USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=8 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+ 130:sc= 0.138 (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=0.031) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.076) USER MOD Single : A 30 MET CE :methyl -132:sc= 0 (180deg=-0.132) 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 -23.162 -1.856 7.898 1.00 1.00 N ATOM 2 CA ALA A 1 -22.716 -0.918 8.952 1.00 1.00 C ATOM 3 C ALA A 1 -23.239 0.487 8.647 1.00 1.00 C ATOM 4 O ALA A 1 -23.485 0.767 7.478 1.00 1.00 O ATOM 5 CB ALA A 1 -21.185 -0.938 9.112 1.00 1.00 C ATOM 0 H1 ALA A 1 -22.347 -2.401 7.551 1.00 1.00 H new ATOM 0 H2 ALA A 1 -23.872 -2.506 8.290 1.00 1.00 H new ATOM 0 H3 ALA A 1 -23.580 -1.320 7.111 1.00 1.00 H new ATOM 0 HA ALA A 1 -23.131 -1.239 9.907 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -20.892 -0.238 9.894 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -20.861 -1.942 9.384 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -20.717 -0.648 8.171 1.00 1.00 H new ATOM 13 N PRO A 2 -23.463 1.337 9.669 1.00 1.00 N ATOM 14 CA PRO A 2 -23.981 2.690 9.483 1.00 1.00 C ATOM 15 C PRO A 2 -22.922 3.630 8.897 1.00 1.00 C ATOM 16 O PRO A 2 -23.178 4.293 7.894 1.00 1.00 O ATOM 17 CB PRO A 2 -24.449 3.153 10.865 1.00 1.00 C ATOM 18 CG PRO A 2 -23.711 2.264 11.870 1.00 1.00 C ATOM 19 CD PRO A 2 -23.221 1.051 11.077 1.00 1.00 C ATOM 0 HA PRO A 2 -24.801 2.702 8.765 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -24.214 4.205 11.026 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -25.529 3.048 10.968 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -22.876 2.797 12.323 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -24.372 1.959 12.681 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -22.161 0.875 11.258 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -23.751 0.150 11.384 1.00 1.00 H new ATOM 27 N LEU A 3 -21.739 3.681 9.523 1.00 1.00 N ATOM 28 CA LEU A 3 -20.588 4.403 8.999 1.00 1.00 C ATOM 29 C LEU A 3 -19.905 3.574 7.904 1.00 1.00 C ATOM 30 O LEU A 3 -19.617 2.391 8.096 1.00 1.00 O ATOM 31 CB LEU A 3 -19.630 4.826 10.134 1.00 1.00 C ATOM 32 CG LEU A 3 -18.864 3.718 10.898 1.00 1.00 C ATOM 33 CD1 LEU A 3 -17.634 4.327 11.577 1.00 1.00 C ATOM 34 CD2 LEU A 3 -19.740 2.996 11.935 1.00 1.00 C ATOM 0 H LEU A 3 -21.560 3.217 10.413 1.00 1.00 H new ATOM 0 HA LEU A 3 -20.923 5.331 8.535 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -18.893 5.508 9.710 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -20.208 5.394 10.863 1.00 1.00 H new ATOM 0 HG LEU A 3 -18.559 2.967 10.169 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -17.093 3.549 12.116 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -16.982 4.766 10.822 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -17.950 5.100 12.277 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -19.151 2.230 12.439 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -20.104 3.716 12.668 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -20.588 2.529 11.433 1.00 1.00 H new ATOM 46 N GLU A 4 -19.645 4.204 6.757 1.00 1.00 N ATOM 47 CA GLU A 4 -18.925 3.599 5.638 1.00 1.00 C ATOM 48 C GLU A 4 -17.470 4.112 5.558 1.00 1.00 C ATOM 49 O GLU A 4 -17.146 5.162 6.130 1.00 1.00 O ATOM 50 CB GLU A 4 -19.717 3.842 4.341 1.00 1.00 C ATOM 51 CG GLU A 4 -20.924 2.907 4.239 1.00 1.00 C ATOM 52 CD GLU A 4 -21.640 3.034 2.888 1.00 1.00 C ATOM 53 OE1 GLU A 4 -22.343 4.052 2.683 1.00 1.00 O ATOM 54 OE2 GLU A 4 -21.497 2.075 2.094 1.00 1.00 O ATOM 0 H GLU A 4 -19.934 5.166 6.578 1.00 1.00 H new ATOM 0 HA GLU A 4 -18.847 2.523 5.792 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -20.054 4.878 4.308 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -19.065 3.691 3.481 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -20.597 1.877 4.380 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -21.625 3.132 5.043 1.00 1.00 H new ATOM 61 N PRO A 5 -16.560 3.361 4.896 1.00 1.00 N ATOM 62 CA PRO A 5 -15.150 3.722 4.761 1.00 1.00 C ATOM 63 C PRO A 5 -14.940 4.868 3.750 1.00 1.00 C ATOM 64 O PRO A 5 -14.411 4.676 2.653 1.00 1.00 O ATOM 65 CB PRO A 5 -14.422 2.416 4.407 1.00 1.00 C ATOM 66 CG PRO A 5 -15.488 1.515 3.783 1.00 1.00 C ATOM 67 CD PRO A 5 -16.824 2.071 4.270 1.00 1.00 C ATOM 0 HA PRO A 5 -14.738 4.133 5.683 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -13.604 2.598 3.710 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -13.988 1.955 5.294 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -15.429 1.532 2.695 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -15.357 0.478 4.093 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -17.519 2.184 3.438 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -17.287 1.387 4.981 1.00 1.00 H new ATOM 75 N GLU A 6 -15.311 6.086 4.158 1.00 1.00 N ATOM 76 CA GLU A 6 -15.156 7.310 3.365 1.00 1.00 C ATOM 77 C GLU A 6 -13.874 8.058 3.723 1.00 1.00 C ATOM 78 O GLU A 6 -13.755 8.621 4.810 1.00 1.00 O ATOM 79 CB GLU A 6 -16.360 8.256 3.518 1.00 1.00 C ATOM 80 CG GLU A 6 -17.422 8.012 2.444 1.00 1.00 C ATOM 81 CD GLU A 6 -18.346 6.875 2.858 1.00 1.00 C ATOM 82 OE1 GLU A 6 -19.338 7.187 3.553 1.00 1.00 O ATOM 83 OE2 GLU A 6 -18.019 5.723 2.501 1.00 1.00 O ATOM 0 H GLU A 6 -15.737 6.252 5.070 1.00 1.00 H new ATOM 0 HA GLU A 6 -15.098 6.989 2.325 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -16.804 8.121 4.504 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -16.018 9.290 3.461 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -18.002 8.921 2.285 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -16.941 7.771 1.496 1.00 1.00 H new ATOM 90 N TYR A 7 -12.935 8.086 2.773 1.00 1.00 N ATOM 91 CA TYR A 7 -11.657 8.793 2.863 1.00 1.00 C ATOM 92 C TYR A 7 -11.245 9.357 1.480 1.00 1.00 C ATOM 93 O TYR A 7 -10.228 8.944 0.922 1.00 1.00 O ATOM 94 CB TYR A 7 -10.617 7.821 3.460 1.00 1.00 C ATOM 95 CG TYR A 7 -10.665 7.717 4.975 1.00 1.00 C ATOM 96 CD1 TYR A 7 -9.930 8.638 5.748 1.00 1.00 C ATOM 97 CD2 TYR A 7 -11.438 6.725 5.612 1.00 1.00 C ATOM 98 CE1 TYR A 7 -9.972 8.578 7.153 1.00 1.00 C ATOM 99 CE2 TYR A 7 -11.486 6.660 7.018 1.00 1.00 C ATOM 100 CZ TYR A 7 -10.753 7.589 7.792 1.00 1.00 C ATOM 101 OH TYR A 7 -10.797 7.522 9.152 1.00 1.00 O ATOM 0 H TYR A 7 -13.050 7.597 1.885 1.00 1.00 H new ATOM 0 HA TYR A 7 -11.734 9.660 3.520 1.00 1.00 H new ATOM 0 HB2 TYR A 7 -10.774 6.830 3.033 1.00 1.00 H new ATOM 0 HB3 TYR A 7 -9.620 8.143 3.160 1.00 1.00 H new ATOM 0 HD1 TYR A 7 -9.332 9.393 5.260 1.00 1.00 H new ATOM 0 HD2 TYR A 7 -11.995 6.013 5.020 1.00 1.00 H new ATOM 0 HE1 TYR A 7 -9.408 9.286 7.742 1.00 1.00 H new ATOM 0 HE2 TYR A 7 -12.082 5.902 7.504 1.00 1.00 H new ATOM 0 HH TYR A 7 -11.382 6.785 9.424 1.00 1.00 H new ATOM 111 N PRO A 8 -12.033 10.270 0.868 1.00 1.00 N ATOM 112 CA PRO A 8 -11.678 10.875 -0.413 1.00 1.00 C ATOM 113 C PRO A 8 -10.539 11.888 -0.240 1.00 1.00 C ATOM 114 O PRO A 8 -10.732 12.947 0.354 1.00 1.00 O ATOM 115 CB PRO A 8 -12.957 11.521 -0.948 1.00 1.00 C ATOM 116 CG PRO A 8 -13.829 11.765 0.285 1.00 1.00 C ATOM 117 CD PRO A 8 -13.266 10.859 1.383 1.00 1.00 C ATOM 0 HA PRO A 8 -11.305 10.135 -1.121 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.739 12.454 -1.467 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -13.459 10.868 -1.662 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -13.795 12.812 0.587 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -14.872 11.527 0.079 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -13.070 11.431 2.290 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -13.983 10.081 1.645 1.00 1.00 H new ATOM 125 N GLY A 9 -9.358 11.559 -0.774 1.00 1.00 N ATOM 126 CA GLY A 9 -8.176 12.421 -0.741 1.00 1.00 C ATOM 127 C GLY A 9 -7.107 11.903 0.217 1.00 1.00 C ATOM 128 O GLY A 9 -6.994 12.392 1.336 1.00 1.00 O ATOM 0 H GLY A 9 -9.196 10.671 -1.249 1.00 1.00 H new ATOM 0 HA2 GLY A 9 -7.756 12.496 -1.744 1.00 1.00 H new ATOM 0 HA3 GLY A 9 -8.471 13.427 -0.443 1.00 1.00 H new ATOM 132 N ASP A 10 -6.291 10.961 -0.266 1.00 1.00 N ATOM 133 CA ASP A 10 -5.187 10.337 0.461 1.00 1.00 C ATOM 134 C ASP A 10 -3.962 10.253 -0.460 1.00 1.00 C ATOM 135 O ASP A 10 -4.084 9.959 -1.652 1.00 1.00 O ATOM 136 CB ASP A 10 -5.593 8.924 0.934 1.00 1.00 C ATOM 137 CG ASP A 10 -5.995 8.814 2.415 1.00 1.00 C ATOM 138 OD1 ASP A 10 -6.171 9.855 3.090 1.00 1.00 O ATOM 139 OD2 ASP A 10 -6.075 7.651 2.868 1.00 1.00 O ATOM 0 H ASP A 10 -6.388 10.599 -1.215 1.00 1.00 H new ATOM 0 HA ASP A 10 -4.943 10.938 1.337 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -6.427 8.580 0.322 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -4.761 8.244 0.749 1.00 1.00 H new ATOM 144 N ASN A 11 -2.783 10.512 0.110 1.00 1.00 N ATOM 145 CA ASN A 11 -1.472 10.406 -0.527 1.00 1.00 C ATOM 146 C ASN A 11 -0.418 10.485 0.583 1.00 1.00 C ATOM 147 O ASN A 11 0.104 11.556 0.888 1.00 1.00 O ATOM 148 CB ASN A 11 -1.292 11.517 -1.584 1.00 1.00 C ATOM 149 CG ASN A 11 -0.033 11.337 -2.426 1.00 1.00 C ATOM 150 OD1 ASN A 11 1.088 11.575 -2.011 1.00 1.00 O ATOM 151 ND2 ASN A 11 -0.181 10.928 -3.669 1.00 1.00 N ATOM 0 H ASN A 11 -2.716 10.818 1.081 1.00 1.00 H new ATOM 0 HA ASN A 11 -1.368 9.461 -1.060 1.00 1.00 H new ATOM 0 HB2 ASN A 11 -2.162 11.532 -2.240 1.00 1.00 H new ATOM 0 HB3 ASN A 11 -1.253 12.485 -1.084 1.00 1.00 H new ATOM 0 HD21 ASN A 11 0.636 10.815 -4.269 1.00 1.00 H new ATOM 0 HD22 ASN A 11 -1.112 10.725 -4.031 1.00 1.00 H new ATOM 158 N ALA A 12 -0.162 9.355 1.247 1.00 1.00 N ATOM 159 CA ALA A 12 0.942 9.265 2.189 1.00 1.00 C ATOM 160 C ALA A 12 2.210 8.814 1.458 1.00 1.00 C ATOM 161 O ALA A 12 2.157 8.240 0.370 1.00 1.00 O ATOM 162 CB ALA A 12 0.570 8.335 3.353 1.00 1.00 C ATOM 0 H ALA A 12 -0.705 8.497 1.147 1.00 1.00 H new ATOM 0 HA ALA A 12 1.145 10.246 2.619 1.00 1.00 H new ATOM 0 HB1 ALA A 12 1.404 8.275 4.052 1.00 1.00 H new ATOM 0 HB2 ALA A 12 -0.307 8.729 3.867 1.00 1.00 H new ATOM 0 HB3 ALA A 12 0.348 7.340 2.967 1.00 1.00 H new ATOM 168 N THR A 13 3.350 9.045 2.111 1.00 1.00 N ATOM 169 CA THR A 13 4.685 8.633 1.666 1.00 1.00 C ATOM 170 C THR A 13 4.728 7.180 1.146 1.00 1.00 C ATOM 171 O THR A 13 4.030 6.309 1.690 1.00 1.00 O ATOM 172 CB THR A 13 5.673 8.799 2.831 1.00 1.00 C ATOM 173 OG1 THR A 13 5.205 8.046 3.928 1.00 1.00 O ATOM 174 CG2 THR A 13 5.796 10.250 3.297 1.00 1.00 C ATOM 0 H THR A 13 3.371 9.544 3.000 1.00 1.00 H new ATOM 0 HA THR A 13 4.962 9.272 0.827 1.00 1.00 H new ATOM 0 HB THR A 13 6.648 8.464 2.477 1.00 1.00 H new ATOM 0 HG1 THR A 13 5.827 8.141 4.679 1.00 1.00 H new ATOM 0 HG21 THR A 13 6.507 10.308 4.121 1.00 1.00 H new ATOM 0 HG22 THR A 13 6.147 10.869 2.471 1.00 1.00 H new ATOM 0 HG23 THR A 13 4.822 10.609 3.631 1.00 1.00 H new ATOM 182 N PRO A 14 5.588 6.870 0.149 1.00 1.00 N ATOM 183 CA PRO A 14 5.685 5.534 -0.438 1.00 1.00 C ATOM 184 C PRO A 14 6.314 4.501 0.512 1.00 1.00 C ATOM 185 O PRO A 14 6.399 3.328 0.167 1.00 1.00 O ATOM 186 CB PRO A 14 6.497 5.697 -1.728 1.00 1.00 C ATOM 187 CG PRO A 14 7.333 6.958 -1.510 1.00 1.00 C ATOM 188 CD PRO A 14 6.608 7.747 -0.417 1.00 1.00 C ATOM 0 HA PRO A 14 4.690 5.137 -0.640 1.00 1.00 H new ATOM 0 HB2 PRO A 14 7.131 4.829 -1.908 1.00 1.00 H new ATOM 0 HB3 PRO A 14 5.845 5.801 -2.595 1.00 1.00 H new ATOM 0 HG2 PRO A 14 8.349 6.707 -1.204 1.00 1.00 H new ATOM 0 HG3 PRO A 14 7.411 7.540 -2.428 1.00 1.00 H new ATOM 0 HD2 PRO A 14 7.309 8.068 0.354 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.154 8.647 -0.830 1.00 1.00 H new ATOM 196 N GLU A 15 6.729 4.919 1.715 1.00 1.00 N ATOM 197 CA GLU A 15 7.154 4.051 2.814 1.00 1.00 C ATOM 198 C GLU A 15 5.986 3.631 3.728 1.00 1.00 C ATOM 199 O GLU A 15 6.113 2.642 4.447 1.00 1.00 O ATOM 200 CB GLU A 15 8.282 4.757 3.600 1.00 1.00 C ATOM 201 CG GLU A 15 7.771 5.908 4.481 1.00 1.00 C ATOM 202 CD GLU A 15 8.872 6.874 4.954 1.00 1.00 C ATOM 203 OE1 GLU A 15 9.207 7.797 4.175 1.00 1.00 O ATOM 204 OE2 GLU A 15 9.348 6.721 6.102 1.00 1.00 O ATOM 0 H GLU A 15 6.779 5.909 1.956 1.00 1.00 H new ATOM 0 HA GLU A 15 7.535 3.120 2.394 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.793 4.026 4.227 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.019 5.145 2.897 1.00 1.00 H new ATOM 0 HG2 GLU A 15 7.022 6.472 3.925 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.271 5.489 5.354 1.00 1.00 H new ATOM 211 N GLN A 16 4.839 4.334 3.673 1.00 1.00 N ATOM 212 CA GLN A 16 3.657 4.063 4.499 1.00 1.00 C ATOM 213 C GLN A 16 2.513 3.493 3.658 1.00 1.00 C ATOM 214 O GLN A 16 1.957 2.446 3.993 1.00 1.00 O ATOM 215 CB GLN A 16 3.218 5.340 5.241 1.00 1.00 C ATOM 216 CG GLN A 16 2.337 5.022 6.469 1.00 1.00 C ATOM 217 CD GLN A 16 0.930 5.615 6.408 1.00 1.00 C ATOM 218 OE1 GLN A 16 0.736 6.789 6.139 1.00 1.00 O ATOM 219 NE2 GLN A 16 -0.093 4.836 6.707 1.00 1.00 N ATOM 0 H GLN A 16 4.710 5.122 3.038 1.00 1.00 H new ATOM 0 HA GLN A 16 3.924 3.310 5.240 1.00 1.00 H new ATOM 0 HB2 GLN A 16 4.100 5.894 5.562 1.00 1.00 H new ATOM 0 HB3 GLN A 16 2.667 5.985 4.557 1.00 1.00 H new ATOM 0 HG2 GLN A 16 2.258 3.940 6.573 1.00 1.00 H new ATOM 0 HG3 GLN A 16 2.836 5.393 7.364 1.00 1.00 H new ATOM 0 HE21 GLN A 16 0.063 3.854 6.933 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -1.039 5.217 6.712 1.00 1.00 H new ATOM 228 N MET A 17 2.192 4.137 2.525 1.00 1.00 N ATOM 229 CA MET A 17 1.163 3.648 1.602 1.00 1.00 C ATOM 230 C MET A 17 1.523 2.281 0.997 1.00 1.00 C ATOM 231 O MET A 17 0.628 1.529 0.613 1.00 1.00 O ATOM 232 CB MET A 17 0.928 4.682 0.494 1.00 1.00 C ATOM 233 CG MET A 17 -0.356 4.383 -0.297 1.00 1.00 C ATOM 234 SD MET A 17 -0.129 4.343 -2.094 1.00 1.00 S ATOM 235 CE MET A 17 -1.204 5.725 -2.548 1.00 1.00 C ATOM 0 H MET A 17 2.637 5.005 2.227 1.00 1.00 H new ATOM 0 HA MET A 17 0.245 3.509 2.173 1.00 1.00 H new ATOM 0 HB2 MET A 17 0.862 5.678 0.933 1.00 1.00 H new ATOM 0 HB3 MET A 17 1.781 4.689 -0.185 1.00 1.00 H new ATOM 0 HG2 MET A 17 -0.755 3.422 0.029 1.00 1.00 H new ATOM 0 HG3 MET A 17 -1.104 5.138 -0.053 1.00 1.00 H new ATOM 0 HE1 MET A 17 -1.192 5.855 -3.630 1.00 1.00 H new ATOM 0 HE2 MET A 17 -2.222 5.518 -2.218 1.00 1.00 H new ATOM 0 HE3 MET A 17 -0.846 6.637 -2.069 1.00 1.00 H new ATOM 245 N ALA A 18 2.813 1.917 0.994 1.00 1.00 N ATOM 246 CA ALA A 18 3.302 0.596 0.605 1.00 1.00 C ATOM 247 C ALA A 18 2.579 -0.542 1.349 1.00 1.00 C ATOM 248 O ALA A 18 2.374 -1.606 0.772 1.00 1.00 O ATOM 249 CB ALA A 18 4.826 0.531 0.820 1.00 1.00 C ATOM 0 H ALA A 18 3.561 2.553 1.270 1.00 1.00 H new ATOM 0 HA ALA A 18 3.082 0.450 -0.452 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.193 -0.454 0.530 1.00 1.00 H new ATOM 0 HB2 ALA A 18 5.312 1.293 0.211 1.00 1.00 H new ATOM 0 HB3 ALA A 18 5.053 0.708 1.871 1.00 1.00 H new ATOM 255 N GLN A 19 2.153 -0.312 2.599 1.00 1.00 N ATOM 256 CA GLN A 19 1.419 -1.280 3.414 1.00 1.00 C ATOM 257 C GLN A 19 -0.034 -1.440 2.942 1.00 1.00 C ATOM 258 O GLN A 19 -0.442 -2.533 2.562 1.00 1.00 O ATOM 259 CB GLN A 19 1.507 -0.855 4.893 1.00 1.00 C ATOM 260 CG GLN A 19 2.133 -1.936 5.788 1.00 1.00 C ATOM 261 CD GLN A 19 1.078 -2.777 6.498 1.00 1.00 C ATOM 262 OE1 GLN A 19 0.772 -3.898 6.119 1.00 1.00 O ATOM 263 NE2 GLN A 19 0.497 -2.249 7.559 1.00 1.00 N ATOM 0 H GLN A 19 2.315 0.573 3.079 1.00 1.00 H new ATOM 0 HA GLN A 19 1.876 -2.263 3.302 1.00 1.00 H new ATOM 0 HB2 GLN A 19 2.096 0.059 4.969 1.00 1.00 H new ATOM 0 HB3 GLN A 19 0.507 -0.621 5.259 1.00 1.00 H new ATOM 0 HG2 GLN A 19 2.766 -2.585 5.183 1.00 1.00 H new ATOM 0 HG3 GLN A 19 2.778 -1.463 6.529 1.00 1.00 H new ATOM 0 HE21 GLN A 19 0.757 -1.313 7.870 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -0.212 -2.777 8.068 1.00 1.00 H new ATOM 272 N TYR A 20 -0.809 -0.349 2.929 1.00 1.00 N ATOM 273 CA TYR A 20 -2.185 -0.326 2.415 1.00 1.00 C ATOM 274 C TYR A 20 -2.270 -0.837 0.968 1.00 1.00 C ATOM 275 O TYR A 20 -3.135 -1.649 0.640 1.00 1.00 O ATOM 276 CB TYR A 20 -2.742 1.104 2.520 1.00 1.00 C ATOM 277 CG TYR A 20 -3.697 1.331 3.678 1.00 1.00 C ATOM 278 CD1 TYR A 20 -3.273 1.128 5.007 1.00 1.00 C ATOM 279 CD2 TYR A 20 -5.015 1.760 3.419 1.00 1.00 C ATOM 280 CE1 TYR A 20 -4.164 1.352 6.073 1.00 1.00 C ATOM 281 CE2 TYR A 20 -5.913 1.977 4.483 1.00 1.00 C ATOM 282 CZ TYR A 20 -5.486 1.767 5.813 1.00 1.00 C ATOM 283 OH TYR A 20 -6.344 1.929 6.855 1.00 1.00 O ATOM 0 H TYR A 20 -0.494 0.556 3.280 1.00 1.00 H new ATOM 0 HA TYR A 20 -2.788 -1.001 3.023 1.00 1.00 H new ATOM 0 HB2 TYR A 20 -1.907 1.798 2.614 1.00 1.00 H new ATOM 0 HB3 TYR A 20 -3.256 1.348 1.590 1.00 1.00 H new ATOM 0 HD1 TYR A 20 -2.264 0.800 5.207 1.00 1.00 H new ATOM 0 HD2 TYR A 20 -5.337 1.923 2.401 1.00 1.00 H new ATOM 0 HE1 TYR A 20 -3.835 1.206 7.091 1.00 1.00 H new ATOM 0 HE2 TYR A 20 -6.923 2.302 4.283 1.00 1.00 H new ATOM 0 HH TYR A 20 -7.217 2.219 6.518 1.00 1.00 H new ATOM 293 N ALA A 21 -1.347 -0.419 0.098 1.00 1.00 N ATOM 294 CA ALA A 21 -1.265 -0.918 -1.271 1.00 1.00 C ATOM 295 C ALA A 21 -1.032 -2.443 -1.321 1.00 1.00 C ATOM 296 O ALA A 21 -1.628 -3.134 -2.152 1.00 1.00 O ATOM 297 CB ALA A 21 -0.162 -0.137 -1.992 1.00 1.00 C ATOM 0 H ALA A 21 -0.636 0.276 0.326 1.00 1.00 H new ATOM 0 HA ALA A 21 -2.216 -0.759 -1.779 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.079 -0.490 -3.020 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.408 0.925 -1.992 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.787 -0.289 -1.478 1.00 1.00 H new ATOM 303 N ALA A 22 -0.237 -2.985 -0.385 1.00 1.00 N ATOM 304 CA ALA A 22 -0.039 -4.426 -0.222 1.00 1.00 C ATOM 305 C ALA A 22 -1.288 -5.168 0.283 1.00 1.00 C ATOM 306 O ALA A 22 -1.308 -6.398 0.210 1.00 1.00 O ATOM 307 CB ALA A 22 1.128 -4.696 0.736 1.00 1.00 C ATOM 0 H ALA A 22 0.290 -2.425 0.285 1.00 1.00 H new ATOM 0 HA ALA A 22 0.182 -4.812 -1.217 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.265 -5.771 0.849 1.00 1.00 H new ATOM 0 HB2 ALA A 22 2.039 -4.255 0.333 1.00 1.00 H new ATOM 0 HB3 ALA A 22 0.910 -4.254 1.708 1.00 1.00 H new ATOM 313 N GLU A 23 -2.310 -4.461 0.789 1.00 1.00 N ATOM 314 CA GLU A 23 -3.641 -4.996 1.090 1.00 1.00 C ATOM 315 C GLU A 23 -4.501 -5.039 -0.184 1.00 1.00 C ATOM 316 O GLU A 23 -5.092 -6.075 -0.492 1.00 1.00 O ATOM 317 CB GLU A 23 -4.331 -4.151 2.175 1.00 1.00 C ATOM 318 CG GLU A 23 -5.523 -4.883 2.809 1.00 1.00 C ATOM 319 CD GLU A 23 -6.617 -3.897 3.243 1.00 1.00 C ATOM 320 OE1 GLU A 23 -6.337 -3.107 4.176 1.00 1.00 O ATOM 321 OE2 GLU A 23 -7.713 -3.945 2.635 1.00 1.00 O ATOM 0 H GLU A 23 -2.227 -3.468 1.006 1.00 1.00 H new ATOM 0 HA GLU A 23 -3.527 -6.012 1.467 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -3.608 -3.898 2.950 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -4.673 -3.212 1.739 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -5.936 -5.596 2.095 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -5.183 -5.456 3.672 1.00 1.00 H new ATOM 328 N LEU A 24 -4.531 -3.945 -0.964 1.00 1.00 N ATOM 329 CA LEU A 24 -5.311 -3.861 -2.205 1.00 1.00 C ATOM 330 C LEU A 24 -4.936 -4.948 -3.214 1.00 1.00 C ATOM 331 O LEU A 24 -5.827 -5.536 -3.825 1.00 1.00 O ATOM 332 CB LEU A 24 -5.179 -2.472 -2.858 1.00 1.00 C ATOM 333 CG LEU A 24 -6.317 -1.495 -2.512 1.00 1.00 C ATOM 334 CD1 LEU A 24 -7.681 -1.984 -3.034 1.00 1.00 C ATOM 335 CD2 LEU A 24 -6.382 -1.203 -1.010 1.00 1.00 C ATOM 0 H LEU A 24 -4.013 -3.093 -0.749 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.350 -4.022 -1.918 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.231 -2.029 -2.552 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.139 -2.595 -3.940 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.085 -0.561 -3.024 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -8.453 -1.263 -2.766 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.640 -2.086 -4.118 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -7.916 -2.950 -2.587 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -7.199 -0.509 -0.809 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -6.553 -2.132 -0.466 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.441 -0.760 -0.685 1.00 1.00 H new ATOM 347 N ARG A 25 -3.639 -5.266 -3.351 1.00 1.00 N ATOM 348 CA ARG A 25 -3.168 -6.418 -4.138 1.00 1.00 C ATOM 349 C ARG A 25 -3.907 -7.709 -3.770 1.00 1.00 C ATOM 350 O ARG A 25 -4.283 -8.481 -4.653 1.00 1.00 O ATOM 351 CB ARG A 25 -1.642 -6.547 -3.970 1.00 1.00 C ATOM 352 CG ARG A 25 -1.040 -7.885 -4.450 1.00 1.00 C ATOM 353 CD ARG A 25 -0.874 -8.881 -3.289 1.00 1.00 C ATOM 354 NE ARG A 25 -0.052 -10.046 -3.667 1.00 1.00 N ATOM 355 CZ ARG A 25 0.706 -10.782 -2.856 1.00 1.00 C ATOM 356 NH1 ARG A 25 0.748 -10.553 -1.562 1.00 1.00 N ATOM 357 NH2 ARG A 25 1.437 -11.761 -3.342 1.00 1.00 N ATOM 0 H ARG A 25 -2.886 -4.731 -2.919 1.00 1.00 H new ATOM 0 HA ARG A 25 -3.392 -6.247 -5.191 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -1.162 -5.734 -4.516 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -1.396 -6.413 -2.917 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -1.683 -8.321 -5.214 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -0.071 -7.703 -4.915 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -0.414 -8.374 -2.441 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -1.856 -9.222 -2.962 1.00 1.00 H new ATOM 0 HE ARG A 25 -0.065 -10.316 -4.651 1.00 1.00 H new ATOM 0 HH11 ARG A 25 0.192 -9.798 -1.159 1.00 1.00 H new ATOM 0 HH12 ARG A 25 1.336 -11.130 -0.961 1.00 1.00 H new ATOM 0 HH21 ARG A 25 1.425 -11.959 -4.343 1.00 1.00 H new ATOM 0 HH22 ARG A 25 2.016 -12.323 -2.718 1.00 1.00 H new ATOM 371 N ARG A 26 -4.107 -7.945 -2.469 1.00 1.00 N ATOM 372 CA ARG A 26 -4.791 -9.135 -1.949 1.00 1.00 C ATOM 373 C ARG A 26 -6.282 -9.017 -2.214 1.00 1.00 C ATOM 374 O ARG A 26 -6.872 -9.948 -2.756 1.00 1.00 O ATOM 375 CB ARG A 26 -4.523 -9.366 -0.450 1.00 1.00 C ATOM 376 CG ARG A 26 -3.171 -8.820 0.013 1.00 1.00 C ATOM 377 CD ARG A 26 -2.705 -9.441 1.322 1.00 1.00 C ATOM 378 NE ARG A 26 -1.671 -8.602 1.948 1.00 1.00 N ATOM 379 CZ ARG A 26 -1.234 -8.717 3.196 1.00 1.00 C ATOM 380 NH1 ARG A 26 -1.683 -9.659 3.996 1.00 1.00 N ATOM 381 NH2 ARG A 26 -0.340 -7.881 3.665 1.00 1.00 N ATOM 0 H ARG A 26 -3.794 -7.307 -1.737 1.00 1.00 H new ATOM 0 HA ARG A 26 -4.389 -10.003 -2.472 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -5.316 -8.895 0.131 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -4.567 -10.435 -0.240 1.00 1.00 H new ATOM 0 HG2 ARG A 26 -2.425 -9.007 -0.759 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -3.242 -7.739 0.133 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -3.551 -9.553 2.000 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -2.309 -10.440 1.138 1.00 1.00 H new ATOM 0 HE ARG A 26 -1.254 -7.869 1.374 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -2.382 -10.322 3.661 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -1.332 -9.727 4.951 1.00 1.00 H new ATOM 0 HH21 ARG A 26 0.024 -7.137 3.070 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -0.008 -7.975 4.625 1.00 1.00 H new ATOM 395 N TYR A 27 -6.854 -7.846 -1.904 1.00 1.00 N ATOM 396 CA TYR A 27 -8.248 -7.498 -2.163 1.00 1.00 C ATOM 397 C TYR A 27 -8.626 -7.796 -3.618 1.00 1.00 C ATOM 398 O TYR A 27 -9.631 -8.447 -3.857 1.00 1.00 O ATOM 399 CB TYR A 27 -8.510 -6.024 -1.808 1.00 1.00 C ATOM 400 CG TYR A 27 -9.903 -5.745 -1.267 1.00 1.00 C ATOM 401 CD1 TYR A 27 -11.056 -6.121 -1.989 1.00 1.00 C ATOM 402 CD2 TYR A 27 -10.042 -5.113 -0.014 1.00 1.00 C ATOM 403 CE1 TYR A 27 -12.336 -5.899 -1.450 1.00 1.00 C ATOM 404 CE2 TYR A 27 -11.322 -4.881 0.526 1.00 1.00 C ATOM 405 CZ TYR A 27 -12.471 -5.286 -0.188 1.00 1.00 C ATOM 406 OH TYR A 27 -13.710 -5.107 0.345 1.00 1.00 O ATOM 0 H TYR A 27 -6.337 -7.093 -1.451 1.00 1.00 H new ATOM 0 HA TYR A 27 -8.881 -8.116 -1.526 1.00 1.00 H new ATOM 0 HB2 TYR A 27 -7.776 -5.705 -1.068 1.00 1.00 H new ATOM 0 HB3 TYR A 27 -8.351 -5.415 -2.698 1.00 1.00 H new ATOM 0 HD1 TYR A 27 -10.955 -6.582 -2.961 1.00 1.00 H new ATOM 0 HD2 TYR A 27 -9.163 -4.806 0.534 1.00 1.00 H new ATOM 0 HE1 TYR A 27 -13.215 -6.198 -2.003 1.00 1.00 H new ATOM 0 HE2 TYR A 27 -11.425 -4.394 1.485 1.00 1.00 H new ATOM 0 HH TYR A 27 -13.630 -4.672 1.219 1.00 1.00 H new ATOM 416 N ILE A 28 -7.800 -7.386 -4.588 1.00 1.00 N ATOM 417 CA ILE A 28 -7.986 -7.664 -6.017 1.00 1.00 C ATOM 418 C ILE A 28 -8.167 -9.162 -6.276 1.00 1.00 C ATOM 419 O ILE A 28 -9.203 -9.561 -6.816 1.00 1.00 O ATOM 420 CB ILE A 28 -6.818 -7.053 -6.829 1.00 1.00 C ATOM 421 CG1 ILE A 28 -7.028 -5.527 -6.944 1.00 1.00 C ATOM 422 CG2 ILE A 28 -6.621 -7.714 -8.216 1.00 1.00 C ATOM 423 CD1 ILE A 28 -5.770 -4.785 -7.416 1.00 1.00 C ATOM 0 H ILE A 28 -6.962 -6.837 -4.396 1.00 1.00 H new ATOM 0 HA ILE A 28 -8.907 -7.188 -6.355 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.893 -7.255 -6.289 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.843 -5.329 -7.640 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -7.334 -5.133 -5.975 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.787 -7.238 -8.731 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -6.409 -8.775 -8.086 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -7.528 -7.595 -8.808 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.979 -3.717 -7.478 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.959 -4.956 -6.708 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -5.477 -5.154 -8.399 1.00 1.00 H new ATOM 435 N ASN A 29 -7.176 -9.984 -5.903 1.00 1.00 N ATOM 436 CA ASN A 29 -7.249 -11.437 -6.071 1.00 1.00 C ATOM 437 C ASN A 29 -8.424 -12.055 -5.282 1.00 1.00 C ATOM 438 O ASN A 29 -8.971 -13.075 -5.693 1.00 1.00 O ATOM 439 CB ASN A 29 -5.891 -12.043 -5.675 1.00 1.00 C ATOM 440 CG ASN A 29 -5.711 -13.461 -6.206 1.00 1.00 C ATOM 441 OD1 ASN A 29 -5.838 -13.722 -7.392 1.00 1.00 O ATOM 442 ND2 ASN A 29 -5.360 -14.407 -5.358 1.00 1.00 N ATOM 0 H ASN A 29 -6.307 -9.660 -5.479 1.00 1.00 H new ATOM 0 HA ASN A 29 -7.452 -11.672 -7.116 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -5.089 -11.411 -6.056 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -5.802 -12.051 -4.589 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -5.195 -15.356 -5.693 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -5.254 -14.190 -4.367 1.00 1.00 H new ATOM 449 N MET A 30 -8.851 -11.400 -4.194 1.00 1.00 N ATOM 450 CA MET A 30 -10.019 -11.735 -3.374 1.00 1.00 C ATOM 451 C MET A 30 -11.365 -11.224 -3.917 1.00 1.00 C ATOM 452 O MET A 30 -12.408 -11.628 -3.409 1.00 1.00 O ATOM 453 CB MET A 30 -9.806 -11.196 -1.951 1.00 1.00 C ATOM 454 CG MET A 30 -8.965 -12.155 -1.104 1.00 1.00 C ATOM 455 SD MET A 30 -9.257 -11.994 0.675 1.00 1.00 S ATOM 456 CE MET A 30 -10.865 -12.835 0.773 1.00 1.00 C ATOM 0 H MET A 30 -8.362 -10.576 -3.844 1.00 1.00 H new ATOM 0 HA MET A 30 -10.091 -12.822 -3.391 1.00 1.00 H new ATOM 0 HB2 MET A 30 -9.313 -10.225 -1.999 1.00 1.00 H new ATOM 0 HB3 MET A 30 -10.773 -11.039 -1.472 1.00 1.00 H new ATOM 0 HG2 MET A 30 -9.180 -13.179 -1.408 1.00 1.00 H new ATOM 0 HG3 MET A 30 -7.909 -11.977 -1.308 1.00 1.00 H new ATOM 0 HE1 MET A 30 -11.559 -12.226 1.352 1.00 1.00 H new ATOM 0 HE2 MET A 30 -11.261 -12.981 -0.232 1.00 1.00 H new ATOM 0 HE3 MET A 30 -10.740 -13.803 1.258 1.00 1.00 H new ATOM 466 N LEU A 31 -11.360 -10.380 -4.954 1.00 1.00 N ATOM 467 CA LEU A 31 -12.547 -9.867 -5.647 1.00 1.00 C ATOM 468 C LEU A 31 -12.588 -10.394 -7.096 1.00 1.00 C ATOM 469 O LEU A 31 -13.510 -10.085 -7.844 1.00 1.00 O ATOM 470 CB LEU A 31 -12.624 -8.322 -5.457 1.00 1.00 C ATOM 471 CG LEU A 31 -12.499 -7.427 -6.709 1.00 1.00 C ATOM 472 CD1 LEU A 31 -13.852 -7.215 -7.413 1.00 1.00 C ATOM 473 CD2 LEU A 31 -11.892 -6.057 -6.380 1.00 1.00 C ATOM 0 H LEU A 31 -10.492 -10.020 -5.350 1.00 1.00 H new ATOM 0 HA LEU A 31 -13.472 -10.245 -5.212 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -13.575 -8.092 -4.977 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -11.837 -8.032 -4.760 1.00 1.00 H new ATOM 0 HG LEU A 31 -11.830 -7.962 -7.383 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -13.712 -6.579 -8.287 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -14.254 -8.179 -7.726 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -14.549 -6.737 -6.725 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -11.823 -5.461 -7.290 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -12.525 -5.543 -5.657 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -10.896 -6.192 -5.959 1.00 1.00 H new ATOM 485 N THR A 32 -11.591 -11.199 -7.499 1.00 1.00 N ATOM 486 CA THR A 32 -11.433 -11.719 -8.865 1.00 1.00 C ATOM 487 C THR A 32 -11.224 -10.568 -9.862 1.00 1.00 C ATOM 488 O THR A 32 -11.529 -10.742 -11.034 1.00 1.00 O ATOM 489 CB THR A 32 -12.623 -12.655 -9.219 1.00 1.00 C ATOM 490 OG1 THR A 32 -12.793 -13.600 -8.185 1.00 1.00 O ATOM 491 CG2 THR A 32 -12.497 -13.508 -10.485 1.00 1.00 C ATOM 0 H THR A 32 -10.855 -11.513 -6.867 1.00 1.00 H new ATOM 0 HA THR A 32 -10.533 -12.330 -8.930 1.00 1.00 H new ATOM 0 HB THR A 32 -13.442 -11.952 -9.370 1.00 1.00 H new ATOM 0 HG1 THR A 32 -13.543 -14.192 -8.403 1.00 1.00 H new ATOM 0 HG21 THR A 32 -13.397 -14.111 -10.609 1.00 1.00 H new ATOM 0 HG22 THR A 32 -12.374 -12.858 -11.351 1.00 1.00 H new ATOM 0 HG23 THR A 32 -11.631 -14.163 -10.397 1.00 1.00 H new ATOM 499 N ARG A 33 -10.718 -9.395 -9.413 1.00 1.00 N ATOM 500 CA ARG A 33 -10.676 -8.127 -10.171 1.00 1.00 C ATOM 501 C ARG A 33 -10.221 -8.377 -11.615 1.00 1.00 C ATOM 502 O ARG A 33 -9.021 -8.579 -11.831 1.00 1.00 O ATOM 503 CB ARG A 33 -9.789 -7.075 -9.475 1.00 1.00 C ATOM 504 CG ARG A 33 -10.128 -5.621 -9.847 1.00 1.00 C ATOM 505 CD ARG A 33 -9.107 -5.009 -10.812 1.00 1.00 C ATOM 506 NE ARG A 33 -9.584 -3.717 -11.342 1.00 1.00 N ATOM 507 CZ ARG A 33 -8.848 -2.710 -11.796 1.00 1.00 C ATOM 508 NH1 ARG A 33 -7.534 -2.758 -11.814 1.00 1.00 N ATOM 509 NH2 ARG A 33 -9.433 -1.624 -12.243 1.00 1.00 N ATOM 0 H ARG A 33 -10.314 -9.305 -8.481 1.00 1.00 H new ATOM 0 HA ARG A 33 -11.687 -7.721 -10.199 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -9.883 -7.194 -8.396 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -8.747 -7.270 -9.728 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -11.118 -5.587 -10.301 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -10.173 -5.018 -8.940 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -8.157 -4.866 -10.298 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -8.923 -5.698 -11.636 1.00 1.00 H new ATOM 0 HE ARG A 33 -10.595 -3.582 -11.362 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -7.049 -3.588 -11.472 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -7.000 -1.966 -12.170 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -10.451 -1.555 -12.241 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -8.870 -0.848 -12.592 1.00 1.00 H new ATOM 523 N PRO A 34 -11.142 -8.410 -12.601 1.00 1.00 N ATOM 524 CA PRO A 34 -10.818 -8.766 -13.974 1.00 1.00 C ATOM 525 C PRO A 34 -10.157 -7.562 -14.649 1.00 1.00 C ATOM 526 O PRO A 34 -10.749 -6.854 -15.464 1.00 1.00 O ATOM 527 CB PRO A 34 -12.128 -9.241 -14.607 1.00 1.00 C ATOM 528 CG PRO A 34 -13.232 -8.584 -13.777 1.00 1.00 C ATOM 529 CD PRO A 34 -12.577 -8.193 -12.453 1.00 1.00 C ATOM 0 HA PRO A 34 -10.093 -9.574 -14.074 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -12.191 -8.943 -15.654 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -12.208 -10.328 -14.580 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -13.637 -7.710 -14.287 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -14.062 -9.272 -13.615 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -12.786 -7.150 -12.214 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -12.975 -8.794 -11.635 1.00 1.00 H new ATOM 537 N ARG A 35 -8.918 -7.292 -14.221 1.00 1.00 N ATOM 538 CA ARG A 35 -8.055 -6.241 -14.737 1.00 1.00 C ATOM 539 C ARG A 35 -7.826 -6.495 -16.226 1.00 1.00 C ATOM 540 O ARG A 35 -7.198 -7.488 -16.589 1.00 1.00 O ATOM 541 CB ARG A 35 -6.750 -6.164 -13.915 1.00 1.00 C ATOM 542 CG ARG A 35 -5.776 -7.352 -14.067 1.00 1.00 C ATOM 543 CD ARG A 35 -4.696 -7.109 -15.145 1.00 1.00 C ATOM 544 NE ARG A 35 -3.332 -7.241 -14.602 1.00 1.00 N ATOM 545 CZ ARG A 35 -2.720 -6.412 -13.763 1.00 1.00 C ATOM 546 NH1 ARG A 35 -3.262 -5.277 -13.386 1.00 1.00 N ATOM 547 NH2 ARG A 35 -1.544 -6.726 -13.279 1.00 1.00 N ATOM 0 H ARG A 35 -8.477 -7.827 -13.473 1.00 1.00 H new ATOM 0 HA ARG A 35 -8.524 -5.262 -14.635 1.00 1.00 H new ATOM 0 HB2 ARG A 35 -6.223 -5.251 -14.194 1.00 1.00 H new ATOM 0 HB3 ARG A 35 -7.014 -6.070 -12.862 1.00 1.00 H new ATOM 0 HG2 ARG A 35 -5.291 -7.542 -13.110 1.00 1.00 H new ATOM 0 HG3 ARG A 35 -6.341 -8.249 -14.322 1.00 1.00 H new ATOM 0 HD2 ARG A 35 -4.832 -7.820 -15.960 1.00 1.00 H new ATOM 0 HD3 ARG A 35 -4.823 -6.112 -15.567 1.00 1.00 H new ATOM 0 HE ARG A 35 -2.800 -8.058 -14.903 1.00 1.00 H new ATOM 0 HH11 ARG A 35 -4.181 -5.008 -13.739 1.00 1.00 H new ATOM 0 HH12 ARG A 35 -2.764 -4.664 -12.740 1.00 1.00 H new ATOM 0 HH21 ARG A 35 -1.101 -7.605 -13.546 1.00 1.00 H new ATOM 0 HH22 ARG A 35 -1.072 -6.092 -12.635 1.00 1.00 H new ATOM 561 N TYR A 36 -8.311 -5.584 -17.070 1.00 1.00 N ATOM 562 CA TYR A 36 -8.179 -5.690 -18.525 1.00 1.00 C ATOM 563 C TYR A 36 -8.785 -6.986 -19.116 1.00 1.00 C ATOM 564 O TYR A 36 -9.323 -7.858 -18.450 1.00 1.00 O ATOM 565 CB TYR A 36 -6.693 -5.484 -18.892 1.00 1.00 C ATOM 566 CG TYR A 36 -6.303 -4.043 -19.143 1.00 1.00 C ATOM 567 CD1 TYR A 36 -5.892 -3.213 -18.080 1.00 1.00 C ATOM 568 CD2 TYR A 36 -6.323 -3.547 -20.459 1.00 1.00 C ATOM 569 CE1 TYR A 36 -5.477 -1.893 -18.344 1.00 1.00 C ATOM 570 CE2 TYR A 36 -5.901 -2.233 -20.729 1.00 1.00 C ATOM 571 CZ TYR A 36 -5.462 -1.407 -19.670 1.00 1.00 C ATOM 572 OH TYR A 36 -4.989 -0.155 -19.917 1.00 1.00 O ATOM 0 H TYR A 36 -8.809 -4.748 -16.763 1.00 1.00 H new ATOM 0 HA TYR A 36 -8.776 -4.905 -18.990 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.075 -5.880 -18.086 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -6.467 -6.069 -19.784 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -5.895 -3.588 -17.067 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -6.664 -4.178 -21.266 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -5.170 -1.252 -17.531 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -5.912 -1.857 -21.741 1.00 1.00 H new ATOM 0 HH TYR A 36 -5.044 0.032 -20.877 1.00 1.00 H new HETATM 582 N NH2 A 37 -8.762 -7.143 -20.426 1.00 1.00 N TER 585 NH2 A 37