -2.903 3.929 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.450 -3.829 4.242 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.420 -2.450 3.117 1.00 0.00 H new ATOM 478 N LEU A 31 -5.386 -7.343 -0.502 1.00 0.00 N ATOM 479 CA LEU A 31 -6.428 -8.017 -1.279 1.00 0.00 C ATOM 480 C LEU A 31 -5.976 -9.372 -1.839 1.00 0.00 C ATOM 481 O LEU A 31 -6.817 -10.229 -2.097 1.00 0.00 O ATOM 482 CB LEU A 31 -6.841 -7.090 -2.433 1.00 0.00 C ATOM 483 CG LEU A 31 -7.788 -5.952 -2.006 1.00 0.00 C ATOM 484 CD1 LEU A 31 -7.866 -4.919 -3.134 1.00 0.00 C ATOM 485 CD2 LEU A 31 -9.195 -6.447 -1.653 1.00 0.00 C ATOM 0 H LEU A 31 -5.080 -6.459 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.267 -8.222 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.945 -6.657 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.327 -7.683 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.378 -5.505 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.534 -4.110 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.872 -4.516 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.247 -5.395 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.816 -5.600 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.636 -6.938 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.135 -7.156 -0.827 1.00 0.00 H new ATOM 497 N THR A 32 -4.658 -9.565 -1.970 1.00 0.00 N ATOM 498 CA THR A 32 -4.010 -10.781 -2.477 1.00 0.00 C ATOM 499 C THR A 32 -3.037 -11.363 -1.436 1.00 0.00 C ATOM 500 O THR A 32 -2.148 -12.146 -1.754 1.00 0.00 O ATOM 501 CB THR A 32 -3.390 -10.493 -3.869 1.00 0.00 C ATOM 502 OG1 THR A 32 -4.405 -9.987 -4.713 1.00 0.00 O ATOM 503 CG2 THR A 32 -2.836 -11.722 -4.596 1.00 0.00 C ATOM 0 H THR A 32 -3.983 -8.845 -1.714 1.00 0.00 H new ATOM 0 HA THR A 32 -4.744 -11.572 -2.631 1.00 0.00 H new ATOM 0 HB THR A 32 -2.566 -9.806 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.030 -9.797 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.424 -11.420 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.051 -12.179 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.638 -12.443 -4.754 1.00 0.00 H new ATOM 511 N ARG A 33 -3.219 -11.015 -0.146 1.00 0.00 N ATOM 512 CA ARG A 33 -2.498 -11.631 0.981 1.00 0.00 C ATOM 513 C ARG A 33 -2.878 -13.101 1.162 1.00 0.00 C ATOM 514 O ARG A 33 -1.973 -13.935 1.190 1.00 0.00 O ATOM 515 CB ARG A 33 -2.725 -10.864 2.298 1.00 0.00 C ATOM 516 CG ARG A 33 -1.477 -10.117 2.770 1.00 0.00 C ATOM 517 CD ARG A 33 -1.770 -9.522 4.150 1.00 0.00 C ATOM 518 NE ARG A 33 -0.810 -8.466 4.505 1.00 0.00 N ATOM 519 CZ ARG A 33 -0.954 -7.572 5.476 1.00 0.00 C ATOM 520 NH1 ARG A 33 -1.981 -7.609 6.289 1.00 0.00 N ATOM 521 NH2 ARG A 33 -0.058 -6.627 5.647 1.00 0.00 N ATOM 0 H ARG A 33 -3.877 -10.291 0.143 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.438 -11.577 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.540 -10.153 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.038 -11.565 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.625 -10.795 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.216 -9.329 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.781 -9.114 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.736 -10.311 4.901 1.00 0.00 H new ATOM 0 HE ARG A 33 0.047 -8.416 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.690 -8.335 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.072 -6.912 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.754 -6.577 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.174 -5.943 6.395 1.00 0.00 H new ATOM 535 N PRO A 34 -4.175 -13.441 1.354 1.00 0.00 N ATOM 536 CA PRO A 34 -4.581 -14.829 1.516 1.00 0.00 C ATOM 537 C PRO A 34 -4.513 -15.562 0.169 1.00 0.00 C ATOM 538 O PRO A 34 -4.721 -14.954 -0.886 1.00 0.00 O ATOM 539 CB PRO A 34 -5.996 -14.768 2.094 1.00 0.00 C ATOM 540 CG PRO A 34 -6.560 -13.411 1.679 1.00 0.00 C ATOM 541 CD PRO A 34 -5.341 -12.558 1.342 1.00 0.00 C ATOM 0 HA PRO A 34 -3.926 -15.391 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.611 -15.581 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.979 -14.869 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.224 -13.506 0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.143 -12.964 2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.458 -12.090 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.222 -11.754 2.069 1.00 0.00 H new ATOM 549 N ARG A 35 -4.259 -16.878 0.209 1.00 0.00 N ATOM 550 CA ARG A 35 -4.063 -17.758 -0.962 1.00 0.00 C ATOM 551 C ARG A 35 -2.938 -17.280 -1.903 1.00 0.00 C ATOM 552 O ARG A 35 -3.171 -16.925 -3.053 1.00 0.00 O ATOM 553 CB ARG A 35 -5.392 -17.992 -1.715 1.00 0.00 C ATOM 554 CG ARG A 35 -6.414 -18.789 -0.906 1.00 0.00 C ATOM 555 CD ARG A 35 -7.407 -17.897 -0.141 1.00 0.00 C ATOM 556 NE ARG A 35 -7.676 -18.409 1.209 1.00 0.00 N ATOM 557 CZ ARG A 35 -8.547 -17.921 2.086 1.00 0.00 C ATOM 558 NH1 ARG A 35 -9.321 -16.903 1.789 1.00 0.00 N ATOM 559 NH2 ARG A 35 -8.652 -18.452 3.283 1.00 0.00 N ATOM 0 H ARG A 35 -4.180 -17.383 1.092 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.727 -18.719 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.824 -17.028 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.186 -18.519 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.967 -19.446 -1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.888 -19.428 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.008 -16.885 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.342 -17.834 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.138 -19.224 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.262 -16.469 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.982 -16.546 2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.063 -19.243 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.322 -18.073 3.952 1.00 0.00 H new ATOM 573 N TYR A 36 -1.699 -17.342 -1.406 1.00 0.00 N ATOM 574 CA TYR A 36 -0.497 -16.919 -2.121 1.00 0.00 C ATOM 575 C TYR A 36 0.749 -17.651 -1.593 1.00 0.00 C ATOM 576 O TYR A 36 0.929 -17.810 -0.389 1.00 0.00 O ATOM 577 CB TYR A 36 -0.380 -15.393 -1.955 1.00 0.00 C ATOM 578 CG TYR A 36 0.945 -14.803 -2.381 1.00 0.00 C ATOM 579 CD1 TYR A 36 1.345 -14.855 -3.733 1.00 0.00 C ATOM 580 CD2 TYR A 36 1.782 -14.215 -1.413 1.00 0.00 C ATOM 581 CE1 TYR A 36 2.593 -14.335 -4.109 1.00 0.00 C ATOM 582 CE2 TYR A 36 3.027 -13.680 -1.795 1.00 0.00 C ATOM 583 CZ TYR A 36 3.436 -13.740 -3.148 1.00 0.00 C ATOM 584 OH TYR A 36 4.649 -13.244 -3.503 1.00 0.00 O ATOM 0 H TYR A 36 -1.502 -17.698 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.568 -17.173 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.174 -14.918 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.552 -15.142 -0.908 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.694 -15.293 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.470 -14.175 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.910 -14.391 -5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.669 -13.224 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 36 5.093 -12.870 -2.714 1.00 0.00 H new HETATM 594 N NH2 A 37 1.638 -18.126 -2.456 1.00 0.00 N TER 597 NH2 A 37