USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 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 Single : A 2 MET CE :methyl -169:sc= -0.651 (180deg=-0.781) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 2.2 K(o=2.2,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.06) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.02 (180deg=1) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.37) USER MOD Single : A 36 ASN : amide:sc= -1.5 K(o=-1.5,f=-8.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.531 -1.094 6.503 1.00 0.00 N ATOM 38 CA MET A 2 -5.736 -0.720 5.331 1.00 0.00 C ATOM 39 C MET A 2 -4.267 -0.982 5.606 1.00 0.00 C ATOM 40 O MET A 2 -3.600 -1.628 4.807 1.00 0.00 O ATOM 41 CB MET A 2 -5.932 0.748 4.946 1.00 0.00 C ATOM 42 CG MET A 2 -6.981 0.875 3.848 1.00 0.00 C ATOM 43 SD MET A 2 -7.774 2.505 3.741 1.00 0.00 S ATOM 44 CE MET A 2 -6.340 3.619 3.779 1.00 0.00 C ATOM 0 HA MET A 2 -6.077 -1.329 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.240 1.322 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.987 1.170 4.605 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.513 0.650 2.890 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.751 0.121 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.680 4.645 3.917 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.684 3.340 4.604 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.794 3.541 2.839 1.00 0.00 H new ATOM 54 N GLY A 3 -3.766 -0.432 6.710 1.00 0.00 N ATOM 55 CA GLY A 3 -2.396 -0.614 7.139 1.00 0.00 C ATOM 56 C GLY A 3 -1.983 -2.079 7.118 1.00 0.00 C ATOM 57 O GLY A 3 -1.026 -2.439 6.433 1.00 0.00 O ATOM 0 H GLY A 3 -4.314 0.159 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.734 -0.041 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.276 -0.218 8.147 1.00 0.00 H new ATOM 61 N GLU A 4 -2.744 -2.929 7.811 1.00 0.00 N ATOM 62 CA GLU A 4 -2.496 -4.364 7.830 1.00 0.00 C ATOM 63 C GLU A 4 -2.664 -4.967 6.435 1.00 0.00 C ATOM 64 O GLU A 4 -1.883 -5.831 6.076 1.00 0.00 O ATOM 65 CB GLU A 4 -3.407 -5.087 8.842 1.00 0.00 C ATOM 66 CG GLU A 4 -2.620 -5.896 9.885 1.00 0.00 C ATOM 67 CD GLU A 4 -1.653 -6.927 9.286 1.00 0.00 C ATOM 68 OE1 GLU A 4 -0.470 -6.570 9.083 1.00 0.00 O ATOM 69 OE2 GLU A 4 -2.038 -8.105 9.108 1.00 0.00 O ATOM 0 H GLU A 4 -3.545 -2.639 8.371 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.464 -4.509 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.028 -4.352 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.080 -5.755 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.055 -5.206 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.326 -6.412 10.536 1.00 0.00 H new ATOM 76 N ARG A 5 -3.622 -4.520 5.610 1.00 0.00 N ATOM 77 CA ARG A 5 -3.782 -5.028 4.242 1.00 0.00 C ATOM 78 C ARG A 5 -2.477 -4.829 3.482 1.00 0.00 C ATOM 79 O ARG A 5 -1.974 -5.739 2.828 1.00 0.00 O ATOM 80 CB ARG A 5 -4.917 -4.278 3.509 1.00 0.00 C ATOM 81 CG ARG A 5 -6.171 -5.134 3.448 1.00 0.00 C ATOM 82 CD ARG A 5 -7.282 -4.573 2.563 1.00 0.00 C ATOM 83 NE ARG A 5 -7.884 -3.319 3.050 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.652 -3.134 4.127 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.834 -4.096 5.020 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.252 -1.970 4.302 1.00 0.00 N ATOM 0 H ARG A 5 -4.300 -3.804 5.869 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.037 -6.087 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.134 -3.342 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.597 -4.020 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.901 -6.125 3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.559 -5.260 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.881 -4.403 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.066 -5.324 2.468 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.689 -2.486 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.383 -5.002 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.425 -3.931 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.126 -1.224 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.841 -1.818 5.121 1.00 0.00 H new ATOM 100 N ILE A 6 -1.950 -3.612 3.534 1.00 0.00 N ATOM 101 CA ILE A 6 -0.773 -3.183 2.803 1.00 0.00 C ATOM 102 C ILE A 6 0.440 -3.936 3.331 1.00 0.00 C ATOM 103 O ILE A 6 1.215 -4.459 2.526 1.00 0.00 O ATOM 104 CB ILE A 6 -0.675 -1.649 2.923 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.824 -1.054 2.075 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.690 -1.084 2.484 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.153 0.388 2.435 1.00 0.00 C ATOM 0 H ILE A 6 -2.349 -2.871 4.110 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.829 -3.417 1.740 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.766 -1.368 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.552 -1.105 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.716 -1.666 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.688 0.000 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.477 -1.511 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.872 -1.342 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.967 0.744 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.455 0.442 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.273 1.012 2.279 1.00 0.00 H new ATOM 119 N ARG A 7 0.614 -4.002 4.654 1.00 0.00 N ATOM 120 CA ARG A 7 1.698 -4.777 5.244 1.00 0.00 C ATOM 121 C ARG A 7 1.577 -6.238 4.835 1.00 0.00 C ATOM 122 O ARG A 7 2.535 -6.776 4.290 1.00 0.00 O ATOM 123 CB ARG A 7 1.688 -4.620 6.772 1.00 0.00 C ATOM 124 CG ARG A 7 2.994 -5.125 7.403 1.00 0.00 C ATOM 125 CD ARG A 7 2.871 -5.186 8.926 1.00 0.00 C ATOM 126 NE ARG A 7 4.074 -5.764 9.543 1.00 0.00 N ATOM 127 CZ ARG A 7 5.061 -5.104 10.159 1.00 0.00 C ATOM 128 NH1 ARG A 7 5.125 -3.776 10.116 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.981 -5.797 10.821 1.00 0.00 N ATOM 0 H ARG A 7 0.017 -3.528 5.332 1.00 0.00 H new ATOM 0 HA ARG A 7 2.653 -4.402 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.541 -3.571 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.845 -5.171 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.233 -6.114 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.816 -4.465 7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.706 -4.183 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.000 -5.782 9.198 1.00 0.00 H new ATOM 0 HE ARG A 7 4.166 -6.779 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.415 -3.247 9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.884 -3.286 10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.927 -6.815 10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.741 -5.311 11.297 1.00 0.00 H new ATOM 143 N ALA A 8 0.387 -6.824 4.933 1.00 0.00 N ATOM 144 CA ALA A 8 0.149 -8.230 4.682 1.00 0.00 C ATOM 145 C ALA A 8 0.526 -8.544 3.249 1.00 0.00 C ATOM 146 O ALA A 8 1.327 -9.446 3.029 1.00 0.00 O ATOM 147 CB ALA A 8 -1.304 -8.625 4.977 1.00 0.00 C ATOM 0 H ALA A 8 -0.457 -6.315 5.197 1.00 0.00 H new ATOM 0 HA ALA A 8 0.770 -8.819 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.440 -9.688 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.531 -8.422 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.975 -8.047 4.341 1.00 0.00 H new ATOM 153 N ARG A 9 0.003 -7.796 2.276 1.00 0.00 N ATOM 154 CA ARG A 9 0.250 -8.054 0.862 1.00 0.00 C ATOM 155 C ARG A 9 1.720 -7.820 0.504 1.00 0.00 C ATOM 156 O ARG A 9 2.262 -8.545 -0.333 1.00 0.00 O ATOM 157 CB ARG A 9 -0.680 -7.167 0.021 1.00 0.00 C ATOM 158 CG ARG A 9 -1.354 -7.846 -1.178 1.00 0.00 C ATOM 159 CD ARG A 9 -0.391 -8.562 -2.115 1.00 0.00 C ATOM 160 NE ARG A 9 -1.082 -8.870 -3.370 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.113 -10.070 -3.975 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.407 -11.080 -3.485 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.851 -10.282 -5.055 1.00 0.00 N ATOM 0 H ARG A 9 -0.604 -6.995 2.449 1.00 0.00 H new ATOM 0 HA ARG A 9 0.036 -9.101 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.458 -6.770 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.105 -6.316 -0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.086 -8.565 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.903 -7.094 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.480 -7.936 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.027 -9.479 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.583 -8.107 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.160 -10.947 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.432 -11.990 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.413 -9.525 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.857 -11.202 -5.496 1.00 0.00 H new ATOM 177 N ARG A 10 2.379 -6.816 1.095 1.00 0.00 N ATOM 178 CA ARG A 10 3.810 -6.580 0.894 1.00 0.00 C ATOM 179 C ARG A 10 4.615 -7.778 1.377 1.00 0.00 C ATOM 180 O ARG A 10 5.413 -8.339 0.631 1.00 0.00 O ATOM 181 CB ARG A 10 4.238 -5.326 1.663 1.00 0.00 C ATOM 182 CG ARG A 10 5.703 -4.953 1.381 1.00 0.00 C ATOM 183 CD ARG A 10 5.927 -3.446 1.531 1.00 0.00 C ATOM 184 NE ARG A 10 5.203 -2.875 2.656 1.00 0.00 N ATOM 185 CZ ARG A 10 5.420 -3.145 3.936 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.484 -3.817 4.353 1.00 0.00 N ATOM 187 NH2 ARG A 10 4.517 -2.718 4.787 1.00 0.00 N ATOM 0 H ARG A 10 1.935 -6.147 1.724 1.00 0.00 H new ATOM 0 HA ARG A 10 3.998 -6.436 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.592 -4.493 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.105 -5.493 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.357 -5.491 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.973 -5.265 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.993 -3.253 1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.617 -2.945 0.614 1.00 0.00 H new ATOM 0 HE ARG A 10 4.462 -2.207 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.174 -4.148 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.612 -4.003 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.701 -2.207 4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.632 -2.897 5.785 1.00 0.00 H new ATOM 201 N ILE A 11 4.404 -8.146 2.631 1.00 0.00 N ATOM 202 CA ILE A 11 5.036 -9.247 3.340 1.00 0.00 C ATOM 203 C ILE A 11 4.736 -10.585 2.643 1.00 0.00 C ATOM 204 O ILE A 11 5.597 -11.460 2.597 1.00 0.00 O ATOM 205 CB ILE A 11 4.594 -9.144 4.818 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.203 -7.902 5.527 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.906 -10.389 5.637 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.736 -7.841 5.591 1.00 0.00 C ATOM 0 H ILE A 11 3.739 -7.647 3.222 1.00 0.00 H new ATOM 0 HA ILE A 11 6.124 -9.192 3.322 1.00 0.00 H new ATOM 0 HB ILE A 11 3.510 -9.039 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.846 -7.007 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.816 -7.865 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.568 -10.244 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.393 -11.248 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.981 -10.568 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.043 -6.931 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.112 -8.710 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.143 -7.839 4.580 1.00 0.00 H new ATOM 220 N GLN A 12 3.554 -10.736 2.042 1.00 0.00 N ATOM 221 CA GLN A 12 3.191 -11.875 1.200 1.00 0.00 C ATOM 222 C GLN A 12 4.115 -12.015 -0.010 1.00 0.00 C ATOM 223 O GLN A 12 4.419 -13.128 -0.437 1.00 0.00 O ATOM 224 CB GLN A 12 1.734 -11.739 0.730 1.00 0.00 C ATOM 225 CG GLN A 12 1.075 -13.071 0.355 1.00 0.00 C ATOM 226 CD GLN A 12 -0.040 -12.865 -0.667 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.041 -13.486 -1.722 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.967 -11.939 -0.463 1.00 0.00 N ATOM 0 H GLN A 12 2.804 -10.051 2.131 1.00 0.00 H new ATOM 0 HA GLN A 12 3.302 -12.775 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.151 -11.266 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.701 -11.073 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.825 -13.749 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.670 -13.544 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.979 -11.413 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.668 -11.752 -1.180 1.00 0.00 H new ATOM 237 N LEU A 13 4.569 -10.902 -0.582 1.00 0.00 N ATOM 238 CA LEU A 13 5.597 -10.890 -1.624 1.00 0.00 C ATOM 239 C LEU A 13 7.005 -10.935 -1.006 1.00 0.00 C ATOM 240 O LEU A 13 7.974 -11.215 -1.704 1.00 0.00 O ATOM 241 CB LEU A 13 5.374 -9.654 -2.516 1.00 0.00 C ATOM 242 CG LEU A 13 6.300 -9.540 -3.743 1.00 0.00 C ATOM 243 CD1 LEU A 13 6.216 -10.754 -4.673 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.912 -8.286 -4.538 1.00 0.00 C ATOM 0 H LEU A 13 4.231 -9.972 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 13 5.518 -11.781 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.341 -9.661 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.499 -8.760 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 13 7.323 -9.484 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.891 -10.613 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.502 -11.652 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.195 -10.862 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.560 -8.193 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.875 -8.368 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.025 -7.405 -3.906 1.00 0.00 H new ATOM 256 N GLY A 14 7.126 -10.713 0.303 1.00 0.00 N ATOM 257 CA GLY A 14 8.383 -10.633 1.031 1.00 0.00 C ATOM 258 C GLY A 14 9.189 -9.394 0.654 1.00 0.00 C ATOM 259 O GLY A 14 10.419 -9.432 0.729 1.00 0.00 O ATOM 0 H GLY A 14 6.314 -10.579 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.181 -10.621 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.976 -11.525 0.829 1.00 0.00 H new ATOM 263 N LEU A 15 8.541 -8.302 0.228 1.00 0.00 N ATOM 264 CA LEU A 15 9.265 -7.108 -0.213 1.00 0.00 C ATOM 265 C LEU A 15 9.455 -6.193 1.011 1.00 0.00 C ATOM 266 O LEU A 15 8.707 -6.291 1.986 1.00 0.00 O ATOM 267 CB LEU A 15 8.416 -6.381 -1.278 1.00 0.00 C ATOM 268 CG LEU A 15 8.853 -6.568 -2.747 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.208 -5.478 -3.618 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.360 -6.676 -3.011 1.00 0.00 C ATOM 0 H LEU A 15 7.525 -8.223 0.180 1.00 0.00 H new ATOM 0 HA LEU A 15 10.233 -7.370 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.384 -6.720 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.424 -5.315 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 15 8.489 -7.557 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.517 -5.611 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.123 -5.553 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.526 -4.496 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.534 -6.805 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.855 -5.767 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.763 -7.533 -2.472 1.00 0.00 H new ATOM 282 N ASN A 16 10.366 -5.219 0.927 1.00 0.00 N ATOM 283 CA ASN A 16 10.511 -4.167 1.948 1.00 0.00 C ATOM 284 C ASN A 16 9.547 -3.025 1.635 1.00 0.00 C ATOM 285 O ASN A 16 9.075 -2.927 0.496 1.00 0.00 O ATOM 286 CB ASN A 16 11.933 -3.576 2.008 1.00 0.00 C ATOM 287 CG ASN A 16 13.032 -4.597 2.246 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.991 -5.340 3.222 1.00 0.00 O ATOM 289 ND2 ASN A 16 14.047 -4.639 1.403 1.00 0.00 N ATOM 0 H ASN A 16 11.024 -5.134 0.153 1.00 0.00 H new ATOM 0 HA ASN A 16 10.295 -4.634 2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.136 -3.055 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.969 -2.831 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.812 -5.296 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.066 -4.015 0.596 1.00 0.00 H new ATOM 296 N GLN A 17 9.301 -2.112 2.589 1.00 0.00 N ATOM 297 CA GLN A 17 8.591 -0.863 2.315 1.00 0.00 C ATOM 298 C GLN A 17 9.186 -0.138 1.109 1.00 0.00 C ATOM 299 O GLN A 17 8.436 0.216 0.205 1.00 0.00 O ATOM 300 CB GLN A 17 8.635 0.071 3.534 1.00 0.00 C ATOM 301 CG GLN A 17 7.843 -0.433 4.740 1.00 0.00 C ATOM 302 CD GLN A 17 7.885 0.559 5.903 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.542 1.595 5.874 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.162 0.245 6.956 1.00 0.00 N ATOM 0 H GLN A 17 9.588 -2.222 3.562 1.00 0.00 H new ATOM 0 HA GLN A 17 7.556 -1.125 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.674 0.214 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.249 1.048 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.807 -0.607 4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.247 -1.392 5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.622 -0.620 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.142 0.867 7.765 1.00 0.00 H new ATOM 313 N ALA A 18 10.506 0.064 1.079 1.00 0.00 N ATOM 314 CA ALA A 18 11.194 0.832 0.054 1.00 0.00 C ATOM 315 C ALA A 18 10.993 0.205 -1.318 1.00 0.00 C ATOM 316 O ALA A 18 10.879 0.922 -2.300 1.00 0.00 O ATOM 317 CB ALA A 18 12.688 0.927 0.383 1.00 0.00 C ATOM 0 H ALA A 18 11.136 -0.314 1.787 1.00 0.00 H new ATOM 0 HA ALA A 18 10.771 1.837 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.195 1.504 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.818 1.419 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.115 -0.075 0.427 1.00 0.00 H new ATOM 323 N GLU A 19 10.914 -1.121 -1.393 1.00 0.00 N ATOM 324 CA GLU A 19 10.755 -1.826 -2.656 1.00 0.00 C ATOM 325 C GLU A 19 9.343 -1.605 -3.193 1.00 0.00 C ATOM 326 O GLU A 19 9.157 -1.233 -4.353 1.00 0.00 O ATOM 327 CB GLU A 19 10.992 -3.314 -2.418 1.00 0.00 C ATOM 328 CG GLU A 19 12.331 -3.635 -1.738 1.00 0.00 C ATOM 329 CD GLU A 19 13.479 -3.997 -2.677 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.258 -4.443 -3.819 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.640 -3.880 -2.216 1.00 0.00 O ATOM 0 H GLU A 19 10.959 -1.734 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 19 11.472 -1.450 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.182 -3.706 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.948 -3.835 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.631 -2.773 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.177 -4.463 -1.046 1.00 0.00 H new ATOM 338 N LEU A 20 8.330 -1.798 -2.333 1.00 0.00 N ATOM 339 CA LEU A 20 6.948 -1.483 -2.682 1.00 0.00 C ATOM 340 C LEU A 20 6.853 -0.023 -3.094 1.00 0.00 C ATOM 341 O LEU A 20 6.120 0.298 -4.020 1.00 0.00 O ATOM 342 CB LEU A 20 5.998 -1.777 -1.515 1.00 0.00 C ATOM 343 CG LEU A 20 4.513 -1.419 -1.780 1.00 0.00 C ATOM 344 CD1 LEU A 20 3.932 -2.164 -2.983 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.630 -1.757 -0.573 1.00 0.00 C ATOM 0 H LEU A 20 8.449 -2.171 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 20 6.645 -2.116 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.063 -2.837 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.339 -1.225 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 20 4.511 -0.347 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.890 -1.875 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.501 -1.911 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.990 -3.238 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.596 -1.493 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.695 -2.824 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.971 -1.194 0.296 1.00 0.00 H new ATOM 357 N ALA A 21 7.590 0.848 -2.415 1.00 0.00 N ATOM 358 CA ALA A 21 7.601 2.253 -2.711 1.00 0.00 C ATOM 359 C ALA A 21 8.181 2.517 -4.096 1.00 0.00 C ATOM 360 O ALA A 21 7.475 3.028 -4.959 1.00 0.00 O ATOM 361 CB ALA A 21 8.332 3.001 -1.596 1.00 0.00 C ATOM 0 H ALA A 21 8.198 0.585 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 21 6.580 2.632 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.341 4.068 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.820 2.833 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.357 2.636 -1.524 1.00 0.00 H new ATOM 367 N GLN A 22 9.434 2.151 -4.343 1.00 0.00 N ATOM 368 CA GLN A 22 10.167 2.518 -5.545 1.00 0.00 C ATOM 369 C GLN A 22 9.591 1.843 -6.782 1.00 0.00 C ATOM 370 O GLN A 22 9.525 2.500 -7.824 1.00 0.00 O ATOM 371 CB GLN A 22 11.674 2.238 -5.377 1.00 0.00 C ATOM 372 CG GLN A 22 12.478 3.486 -4.973 1.00 0.00 C ATOM 373 CD GLN A 22 11.872 4.235 -3.785 1.00 0.00 C ATOM 374 OE1 GLN A 22 12.049 3.868 -2.622 1.00 0.00 O ATOM 375 NE2 GLN A 22 11.142 5.304 -4.056 1.00 0.00 N ATOM 0 H GLN A 22 9.978 1.578 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 22 10.051 3.591 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.812 1.464 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.071 1.845 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.497 3.189 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.541 4.161 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.004 5.596 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.717 5.837 -3.297 1.00 0.00 H new ATOM 384 N LYS A 23 9.086 0.603 -6.708 1.00 0.00 N ATOM 385 CA LYS A 23 8.454 -0.014 -7.864 1.00 0.00 C ATOM 386 C LYS A 23 7.084 0.598 -8.174 1.00 0.00 C ATOM 387 O LYS A 23 6.577 0.396 -9.281 1.00 0.00 O ATOM 388 CB LYS A 23 8.543 -1.544 -7.747 1.00 0.00 C ATOM 389 CG LYS A 23 7.258 -2.376 -7.630 1.00 0.00 C ATOM 390 CD LYS A 23 6.805 -2.499 -6.173 1.00 0.00 C ATOM 391 CE LYS A 23 5.428 -3.160 -6.065 1.00 0.00 C ATOM 392 NZ LYS A 23 5.392 -4.517 -6.660 1.00 0.00 N ATOM 0 H LYS A 23 9.106 0.022 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 23 9.002 0.221 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.086 -1.906 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.156 -1.768 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.468 -1.913 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.426 -3.369 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.535 -3.083 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.771 -1.510 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.141 -3.221 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.689 -2.531 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.428 -4.902 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.671 -4.465 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.051 -5.138 -6.149 1.00 0.00 H new ATOM 406 N VAL A 24 6.504 1.379 -7.257 1.00 0.00 N ATOM 407 CA VAL A 24 5.337 2.220 -7.519 1.00 0.00 C ATOM 408 C VAL A 24 5.792 3.659 -7.826 1.00 0.00 C ATOM 409 O VAL A 24 5.050 4.417 -8.444 1.00 0.00 O ATOM 410 CB VAL A 24 4.385 2.138 -6.307 1.00 0.00 C ATOM 411 CG1 VAL A 24 3.063 2.877 -6.525 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.963 0.688 -6.019 1.00 0.00 C ATOM 0 H VAL A 24 6.840 1.444 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 24 4.791 1.870 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 24 4.958 2.585 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.441 2.780 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.263 3.932 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.542 2.447 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.293 0.668 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.449 0.279 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.847 0.088 -5.804 1.00 0.00 H new ATOM 422 N GLY A 25 7.010 4.043 -7.441 1.00 0.00 N ATOM 423 CA GLY A 25 7.586 5.365 -7.618 1.00 0.00 C ATOM 424 C GLY A 25 7.326 6.315 -6.452 1.00 0.00 C ATOM 425 O GLY A 25 7.495 7.521 -6.626 1.00 0.00 O ATOM 0 H GLY A 25 7.650 3.402 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.662 5.266 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.184 5.806 -8.530 1.00 0.00 H new ATOM 429 N VAL A 26 6.844 5.832 -5.310 1.00 0.00 N ATOM 430 CA VAL A 26 6.467 6.622 -4.148 1.00 0.00 C ATOM 431 C VAL A 26 7.592 6.581 -3.106 1.00 0.00 C ATOM 432 O VAL A 26 8.566 5.848 -3.275 1.00 0.00 O ATOM 433 CB VAL A 26 5.107 6.113 -3.624 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.050 6.123 -4.740 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.094 4.720 -2.997 1.00 0.00 C ATOM 0 H VAL A 26 6.700 4.833 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 26 6.337 7.673 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 26 4.881 6.817 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.101 5.760 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.923 7.140 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.375 5.476 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.083 4.478 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.422 3.986 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.768 4.700 -2.141 1.00 0.00 H new ATOM 445 N ASP A 27 7.488 7.359 -2.029 1.00 0.00 N ATOM 446 CA ASP A 27 8.457 7.363 -0.947 1.00 0.00 C ATOM 447 C ASP A 27 8.241 6.109 -0.096 1.00 0.00 C ATOM 448 O ASP A 27 7.115 5.620 0.027 1.00 0.00 O ATOM 449 CB ASP A 27 8.284 8.604 -0.045 1.00 0.00 C ATOM 450 CG ASP A 27 6.971 9.381 -0.144 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.700 10.013 -1.193 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.218 9.414 0.849 1.00 0.00 O ATOM 0 H ASP A 27 6.716 8.011 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 27 9.458 7.383 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.407 8.285 0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.099 9.294 -0.265 1.00 0.00 H new ATOM 457 N GLN A 28 9.286 5.631 0.587 1.00 0.00 N ATOM 458 CA GLN A 28 9.141 4.598 1.614 1.00 0.00 C ATOM 459 C GLN A 28 8.208 5.113 2.712 1.00 0.00 C ATOM 460 O GLN A 28 7.348 4.379 3.199 1.00 0.00 O ATOM 461 CB GLN A 28 10.512 4.248 2.197 1.00 0.00 C ATOM 462 CG GLN A 28 10.423 3.080 3.189 1.00 0.00 C ATOM 463 CD GLN A 28 11.653 3.045 4.068 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.562 2.252 3.851 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.702 3.934 5.040 1.00 0.00 N ATOM 0 H GLN A 28 10.246 5.946 0.445 1.00 0.00 H new ATOM 0 HA GLN A 28 8.714 3.697 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.196 3.988 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.928 5.121 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.530 3.184 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.328 2.139 2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.922 4.575 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.520 3.981 5.648 1.00 0.00 H new ATOM 474 N GLN A 29 8.349 6.395 3.062 1.00 0.00 N ATOM 475 CA GLN A 29 7.466 7.101 3.969 1.00 0.00 C ATOM 476 C GLN A 29 5.993 6.885 3.602 1.00 0.00 C ATOM 477 O GLN A 29 5.154 6.749 4.493 1.00 0.00 O ATOM 478 CB GLN A 29 7.834 8.591 4.052 1.00 0.00 C ATOM 479 CG GLN A 29 7.141 9.278 5.236 1.00 0.00 C ATOM 480 CD GLN A 29 7.721 10.660 5.515 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.537 10.817 6.417 1.00 0.00 O ATOM 482 NE2 GLN A 29 7.325 11.682 4.775 1.00 0.00 N ATOM 0 H GLN A 29 9.106 6.979 2.707 1.00 0.00 H new ATOM 0 HA GLN A 29 7.604 6.681 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.914 8.695 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.550 9.089 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.075 9.368 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.242 8.656 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.646 11.538 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.699 12.614 4.951 1.00 0.00 H new ATOM 491 N ALA A 30 5.640 6.939 2.315 1.00 0.00 N ATOM 492 CA ALA A 30 4.283 6.691 1.846 1.00 0.00 C ATOM 493 C ALA A 30 3.773 5.314 2.264 1.00 0.00 C ATOM 494 O ALA A 30 2.593 5.183 2.578 1.00 0.00 O ATOM 495 CB ALA A 30 4.178 6.828 0.325 1.00 0.00 C ATOM 0 H ALA A 30 6.297 7.158 1.566 1.00 0.00 H new ATOM 0 HA ALA A 30 3.658 7.450 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.152 6.636 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.464 7.837 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.843 6.108 -0.152 1.00 0.00 H new ATOM 501 N ILE A 31 4.627 4.290 2.266 1.00 0.00 N ATOM 502 CA ILE A 31 4.243 2.942 2.653 1.00 0.00 C ATOM 503 C ILE A 31 4.103 2.868 4.180 1.00 0.00 C ATOM 504 O ILE A 31 3.162 2.253 4.674 1.00 0.00 O ATOM 505 CB ILE A 31 5.266 1.932 2.084 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.478 2.067 0.562 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.830 0.495 2.417 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.223 2.219 -0.300 1.00 0.00 C ATOM 0 H ILE A 31 5.607 4.378 1.997 1.00 0.00 H new ATOM 0 HA ILE A 31 3.272 2.679 2.233 1.00 0.00 H new ATOM 0 HB ILE A 31 6.220 2.161 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.119 2.931 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.023 1.189 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.557 -0.209 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.771 0.374 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.852 0.300 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.510 2.304 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.583 1.346 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.681 3.115 0.002 1.00 0.00 H new ATOM 520 N GLU A 32 4.998 3.513 4.927 1.00 0.00 N ATOM 521 CA GLU A 32 5.006 3.555 6.392 1.00 0.00 C ATOM 522 C GLU A 32 3.769 4.260 6.925 1.00 0.00 C ATOM 523 O GLU A 32 3.090 3.759 7.820 1.00 0.00 O ATOM 524 CB GLU A 32 6.277 4.305 6.810 1.00 0.00 C ATOM 525 CG GLU A 32 6.444 4.556 8.315 1.00 0.00 C ATOM 526 CD GLU A 32 7.104 3.401 9.065 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.701 2.228 8.894 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.948 3.692 9.945 1.00 0.00 O ATOM 0 H GLU A 32 5.767 4.041 4.515 1.00 0.00 H new ATOM 0 HA GLU A 32 4.996 2.546 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.141 3.741 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.293 5.267 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.039 5.458 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.464 4.748 8.752 1.00 0.00 H new ATOM 535 N GLN A 33 3.464 5.438 6.388 1.00 0.00 N ATOM 536 CA GLN A 33 2.283 6.145 6.831 1.00 0.00 C ATOM 537 C GLN A 33 1.042 5.336 6.470 1.00 0.00 C ATOM 538 O GLN A 33 0.088 5.325 7.235 1.00 0.00 O ATOM 539 CB GLN A 33 2.274 7.573 6.286 1.00 0.00 C ATOM 540 CG GLN A 33 1.895 7.642 4.811 1.00 0.00 C ATOM 541 CD GLN A 33 2.157 9.031 4.258 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.245 9.843 4.108 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.414 9.330 3.999 1.00 0.00 N ATOM 0 H GLN A 33 4.007 5.908 5.664 1.00 0.00 H new ATOM 0 HA GLN A 33 2.287 6.248 7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.572 8.173 6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.261 8.015 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.468 6.906 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.842 7.388 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.143 8.630 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.658 10.261 3.662 1.00 0.00 H new ATOM 552 N LEU A 34 1.038 4.635 5.332 1.00 0.00 N ATOM 553 CA LEU A 34 -0.102 3.843 4.923 1.00 0.00 C ATOM 554 C LEU A 34 -0.262 2.680 5.908 1.00 0.00 C ATOM 555 O LEU A 34 -1.392 2.355 6.263 1.00 0.00 O ATOM 556 CB LEU A 34 0.139 3.300 3.510 1.00 0.00 C ATOM 557 CG LEU A 34 -0.664 4.088 2.466 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.204 3.710 1.053 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.190 3.948 2.538 1.00 0.00 C ATOM 0 H LEU A 34 1.823 4.607 4.681 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.006 4.452 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.201 3.356 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.142 2.248 3.470 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.454 5.131 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.780 4.275 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.855 3.943 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.359 2.643 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.648 4.549 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.466 2.902 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.542 4.293 3.510 1.00 0.00 H new ATOM 571 N GLU A 35 0.850 2.084 6.364 1.00 0.00 N ATOM 572 CA GLU A 35 0.870 1.021 7.370 1.00 0.00 C ATOM 573 C GLU A 35 0.204 1.487 8.665 1.00 0.00 C ATOM 574 O GLU A 35 -0.536 0.712 9.272 1.00 0.00 O ATOM 575 CB GLU A 35 2.289 0.524 7.704 1.00 0.00 C ATOM 576 CG GLU A 35 2.817 -0.618 6.827 1.00 0.00 C ATOM 577 CD GLU A 35 3.900 -1.414 7.575 1.00 0.00 C ATOM 578 OE1 GLU A 35 3.600 -2.018 8.626 1.00 0.00 O ATOM 579 OE2 GLU A 35 5.045 -1.506 7.081 1.00 0.00 O ATOM 0 H GLU A 35 1.781 2.337 6.033 1.00 0.00 H new ATOM 0 HA GLU A 35 0.317 0.192 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.977 1.366 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.304 0.196 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.997 -1.280 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.228 -0.214 5.902 1.00 0.00 H new ATOM 586 N ASN A 36 0.443 2.724 9.111 1.00 0.00 N ATOM 587 CA ASN A 36 -0.224 3.236 10.301 1.00 0.00 C ATOM 588 C ASN A 36 -1.607 3.842 10.005 1.00 0.00 C ATOM 589 O ASN A 36 -2.340 4.188 10.934 1.00 0.00 O ATOM 590 CB ASN A 36 0.727 4.162 11.062 1.00 0.00 C ATOM 591 CG ASN A 36 0.778 5.600 10.578 1.00 0.00 C ATOM 592 OD1 ASN A 36 -0.239 6.256 10.427 1.00 0.00 O ATOM 593 ND2 ASN A 36 1.969 6.128 10.357 1.00 0.00 N ATOM 0 H ASN A 36 1.087 3.379 8.668 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.457 2.400 10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.439 4.162 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.732 3.744 11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.048 7.099 10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.809 5.565 10.488 1.00 0.00 H new ATOM 600 N GLY A 37 -2.000 3.942 8.730 1.00 0.00 N ATOM 601 CA GLY A 37 -3.293 4.439 8.273 1.00 0.00 C ATOM 602 C GLY A 37 -3.302 5.931 7.920 1.00 0.00 C ATOM 603 O GLY A 37 -4.350 6.450 7.531 1.00 0.00 O ATOM 0 H GLY A 37 -1.394 3.665 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.601 3.868 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.035 4.256 9.050 1.00 0.00 H new ATOM 607 N LYS A 38 -2.166 6.630 8.008 1.00 0.00 N ATOM 608 CA LYS A 38 -2.079 8.084 7.907 1.00 0.00 C ATOM 609 C LYS A 38 -2.267 8.597 6.486 1.00 0.00 C ATOM 610 O LYS A 38 -2.355 9.817 6.341 1.00 0.00 O ATOM 611 CB LYS A 38 -0.706 8.553 8.433 1.00 0.00 C ATOM 612 CG LYS A 38 -0.743 9.218 9.819 1.00 0.00 C ATOM 613 CD LYS A 38 -1.301 10.648 9.841 1.00 0.00 C ATOM 614 CE LYS A 38 -0.476 11.614 8.978 1.00 0.00 C ATOM 615 NZ LYS A 38 -0.865 13.023 9.186 1.00 0.00 N ATOM 0 H LYS A 38 -1.260 6.185 8.155 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.891 8.492 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.035 7.695 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.279 9.257 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.344 8.600 10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.269 9.233 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.331 10.638 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.322 11.011 10.869 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.582 11.493 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.602 11.356 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.281 13.637 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.868 13.147 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.721 13.279 10.184 1.00 0.00 H new ATOM 629 N ALA A 39 -2.299 7.763 5.444 1.00 0.00 N ATOM 630 CA ALA A 39 -2.745 8.181 4.128 1.00 0.00 C ATOM 631 C ALA A 39 -4.091 7.511 3.871 1.00 0.00 C ATOM 632 O ALA A 39 -4.128 6.304 3.631 1.00 0.00 O ATOM 633 CB ALA A 39 -1.696 7.746 3.116 1.00 0.00 C ATOM 0 H ALA A 39 -2.016 6.784 5.496 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.867 9.261 4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.007 8.049 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.742 8.215 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.586 6.662 3.149 1.00 0.00 H new ATOM 639 N LYS A 40 -5.194 8.256 3.968 1.00 0.00 N ATOM 640 CA LYS A 40 -6.525 7.708 3.714 1.00 0.00 C ATOM 641 C LYS A 40 -6.626 7.283 2.250 1.00 0.00 C ATOM 642 O LYS A 40 -6.911 6.125 1.956 1.00 0.00 O ATOM 643 CB LYS A 40 -7.595 8.732 4.131 1.00 0.00 C ATOM 644 CG LYS A 40 -8.996 8.158 4.379 1.00 0.00 C ATOM 645 CD LYS A 40 -9.718 7.600 3.146 1.00 0.00 C ATOM 646 CE LYS A 40 -11.171 7.354 3.551 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.968 6.683 2.512 1.00 0.00 N ATOM 0 H LYS A 40 -5.190 9.244 4.222 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.700 6.816 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.260 9.232 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.666 9.494 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.916 7.363 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.616 8.940 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.663 8.304 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.249 6.675 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.189 6.749 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.638 8.308 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.941 6.548 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.981 7.268 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.546 5.758 2.294 1.00 0.00 H new ATOM 661 N ARG A 41 -6.452 8.211 1.306 1.00 0.00 N ATOM 662 CA ARG A 41 -6.638 7.935 -0.108 1.00 0.00 C ATOM 663 C ARG A 41 -5.574 8.731 -0.868 1.00 0.00 C ATOM 664 O ARG A 41 -5.859 9.828 -1.347 1.00 0.00 O ATOM 665 CB ARG A 41 -8.099 8.295 -0.408 1.00 0.00 C ATOM 666 CG ARG A 41 -8.551 8.411 -1.862 1.00 0.00 C ATOM 667 CD ARG A 41 -10.026 8.815 -1.798 1.00 0.00 C ATOM 668 NE ARG A 41 -10.732 8.454 -3.020 1.00 0.00 N ATOM 669 CZ ARG A 41 -11.036 9.223 -4.068 1.00 0.00 C ATOM 670 NH1 ARG A 41 -10.705 10.509 -4.113 1.00 0.00 N ATOM 671 NH2 ARG A 41 -11.676 8.654 -5.077 1.00 0.00 N ATOM 0 H ARG A 41 -6.178 9.173 1.507 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.496 6.899 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.728 7.546 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.309 9.247 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.963 9.156 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.425 7.465 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.501 8.329 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.103 9.890 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.035 7.482 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.205 10.934 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.951 11.071 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.918 7.664 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.927 9.205 -5.897 1.00 0.00 H new ATOM 685 N PRO A 42 -4.326 8.241 -0.916 1.00 0.00 N ATOM 686 CA PRO A 42 -3.234 8.987 -1.517 1.00 0.00 C ATOM 687 C PRO A 42 -3.336 8.985 -3.046 1.00 0.00 C ATOM 688 O PRO A 42 -3.931 8.086 -3.647 1.00 0.00 O ATOM 689 CB PRO A 42 -1.958 8.316 -1.010 1.00 0.00 C ATOM 690 CG PRO A 42 -2.384 6.879 -0.710 1.00 0.00 C ATOM 691 CD PRO A 42 -3.852 7.012 -0.305 1.00 0.00 C ATOM 0 HA PRO A 42 -3.252 10.041 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.166 8.349 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.574 8.812 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.266 6.236 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.786 6.443 0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.431 6.156 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.956 7.050 0.779 1.00 0.00 H new ATOM 699 N ARG A 43 -2.686 9.951 -3.702 1.00 0.00 N ATOM 700 CA ARG A 43 -2.763 10.138 -5.159 1.00 0.00 C ATOM 701 C ARG A 43 -2.321 8.904 -5.949 1.00 0.00 C ATOM 702 O ARG A 43 -2.849 8.634 -7.033 1.00 0.00 O ATOM 703 CB ARG A 43 -1.966 11.389 -5.591 1.00 0.00 C ATOM 704 CG ARG A 43 -0.517 11.428 -5.070 1.00 0.00 C ATOM 705 CD ARG A 43 0.257 12.647 -5.570 1.00 0.00 C ATOM 706 NE ARG A 43 0.903 12.372 -6.857 1.00 0.00 N ATOM 707 CZ ARG A 43 0.657 12.903 -8.057 1.00 0.00 C ATOM 708 NH1 ARG A 43 -0.235 13.876 -8.220 1.00 0.00 N ATOM 709 NH2 ARG A 43 1.306 12.424 -9.108 1.00 0.00 N ATOM 0 H ARG A 43 -2.086 10.632 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.816 10.290 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.950 11.437 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.490 12.278 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.527 11.431 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.001 10.521 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.421 13.494 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.010 12.930 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 43 1.647 11.675 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.751 14.235 -7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.403 14.264 -9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.977 11.665 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.134 12.814 -10.035 1.00 0.00 H new ATOM 723 N PHE A 44 -1.357 8.153 -5.425 1.00 0.00 N ATOM 724 CA PHE A 44 -0.756 7.007 -6.090 1.00 0.00 C ATOM 725 C PHE A 44 -1.528 5.703 -5.841 1.00 0.00 C ATOM 726 O PHE A 44 -1.166 4.676 -6.412 1.00 0.00 O ATOM 727 CB PHE A 44 0.688 6.882 -5.592 1.00 0.00 C ATOM 728 CG PHE A 44 0.792 6.652 -4.097 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.478 5.387 -3.568 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.225 7.677 -3.235 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.553 5.149 -2.192 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.329 7.428 -1.855 1.00 0.00 C ATOM 733 CZ PHE A 44 0.984 6.168 -1.334 1.00 0.00 C ATOM 0 H PHE A 44 -0.963 8.332 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.786 7.170 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.174 6.058 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.234 7.789 -5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.176 4.591 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.476 8.650 -3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.280 4.183 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.675 8.207 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.052 5.986 -0.272 1.00 0.00 H new ATOM 743 N LEU A 45 -2.555 5.693 -4.978 1.00 0.00 N ATOM 744 CA LEU A 45 -3.241 4.503 -4.497 1.00 0.00 C ATOM 745 C LEU A 45 -3.594 3.477 -5.587 1.00 0.00 C ATOM 746 O LEU A 45 -3.312 2.301 -5.354 1.00 0.00 O ATOM 747 CB LEU A 45 -4.460 4.972 -3.686 1.00 0.00 C ATOM 748 CG LEU A 45 -5.195 3.837 -2.972 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.361 3.246 -1.830 1.00 0.00 C ATOM 750 CD2 LEU A 45 -6.531 4.339 -2.415 1.00 0.00 C ATOM 0 H LEU A 45 -2.939 6.552 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.558 3.938 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.134 5.704 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.156 5.481 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.370 3.052 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.920 2.443 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.427 2.850 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.142 4.024 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.045 3.521 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.349 5.147 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.151 4.706 -3.233 1.00 0.00 H new ATOM 762 N PRO A 46 -4.152 3.847 -6.758 1.00 0.00 N ATOM 763 CA PRO A 46 -4.450 2.866 -7.798 1.00 0.00 C ATOM 764 C PRO A 46 -3.214 2.158 -8.350 1.00 0.00 C ATOM 765 O PRO A 46 -3.279 0.967 -8.660 1.00 0.00 O ATOM 766 CB PRO A 46 -5.204 3.630 -8.889 1.00 0.00 C ATOM 767 CG PRO A 46 -4.806 5.086 -8.670 1.00 0.00 C ATOM 768 CD PRO A 46 -4.653 5.157 -7.159 1.00 0.00 C ATOM 0 HA PRO A 46 -5.047 2.054 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.922 3.285 -9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.282 3.494 -8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.878 5.336 -9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.568 5.775 -9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.960 5.948 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.606 5.377 -6.678 1.00 0.00 H new ATOM 776 N GLU A 47 -2.091 2.863 -8.445 1.00 0.00 N ATOM 777 CA GLU A 47 -0.851 2.323 -8.968 1.00 0.00 C ATOM 778 C GLU A 47 -0.162 1.463 -7.917 1.00 0.00 C ATOM 779 O GLU A 47 0.437 0.446 -8.274 1.00 0.00 O ATOM 780 CB GLU A 47 0.060 3.471 -9.427 1.00 0.00 C ATOM 781 CG GLU A 47 -0.244 3.865 -10.875 1.00 0.00 C ATOM 782 CD GLU A 47 0.173 2.743 -11.828 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.400 2.558 -12.023 1.00 0.00 O ATOM 784 OE2 GLU A 47 -0.691 1.966 -12.286 1.00 0.00 O ATOM 0 H GLU A 47 -2.021 3.839 -8.156 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.069 1.689 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.078 4.333 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.104 3.169 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.309 4.070 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.286 4.783 -11.129 1.00 0.00 H new ATOM 791 N LEU A 48 -0.276 1.825 -6.633 1.00 0.00 N ATOM 792 CA LEU A 48 0.156 0.947 -5.556 1.00 0.00 C ATOM 793 C LEU A 48 -0.637 -0.342 -5.618 1.00 0.00 C ATOM 794 O LEU A 48 -0.029 -1.404 -5.616 1.00 0.00 O ATOM 795 CB LEU A 48 0.037 1.608 -4.178 1.00 0.00 C ATOM 796 CG LEU A 48 0.557 0.668 -3.063 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.482 1.400 -2.095 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.589 0.055 -2.249 1.00 0.00 C ATOM 0 H LEU A 48 -0.663 2.717 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 48 1.215 0.731 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.604 2.539 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.004 1.867 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 48 1.106 -0.122 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.826 0.708 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.340 1.794 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.941 2.222 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.179 -0.597 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.169 0.850 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.235 -0.524 -2.909 1.00 0.00 H new ATOM 810 N ALA A 49 -1.968 -0.261 -5.688 1.00 0.00 N ATOM 811 CA ALA A 49 -2.814 -1.453 -5.761 1.00 0.00 C ATOM 812 C ALA A 49 -2.445 -2.321 -6.962 1.00 0.00 C ATOM 813 O ALA A 49 -2.330 -3.537 -6.810 1.00 0.00 O ATOM 814 CB ALA A 49 -4.291 -1.045 -5.828 1.00 0.00 C ATOM 0 H ALA A 49 -2.483 0.619 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.649 -2.044 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.913 -1.938 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.552 -0.475 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.459 -0.432 -6.713 1.00 0.00 H new ATOM 820 N ARG A 50 -2.200 -1.725 -8.133 1.00 0.00 N ATOM 821 CA ARG A 50 -1.773 -2.461 -9.315 1.00 0.00 C ATOM 822 C ARG A 50 -0.472 -3.209 -9.038 1.00 0.00 C ATOM 823 O ARG A 50 -0.390 -4.408 -9.321 1.00 0.00 O ATOM 824 CB ARG A 50 -1.649 -1.488 -10.498 1.00 0.00 C ATOM 825 CG ARG A 50 -1.425 -2.239 -11.812 1.00 0.00 C ATOM 826 CD ARG A 50 -1.444 -1.281 -13.009 1.00 0.00 C ATOM 827 NE ARG A 50 -0.129 -0.682 -13.282 1.00 0.00 N ATOM 828 CZ ARG A 50 0.856 -1.278 -13.972 1.00 0.00 C ATOM 829 NH1 ARG A 50 0.733 -2.538 -14.386 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.966 -0.627 -14.283 1.00 0.00 N ATOM 0 H ARG A 50 -2.293 -0.720 -8.283 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.517 -3.214 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.553 -0.884 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.820 -0.802 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.469 -2.762 -11.777 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.198 -2.997 -11.937 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.783 -1.820 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.168 -0.488 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 50 0.048 0.255 -12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.117 -3.062 -14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.489 -2.979 -14.910 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.084 0.345 -13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.703 -1.098 -14.808 1.00 0.00 H new ATOM 844 N ALA A 51 0.528 -2.536 -8.469 1.00 0.00 N ATOM 845 CA ALA A 51 1.825 -3.136 -8.205 1.00 0.00 C ATOM 846 C ALA A 51 1.796 -4.127 -7.035 1.00 0.00 C ATOM 847 O ALA A 51 2.643 -5.017 -6.961 1.00 0.00 O ATOM 848 CB ALA A 51 2.862 -2.045 -7.960 1.00 0.00 C ATOM 0 H ALA A 51 0.457 -1.560 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 51 2.101 -3.711 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.832 -2.502 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.934 -1.407 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.563 -1.445 -7.101 1.00 0.00 H new ATOM 854 N LEU A 52 0.851 -3.978 -6.108 1.00 0.00 N ATOM 855 CA LEU A 52 0.503 -4.959 -5.087 1.00 0.00 C ATOM 856 C LEU A 52 -0.060 -6.203 -5.764 1.00 0.00 C ATOM 857 O LEU A 52 0.359 -7.317 -5.464 1.00 0.00 O ATOM 858 CB LEU A 52 -0.523 -4.358 -4.111 1.00 0.00 C ATOM 859 CG LEU A 52 -0.260 -4.720 -2.647 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.000 -4.052 -2.082 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.449 -4.243 -1.816 1.00 0.00 C ATOM 0 H LEU A 52 0.284 -3.133 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 52 1.392 -5.234 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.519 -3.273 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.520 -4.701 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.118 -5.800 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.133 -4.347 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.869 -4.365 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.895 -2.969 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.283 -4.491 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.557 -3.163 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.357 -4.734 -2.165 1.00 0.00 H new ATOM 873 N GLY A 53 -0.993 -6.001 -6.693 1.00 0.00 N ATOM 874 CA GLY A 53 -1.840 -7.021 -7.277 1.00 0.00 C ATOM 875 C GLY A 53 -3.129 -7.135 -6.476 1.00 0.00 C ATOM 876 O GLY A 53 -3.441 -8.218 -5.989 1.00 0.00 O ATOM 0 H GLY A 53 -1.182 -5.073 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.065 -6.771 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.320 -7.979 -7.286 1.00 0.00 H new ATOM 880 N VAL A 54 -3.834 -6.021 -6.271 1.00 0.00 N ATOM 881 CA VAL A 54 -5.184 -5.953 -5.708 1.00 0.00 C ATOM 882 C VAL A 54 -5.914 -4.791 -6.405 1.00 0.00 C ATOM 883 O VAL A 54 -5.305 -4.072 -7.207 1.00 0.00 O ATOM 884 CB VAL A 54 -5.160 -5.808 -4.165 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.356 -6.907 -3.453 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.629 -4.440 -3.731 1.00 0.00 C ATOM 0 H VAL A 54 -3.463 -5.100 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.721 -6.883 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.202 -5.912 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.385 -6.739 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.790 -7.881 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.322 -6.882 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.628 -4.379 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.613 -4.310 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.267 -3.656 -4.138 1.00 0.00 H new ATOM 896 N ALA A 55 -7.200 -4.577 -6.116 1.00 0.00 N ATOM 897 CA ALA A 55 -7.907 -3.356 -6.505 1.00 0.00 C ATOM 898 C ALA A 55 -7.793 -2.289 -5.406 1.00 0.00 C ATOM 899 O ALA A 55 -7.576 -2.606 -4.235 1.00 0.00 O ATOM 900 CB ALA A 55 -9.377 -3.695 -6.767 1.00 0.00 C ATOM 0 H ALA A 55 -7.779 -5.245 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.456 -2.952 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.913 -2.791 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.444 -4.430 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.823 -4.105 -5.861 1.00 0.00 H new ATOM 906 N VAL A 56 -8.056 -1.025 -5.741 1.00 0.00 N ATOM 907 CA VAL A 56 -8.352 0.027 -4.772 1.00 0.00 C ATOM 908 C VAL A 56 -9.564 -0.396 -3.948 1.00 0.00 C ATOM 909 O VAL A 56 -9.614 -0.101 -2.762 1.00 0.00 O ATOM 910 CB VAL A 56 -8.604 1.350 -5.523 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.084 2.481 -4.609 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.322 1.814 -6.219 1.00 0.00 C ATOM 0 H VAL A 56 -8.069 -0.700 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.513 0.182 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.393 1.139 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.243 3.383 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.020 2.191 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.332 2.675 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.512 2.749 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.540 1.969 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.000 1.055 -6.932 1.00 0.00 H new ATOM 922 N ASP A 57 -10.521 -1.112 -4.536 1.00 0.00 N ATOM 923 CA ASP A 57 -11.703 -1.578 -3.821 1.00 0.00 C ATOM 924 C ASP A 57 -11.354 -2.564 -2.707 1.00 0.00 C ATOM 925 O ASP A 57 -11.959 -2.506 -1.637 1.00 0.00 O ATOM 926 CB ASP A 57 -12.667 -2.229 -4.817 1.00 0.00 C ATOM 927 CG ASP A 57 -14.080 -2.357 -4.267 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.615 -1.343 -3.771 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.694 -3.437 -4.386 1.00 0.00 O ATOM 0 H ASP A 57 -10.497 -1.384 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.173 -0.716 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.690 -1.639 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.294 -3.218 -5.084 1.00 0.00 H new ATOM 934 N TRP A 58 -10.342 -3.412 -2.917 1.00 0.00 N ATOM 935 CA TRP A 58 -9.765 -4.252 -1.876 1.00 0.00 C ATOM 936 C TRP A 58 -9.028 -3.382 -0.874 1.00 0.00 C ATOM 937 O TRP A 58 -9.183 -3.560 0.326 1.00 0.00 O ATOM 938 CB TRP A 58 -8.769 -5.244 -2.469 1.00 0.00 C ATOM 939 CG TRP A 58 -8.161 -6.225 -1.513 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.686 -7.428 -1.222 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.896 -6.166 -0.784 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.825 -8.141 -0.415 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.698 -7.411 -0.120 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.881 -5.199 -0.635 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.541 -7.694 0.618 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.708 -5.472 0.098 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.538 -6.720 0.722 1.00 0.00 C ATOM 0 H TRP A 58 -9.899 -3.532 -3.828 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.575 -4.797 -1.392 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.271 -5.802 -3.259 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.963 -4.680 -2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.644 -7.785 -1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.001 -9.088 -0.080 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.005 -4.228 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.423 -8.652 1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.937 -4.720 0.180 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.637 -6.928 1.280 1.00 0.00 H new ATOM 958 N LEU A 59 -8.210 -2.437 -1.333 1.00 0.00 N ATOM 959 CA LEU A 59 -7.485 -1.562 -0.425 1.00 0.00 C ATOM 960 C LEU A 59 -8.454 -0.833 0.504 1.00 0.00 C ATOM 961 O LEU A 59 -8.224 -0.825 1.712 1.00 0.00 O ATOM 962 CB LEU A 59 -6.569 -0.619 -1.211 1.00 0.00 C ATOM 963 CG LEU A 59 -5.182 -1.221 -1.512 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.326 -0.184 -2.237 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.392 -1.655 -0.266 1.00 0.00 C ATOM 0 H LEU A 59 -8.036 -2.261 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.836 -2.158 0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.053 -0.354 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.441 0.305 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.379 -2.110 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.345 -0.608 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.811 0.099 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.211 0.698 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.430 -2.067 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.230 -0.793 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.956 -2.414 0.276 1.00 0.00 H new ATOM 977 N LEU A 60 -9.557 -0.302 -0.019 1.00 0.00 N ATOM 978 CA LEU A 60 -10.573 0.376 0.764 1.00 0.00 C ATOM 979 C LEU A 60 -11.291 -0.623 1.670 1.00 0.00 C ATOM 980 O LEU A 60 -11.265 -0.452 2.887 1.00 0.00 O ATOM 981 CB LEU A 60 -11.551 1.100 -0.175 1.00 0.00 C ATOM 982 CG LEU A 60 -10.953 2.362 -0.839 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.891 2.852 -1.946 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.719 3.519 0.143 1.00 0.00 C ATOM 0 H LEU A 60 -9.768 -0.334 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.106 1.124 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.873 0.408 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.440 1.383 0.388 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.982 2.067 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.469 3.742 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.009 2.070 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.864 3.094 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.298 4.371 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.667 3.808 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.026 3.201 0.921 1.00 0.00 H new ATOM 996 N ASN A 61 -11.940 -1.640 1.096 1.00 0.00 N ATOM 997 CA ASN A 61 -12.984 -2.424 1.765 1.00 0.00 C ATOM 998 C ASN A 61 -12.545 -3.832 2.176 1.00 0.00 C ATOM 999 O ASN A 61 -13.192 -4.447 3.025 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.201 -2.552 0.846 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.673 -1.221 0.293 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.262 -0.412 1.005 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.372 -0.931 -0.960 1.00 0.00 N ATOM 0 H ASN A 61 -11.753 -1.947 0.141 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.220 -1.880 2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.955 -3.216 0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.017 -3.019 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.629 -0.024 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.882 -1.614 -1.538 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.464 -4.350 1.598 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.659 -5.443 2.120 1.00 0.00 C ATOM 1012 C GLY A 62 -11.356 -6.761 2.375 1.00 0.00 C ATOM 1013 O GLY A 62 -11.276 -7.274 3.491 1.00 0.00 O ATOM 0 H GLY A 62 -11.111 -3.998 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.842 -5.624 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.210 -5.113 3.057 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.919 -7.331 1.308 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.265 -8.740 1.156 1.00 0.00 C ATOM 1019 C ALA A 63 -12.786 -9.372 2.449 1.00 0.00 C ATOM 1020 O ALA A 63 -12.051 -10.076 3.150 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.046 -9.485 0.591 1.00 0.00 C ATOM 0 H ALA A 63 -12.159 -6.787 0.479 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.096 -8.822 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.288 -10.541 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.778 -9.062 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.206 -9.381 1.278 1.00 0.00 H new