USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 287 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+ -110:sc= 0.166 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00427 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 MET CE :methyl -153:sc= -0.0576 (180deg=-1.15) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 30 MET CE :methyl 163:sc=-0.00566 (180deg=-0.219) 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 7.256 2.530 -16.282 1.00 1.00 N ATOM 2 CA ALA A 1 6.162 1.600 -15.916 1.00 1.00 C ATOM 3 C ALA A 1 4.882 1.942 -16.700 1.00 1.00 C ATOM 4 O ALA A 1 4.841 3.029 -17.284 1.00 1.00 O ATOM 5 CB ALA A 1 5.941 1.628 -14.396 1.00 1.00 C ATOM 0 H1 ALA A 1 7.978 2.019 -16.829 1.00 1.00 H new ATOM 0 H2 ALA A 1 6.873 3.308 -16.856 1.00 1.00 H new ATOM 0 H3 ALA A 1 7.686 2.917 -15.418 1.00 1.00 H new ATOM 0 HA ALA A 1 6.440 0.582 -16.189 1.00 1.00 H new ATOM 0 HB1 ALA A 1 5.136 0.942 -14.133 1.00 1.00 H new ATOM 0 HB2 ALA A 1 6.857 1.323 -13.889 1.00 1.00 H new ATOM 0 HB3 ALA A 1 5.674 2.638 -14.086 1.00 1.00 H new ATOM 13 N PRO A 2 3.869 1.050 -16.760 1.00 1.00 N ATOM 14 CA PRO A 2 2.625 1.280 -17.494 1.00 1.00 C ATOM 15 C PRO A 2 1.738 2.289 -16.758 1.00 1.00 C ATOM 16 O PRO A 2 0.952 1.901 -15.898 1.00 1.00 O ATOM 17 CB PRO A 2 1.955 -0.092 -17.636 1.00 1.00 C ATOM 18 CG PRO A 2 2.503 -0.914 -16.470 1.00 1.00 C ATOM 19 CD PRO A 2 3.816 -0.235 -16.074 1.00 1.00 C ATOM 0 HA PRO A 2 2.808 1.714 -18.477 1.00 1.00 H new ATOM 0 HB2 PRO A 2 0.869 -0.009 -17.587 1.00 1.00 H new ATOM 0 HB3 PRO A 2 2.196 -0.553 -18.594 1.00 1.00 H new ATOM 0 HG2 PRO A 2 1.801 -0.929 -15.636 1.00 1.00 H new ATOM 0 HG3 PRO A 2 2.670 -1.950 -16.764 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.865 -0.095 -14.994 1.00 1.00 H new ATOM 0 HD3 PRO A 2 4.668 -0.855 -16.354 1.00 1.00 H new ATOM 27 N LEU A 3 1.896 3.574 -17.106 1.00 1.00 N ATOM 28 CA LEU A 3 1.204 4.730 -16.526 1.00 1.00 C ATOM 29 C LEU A 3 1.166 4.645 -14.986 1.00 1.00 C ATOM 30 O LEU A 3 0.180 4.201 -14.393 1.00 1.00 O ATOM 31 CB LEU A 3 -0.179 4.902 -17.210 1.00 1.00 C ATOM 32 CG LEU A 3 -0.590 6.353 -17.523 1.00 1.00 C ATOM 33 CD1 LEU A 3 -0.567 7.259 -16.288 1.00 1.00 C ATOM 34 CD2 LEU A 3 0.262 6.951 -18.656 1.00 1.00 C ATOM 0 H LEU A 3 2.547 3.848 -17.842 1.00 1.00 H new ATOM 0 HA LEU A 3 1.759 5.646 -16.729 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -0.177 4.335 -18.141 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -0.940 4.458 -16.568 1.00 1.00 H new ATOM 0 HG LEU A 3 -1.625 6.306 -17.861 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -0.866 8.268 -16.571 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -1.259 6.872 -15.540 1.00 1.00 H new ATOM 0 HD13 LEU A 3 0.440 7.282 -15.872 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -0.057 7.975 -18.849 1.00 1.00 H new ATOM 0 HD22 LEU A 3 1.312 6.947 -18.363 1.00 1.00 H new ATOM 0 HD23 LEU A 3 0.135 6.355 -19.560 1.00 1.00 H new ATOM 46 N GLU A 4 2.281 5.039 -14.347 1.00 1.00 N ATOM 47 CA GLU A 4 2.455 4.950 -12.891 1.00 1.00 C ATOM 48 C GLU A 4 1.244 5.538 -12.141 1.00 1.00 C ATOM 49 O GLU A 4 0.639 6.505 -12.608 1.00 1.00 O ATOM 50 CB GLU A 4 3.755 5.654 -12.419 1.00 1.00 C ATOM 51 CG GLU A 4 4.943 4.707 -12.133 1.00 1.00 C ATOM 52 CD GLU A 4 5.558 4.853 -10.718 1.00 1.00 C ATOM 53 OE1 GLU A 4 5.848 6.008 -10.299 1.00 1.00 O ATOM 54 OE2 GLU A 4 5.798 3.792 -10.092 1.00 1.00 O ATOM 0 H GLU A 4 3.090 5.430 -14.831 1.00 1.00 H new ATOM 0 HA GLU A 4 2.534 3.889 -12.654 1.00 1.00 H new ATOM 0 HB2 GLU A 4 4.058 6.373 -13.180 1.00 1.00 H new ATOM 0 HB3 GLU A 4 3.536 6.221 -11.514 1.00 1.00 H new ATOM 0 HG2 GLU A 4 4.610 3.678 -12.266 1.00 1.00 H new ATOM 0 HG3 GLU A 4 5.722 4.888 -12.874 1.00 1.00 H new ATOM 61 N PRO A 5 0.917 5.014 -10.944 1.00 1.00 N ATOM 62 CA PRO A 5 -0.237 5.474 -10.171 1.00 1.00 C ATOM 63 C PRO A 5 -0.089 6.903 -9.623 1.00 1.00 C ATOM 64 O PRO A 5 -1.043 7.408 -9.038 1.00 1.00 O ATOM 65 CB PRO A 5 -0.429 4.437 -9.062 1.00 1.00 C ATOM 66 CG PRO A 5 0.923 3.736 -8.916 1.00 1.00 C ATOM 67 CD PRO A 5 1.669 3.999 -10.221 1.00 1.00 C ATOM 0 HA PRO A 5 -1.116 5.547 -10.811 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -0.727 4.913 -8.128 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -1.213 3.726 -9.322 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.477 4.128 -8.063 1.00 1.00 H new ATOM 0 HG3 PRO A 5 0.793 2.667 -8.748 1.00 1.00 H new ATOM 0 HD2 PRO A 5 2.685 4.340 -10.022 1.00 1.00 H new ATOM 0 HD3 PRO A 5 1.749 3.086 -10.810 1.00 1.00 H new ATOM 75 N GLU A 6 1.070 7.540 -9.859 1.00 1.00 N ATOM 76 CA GLU A 6 1.444 8.910 -9.506 1.00 1.00 C ATOM 77 C GLU A 6 1.605 9.074 -7.988 1.00 1.00 C ATOM 78 O GLU A 6 0.655 8.948 -7.217 1.00 1.00 O ATOM 79 CB GLU A 6 0.489 9.937 -10.157 1.00 1.00 C ATOM 80 CG GLU A 6 1.234 11.000 -10.984 1.00 1.00 C ATOM 81 CD GLU A 6 0.316 11.753 -11.968 1.00 1.00 C ATOM 82 OE1 GLU A 6 -0.831 12.078 -11.586 1.00 1.00 O ATOM 83 OE2 GLU A 6 0.783 12.056 -13.091 1.00 1.00 O ATOM 0 H GLU A 6 1.831 7.064 -10.343 1.00 1.00 H new ATOM 0 HA GLU A 6 2.428 9.122 -9.924 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -0.218 9.413 -10.800 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -0.093 10.430 -9.378 1.00 1.00 H new ATOM 0 HG2 GLU A 6 1.699 11.718 -10.308 1.00 1.00 H new ATOM 0 HG3 GLU A 6 2.038 10.520 -11.541 1.00 1.00 H new ATOM 90 N TYR A 7 2.845 9.304 -7.544 1.00 1.00 N ATOM 91 CA TYR A 7 3.176 9.317 -6.122 1.00 1.00 C ATOM 92 C TYR A 7 4.240 10.390 -5.837 1.00 1.00 C ATOM 93 O TYR A 7 5.435 10.091 -5.850 1.00 1.00 O ATOM 94 CB TYR A 7 3.578 7.896 -5.683 1.00 1.00 C ATOM 95 CG TYR A 7 3.329 7.634 -4.211 1.00 1.00 C ATOM 96 CD1 TYR A 7 4.221 8.139 -3.246 1.00 1.00 C ATOM 97 CD2 TYR A 7 2.188 6.911 -3.808 1.00 1.00 C ATOM 98 CE1 TYR A 7 3.960 7.929 -1.882 1.00 1.00 C ATOM 99 CE2 TYR A 7 1.925 6.701 -2.441 1.00 1.00 C ATOM 100 CZ TYR A 7 2.812 7.227 -1.475 1.00 1.00 C ATOM 101 OH TYR A 7 2.557 7.116 -0.146 1.00 1.00 O ATOM 0 H TYR A 7 3.639 9.485 -8.158 1.00 1.00 H new ATOM 0 HA TYR A 7 2.310 9.595 -5.521 1.00 1.00 H new ATOM 0 HB2 TYR A 7 3.022 7.169 -6.274 1.00 1.00 H new ATOM 0 HB3 TYR A 7 4.635 7.741 -5.899 1.00 1.00 H new ATOM 0 HD1 TYR A 7 5.101 8.685 -3.553 1.00 1.00 H new ATOM 0 HD2 TYR A 7 1.512 6.516 -4.552 1.00 1.00 H new ATOM 0 HE1 TYR A 7 4.646 8.310 -1.140 1.00 1.00 H new ATOM 0 HE2 TYR A 7 1.053 6.143 -2.133 1.00 1.00 H new ATOM 0 HH TYR A 7 1.630 7.379 0.032 1.00 1.00 H new ATOM 111 N PRO A 8 3.840 11.655 -5.592 1.00 1.00 N ATOM 112 CA PRO A 8 4.778 12.725 -5.248 1.00 1.00 C ATOM 113 C PRO A 8 5.384 12.573 -3.839 1.00 1.00 C ATOM 114 O PRO A 8 6.343 13.267 -3.514 1.00 1.00 O ATOM 115 CB PRO A 8 4.002 14.033 -5.424 1.00 1.00 C ATOM 116 CG PRO A 8 2.522 13.651 -5.345 1.00 1.00 C ATOM 117 CD PRO A 8 2.466 12.143 -5.595 1.00 1.00 C ATOM 0 HA PRO A 8 5.651 12.696 -5.901 1.00 1.00 H new ATOM 0 HB2 PRO A 8 4.263 14.751 -4.646 1.00 1.00 H new ATOM 0 HB3 PRO A 8 4.235 14.501 -6.381 1.00 1.00 H new ATOM 0 HG2 PRO A 8 2.105 13.901 -4.369 1.00 1.00 H new ATOM 0 HG3 PRO A 8 1.938 14.193 -6.089 1.00 1.00 H new ATOM 0 HD2 PRO A 8 1.879 11.646 -4.822 1.00 1.00 H new ATOM 0 HD3 PRO A 8 1.983 11.929 -6.549 1.00 1.00 H new ATOM 125 N GLY A 9 4.878 11.630 -3.032 1.00 1.00 N ATOM 126 CA GLY A 9 5.372 11.341 -1.689 1.00 1.00 C ATOM 127 C GLY A 9 4.842 12.336 -0.665 1.00 1.00 C ATOM 128 O GLY A 9 5.601 13.129 -0.116 1.00 1.00 O ATOM 0 H GLY A 9 4.096 11.036 -3.306 1.00 1.00 H new ATOM 0 HA2 GLY A 9 5.076 10.332 -1.402 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.462 11.366 -1.689 1.00 1.00 H new ATOM 132 N ASP A 10 3.536 12.257 -0.401 1.00 1.00 N ATOM 133 CA ASP A 10 2.795 13.119 0.515 1.00 1.00 C ATOM 134 C ASP A 10 1.745 12.301 1.281 1.00 1.00 C ATOM 135 O ASP A 10 1.401 11.191 0.876 1.00 1.00 O ATOM 136 CB ASP A 10 2.125 14.254 -0.285 1.00 1.00 C ATOM 137 CG ASP A 10 3.002 15.507 -0.313 1.00 1.00 C ATOM 138 OD1 ASP A 10 3.066 16.165 0.752 1.00 1.00 O ATOM 139 OD2 ASP A 10 3.604 15.781 -1.376 1.00 1.00 O ATOM 0 H ASP A 10 2.941 11.556 -0.842 1.00 1.00 H new ATOM 0 HA ASP A 10 3.481 13.554 1.242 1.00 1.00 H new ATOM 0 HB2 ASP A 10 1.933 13.919 -1.304 1.00 1.00 H new ATOM 0 HB3 ASP A 10 1.159 14.494 0.159 1.00 1.00 H new ATOM 144 N ASN A 11 1.195 12.905 2.344 1.00 1.00 N ATOM 145 CA ASN A 11 0.107 12.379 3.175 1.00 1.00 C ATOM 146 C ASN A 11 0.467 11.058 3.884 1.00 1.00 C ATOM 147 O ASN A 11 0.170 9.973 3.386 1.00 1.00 O ATOM 148 CB ASN A 11 -1.182 12.291 2.335 1.00 1.00 C ATOM 149 CG ASN A 11 -2.420 12.567 3.165 1.00 1.00 C ATOM 150 OD1 ASN A 11 -2.752 13.706 3.450 1.00 1.00 O ATOM 151 ND2 ASN A 11 -3.148 11.549 3.570 1.00 1.00 N ATOM 0 H ASN A 11 1.514 13.820 2.662 1.00 1.00 H new ATOM 0 HA ASN A 11 -0.068 13.077 3.994 1.00 1.00 H new ATOM 0 HB2 ASN A 11 -1.129 13.006 1.514 1.00 1.00 H new ATOM 0 HB3 ASN A 11 -1.258 11.299 1.890 1.00 1.00 H new ATOM 0 HD21 ASN A 11 -3.990 11.712 4.122 1.00 1.00 H new ATOM 0 HD22 ASN A 11 -2.871 10.597 3.332 1.00 1.00 H new ATOM 158 N ALA A 12 1.075 11.177 5.075 1.00 1.00 N ATOM 159 CA ALA A 12 1.827 10.118 5.756 1.00 1.00 C ATOM 160 C ALA A 12 3.076 9.691 4.960 1.00 1.00 C ATOM 161 O ALA A 12 3.222 9.951 3.767 1.00 1.00 O ATOM 162 CB ALA A 12 0.906 8.952 6.179 1.00 1.00 C ATOM 0 H ALA A 12 1.054 12.047 5.607 1.00 1.00 H new ATOM 0 HA ALA A 12 2.220 10.526 6.687 1.00 1.00 H new ATOM 0 HB1 ALA A 12 1.497 8.185 6.681 1.00 1.00 H new ATOM 0 HB2 ALA A 12 0.139 9.322 6.859 1.00 1.00 H new ATOM 0 HB3 ALA A 12 0.431 8.524 5.296 1.00 1.00 H new ATOM 168 N THR A 13 4.032 9.077 5.658 1.00 1.00 N ATOM 169 CA THR A 13 5.277 8.579 5.070 1.00 1.00 C ATOM 170 C THR A 13 4.996 7.537 3.969 1.00 1.00 C ATOM 171 O THR A 13 4.009 6.795 4.054 1.00 1.00 O ATOM 172 CB THR A 13 6.155 7.976 6.178 1.00 1.00 C ATOM 173 OG1 THR A 13 5.395 7.063 6.936 1.00 1.00 O ATOM 174 CG2 THR A 13 6.680 9.024 7.161 1.00 1.00 C ATOM 0 H THR A 13 3.963 8.909 6.662 1.00 1.00 H new ATOM 0 HA THR A 13 5.804 9.411 4.603 1.00 1.00 H new ATOM 0 HB THR A 13 6.998 7.504 5.673 1.00 1.00 H new ATOM 0 HG1 THR A 13 5.955 6.677 7.641 1.00 1.00 H new ATOM 0 HG21 THR A 13 7.293 8.537 7.919 1.00 1.00 H new ATOM 0 HG22 THR A 13 7.282 9.757 6.624 1.00 1.00 H new ATOM 0 HG23 THR A 13 5.840 9.526 7.641 1.00 1.00 H new ATOM 182 N PRO A 14 5.875 7.403 2.953 1.00 1.00 N ATOM 183 CA PRO A 14 5.646 6.474 1.844 1.00 1.00 C ATOM 184 C PRO A 14 5.705 4.999 2.276 1.00 1.00 C ATOM 185 O PRO A 14 5.261 4.122 1.540 1.00 1.00 O ATOM 186 CB PRO A 14 6.690 6.826 0.777 1.00 1.00 C ATOM 187 CG PRO A 14 7.794 7.585 1.513 1.00 1.00 C ATOM 188 CD PRO A 14 7.155 8.086 2.811 1.00 1.00 C ATOM 0 HA PRO A 14 4.636 6.584 1.449 1.00 1.00 H new ATOM 0 HB2 PRO A 14 7.083 5.927 0.302 1.00 1.00 H new ATOM 0 HB3 PRO A 14 6.253 7.438 -0.012 1.00 1.00 H new ATOM 0 HG2 PRO A 14 8.645 6.936 1.720 1.00 1.00 H new ATOM 0 HG3 PRO A 14 8.166 8.416 0.913 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.800 7.875 3.664 1.00 1.00 H new ATOM 0 HD3 PRO A 14 7.013 9.166 2.778 1.00 1.00 H new ATOM 196 N GLU A 15 6.191 4.719 3.493 1.00 1.00 N ATOM 197 CA GLU A 15 6.146 3.399 4.125 1.00 1.00 C ATOM 198 C GLU A 15 4.744 3.019 4.640 1.00 1.00 C ATOM 199 O GLU A 15 4.479 1.835 4.847 1.00 1.00 O ATOM 200 CB GLU A 15 7.187 3.330 5.262 1.00 1.00 C ATOM 201 CG GLU A 15 6.880 4.287 6.424 1.00 1.00 C ATOM 202 CD GLU A 15 7.740 4.042 7.667 1.00 1.00 C ATOM 203 OE1 GLU A 15 7.341 3.191 8.491 1.00 1.00 O ATOM 204 OE2 GLU A 15 8.743 4.772 7.829 1.00 1.00 O ATOM 0 H GLU A 15 6.638 5.425 4.078 1.00 1.00 H new ATOM 0 HA GLU A 15 6.392 2.666 3.357 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.232 2.310 5.643 1.00 1.00 H new ATOM 0 HB3 GLU A 15 8.172 3.564 4.858 1.00 1.00 H new ATOM 0 HG2 GLU A 15 7.028 5.313 6.087 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.829 4.189 6.695 1.00 1.00 H new ATOM 211 N GLN A 16 3.837 3.990 4.838 1.00 1.00 N ATOM 212 CA GLN A 16 2.494 3.734 5.359 1.00 1.00 C ATOM 213 C GLN A 16 1.571 3.239 4.244 1.00 1.00 C ATOM 214 O GLN A 16 0.938 2.192 4.364 1.00 1.00 O ATOM 215 CB GLN A 16 1.928 5.013 5.997 1.00 1.00 C ATOM 216 CG GLN A 16 0.725 4.715 6.912 1.00 1.00 C ATOM 217 CD GLN A 16 1.074 4.945 8.380 1.00 1.00 C ATOM 218 OE1 GLN A 16 1.254 6.067 8.827 1.00 1.00 O ATOM 219 NE2 GLN A 16 1.202 3.895 9.171 1.00 1.00 N ATOM 0 H GLN A 16 4.020 4.974 4.640 1.00 1.00 H new ATOM 0 HA GLN A 16 2.555 2.957 6.121 1.00 1.00 H new ATOM 0 HB2 GLN A 16 2.709 5.507 6.574 1.00 1.00 H new ATOM 0 HB3 GLN A 16 1.624 5.706 5.213 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.114 5.351 6.632 1.00 1.00 H new ATOM 0 HG3 GLN A 16 0.404 3.683 6.770 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.052 2.956 8.801 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.450 4.023 10.152 1.00 1.00 H new ATOM 228 N MET A 17 1.515 3.983 3.134 1.00 1.00 N ATOM 229 CA MET A 17 0.712 3.624 1.964 1.00 1.00 C ATOM 230 C MET A 17 1.182 2.310 1.329 1.00 1.00 C ATOM 231 O MET A 17 0.360 1.579 0.782 1.00 1.00 O ATOM 232 CB MET A 17 0.737 4.785 0.960 1.00 1.00 C ATOM 233 CG MET A 17 -0.654 5.122 0.412 1.00 1.00 C ATOM 234 SD MET A 17 -1.138 4.166 -1.050 1.00 1.00 S ATOM 235 CE MET A 17 -2.775 3.566 -0.563 1.00 1.00 C ATOM 0 H MET A 17 2.030 4.857 3.023 1.00 1.00 H new ATOM 0 HA MET A 17 -0.317 3.453 2.281 1.00 1.00 H new ATOM 0 HB2 MET A 17 1.157 5.668 1.442 1.00 1.00 H new ATOM 0 HB3 MET A 17 1.398 4.529 0.131 1.00 1.00 H new ATOM 0 HG2 MET A 17 -1.390 4.957 1.199 1.00 1.00 H new ATOM 0 HG3 MET A 17 -0.686 6.183 0.164 1.00 1.00 H new ATOM 0 HE1 MET A 17 -2.990 2.633 -1.084 1.00 1.00 H new ATOM 0 HE2 MET A 17 -2.794 3.394 0.513 1.00 1.00 H new ATOM 0 HE3 MET A 17 -3.528 4.310 -0.825 1.00 1.00 H new ATOM 245 N ALA A 18 2.464 1.954 1.503 1.00 1.00 N ATOM 246 CA ALA A 18 3.022 0.668 1.097 1.00 1.00 C ATOM 247 C ALA A 18 2.221 -0.520 1.661 1.00 1.00 C ATOM 248 O ALA A 18 2.014 -1.506 0.955 1.00 1.00 O ATOM 249 CB ALA A 18 4.494 0.609 1.529 1.00 1.00 C ATOM 0 H ALA A 18 3.151 2.569 1.939 1.00 1.00 H new ATOM 0 HA ALA A 18 2.956 0.585 0.012 1.00 1.00 H new ATOM 0 HB1 ALA A 18 4.923 -0.348 1.231 1.00 1.00 H new ATOM 0 HB2 ALA A 18 5.046 1.418 1.051 1.00 1.00 H new ATOM 0 HB3 ALA A 18 4.560 0.715 2.612 1.00 1.00 H new ATOM 255 N GLN A 19 1.715 -0.413 2.900 1.00 1.00 N ATOM 256 CA GLN A 19 0.872 -1.428 3.539 1.00 1.00 C ATOM 257 C GLN A 19 -0.460 -1.595 2.795 1.00 1.00 C ATOM 258 O GLN A 19 -0.781 -2.697 2.353 1.00 1.00 O ATOM 259 CB GLN A 19 0.660 -1.063 5.026 1.00 1.00 C ATOM 260 CG GLN A 19 1.293 -2.069 5.999 1.00 1.00 C ATOM 261 CD GLN A 19 0.286 -3.105 6.478 1.00 1.00 C ATOM 262 OE1 GLN A 19 -0.504 -2.860 7.374 1.00 1.00 O ATOM 263 NE2 GLN A 19 0.260 -4.296 5.914 1.00 1.00 N ATOM 0 H GLN A 19 1.886 0.398 3.494 1.00 1.00 H new ATOM 0 HA GLN A 19 1.378 -2.392 3.490 1.00 1.00 H new ATOM 0 HB2 GLN A 19 1.080 -0.075 5.213 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -0.409 -0.998 5.227 1.00 1.00 H new ATOM 0 HG2 GLN A 19 2.127 -2.572 5.510 1.00 1.00 H new ATOM 0 HG3 GLN A 19 1.702 -1.536 6.857 1.00 1.00 H new ATOM 0 HE21 GLN A 19 0.913 -4.519 5.163 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -0.413 -4.995 6.229 1.00 1.00 H new ATOM 272 N TYR A 20 -1.215 -0.503 2.621 1.00 1.00 N ATOM 273 CA TYR A 20 -2.471 -0.485 1.865 1.00 1.00 C ATOM 274 C TYR A 20 -2.287 -0.924 0.407 1.00 1.00 C ATOM 275 O TYR A 20 -3.103 -1.681 -0.112 1.00 1.00 O ATOM 276 CB TYR A 20 -3.080 0.921 1.894 1.00 1.00 C ATOM 277 CG TYR A 20 -4.154 1.136 2.940 1.00 1.00 C ATOM 278 CD1 TYR A 20 -3.814 1.290 4.298 1.00 1.00 C ATOM 279 CD2 TYR A 20 -5.502 1.208 2.537 1.00 1.00 C ATOM 280 CE1 TYR A 20 -4.825 1.534 5.249 1.00 1.00 C ATOM 281 CE2 TYR A 20 -6.513 1.458 3.481 1.00 1.00 C ATOM 282 CZ TYR A 20 -6.174 1.628 4.841 1.00 1.00 C ATOM 283 OH TYR A 20 -7.145 1.896 5.755 1.00 1.00 O ATOM 0 H TYR A 20 -0.965 0.407 3.008 1.00 1.00 H new ATOM 0 HA TYR A 20 -3.140 -1.199 2.345 1.00 1.00 H new ATOM 0 HB2 TYR A 20 -2.281 1.643 2.063 1.00 1.00 H new ATOM 0 HB3 TYR A 20 -3.502 1.137 0.913 1.00 1.00 H new ATOM 0 HD1 TYR A 20 -2.782 1.221 4.609 1.00 1.00 H new ATOM 0 HD2 TYR A 20 -5.760 1.070 1.497 1.00 1.00 H new ATOM 0 HE1 TYR A 20 -4.568 1.649 6.292 1.00 1.00 H new ATOM 0 HE2 TYR A 20 -7.545 1.520 3.167 1.00 1.00 H new ATOM 0 HH TYR A 20 -8.016 1.927 5.307 1.00 1.00 H new ATOM 293 N ALA A 21 -1.225 -0.470 -0.264 1.00 1.00 N ATOM 294 CA ALA A 21 -0.914 -0.877 -1.631 1.00 1.00 C ATOM 295 C ALA A 21 -0.664 -2.394 -1.716 1.00 1.00 C ATOM 296 O ALA A 21 -1.179 -3.060 -2.617 1.00 1.00 O ATOM 297 CB ALA A 21 0.286 -0.066 -2.138 1.00 1.00 C ATOM 0 H ALA A 21 -0.556 0.192 0.130 1.00 1.00 H new ATOM 0 HA ALA A 21 -1.769 -0.669 -2.275 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.523 -0.366 -3.159 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.041 0.996 -2.119 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.147 -0.251 -1.496 1.00 1.00 H new ATOM 303 N ALA A 22 0.076 -2.953 -0.746 1.00 1.00 N ATOM 304 CA ALA A 22 0.262 -4.395 -0.627 1.00 1.00 C ATOM 305 C ALA A 22 -1.050 -5.123 -0.294 1.00 1.00 C ATOM 306 O ALA A 22 -1.266 -6.216 -0.809 1.00 1.00 O ATOM 307 CB ALA A 22 1.343 -4.699 0.418 1.00 1.00 C ATOM 0 H ALA A 22 0.558 -2.414 -0.027 1.00 1.00 H new ATOM 0 HA ALA A 22 0.590 -4.771 -1.596 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.476 -5.778 0.501 1.00 1.00 H new ATOM 0 HB2 ALA A 22 2.283 -4.240 0.113 1.00 1.00 H new ATOM 0 HB3 ALA A 22 1.039 -4.296 1.384 1.00 1.00 H new ATOM 313 N GLU A 23 -1.927 -4.525 0.528 1.00 1.00 N ATOM 314 CA GLU A 23 -3.263 -5.042 0.845 1.00 1.00 C ATOM 315 C GLU A 23 -4.157 -5.099 -0.400 1.00 1.00 C ATOM 316 O GLU A 23 -4.708 -6.160 -0.690 1.00 1.00 O ATOM 317 CB GLU A 23 -3.917 -4.233 1.977 1.00 1.00 C ATOM 318 CG GLU A 23 -5.208 -4.889 2.500 1.00 1.00 C ATOM 319 CD GLU A 23 -6.447 -4.049 2.166 1.00 1.00 C ATOM 320 OE1 GLU A 23 -6.777 -3.160 2.983 1.00 1.00 O ATOM 321 OE2 GLU A 23 -7.040 -4.300 1.095 1.00 1.00 O ATOM 0 H GLU A 23 -1.719 -3.646 1.002 1.00 1.00 H new ATOM 0 HA GLU A 23 -3.144 -6.066 1.200 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -3.209 -4.126 2.799 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -4.143 -3.229 1.618 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -5.314 -5.882 2.064 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -5.138 -5.020 3.580 1.00 1.00 H new ATOM 328 N LEU A 24 -4.236 -4.010 -1.178 1.00 1.00 N ATOM 329 CA LEU A 24 -4.993 -3.939 -2.430 1.00 1.00 C ATOM 330 C LEU A 24 -4.646 -5.112 -3.351 1.00 1.00 C ATOM 331 O LEU A 24 -5.560 -5.783 -3.817 1.00 1.00 O ATOM 332 CB LEU A 24 -4.753 -2.586 -3.120 1.00 1.00 C ATOM 333 CG LEU A 24 -5.416 -2.465 -4.517 1.00 1.00 C ATOM 334 CD1 LEU A 24 -6.672 -1.592 -4.492 1.00 1.00 C ATOM 335 CD2 LEU A 24 -4.417 -1.942 -5.554 1.00 1.00 C ATOM 0 H LEU A 24 -3.764 -3.136 -0.947 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.055 -4.016 -2.199 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -5.132 -1.790 -2.479 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.680 -2.428 -3.223 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.727 -3.469 -4.806 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.098 -1.539 -5.494 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.403 -2.025 -3.809 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -6.411 -0.589 -4.155 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.907 -1.866 -6.525 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -4.059 -0.958 -5.250 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.574 -2.629 -5.625 1.00 1.00 H new ATOM 347 N ARG A 25 -3.357 -5.410 -3.581 1.00 1.00 N ATOM 348 CA ARG A 25 -2.932 -6.590 -4.362 1.00 1.00 C ATOM 349 C ARG A 25 -3.663 -7.871 -3.933 1.00 1.00 C ATOM 350 O ARG A 25 -4.066 -8.666 -4.781 1.00 1.00 O ATOM 351 CB ARG A 25 -1.400 -6.739 -4.282 1.00 1.00 C ATOM 352 CG ARG A 25 -0.900 -8.127 -4.720 1.00 1.00 C ATOM 353 CD ARG A 25 0.630 -8.207 -4.723 1.00 1.00 C ATOM 354 NE ARG A 25 1.090 -9.609 -4.775 1.00 1.00 N ATOM 355 CZ ARG A 25 2.281 -10.089 -4.423 1.00 1.00 C ATOM 356 NH1 ARG A 25 3.266 -9.327 -4.001 1.00 1.00 N ATOM 357 NH2 ARG A 25 2.511 -11.378 -4.484 1.00 1.00 N ATOM 0 H ARG A 25 -2.582 -4.845 -3.234 1.00 1.00 H new ATOM 0 HA ARG A 25 -3.211 -6.430 -5.403 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -0.935 -5.978 -4.909 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -1.076 -6.550 -3.258 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -1.302 -8.886 -4.049 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -1.277 -8.351 -5.718 1.00 1.00 H new ATOM 0 HD2 ARG A 25 1.024 -7.660 -5.580 1.00 1.00 H new ATOM 0 HD3 ARG A 25 1.024 -7.725 -3.828 1.00 1.00 H new ATOM 0 HE ARG A 25 0.415 -10.291 -5.122 1.00 1.00 H new ATOM 0 HH11 ARG A 25 3.136 -8.318 -3.931 1.00 1.00 H new ATOM 0 HH12 ARG A 25 4.160 -9.745 -3.743 1.00 1.00 H new ATOM 0 HH21 ARG A 25 1.778 -12.012 -4.801 1.00 1.00 H new ATOM 0 HH22 ARG A 25 3.423 -11.747 -4.215 1.00 1.00 H new ATOM 371 N ARG A 26 -3.826 -8.072 -2.623 1.00 1.00 N ATOM 372 CA ARG A 26 -4.523 -9.220 -2.027 1.00 1.00 C ATOM 373 C ARG A 26 -6.034 -9.072 -2.205 1.00 1.00 C ATOM 374 O ARG A 26 -6.704 -10.020 -2.611 1.00 1.00 O ATOM 375 CB ARG A 26 -4.167 -9.383 -0.534 1.00 1.00 C ATOM 376 CG ARG A 26 -2.765 -8.861 -0.174 1.00 1.00 C ATOM 377 CD ARG A 26 -2.185 -9.470 1.095 1.00 1.00 C ATOM 378 NE ARG A 26 -1.813 -10.872 0.851 1.00 1.00 N ATOM 379 CZ ARG A 26 -1.432 -11.768 1.746 1.00 1.00 C ATOM 380 NH1 ARG A 26 -1.301 -11.450 3.012 1.00 1.00 N ATOM 381 NH2 ARG A 26 -1.178 -13.000 1.371 1.00 1.00 N ATOM 0 H ARG A 26 -3.466 -7.422 -1.924 1.00 1.00 H new ATOM 0 HA ARG A 26 -4.193 -10.120 -2.546 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -4.907 -8.855 0.067 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -4.233 -10.438 -0.267 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -2.089 -9.064 -1.004 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -2.810 -7.778 -0.057 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -1.311 -8.903 1.415 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -2.915 -9.413 1.903 1.00 1.00 H new ATOM 0 HE ARG A 26 -1.853 -11.189 -0.118 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -1.494 -10.497 3.321 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.006 -12.155 3.687 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -1.275 -13.265 0.391 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -0.884 -13.692 2.060 1.00 1.00 H new ATOM 395 N TYR A 27 -6.542 -7.864 -1.941 1.00 1.00 N ATOM 396 CA TYR A 27 -7.937 -7.479 -2.107 1.00 1.00 C ATOM 397 C TYR A 27 -8.440 -7.777 -3.513 1.00 1.00 C ATOM 398 O TYR A 27 -9.465 -8.424 -3.620 1.00 1.00 O ATOM 399 CB TYR A 27 -8.140 -5.998 -1.759 1.00 1.00 C ATOM 400 CG TYR A 27 -9.515 -5.691 -1.196 1.00 1.00 C ATOM 401 CD1 TYR A 27 -9.888 -6.262 0.036 1.00 1.00 C ATOM 402 CD2 TYR A 27 -10.401 -4.818 -1.862 1.00 1.00 C ATOM 403 CE1 TYR A 27 -11.132 -5.962 0.611 1.00 1.00 C ATOM 404 CE2 TYR A 27 -11.643 -4.492 -1.275 1.00 1.00 C ATOM 405 CZ TYR A 27 -12.003 -5.058 -0.029 1.00 1.00 C ATOM 406 OH TYR A 27 -13.163 -4.714 0.594 1.00 1.00 O ATOM 0 H TYR A 27 -5.964 -7.100 -1.592 1.00 1.00 H new ATOM 0 HA TYR A 27 -8.526 -8.080 -1.414 1.00 1.00 H new ATOM 0 HB2 TYR A 27 -7.384 -5.696 -1.034 1.00 1.00 H new ATOM 0 HB3 TYR A 27 -7.981 -5.397 -2.655 1.00 1.00 H new ATOM 0 HD1 TYR A 27 -9.212 -6.935 0.542 1.00 1.00 H new ATOM 0 HD2 TYR A 27 -10.129 -4.400 -2.820 1.00 1.00 H new ATOM 0 HE1 TYR A 27 -11.422 -6.424 1.543 1.00 1.00 H new ATOM 0 HE2 TYR A 27 -12.317 -3.812 -1.776 1.00 1.00 H new ATOM 0 HH TYR A 27 -13.661 -4.082 0.034 1.00 1.00 H new ATOM 416 N ILE A 28 -7.705 -7.387 -4.564 1.00 1.00 N ATOM 417 CA ILE A 28 -7.993 -7.658 -5.983 1.00 1.00 C ATOM 418 C ILE A 28 -8.280 -9.149 -6.196 1.00 1.00 C ATOM 419 O ILE A 28 -9.349 -9.509 -6.694 1.00 1.00 O ATOM 420 CB ILE A 28 -6.809 -7.171 -6.856 1.00 1.00 C ATOM 421 CG1 ILE A 28 -6.705 -5.628 -6.829 1.00 1.00 C ATOM 422 CG2 ILE A 28 -6.892 -7.613 -8.330 1.00 1.00 C ATOM 423 CD1 ILE A 28 -5.391 -5.118 -7.434 1.00 1.00 C ATOM 0 H ILE A 28 -6.849 -6.846 -4.443 1.00 1.00 H new ATOM 0 HA ILE A 28 -8.886 -7.110 -6.285 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.928 -7.637 -6.415 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.544 -5.201 -7.378 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -6.787 -5.279 -5.800 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -6.027 -7.232 -8.873 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -6.903 -8.702 -8.383 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -7.804 -7.218 -8.777 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.369 -4.029 -7.390 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.550 -5.521 -6.870 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.319 -5.441 -8.473 1.00 1.00 H new ATOM 435 N ASN A 29 -7.349 -10.020 -5.788 1.00 1.00 N ATOM 436 CA ASN A 29 -7.537 -11.467 -5.863 1.00 1.00 C ATOM 437 C ASN A 29 -8.791 -11.910 -5.087 1.00 1.00 C ATOM 438 O ASN A 29 -9.566 -12.727 -5.579 1.00 1.00 O ATOM 439 CB ASN A 29 -6.262 -12.168 -5.361 1.00 1.00 C ATOM 440 CG ASN A 29 -6.185 -13.606 -5.849 1.00 1.00 C ATOM 441 OD1 ASN A 29 -5.453 -13.927 -6.768 1.00 1.00 O ATOM 442 ND2 ASN A 29 -6.941 -14.509 -5.261 1.00 1.00 N ATOM 0 H ASN A 29 -6.449 -9.739 -5.399 1.00 1.00 H new ATOM 0 HA ASN A 29 -7.705 -11.758 -6.900 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -5.385 -11.619 -5.704 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -6.242 -12.151 -4.271 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -6.914 -15.479 -5.575 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -7.553 -14.239 -4.491 1.00 1.00 H new ATOM 449 N MET A 30 -9.014 -11.345 -3.893 1.00 1.00 N ATOM 450 CA MET A 30 -10.189 -11.591 -3.045 1.00 1.00 C ATOM 451 C MET A 30 -11.497 -10.928 -3.544 1.00 1.00 C ATOM 452 O MET A 30 -12.580 -11.213 -3.033 1.00 1.00 O ATOM 453 CB MET A 30 -9.864 -11.110 -1.622 1.00 1.00 C ATOM 454 CG MET A 30 -10.600 -11.945 -0.567 1.00 1.00 C ATOM 455 SD MET A 30 -9.631 -13.316 0.123 1.00 1.00 S ATOM 456 CE MET A 30 -8.441 -12.363 1.109 1.00 1.00 C ATOM 0 H MET A 30 -8.360 -10.682 -3.477 1.00 1.00 H new ATOM 0 HA MET A 30 -10.385 -12.663 -3.077 1.00 1.00 H new ATOM 0 HB2 MET A 30 -8.789 -11.172 -1.452 1.00 1.00 H new ATOM 0 HB3 MET A 30 -10.143 -10.062 -1.518 1.00 1.00 H new ATOM 0 HG2 MET A 30 -10.907 -11.289 0.247 1.00 1.00 H new ATOM 0 HG3 MET A 30 -11.510 -12.348 -1.012 1.00 1.00 H new ATOM 0 HE1 MET A 30 -7.961 -13.020 1.834 1.00 1.00 H new ATOM 0 HE2 MET A 30 -7.685 -11.934 0.452 1.00 1.00 H new ATOM 0 HE3 MET A 30 -8.962 -11.562 1.634 1.00 1.00 H new ATOM 466 N LEU A 31 -11.404 -10.060 -4.552 1.00 1.00 N ATOM 467 CA LEU A 31 -12.476 -9.323 -5.226 1.00 1.00 C ATOM 468 C LEU A 31 -12.790 -9.975 -6.583 1.00 1.00 C ATOM 469 O LEU A 31 -13.832 -9.706 -7.175 1.00 1.00 O ATOM 470 CB LEU A 31 -12.039 -7.833 -5.292 1.00 1.00 C ATOM 471 CG LEU A 31 -12.527 -6.962 -6.458 1.00 1.00 C ATOM 472 CD1 LEU A 31 -14.027 -6.659 -6.405 1.00 1.00 C ATOM 473 CD2 LEU A 31 -11.740 -5.642 -6.530 1.00 1.00 C ATOM 0 H LEU A 31 -10.494 -9.834 -4.955 1.00 1.00 H new ATOM 0 HA LEU A 31 -13.420 -9.360 -4.683 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -12.362 -7.355 -4.367 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -10.949 -7.810 -5.299 1.00 1.00 H new ATOM 0 HG LEU A 31 -12.346 -7.550 -7.358 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -14.303 -6.040 -7.258 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -14.588 -7.593 -6.437 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -14.259 -6.128 -5.481 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -12.107 -5.045 -7.365 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -11.874 -5.088 -5.601 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -10.681 -5.857 -6.675 1.00 1.00 H new ATOM 485 N THR A 32 -11.934 -10.891 -7.066 1.00 1.00 N ATOM 486 CA THR A 32 -12.070 -11.555 -8.374 1.00 1.00 C ATOM 487 C THR A 32 -12.131 -10.534 -9.529 1.00 1.00 C ATOM 488 O THR A 32 -12.704 -10.802 -10.586 1.00 1.00 O ATOM 489 CB THR A 32 -13.266 -12.538 -8.353 1.00 1.00 C ATOM 490 OG1 THR A 32 -13.306 -13.233 -7.121 1.00 1.00 O ATOM 491 CG2 THR A 32 -13.209 -13.599 -9.454 1.00 1.00 C ATOM 0 H THR A 32 -11.111 -11.197 -6.547 1.00 1.00 H new ATOM 0 HA THR A 32 -11.176 -12.149 -8.564 1.00 1.00 H new ATOM 0 HB THR A 32 -14.148 -11.917 -8.508 1.00 1.00 H new ATOM 0 HG1 THR A 32 -14.067 -13.850 -7.118 1.00 1.00 H new ATOM 0 HG21 THR A 32 -14.079 -14.251 -9.376 1.00 1.00 H new ATOM 0 HG22 THR A 32 -13.207 -13.112 -10.429 1.00 1.00 H new ATOM 0 HG23 THR A 32 -12.301 -14.191 -9.342 1.00 1.00 H new ATOM 499 N ARG A 33 -11.565 -9.331 -9.326 1.00 1.00 N ATOM 500 CA ARG A 33 -11.634 -8.207 -10.266 1.00 1.00 C ATOM 501 C ARG A 33 -10.336 -7.390 -10.220 1.00 1.00 C ATOM 502 O ARG A 33 -9.794 -7.224 -9.129 1.00 1.00 O ATOM 503 CB ARG A 33 -12.852 -7.322 -9.918 1.00 1.00 C ATOM 504 CG ARG A 33 -13.658 -6.863 -11.137 1.00 1.00 C ATOM 505 CD ARG A 33 -13.539 -5.353 -11.390 1.00 1.00 C ATOM 506 NE ARG A 33 -14.174 -4.995 -12.672 1.00 1.00 N ATOM 507 CZ ARG A 33 -15.476 -4.903 -12.915 1.00 1.00 C ATOM 508 NH1 ARG A 33 -16.366 -5.003 -11.950 1.00 1.00 N ATOM 509 NH2 ARG A 33 -15.900 -4.717 -14.143 1.00 1.00 N ATOM 0 H ARG A 33 -11.035 -9.112 -8.482 1.00 1.00 H new ATOM 0 HA ARG A 33 -11.752 -8.590 -11.279 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -13.510 -7.875 -9.248 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -12.506 -6.444 -9.373 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -13.315 -7.403 -12.019 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -14.707 -7.122 -10.993 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -14.012 -4.803 -10.576 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -12.489 -5.062 -11.403 1.00 1.00 H new ATOM 0 HE ARG A 33 -13.548 -4.798 -13.453 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -16.061 -5.155 -10.989 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -17.361 -4.929 -12.164 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -15.230 -4.643 -14.908 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -16.900 -4.646 -14.332 1.00 1.00 H new ATOM 523 N PRO A 34 -9.842 -6.870 -11.363 1.00 1.00 N ATOM 524 CA PRO A 34 -8.635 -6.049 -11.427 1.00 1.00 C ATOM 525 C PRO A 34 -8.838 -4.656 -10.804 1.00 1.00 C ATOM 526 O PRO A 34 -9.933 -4.300 -10.363 1.00 1.00 O ATOM 527 CB PRO A 34 -8.253 -5.990 -12.908 1.00 1.00 C ATOM 528 CG PRO A 34 -9.546 -6.263 -13.670 1.00 1.00 C ATOM 529 CD PRO A 34 -10.451 -6.989 -12.680 1.00 1.00 C ATOM 0 HA PRO A 34 -7.829 -6.483 -10.836 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -7.841 -5.015 -13.169 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.491 -6.732 -13.147 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -10.003 -5.335 -14.014 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -9.360 -6.873 -14.554 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -11.450 -6.552 -12.682 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -10.561 -8.037 -12.958 1.00 1.00 H new ATOM 537 N ARG A 35 -7.770 -3.844 -10.789 1.00 1.00 N ATOM 538 CA ARG A 35 -7.830 -2.443 -10.368 1.00 1.00 C ATOM 539 C ARG A 35 -8.737 -1.648 -11.312 1.00 1.00 C ATOM 540 O ARG A 35 -8.456 -1.548 -12.504 1.00 1.00 O ATOM 541 CB ARG A 35 -6.416 -1.839 -10.297 1.00 1.00 C ATOM 542 CG ARG A 35 -6.441 -0.364 -9.835 1.00 1.00 C ATOM 543 CD ARG A 35 -6.006 0.617 -10.933 1.00 1.00 C ATOM 544 NE ARG A 35 -4.537 0.631 -11.082 1.00 1.00 N ATOM 545 CZ ARG A 35 -3.801 1.583 -11.646 1.00 1.00 C ATOM 546 NH1 ARG A 35 -4.342 2.636 -12.211 1.00 1.00 N ATOM 547 NH2 ARG A 35 -2.491 1.487 -11.654 1.00 1.00 N ATOM 0 H ARG A 35 -6.837 -4.146 -11.071 1.00 1.00 H new ATOM 0 HA ARG A 35 -8.259 -2.390 -9.367 1.00 1.00 H new ATOM 0 HB2 ARG A 35 -5.805 -2.424 -9.609 1.00 1.00 H new ATOM 0 HB3 ARG A 35 -5.944 -1.904 -11.277 1.00 1.00 H new ATOM 0 HG2 ARG A 35 -7.449 -0.109 -9.506 1.00 1.00 H new ATOM 0 HG3 ARG A 35 -5.785 -0.248 -8.972 1.00 1.00 H new ATOM 0 HD2 ARG A 35 -6.468 0.336 -11.880 1.00 1.00 H new ATOM 0 HD3 ARG A 35 -6.360 1.619 -10.691 1.00 1.00 H new ATOM 0 HE ARG A 35 -4.034 -0.176 -10.713 1.00 1.00 H new ATOM 0 HH11 ARG A 35 -5.356 2.742 -12.226 1.00 1.00 H new ATOM 0 HH12 ARG A 35 -3.748 3.349 -12.635 1.00 1.00 H new ATOM 0 HH21 ARG A 35 -2.036 0.680 -11.227 1.00 1.00 H new ATOM 0 HH22 ARG A 35 -1.929 2.219 -12.088 1.00 1.00 H new ATOM 561 N TYR A 36 -9.803 -1.076 -10.748 1.00 1.00 N ATOM 562 CA TYR A 36 -10.758 -0.191 -11.416 1.00 1.00 C ATOM 563 C TYR A 36 -10.044 0.909 -12.225 1.00 1.00 C ATOM 564 O TYR A 36 -9.248 1.676 -11.702 1.00 1.00 O ATOM 565 CB TYR A 36 -11.702 0.394 -10.351 1.00 1.00 C ATOM 566 CG TYR A 36 -13.076 0.765 -10.870 1.00 1.00 C ATOM 567 CD1 TYR A 36 -13.994 -0.258 -11.178 1.00 1.00 C ATOM 568 CD2 TYR A 36 -13.448 2.117 -11.018 1.00 1.00 C ATOM 569 CE1 TYR A 36 -15.285 0.064 -11.636 1.00 1.00 C ATOM 570 CE2 TYR A 36 -14.742 2.444 -11.469 1.00 1.00 C ATOM 571 CZ TYR A 36 -15.661 1.416 -11.781 1.00 1.00 C ATOM 572 OH TYR A 36 -16.917 1.729 -12.195 1.00 1.00 O ATOM 0 H TYR A 36 -10.034 -1.225 -9.766 1.00 1.00 H new ATOM 0 HA TYR A 36 -11.342 -0.759 -12.140 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -11.815 -0.331 -9.545 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -11.238 1.281 -9.919 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -13.706 -1.292 -11.062 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -12.742 2.901 -10.786 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -15.986 -0.722 -11.876 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -15.032 3.479 -11.576 1.00 1.00 H new ATOM 0 HH TYR A 36 -17.013 2.703 -12.241 1.00 1.00 H new HETATM 582 N NH2 A 37 -10.267 0.983 -13.527 1.00 1.00 N TER 585 NH2 A 37