USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 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 Set 1.1: A 33 GLN : amide:sc= 1.01 K(o=2.2,f=-5.6) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -152:sc= 1.23 (180deg=-0.0333) USER MOD Single : A 2 MET CE :methyl 149:sc= 0 (180deg=-1.62!) USER MOD Single : A 12 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.023) USER MOD Single : A 16 ASN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.22) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.731 (180deg=0.572) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 36 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.83 K(o=0.83,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.619 -0.450 6.399 1.00 0.00 N ATOM 38 CA MET A 2 -5.771 -0.204 5.238 1.00 0.00 C ATOM 39 C MET A 2 -4.324 -0.498 5.570 1.00 0.00 C ATOM 40 O MET A 2 -3.665 -1.208 4.819 1.00 0.00 O ATOM 41 CB MET A 2 -5.858 1.265 4.798 1.00 0.00 C ATOM 42 CG MET A 2 -6.858 1.527 3.675 1.00 0.00 C ATOM 43 SD MET A 2 -8.578 1.468 4.235 1.00 0.00 S ATOM 44 CE MET A 2 -9.290 2.709 3.126 1.00 0.00 C ATOM 0 HA MET A 2 -6.120 -0.856 4.437 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.130 1.875 5.660 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.871 1.594 4.473 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.657 2.505 3.237 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.713 0.789 2.886 1.00 0.00 H new ATOM 0 HE1 MET A 2 -10.328 2.453 2.912 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.249 3.689 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.723 2.734 2.196 1.00 0.00 H new ATOM 54 N GLY A 3 -3.807 0.109 6.633 1.00 0.00 N ATOM 55 CA GLY A 3 -2.395 0.040 6.911 1.00 0.00 C ATOM 56 C GLY A 3 -1.934 -1.387 7.168 1.00 0.00 C ATOM 57 O GLY A 3 -0.945 -1.833 6.587 1.00 0.00 O ATOM 0 H GLY A 3 -4.349 0.649 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.839 0.455 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.166 0.657 7.780 1.00 0.00 H new ATOM 61 N GLU A 4 -2.679 -2.127 7.985 1.00 0.00 N ATOM 62 CA GLU A 4 -2.394 -3.532 8.247 1.00 0.00 C ATOM 63 C GLU A 4 -2.542 -4.350 6.972 1.00 0.00 C ATOM 64 O GLU A 4 -1.693 -5.177 6.673 1.00 0.00 O ATOM 65 CB GLU A 4 -3.340 -4.069 9.321 1.00 0.00 C ATOM 66 CG GLU A 4 -3.059 -3.411 10.673 1.00 0.00 C ATOM 67 CD GLU A 4 -4.012 -3.871 11.769 1.00 0.00 C ATOM 68 OE1 GLU A 4 -4.627 -4.955 11.657 1.00 0.00 O ATOM 69 OE2 GLU A 4 -4.127 -3.108 12.754 1.00 0.00 O ATOM 0 H GLU A 4 -3.495 -1.769 8.482 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.367 -3.617 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.373 -3.882 9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.224 -5.149 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.035 -3.633 10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.132 -2.329 10.566 1.00 0.00 H new ATOM 76 N ARG A 5 -3.590 -4.089 6.192 1.00 0.00 N ATOM 77 CA ARG A 5 -3.851 -4.708 4.901 1.00 0.00 C ATOM 78 C ARG A 5 -2.655 -4.553 3.962 1.00 0.00 C ATOM 79 O ARG A 5 -2.229 -5.527 3.341 1.00 0.00 O ATOM 80 CB ARG A 5 -5.163 -4.095 4.381 1.00 0.00 C ATOM 81 CG ARG A 5 -5.389 -4.102 2.875 1.00 0.00 C ATOM 82 CD ARG A 5 -6.880 -4.091 2.522 1.00 0.00 C ATOM 83 NE ARG A 5 -7.623 -2.900 2.992 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.437 -2.834 4.057 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.446 -3.780 4.985 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.274 -1.825 4.227 1.00 0.00 N ATOM 0 H ARG A 5 -4.307 -3.413 6.456 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.978 -5.788 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.992 -4.626 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.212 -3.062 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.904 -3.233 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.920 -4.985 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.983 -4.161 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.345 -4.982 2.945 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.504 -2.043 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.824 -4.584 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.075 -3.704 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.312 -1.072 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.882 -1.799 5.046 1.00 0.00 H new ATOM 100 N ILE A 6 -2.116 -3.342 3.849 1.00 0.00 N ATOM 101 CA ILE A 6 -0.967 -3.036 3.011 1.00 0.00 C ATOM 102 C ILE A 6 0.249 -3.778 3.565 1.00 0.00 C ATOM 103 O ILE A 6 0.893 -4.492 2.798 1.00 0.00 O ATOM 104 CB ILE A 6 -0.788 -1.505 2.907 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.973 -0.910 2.109 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.531 -1.112 2.214 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.185 0.582 2.365 1.00 0.00 C ATOM 0 H ILE A 6 -2.476 -2.530 4.350 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.110 -3.383 1.988 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.759 -1.108 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.801 -1.068 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.884 -1.449 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.608 -0.026 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.373 -1.511 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.547 -1.521 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.031 0.936 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.388 0.744 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.288 1.131 2.079 1.00 0.00 H new ATOM 119 N ARG A 7 0.548 -3.663 4.866 1.00 0.00 N ATOM 120 CA ARG A 7 1.689 -4.357 5.465 1.00 0.00 C ATOM 121 C ARG A 7 1.615 -5.860 5.262 1.00 0.00 C ATOM 122 O ARG A 7 2.593 -6.455 4.813 1.00 0.00 O ATOM 123 CB ARG A 7 1.773 -4.005 6.961 1.00 0.00 C ATOM 124 CG ARG A 7 3.102 -4.412 7.612 1.00 0.00 C ATOM 125 CD ARG A 7 2.924 -5.749 8.340 1.00 0.00 C ATOM 126 NE ARG A 7 4.134 -6.172 9.051 1.00 0.00 N ATOM 127 CZ ARG A 7 4.169 -6.948 10.142 1.00 0.00 C ATOM 128 NH1 ARG A 7 3.056 -7.423 10.687 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.339 -7.239 10.682 1.00 0.00 N ATOM 0 H ARG A 7 0.013 -3.094 5.522 1.00 0.00 H new ATOM 0 HA ARG A 7 2.596 -4.021 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.632 -2.931 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.954 -4.495 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.880 -4.499 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.426 -3.644 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.101 -5.665 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.645 -6.517 7.618 1.00 0.00 H new ATOM 0 HE ARG A 7 5.028 -5.847 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.150 -7.199 10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.106 -8.012 11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.197 -6.874 10.268 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.385 -7.829 11.513 1.00 0.00 H new ATOM 143 N ALA A 8 0.456 -6.456 5.520 1.00 0.00 N ATOM 144 CA ALA A 8 0.241 -7.886 5.433 1.00 0.00 C ATOM 145 C ALA A 8 0.546 -8.350 4.021 1.00 0.00 C ATOM 146 O ALA A 8 1.332 -9.273 3.822 1.00 0.00 O ATOM 147 CB ALA A 8 -1.188 -8.244 5.862 1.00 0.00 C ATOM 0 H ALA A 8 -0.378 -5.940 5.802 1.00 0.00 H new ATOM 0 HA ALA A 8 0.914 -8.404 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.330 -9.322 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.350 -7.925 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.901 -7.740 5.210 1.00 0.00 H new ATOM 153 N ARG A 9 -0.031 -7.672 3.033 1.00 0.00 N ATOM 154 CA ARG A 9 0.109 -8.034 1.636 1.00 0.00 C ATOM 155 C ARG A 9 1.506 -7.726 1.099 1.00 0.00 C ATOM 156 O ARG A 9 2.014 -8.503 0.292 1.00 0.00 O ATOM 157 CB ARG A 9 -1.027 -7.322 0.912 1.00 0.00 C ATOM 158 CG ARG A 9 -1.041 -7.440 -0.602 1.00 0.00 C ATOM 159 CD ARG A 9 -1.314 -8.827 -1.158 1.00 0.00 C ATOM 160 NE ARG A 9 -1.314 -8.751 -2.625 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.576 -9.780 -3.440 1.00 0.00 C ATOM 162 NH1 ARG A 9 -1.961 -10.961 -2.960 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.429 -9.606 -4.743 1.00 0.00 N ATOM 0 H ARG A 9 -0.613 -6.849 3.187 1.00 0.00 H new ATOM 0 HA ARG A 9 0.025 -9.109 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.972 -7.710 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.988 -6.264 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.796 -6.758 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.077 -7.101 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.553 -9.529 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.274 -9.197 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.099 -7.850 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.061 -11.094 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.156 -11.732 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.122 -8.703 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.622 -10.375 -5.385 1.00 0.00 H new ATOM 177 N ARG A 10 2.173 -6.656 1.544 1.00 0.00 N ATOM 178 CA ARG A 10 3.569 -6.424 1.185 1.00 0.00 C ATOM 179 C ARG A 10 4.419 -7.598 1.651 1.00 0.00 C ATOM 180 O ARG A 10 5.231 -8.116 0.889 1.00 0.00 O ATOM 181 CB ARG A 10 4.116 -5.144 1.832 1.00 0.00 C ATOM 182 CG ARG A 10 5.333 -4.654 1.027 1.00 0.00 C ATOM 183 CD ARG A 10 5.827 -3.271 1.450 1.00 0.00 C ATOM 184 NE ARG A 10 5.645 -3.074 2.875 1.00 0.00 N ATOM 185 CZ ARG A 10 6.193 -3.758 3.875 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.242 -4.558 3.710 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.648 -3.605 5.061 1.00 0.00 N ATOM 0 H ARG A 10 1.768 -5.942 2.150 1.00 0.00 H new ATOM 0 HA ARG A 10 3.615 -6.317 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.345 -4.374 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.402 -5.338 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.146 -5.371 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.073 -4.630 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.881 -3.162 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.285 -2.502 0.900 1.00 0.00 H new ATOM 0 HE ARG A 10 5.018 -2.316 3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.660 -4.667 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.629 -5.063 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.846 -2.986 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.027 -4.105 5.865 1.00 0.00 H new ATOM 201 N ILE A 11 4.246 -8.001 2.907 1.00 0.00 N ATOM 202 CA ILE A 11 4.957 -9.112 3.510 1.00 0.00 C ATOM 203 C ILE A 11 4.557 -10.420 2.823 1.00 0.00 C ATOM 204 O ILE A 11 5.413 -11.281 2.645 1.00 0.00 O ATOM 205 CB ILE A 11 4.728 -9.072 5.034 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.407 -7.832 5.679 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.205 -10.344 5.744 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.928 -7.721 5.480 1.00 0.00 C ATOM 0 H ILE A 11 3.590 -7.549 3.545 1.00 0.00 H new ATOM 0 HA ILE A 11 6.034 -9.037 3.362 1.00 0.00 H new ATOM 0 HB ILE A 11 3.648 -9.002 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.940 -6.934 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.200 -7.844 6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.017 -10.256 6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.664 -11.205 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.273 -10.477 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.294 -6.820 5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.416 -8.594 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.153 -7.671 4.415 1.00 0.00 H new ATOM 220 N GLN A 12 3.313 -10.570 2.369 1.00 0.00 N ATOM 221 CA GLN A 12 2.892 -11.671 1.503 1.00 0.00 C ATOM 222 C GLN A 12 3.679 -11.747 0.198 1.00 0.00 C ATOM 223 O GLN A 12 3.968 -12.845 -0.277 1.00 0.00 O ATOM 224 CB GLN A 12 1.384 -11.562 1.214 1.00 0.00 C ATOM 225 CG GLN A 12 0.702 -12.876 0.819 1.00 0.00 C ATOM 226 CD GLN A 12 -0.786 -12.644 0.544 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.507 -12.107 1.376 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.300 -13.009 -0.619 1.00 0.00 N ATOM 0 H GLN A 12 2.559 -9.921 2.595 1.00 0.00 H new ATOM 0 HA GLN A 12 3.102 -12.595 2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.888 -11.165 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.235 -10.838 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.182 -13.290 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.821 -13.609 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.709 -13.457 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.287 -12.842 -0.815 1.00 0.00 H new ATOM 237 N LEU A 13 4.048 -10.607 -0.382 1.00 0.00 N ATOM 238 CA LEU A 13 4.957 -10.549 -1.525 1.00 0.00 C ATOM 239 C LEU A 13 6.419 -10.691 -1.077 1.00 0.00 C ATOM 240 O LEU A 13 7.283 -10.996 -1.897 1.00 0.00 O ATOM 241 CB LEU A 13 4.707 -9.250 -2.309 1.00 0.00 C ATOM 242 CG LEU A 13 5.467 -9.113 -3.645 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.262 -10.305 -4.583 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.986 -7.862 -4.392 1.00 0.00 C ATOM 0 H LEU A 13 3.723 -9.692 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 13 4.759 -11.390 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.639 -9.170 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.975 -8.407 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 13 6.523 -9.054 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.823 -10.144 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.614 -11.215 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.202 -10.406 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.526 -7.771 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.918 -7.946 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.172 -6.979 -3.780 1.00 0.00 H new ATOM 256 N GLY A 14 6.699 -10.531 0.217 1.00 0.00 N ATOM 257 CA GLY A 14 7.987 -10.742 0.859 1.00 0.00 C ATOM 258 C GLY A 14 9.044 -9.751 0.391 1.00 0.00 C ATOM 259 O GLY A 14 10.201 -10.133 0.216 1.00 0.00 O ATOM 0 H GLY A 14 5.985 -10.232 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.868 -10.658 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.329 -11.756 0.654 1.00 0.00 H new ATOM 263 N LEU A 15 8.669 -8.485 0.191 1.00 0.00 N ATOM 264 CA LEU A 15 9.527 -7.384 -0.190 1.00 0.00 C ATOM 265 C LEU A 15 9.465 -6.223 0.802 1.00 0.00 C ATOM 266 O LEU A 15 8.529 -6.094 1.597 1.00 0.00 O ATOM 267 CB LEU A 15 9.248 -7.069 -1.673 1.00 0.00 C ATOM 268 CG LEU A 15 8.367 -5.834 -1.904 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.442 -5.314 -3.341 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.915 -6.215 -1.637 1.00 0.00 C ATOM 0 H LEU A 15 7.697 -8.194 0.300 1.00 0.00 H new ATOM 0 HA LEU A 15 10.583 -7.647 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.199 -6.923 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.768 -7.934 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 15 8.727 -5.053 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.799 -4.440 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.470 -5.038 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.110 -6.093 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.276 -5.347 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.618 -7.015 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.812 -6.556 -0.607 1.00 0.00 H new ATOM 282 N ASN A 16 10.449 -5.331 0.706 1.00 0.00 N ATOM 283 CA ASN A 16 10.659 -4.280 1.700 1.00 0.00 C ATOM 284 C ASN A 16 9.738 -3.101 1.396 1.00 0.00 C ATOM 285 O ASN A 16 9.224 -2.970 0.282 1.00 0.00 O ATOM 286 CB ASN A 16 12.106 -3.764 1.659 1.00 0.00 C ATOM 287 CG ASN A 16 13.144 -4.823 1.990 1.00 0.00 C ATOM 288 OD1 ASN A 16 13.517 -4.960 3.153 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.645 -5.588 1.035 1.00 0.00 N ATOM 0 H ASN A 16 11.122 -5.316 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 16 10.448 -4.702 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.312 -3.365 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.207 -2.937 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.344 -6.295 1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.333 -5.471 0.071 1.00 0.00 H new ATOM 296 N GLN A 17 9.564 -2.200 2.365 1.00 0.00 N ATOM 297 CA GLN A 17 8.783 -0.981 2.201 1.00 0.00 C ATOM 298 C GLN A 17 9.405 -0.121 1.102 1.00 0.00 C ATOM 299 O GLN A 17 8.674 0.404 0.268 1.00 0.00 O ATOM 300 CB GLN A 17 8.698 -0.252 3.552 1.00 0.00 C ATOM 301 CG GLN A 17 7.881 -1.088 4.551 1.00 0.00 C ATOM 302 CD GLN A 17 8.057 -0.651 5.992 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.481 -1.425 6.847 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.753 0.599 6.256 1.00 0.00 N ATOM 0 H GLN A 17 9.968 -2.302 3.296 1.00 0.00 H new ATOM 0 HA GLN A 17 7.764 -1.211 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.700 -0.079 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.234 0.725 3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.825 -1.025 4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.171 -2.135 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.404 1.206 5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.866 0.962 7.202 1.00 0.00 H new ATOM 313 N ALA A 18 10.738 -0.036 1.076 1.00 0.00 N ATOM 314 CA ALA A 18 11.537 0.671 0.094 1.00 0.00 C ATOM 315 C ALA A 18 11.242 0.122 -1.294 1.00 0.00 C ATOM 316 O ALA A 18 10.917 0.870 -2.204 1.00 0.00 O ATOM 317 CB ALA A 18 13.018 0.489 0.449 1.00 0.00 C ATOM 0 H ALA A 18 11.314 -0.489 1.786 1.00 0.00 H new ATOM 0 HA ALA A 18 11.295 1.734 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.634 1.015 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.206 0.895 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.267 -0.572 0.437 1.00 0.00 H new ATOM 323 N GLU A 19 11.342 -1.194 -1.449 1.00 0.00 N ATOM 324 CA GLU A 19 11.166 -1.847 -2.735 1.00 0.00 C ATOM 325 C GLU A 19 9.750 -1.698 -3.273 1.00 0.00 C ATOM 326 O GLU A 19 9.582 -1.384 -4.452 1.00 0.00 O ATOM 327 CB GLU A 19 11.520 -3.322 -2.615 1.00 0.00 C ATOM 328 CG GLU A 19 12.997 -3.494 -2.272 1.00 0.00 C ATOM 329 CD GLU A 19 13.463 -4.877 -2.689 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.615 -5.121 -3.911 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.627 -5.733 -1.794 1.00 0.00 O ATOM 0 H GLU A 19 11.548 -1.836 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 19 11.835 -1.357 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.906 -3.787 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.297 -3.832 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.589 -2.732 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.150 -3.356 -1.202 1.00 0.00 H new ATOM 338 N LEU A 20 8.731 -1.903 -2.426 1.00 0.00 N ATOM 339 CA LEU A 20 7.357 -1.655 -2.837 1.00 0.00 C ATOM 340 C LEU A 20 7.260 -0.210 -3.300 1.00 0.00 C ATOM 341 O LEU A 20 6.840 0.035 -4.427 1.00 0.00 O ATOM 342 CB LEU A 20 6.354 -1.957 -1.708 1.00 0.00 C ATOM 343 CG LEU A 20 4.897 -1.793 -2.200 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.459 -2.993 -3.045 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.894 -1.623 -1.061 1.00 0.00 C ATOM 0 H LEU A 20 8.837 -2.235 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 20 7.094 -2.326 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.506 -2.973 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.535 -1.287 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 20 4.898 -0.883 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.431 -2.849 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.111 -3.083 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.523 -3.902 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.891 -1.513 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.926 -2.500 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.148 -0.735 -0.482 1.00 0.00 H new ATOM 357 N ALA A 21 7.675 0.723 -2.444 1.00 0.00 N ATOM 358 CA ALA A 21 7.633 2.147 -2.711 1.00 0.00 C ATOM 359 C ALA A 21 8.236 2.472 -4.069 1.00 0.00 C ATOM 360 O ALA A 21 7.555 3.069 -4.895 1.00 0.00 O ATOM 361 CB ALA A 21 8.356 2.929 -1.616 1.00 0.00 C ATOM 0 H ALA A 21 8.058 0.497 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 21 6.585 2.446 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.310 3.995 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.876 2.739 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.398 2.612 -1.570 1.00 0.00 H new ATOM 367 N GLN A 22 9.470 2.035 -4.313 1.00 0.00 N ATOM 368 CA GLN A 22 10.228 2.280 -5.528 1.00 0.00 C ATOM 369 C GLN A 22 9.444 1.788 -6.739 1.00 0.00 C ATOM 370 O GLN A 22 9.314 2.508 -7.728 1.00 0.00 O ATOM 371 CB GLN A 22 11.593 1.579 -5.407 1.00 0.00 C ATOM 372 CG GLN A 22 12.552 2.358 -4.486 1.00 0.00 C ATOM 373 CD GLN A 22 13.541 1.502 -3.690 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.026 1.934 -2.645 1.00 0.00 O ATOM 375 NE2 GLN A 22 13.905 0.306 -4.118 1.00 0.00 N ATOM 0 H GLN A 22 9.988 1.476 -3.635 1.00 0.00 H new ATOM 0 HA GLN A 22 10.396 3.348 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.452 0.571 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.040 1.478 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.117 3.065 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.958 2.944 -3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.513 -0.068 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.578 -0.244 -3.584 1.00 0.00 H new ATOM 384 N LYS A 23 8.866 0.585 -6.680 1.00 0.00 N ATOM 385 CA LYS A 23 8.102 0.051 -7.791 1.00 0.00 C ATOM 386 C LYS A 23 6.805 0.830 -8.038 1.00 0.00 C ATOM 387 O LYS A 23 6.423 1.009 -9.195 1.00 0.00 O ATOM 388 CB LYS A 23 7.950 -1.464 -7.595 1.00 0.00 C ATOM 389 CG LYS A 23 6.534 -1.932 -7.264 1.00 0.00 C ATOM 390 CD LYS A 23 6.527 -3.425 -6.963 1.00 0.00 C ATOM 391 CE LYS A 23 5.073 -3.828 -6.743 1.00 0.00 C ATOM 392 NZ LYS A 23 4.948 -5.280 -6.487 1.00 0.00 N ATOM 0 H LYS A 23 8.918 -0.032 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 23 8.638 0.193 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.280 -1.968 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.618 -1.781 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.153 -1.379 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.869 -1.720 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.962 -3.987 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.126 -3.643 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.663 -3.272 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.483 -3.559 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.949 -5.561 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.508 -5.806 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.299 -5.496 -5.532 1.00 0.00 H new ATOM 406 N VAL A 24 6.141 1.346 -7.002 1.00 0.00 N ATOM 407 CA VAL A 24 4.969 2.195 -7.161 1.00 0.00 C ATOM 408 C VAL A 24 5.401 3.658 -7.446 1.00 0.00 C ATOM 409 O VAL A 24 4.585 4.529 -7.755 1.00 0.00 O ATOM 410 CB VAL A 24 4.128 2.079 -5.879 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.682 2.452 -6.183 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.032 0.711 -5.169 1.00 0.00 C ATOM 0 H VAL A 24 6.405 1.184 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 24 4.368 1.876 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 24 4.672 2.742 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.086 2.370 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.641 3.477 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.284 1.777 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.402 0.804 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.597 -0.022 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.029 0.384 -4.873 1.00 0.00 H new ATOM 422 N GLY A 25 6.697 3.950 -7.329 1.00 0.00 N ATOM 423 CA GLY A 25 7.336 5.235 -7.563 1.00 0.00 C ATOM 424 C GLY A 25 7.009 6.272 -6.496 1.00 0.00 C ATOM 425 O GLY A 25 6.848 7.457 -6.796 1.00 0.00 O ATOM 0 H GLY A 25 7.372 3.239 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.416 5.094 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.027 5.615 -8.537 1.00 0.00 H new ATOM 429 N VAL A 26 6.770 5.813 -5.279 1.00 0.00 N ATOM 430 CA VAL A 26 6.584 6.588 -4.085 1.00 0.00 C ATOM 431 C VAL A 26 7.812 6.481 -3.178 1.00 0.00 C ATOM 432 O VAL A 26 8.771 5.769 -3.485 1.00 0.00 O ATOM 433 CB VAL A 26 5.253 6.168 -3.456 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.099 6.333 -4.455 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.212 4.752 -2.879 1.00 0.00 C ATOM 0 H VAL A 26 6.697 4.812 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 26 6.508 7.655 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 26 5.140 6.843 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.164 6.028 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.028 7.377 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.284 5.711 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.225 4.559 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.418 4.031 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.964 4.656 -2.096 1.00 0.00 H new ATOM 445 N ASP A 27 7.800 7.210 -2.066 1.00 0.00 N ATOM 446 CA ASP A 27 8.820 7.170 -1.035 1.00 0.00 C ATOM 447 C ASP A 27 8.543 5.967 -0.132 1.00 0.00 C ATOM 448 O ASP A 27 7.385 5.583 0.056 1.00 0.00 O ATOM 449 CB ASP A 27 8.776 8.444 -0.166 1.00 0.00 C ATOM 450 CG ASP A 27 7.521 9.310 -0.229 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.280 9.975 -1.265 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.784 9.365 0.774 1.00 0.00 O ATOM 0 H ASP A 27 7.050 7.868 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 27 9.798 7.098 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.924 8.146 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.626 9.067 -0.443 1.00 0.00 H new ATOM 457 N GLN A 28 9.580 5.425 0.523 1.00 0.00 N ATOM 458 CA GLN A 28 9.403 4.428 1.583 1.00 0.00 C ATOM 459 C GLN A 28 8.461 4.989 2.655 1.00 0.00 C ATOM 460 O GLN A 28 7.610 4.274 3.183 1.00 0.00 O ATOM 461 CB GLN A 28 10.758 4.073 2.210 1.00 0.00 C ATOM 462 CG GLN A 28 10.620 2.908 3.204 1.00 0.00 C ATOM 463 CD GLN A 28 11.816 2.807 4.134 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.784 2.104 3.852 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.747 3.501 5.255 1.00 0.00 N ATOM 0 H GLN A 28 10.554 5.663 0.334 1.00 0.00 H new ATOM 0 HA GLN A 28 8.971 3.523 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.466 3.804 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.165 4.945 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.713 3.040 3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.509 1.974 2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.925 4.073 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.515 3.466 5.925 1.00 0.00 H new ATOM 474 N GLN A 29 8.618 6.277 2.965 1.00 0.00 N ATOM 475 CA GLN A 29 7.818 7.007 3.929 1.00 0.00 C ATOM 476 C GLN A 29 6.328 6.910 3.581 1.00 0.00 C ATOM 477 O GLN A 29 5.519 6.704 4.480 1.00 0.00 O ATOM 478 CB GLN A 29 8.336 8.454 4.004 1.00 0.00 C ATOM 479 CG GLN A 29 8.174 9.127 5.370 1.00 0.00 C ATOM 480 CD GLN A 29 6.763 9.618 5.676 1.00 0.00 C ATOM 481 OE1 GLN A 29 6.066 9.062 6.519 1.00 0.00 O ATOM 482 NE2 GLN A 29 6.342 10.718 5.073 1.00 0.00 N ATOM 0 H GLN A 29 9.336 6.856 2.530 1.00 0.00 H new ATOM 0 HA GLN A 29 7.916 6.567 4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.392 8.461 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.813 9.051 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.475 8.422 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.859 9.973 5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.929 11.173 4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.431 11.111 5.308 1.00 0.00 H new ATOM 491 N ALA A 30 5.945 7.056 2.306 1.00 0.00 N ATOM 492 CA ALA A 30 4.566 6.875 1.865 1.00 0.00 C ATOM 493 C ALA A 30 4.026 5.498 2.251 1.00 0.00 C ATOM 494 O ALA A 30 2.877 5.407 2.676 1.00 0.00 O ATOM 495 CB ALA A 30 4.415 7.090 0.355 1.00 0.00 C ATOM 0 H ALA A 30 6.588 7.303 1.554 1.00 0.00 H new ATOM 0 HA ALA A 30 3.977 7.635 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.373 6.946 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.724 8.103 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.040 6.374 -0.179 1.00 0.00 H new ATOM 501 N ILE A 31 4.823 4.434 2.118 1.00 0.00 N ATOM 502 CA ILE A 31 4.388 3.092 2.494 1.00 0.00 C ATOM 503 C ILE A 31 4.302 3.000 4.018 1.00 0.00 C ATOM 504 O ILE A 31 3.321 2.474 4.530 1.00 0.00 O ATOM 505 CB ILE A 31 5.313 2.023 1.871 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.413 2.161 0.337 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.882 0.593 2.234 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.090 2.231 -0.441 1.00 0.00 C ATOM 0 H ILE A 31 5.774 4.479 1.752 1.00 0.00 H new ATOM 0 HA ILE A 31 3.393 2.894 2.096 1.00 0.00 H new ATOM 0 HB ILE A 31 6.299 2.203 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.986 3.061 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.986 1.315 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.564 -0.121 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.906 0.469 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.870 0.415 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.299 2.327 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.515 1.322 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.516 3.094 -0.105 1.00 0.00 H new ATOM 520 N GLU A 32 5.276 3.542 4.754 1.00 0.00 N ATOM 521 CA GLU A 32 5.247 3.550 6.215 1.00 0.00 C ATOM 522 C GLU A 32 3.971 4.227 6.713 1.00 0.00 C ATOM 523 O GLU A 32 3.257 3.679 7.557 1.00 0.00 O ATOM 524 CB GLU A 32 6.514 4.233 6.772 1.00 0.00 C ATOM 525 CG GLU A 32 6.283 4.683 8.221 1.00 0.00 C ATOM 526 CD GLU A 32 7.527 5.095 8.990 1.00 0.00 C ATOM 527 OE1 GLU A 32 8.344 5.877 8.456 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.603 4.741 10.191 1.00 0.00 O ATOM 0 H GLU A 32 6.103 3.985 4.354 1.00 0.00 H new ATOM 0 HA GLU A 32 5.240 2.523 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.357 3.543 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.774 5.093 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.588 5.522 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.797 3.871 8.761 1.00 0.00 H new ATOM 535 N GLN A 33 3.695 5.438 6.229 1.00 0.00 N ATOM 536 CA GLN A 33 2.567 6.188 6.738 1.00 0.00 C ATOM 537 C GLN A 33 1.258 5.481 6.397 1.00 0.00 C ATOM 538 O GLN A 33 0.326 5.491 7.196 1.00 0.00 O ATOM 539 CB GLN A 33 2.611 7.646 6.288 1.00 0.00 C ATOM 540 CG GLN A 33 2.231 7.841 4.826 1.00 0.00 C ATOM 541 CD GLN A 33 2.205 9.319 4.467 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.189 9.985 4.641 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.305 9.880 4.007 1.00 0.00 N ATOM 0 H GLN A 33 4.231 5.907 5.499 1.00 0.00 H new ATOM 0 HA GLN A 33 2.629 6.221 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.936 8.231 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.615 8.038 6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.944 7.320 4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.252 7.399 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.144 9.317 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.318 10.877 3.792 1.00 0.00 H new ATOM 552 N LEU A 34 1.191 4.838 5.232 1.00 0.00 N ATOM 553 CA LEU A 34 0.022 4.116 4.784 1.00 0.00 C ATOM 554 C LEU A 34 -0.196 2.965 5.746 1.00 0.00 C ATOM 555 O LEU A 34 -1.319 2.743 6.181 1.00 0.00 O ATOM 556 CB LEU A 34 0.308 3.552 3.392 1.00 0.00 C ATOM 557 CG LEU A 34 -0.383 4.382 2.313 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.233 4.002 0.970 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.896 4.196 2.220 1.00 0.00 C ATOM 0 H LEU A 34 1.965 4.809 4.569 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.855 4.763 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.383 3.541 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.035 2.519 3.337 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.230 5.427 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.241 4.579 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.302 4.216 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.079 2.939 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.292 4.828 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.121 3.152 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.356 4.475 3.168 1.00 0.00 H new ATOM 571 N GLU A 35 0.881 2.256 6.078 1.00 0.00 N ATOM 572 CA GLU A 35 0.864 1.089 6.947 1.00 0.00 C ATOM 573 C GLU A 35 0.474 1.432 8.386 1.00 0.00 C ATOM 574 O GLU A 35 -0.116 0.591 9.075 1.00 0.00 O ATOM 575 CB GLU A 35 2.182 0.319 6.850 1.00 0.00 C ATOM 576 CG GLU A 35 2.219 -0.424 5.504 1.00 0.00 C ATOM 577 CD GLU A 35 3.483 -1.246 5.284 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.297 -1.445 6.213 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.656 -1.777 4.167 1.00 0.00 O ATOM 0 H GLU A 35 1.815 2.487 5.738 1.00 0.00 H new ATOM 0 HA GLU A 35 0.077 0.424 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.027 1.004 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.268 -0.388 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.354 -1.084 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.125 0.303 4.697 1.00 0.00 H new ATOM 586 N ASN A 36 0.719 2.669 8.832 1.00 0.00 N ATOM 587 CA ASN A 36 0.182 3.180 10.087 1.00 0.00 C ATOM 588 C ASN A 36 -1.257 3.712 9.964 1.00 0.00 C ATOM 589 O ASN A 36 -1.894 3.975 10.984 1.00 0.00 O ATOM 590 CB ASN A 36 1.164 4.181 10.716 1.00 0.00 C ATOM 591 CG ASN A 36 0.936 5.666 10.451 1.00 0.00 C ATOM 592 OD1 ASN A 36 -0.139 6.209 10.654 1.00 0.00 O ATOM 593 ND2 ASN A 36 1.985 6.388 10.098 1.00 0.00 N ATOM 0 H ASN A 36 1.297 3.341 8.328 1.00 0.00 H new ATOM 0 HA ASN A 36 0.088 2.341 10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.152 4.028 11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.166 3.929 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.897 7.399 9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.883 5.934 9.929 1.00 0.00 H new ATOM 600 N GLY A 37 -1.793 3.839 8.748 1.00 0.00 N ATOM 601 CA GLY A 37 -3.150 4.297 8.471 1.00 0.00 C ATOM 602 C GLY A 37 -3.244 5.795 8.170 1.00 0.00 C ATOM 603 O GLY A 37 -4.346 6.315 8.019 1.00 0.00 O ATOM 0 H GLY A 37 -1.272 3.617 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.546 3.739 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.784 4.067 9.328 1.00 0.00 H new ATOM 607 N LYS A 38 -2.118 6.511 8.095 1.00 0.00 N ATOM 608 CA LYS A 38 -2.079 7.968 8.026 1.00 0.00 C ATOM 609 C LYS A 38 -2.499 8.489 6.653 1.00 0.00 C ATOM 610 O LYS A 38 -3.061 9.582 6.606 1.00 0.00 O ATOM 611 CB LYS A 38 -0.705 8.449 8.542 1.00 0.00 C ATOM 612 CG LYS A 38 -0.062 9.658 7.866 1.00 0.00 C ATOM 613 CD LYS A 38 -0.711 11.017 8.168 1.00 0.00 C ATOM 614 CE LYS A 38 -0.720 11.967 6.959 1.00 0.00 C ATOM 615 NZ LYS A 38 0.598 12.128 6.316 1.00 0.00 N ATOM 0 H LYS A 38 -1.193 6.082 8.081 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.827 8.408 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.809 8.677 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.009 7.614 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.985 9.703 8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.080 9.500 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.736 10.856 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.177 11.492 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.430 11.594 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.079 12.945 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.653 13.064 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.347 12.045 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.725 11.389 5.595 1.00 0.00 H new ATOM 629 N ALA A 39 -2.267 7.776 5.542 1.00 0.00 N ATOM 630 CA ALA A 39 -2.842 8.167 4.261 1.00 0.00 C ATOM 631 C ALA A 39 -4.126 7.360 4.054 1.00 0.00 C ATOM 632 O ALA A 39 -4.065 6.208 3.628 1.00 0.00 O ATOM 633 CB ALA A 39 -1.818 7.949 3.150 1.00 0.00 C ATOM 0 H ALA A 39 -1.691 6.935 5.510 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.098 9.226 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.251 8.242 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.932 8.553 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.539 6.896 3.114 1.00 0.00 H new ATOM 639 N LYS A 40 -5.281 7.958 4.357 1.00 0.00 N ATOM 640 CA LYS A 40 -6.610 7.356 4.229 1.00 0.00 C ATOM 641 C LYS A 40 -6.821 6.796 2.832 1.00 0.00 C ATOM 642 O LYS A 40 -7.029 5.594 2.655 1.00 0.00 O ATOM 643 CB LYS A 40 -7.656 8.416 4.611 1.00 0.00 C ATOM 644 CG LYS A 40 -9.074 7.879 4.844 1.00 0.00 C ATOM 645 CD LYS A 40 -9.897 7.719 3.553 1.00 0.00 C ATOM 646 CE LYS A 40 -11.384 7.686 3.930 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.286 7.796 2.764 1.00 0.00 N ATOM 0 H LYS A 40 -5.317 8.913 4.713 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.712 6.507 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.323 8.922 5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.694 9.167 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.009 6.913 5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.601 8.553 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.697 8.545 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.616 6.802 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.597 6.757 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.594 8.502 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.275 7.767 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.108 8.694 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.111 7.004 2.114 1.00 0.00 H new ATOM 661 N ARG A 41 -6.774 7.671 1.828 1.00 0.00 N ATOM 662 CA ARG A 41 -6.675 7.300 0.434 1.00 0.00 C ATOM 663 C ARG A 41 -5.378 7.941 -0.039 1.00 0.00 C ATOM 664 O ARG A 41 -5.311 9.171 -0.025 1.00 0.00 O ATOM 665 CB ARG A 41 -7.893 7.817 -0.333 1.00 0.00 C ATOM 666 CG ARG A 41 -7.660 7.726 -1.852 1.00 0.00 C ATOM 667 CD ARG A 41 -8.966 7.642 -2.645 1.00 0.00 C ATOM 668 NE ARG A 41 -9.573 8.962 -2.797 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.666 9.245 -3.504 1.00 0.00 C ATOM 670 NH1 ARG A 41 -11.499 8.291 -3.908 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.891 10.517 -3.800 1.00 0.00 N ATOM 0 H ARG A 41 -6.805 8.680 1.975 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.661 6.222 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.774 7.236 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.093 8.851 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.095 8.598 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.050 6.849 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.772 7.212 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.662 6.974 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.118 9.739 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.308 7.316 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.329 8.534 -4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.239 11.236 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.717 10.777 -4.340 1.00 0.00 H new ATOM 685 N PRO A 42 -4.346 7.176 -0.412 1.00 0.00 N ATOM 686 CA PRO A 42 -3.148 7.761 -0.990 1.00 0.00 C ATOM 687 C PRO A 42 -3.490 8.321 -2.376 1.00 0.00 C ATOM 688 O PRO A 42 -4.355 7.773 -3.066 1.00 0.00 O ATOM 689 CB PRO A 42 -2.143 6.610 -1.050 1.00 0.00 C ATOM 690 CG PRO A 42 -3.011 5.355 -1.168 1.00 0.00 C ATOM 691 CD PRO A 42 -4.318 5.723 -0.467 1.00 0.00 C ATOM 0 HA PRO A 42 -2.738 8.592 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.473 6.712 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.519 6.580 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.182 5.088 -2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.534 4.497 -0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.177 5.336 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.359 5.293 0.534 1.00 0.00 H new ATOM 699 N ARG A 43 -2.776 9.353 -2.847 1.00 0.00 N ATOM 700 CA ARG A 43 -3.023 9.905 -4.190 1.00 0.00 C ATOM 701 C ARG A 43 -2.834 8.845 -5.273 1.00 0.00 C ATOM 702 O ARG A 43 -3.429 8.918 -6.348 1.00 0.00 O ATOM 703 CB ARG A 43 -2.138 11.136 -4.477 1.00 0.00 C ATOM 704 CG ARG A 43 -0.651 10.828 -4.733 1.00 0.00 C ATOM 705 CD ARG A 43 0.115 12.067 -5.195 1.00 0.00 C ATOM 706 NE ARG A 43 1.555 11.783 -5.332 1.00 0.00 N ATOM 707 CZ ARG A 43 2.218 11.448 -6.445 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.630 11.431 -7.635 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.501 11.124 -6.385 1.00 0.00 N ATOM 0 H ARG A 43 -2.032 9.819 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.063 10.231 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.539 11.658 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.211 11.821 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.198 10.440 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.567 10.046 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.283 12.409 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.032 12.876 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 43 2.111 11.850 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.644 11.678 -7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.164 11.171 -8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.987 11.129 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.003 10.869 -7.236 1.00 0.00 H new ATOM 723 N PHE A 44 -1.968 7.875 -4.998 1.00 0.00 N ATOM 724 CA PHE A 44 -1.505 6.852 -5.910 1.00 0.00 C ATOM 725 C PHE A 44 -2.234 5.529 -5.646 1.00 0.00 C ATOM 726 O PHE A 44 -1.722 4.483 -6.016 1.00 0.00 O ATOM 727 CB PHE A 44 0.025 6.758 -5.777 1.00 0.00 C ATOM 728 CG PHE A 44 0.517 6.403 -4.386 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.771 7.404 -3.427 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.732 5.056 -4.054 1.00 0.00 C ATOM 731 CE1 PHE A 44 1.180 7.053 -2.128 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.135 4.702 -2.756 1.00 0.00 C ATOM 733 CZ PHE A 44 1.338 5.698 -1.790 1.00 0.00 C ATOM 0 H PHE A 44 -1.549 7.783 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.737 7.104 -6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.393 6.010 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.461 7.713 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.651 8.444 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.587 4.289 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.372 7.821 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.288 3.664 -2.502 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.617 5.423 -0.783 1.00 0.00 H new ATOM 743 N LEU A 45 -3.415 5.542 -5.014 1.00 0.00 N ATOM 744 CA LEU A 45 -4.229 4.370 -4.709 1.00 0.00 C ATOM 745 C LEU A 45 -4.313 3.338 -5.846 1.00 0.00 C ATOM 746 O LEU A 45 -4.008 2.178 -5.568 1.00 0.00 O ATOM 747 CB LEU A 45 -5.595 4.870 -4.198 1.00 0.00 C ATOM 748 CG LEU A 45 -6.622 3.767 -3.923 1.00 0.00 C ATOM 749 CD1 LEU A 45 -6.158 2.778 -2.859 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.940 4.366 -3.431 1.00 0.00 C ATOM 0 H LEU A 45 -3.843 6.409 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.742 3.790 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.438 5.438 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.011 5.560 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.749 3.244 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.926 2.020 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.235 2.299 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.980 3.307 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.655 3.566 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.766 4.922 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.340 5.038 -4.190 1.00 0.00 H new ATOM 762 N PRO A 46 -4.659 3.681 -7.101 1.00 0.00 N ATOM 763 CA PRO A 46 -4.699 2.683 -8.166 1.00 0.00 C ATOM 764 C PRO A 46 -3.312 2.182 -8.560 1.00 0.00 C ATOM 765 O PRO A 46 -3.181 1.023 -8.948 1.00 0.00 O ATOM 766 CB PRO A 46 -5.422 3.350 -9.333 1.00 0.00 C ATOM 767 CG PRO A 46 -5.141 4.835 -9.124 1.00 0.00 C ATOM 768 CD PRO A 46 -5.104 4.974 -7.603 1.00 0.00 C ATOM 0 HA PRO A 46 -5.222 1.786 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.042 3.001 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.491 3.138 -9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.196 5.134 -9.578 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.919 5.458 -9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.422 5.768 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.088 5.230 -7.209 1.00 0.00 H new ATOM 776 N GLU A 47 -2.279 3.008 -8.412 1.00 0.00 N ATOM 777 CA GLU A 47 -0.903 2.622 -8.679 1.00 0.00 C ATOM 778 C GLU A 47 -0.483 1.593 -7.633 1.00 0.00 C ATOM 779 O GLU A 47 0.057 0.543 -7.970 1.00 0.00 O ATOM 780 CB GLU A 47 0.025 3.855 -8.642 1.00 0.00 C ATOM 781 CG GLU A 47 0.818 4.097 -9.930 1.00 0.00 C ATOM 782 CD GLU A 47 1.495 2.837 -10.467 1.00 0.00 C ATOM 783 OE1 GLU A 47 2.622 2.502 -10.027 1.00 0.00 O ATOM 784 OE2 GLU A 47 0.875 2.213 -11.353 1.00 0.00 O ATOM 0 H GLU A 47 -2.379 3.974 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.825 2.187 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.576 4.739 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.726 3.740 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.148 4.494 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.576 4.858 -9.744 1.00 0.00 H new ATOM 791 N LEU A 48 -0.771 1.871 -6.355 1.00 0.00 N ATOM 792 CA LEU A 48 -0.454 0.989 -5.255 1.00 0.00 C ATOM 793 C LEU A 48 -1.191 -0.314 -5.474 1.00 0.00 C ATOM 794 O LEU A 48 -0.560 -1.355 -5.418 1.00 0.00 O ATOM 795 CB LEU A 48 -0.820 1.633 -3.925 1.00 0.00 C ATOM 796 CG LEU A 48 -0.074 1.077 -2.690 1.00 0.00 C ATOM 797 CD1 LEU A 48 -0.810 1.512 -1.427 1.00 0.00 C ATOM 798 CD2 LEU A 48 0.136 -0.433 -2.593 1.00 0.00 C ATOM 0 H LEU A 48 -1.238 2.731 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 48 0.618 0.794 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.626 2.703 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.892 1.513 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 48 0.927 1.493 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.290 1.124 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.839 2.601 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.828 1.123 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.673 -0.667 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.831 -0.935 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.717 -0.775 -3.450 1.00 0.00 H new ATOM 810 N ALA A 49 -2.496 -0.281 -5.752 1.00 0.00 N ATOM 811 CA ALA A 49 -3.242 -1.517 -5.956 1.00 0.00 C ATOM 812 C ALA A 49 -2.685 -2.327 -7.129 1.00 0.00 C ATOM 813 O ALA A 49 -2.470 -3.530 -6.980 1.00 0.00 O ATOM 814 CB ALA A 49 -4.728 -1.209 -6.163 1.00 0.00 C ATOM 0 H ALA A 49 -3.047 0.573 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.131 -2.128 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.275 -2.140 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.119 -0.697 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.849 -0.571 -7.038 1.00 0.00 H new ATOM 820 N ARG A 50 -2.382 -1.692 -8.264 1.00 0.00 N ATOM 821 CA ARG A 50 -1.792 -2.356 -9.420 1.00 0.00 C ATOM 822 C ARG A 50 -0.470 -3.007 -9.038 1.00 0.00 C ATOM 823 O ARG A 50 -0.253 -4.179 -9.354 1.00 0.00 O ATOM 824 CB ARG A 50 -1.601 -1.304 -10.528 1.00 0.00 C ATOM 825 CG ARG A 50 -1.118 -1.875 -11.866 1.00 0.00 C ATOM 826 CD ARG A 50 -0.499 -0.765 -12.727 1.00 0.00 C ATOM 827 NE ARG A 50 0.928 -0.553 -12.418 1.00 0.00 N ATOM 828 CZ ARG A 50 1.786 0.175 -13.145 1.00 0.00 C ATOM 829 NH1 ARG A 50 1.342 0.941 -14.141 1.00 0.00 N ATOM 830 NH2 ARG A 50 3.086 0.105 -12.884 1.00 0.00 N ATOM 0 H ARG A 50 -2.542 -0.694 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.447 -3.149 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.547 -0.786 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.884 -0.558 -10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.383 -2.660 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.953 -2.333 -12.396 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.607 -1.022 -13.781 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.046 0.164 -12.568 1.00 0.00 H new ATOM 0 HE ARG A 50 1.293 -1.000 -11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.345 0.975 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.999 1.493 -14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.424 -0.499 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.747 0.656 -13.432 1.00 0.00 H new ATOM 844 N ALA A 51 0.404 -2.264 -8.362 1.00 0.00 N ATOM 845 CA ALA A 51 1.701 -2.721 -7.903 1.00 0.00 C ATOM 846 C ALA A 51 1.539 -3.880 -6.914 1.00 0.00 C ATOM 847 O ALA A 51 2.208 -4.908 -7.043 1.00 0.00 O ATOM 848 CB ALA A 51 2.438 -1.529 -7.278 1.00 0.00 C ATOM 0 H ALA A 51 0.215 -1.293 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 51 2.290 -3.101 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.418 -1.851 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.561 -0.745 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.859 -1.143 -6.439 1.00 0.00 H new ATOM 854 N LEU A 52 0.662 -3.736 -5.920 1.00 0.00 N ATOM 855 CA LEU A 52 0.364 -4.743 -4.910 1.00 0.00 C ATOM 856 C LEU A 52 -0.292 -5.979 -5.530 1.00 0.00 C ATOM 857 O LEU A 52 -0.225 -7.067 -4.956 1.00 0.00 O ATOM 858 CB LEU A 52 -0.505 -4.115 -3.819 1.00 0.00 C ATOM 859 CG LEU A 52 -0.282 -4.708 -2.431 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.134 -4.499 -1.852 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.245 -4.041 -1.452 1.00 0.00 C ATOM 0 H LEU A 52 0.121 -2.881 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 52 1.294 -5.088 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.306 -3.044 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.554 -4.235 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.438 -5.780 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.194 -4.955 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.868 -4.962 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.341 -3.432 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.096 -4.456 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.056 -2.968 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.271 -4.222 -1.771 1.00 0.00 H new ATOM 873 N GLY A 53 -0.927 -5.830 -6.692 1.00 0.00 N ATOM 874 CA GLY A 53 -1.555 -6.906 -7.432 1.00 0.00 C ATOM 875 C GLY A 53 -2.945 -7.198 -6.895 1.00 0.00 C ATOM 876 O GLY A 53 -3.304 -8.364 -6.753 1.00 0.00 O ATOM 0 H GLY A 53 -1.017 -4.925 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.618 -6.638 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.940 -7.804 -7.367 1.00 0.00 H new ATOM 880 N VAL A 54 -3.692 -6.159 -6.526 1.00 0.00 N ATOM 881 CA VAL A 54 -5.031 -6.267 -5.959 1.00 0.00 C ATOM 882 C VAL A 54 -5.926 -5.202 -6.606 1.00 0.00 C ATOM 883 O VAL A 54 -5.444 -4.372 -7.384 1.00 0.00 O ATOM 884 CB VAL A 54 -4.974 -6.167 -4.415 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.019 -7.188 -3.776 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.559 -4.766 -3.951 1.00 0.00 C ATOM 0 H VAL A 54 -3.373 -5.195 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.466 -7.242 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.989 -6.387 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.026 -7.064 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.344 -8.197 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.009 -7.027 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.531 -4.737 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.571 -4.530 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.280 -4.034 -4.315 1.00 0.00 H new ATOM 896 N ALA A 55 -7.223 -5.201 -6.292 1.00 0.00 N ATOM 897 CA ALA A 55 -8.124 -4.126 -6.689 1.00 0.00 C ATOM 898 C ALA A 55 -7.908 -2.881 -5.825 1.00 0.00 C ATOM 899 O ALA A 55 -7.554 -2.984 -4.653 1.00 0.00 O ATOM 900 CB ALA A 55 -9.572 -4.611 -6.557 1.00 0.00 C ATOM 0 H ALA A 55 -7.673 -5.944 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.916 -3.856 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.252 -3.812 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.726 -5.476 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.769 -4.891 -5.522 1.00 0.00 H new ATOM 906 N VAL A 56 -8.260 -1.707 -6.347 1.00 0.00 N ATOM 907 CA VAL A 56 -8.462 -0.489 -5.561 1.00 0.00 C ATOM 908 C VAL A 56 -9.505 -0.757 -4.492 1.00 0.00 C ATOM 909 O VAL A 56 -9.310 -0.344 -3.353 1.00 0.00 O ATOM 910 CB VAL A 56 -8.911 0.635 -6.525 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.566 1.838 -5.836 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.712 1.140 -7.322 1.00 0.00 C ATOM 0 H VAL A 56 -8.416 -1.572 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.543 -0.180 -5.062 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.667 0.181 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.849 2.577 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.454 1.509 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.861 2.284 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.033 1.931 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.959 1.531 -6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.287 0.319 -7.899 1.00 0.00 H new ATOM 922 N ASP A 57 -10.592 -1.463 -4.808 1.00 0.00 N ATOM 923 CA ASP A 57 -11.613 -1.703 -3.806 1.00 0.00 C ATOM 924 C ASP A 57 -11.182 -2.768 -2.808 1.00 0.00 C ATOM 925 O ASP A 57 -11.676 -2.778 -1.689 1.00 0.00 O ATOM 926 CB ASP A 57 -12.946 -2.045 -4.451 1.00 0.00 C ATOM 927 CG ASP A 57 -14.049 -1.285 -3.711 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.214 -0.075 -3.986 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.693 -1.846 -2.796 1.00 0.00 O ATOM 0 H ASP A 57 -10.779 -1.866 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.747 -0.777 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.938 -1.771 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.127 -3.119 -4.402 1.00 0.00 H new ATOM 934 N TRP A 58 -10.203 -3.609 -3.155 1.00 0.00 N ATOM 935 CA TRP A 58 -9.553 -4.448 -2.157 1.00 0.00 C ATOM 936 C TRP A 58 -8.702 -3.562 -1.262 1.00 0.00 C ATOM 937 O TRP A 58 -8.759 -3.679 -0.049 1.00 0.00 O ATOM 938 CB TRP A 58 -8.683 -5.538 -2.774 1.00 0.00 C ATOM 939 CG TRP A 58 -8.092 -6.475 -1.767 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.666 -7.621 -1.363 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.852 -6.374 -1.006 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.874 -8.257 -0.433 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.725 -7.539 -0.193 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.825 -5.414 -0.914 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.621 -7.750 0.640 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.704 -5.618 -0.089 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.614 -6.779 0.695 1.00 0.00 C ATOM 0 H TRP A 58 -9.851 -3.723 -4.105 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.332 -4.954 -1.587 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.281 -6.110 -3.483 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.877 -5.071 -3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.616 -7.992 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.108 -9.142 0.018 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.900 -4.503 -1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.547 -8.650 1.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.914 -4.882 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.763 -6.924 1.344 1.00 0.00 H new ATOM 958 N LEU A 59 -7.920 -2.650 -1.828 1.00 0.00 N ATOM 959 CA LEU A 59 -7.148 -1.708 -1.047 1.00 0.00 C ATOM 960 C LEU A 59 -8.024 -0.908 -0.083 1.00 0.00 C ATOM 961 O LEU A 59 -7.668 -0.759 1.087 1.00 0.00 O ATOM 962 CB LEU A 59 -6.310 -0.854 -1.989 1.00 0.00 C ATOM 963 CG LEU A 59 -4.832 -1.271 -2.079 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.060 -0.078 -2.622 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.128 -1.655 -0.766 1.00 0.00 C ATOM 0 H LEU A 59 -7.808 -2.548 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.459 -2.244 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.748 -0.897 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.363 0.185 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.837 -2.169 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.003 -0.334 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.444 0.186 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.178 0.770 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.093 -1.927 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.150 -0.808 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.642 -2.502 -0.312 1.00 0.00 H new ATOM 977 N LEU A 60 -9.175 -0.433 -0.549 1.00 0.00 N ATOM 978 CA LEU A 60 -10.146 0.303 0.243 1.00 0.00 C ATOM 979 C LEU A 60 -10.801 -0.603 1.278 1.00 0.00 C ATOM 980 O LEU A 60 -10.723 -0.312 2.465 1.00 0.00 O ATOM 981 CB LEU A 60 -11.208 0.920 -0.676 1.00 0.00 C ATOM 982 CG LEU A 60 -10.664 2.121 -1.474 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.545 2.381 -2.693 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.608 3.393 -0.618 1.00 0.00 C ATOM 0 H LEU A 60 -9.464 -0.555 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.627 1.101 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.571 0.161 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.061 1.240 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.651 1.871 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.153 3.231 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.550 1.499 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.562 2.599 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.219 4.217 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.610 3.640 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.955 3.227 0.239 1.00 0.00 H new ATOM 996 N ASN A 61 -11.467 -1.672 0.840 1.00 0.00 N ATOM 997 CA ASN A 61 -12.404 -2.446 1.655 1.00 0.00 C ATOM 998 C ASN A 61 -11.865 -3.788 2.139 1.00 0.00 C ATOM 999 O ASN A 61 -12.429 -4.346 3.078 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.715 -2.693 0.890 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.636 -1.495 0.974 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.075 -1.150 2.064 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.951 -0.851 -0.136 1.00 0.00 N ATOM 0 H ASN A 61 -11.368 -2.031 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.574 -1.832 2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.493 -2.911 -0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.217 -3.570 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.574 -0.045 -0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.571 -1.160 -1.030 1.00 0.00 H new ATOM 1010 N GLY A 62 -10.808 -4.329 1.540 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.121 -5.535 1.988 1.00 0.00 C ATOM 1012 C GLY A 62 -10.707 -6.830 1.449 1.00 0.00 C ATOM 1013 O GLY A 62 -10.358 -7.894 1.962 1.00 0.00 O ATOM 0 H GLY A 62 -10.392 -3.925 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.074 -5.473 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.142 -5.567 3.077 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.607 -6.771 0.469 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.102 -7.939 -0.251 1.00 0.00 C ATOM 1019 C ALA A 63 -12.653 -7.500 -1.604 1.00 0.00 C ATOM 1020 O ALA A 63 -12.007 -6.713 -2.304 1.00 0.00 O ATOM 1021 CB ALA A 63 -13.164 -8.670 0.571 1.00 0.00 C ATOM 0 H ALA A 63 -12.019 -5.894 0.149 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.282 -8.638 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.520 -9.538 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.731 -8.997 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.999 -7.997 0.767 1.00 0.00 H new