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 17 GLN : amide:sc= 2.58 K(o=3.6,f=-5.9) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.98 K(o=3.6,f=-3.4!) USER MOD Single : A 2 MET CE :methyl 168:sc= -0.0528 (180deg=-0.126) USER MOD Single : A 12 GLN : amide:sc= 0.335 K(o=0.33,f=-2.9!) USER MOD Single : A 16 ASN : amide:sc= 0.417 K(o=0.42,f=-5.7!) USER MOD Single : A 22 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0.423 (180deg=0.351) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.63) USER MOD Single : A 36 ASN : amide:sc=-0.00984 K(o=-0.0098,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00438) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.344 -1.171 6.730 1.00 0.00 N ATOM 38 CA MET A 2 -5.642 -0.853 5.492 1.00 0.00 C ATOM 39 C MET A 2 -4.144 -1.020 5.657 1.00 0.00 C ATOM 40 O MET A 2 -3.520 -1.692 4.841 1.00 0.00 O ATOM 41 CB MET A 2 -5.971 0.584 5.057 1.00 0.00 C ATOM 42 CG MET A 2 -7.111 0.599 4.041 1.00 0.00 C ATOM 43 SD MET A 2 -8.490 1.705 4.452 1.00 0.00 S ATOM 44 CE MET A 2 -7.658 3.291 4.218 1.00 0.00 C ATOM 0 HA MET A 2 -5.976 -1.547 4.721 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.247 1.178 5.928 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.086 1.048 4.623 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.709 0.889 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.497 -0.415 3.936 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.397 4.093 4.217 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.948 3.453 5.029 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.126 3.286 3.266 1.00 0.00 H new ATOM 54 N GLY A 3 -3.566 -0.380 6.666 1.00 0.00 N ATOM 55 CA GLY A 3 -2.151 -0.474 6.959 1.00 0.00 C ATOM 56 C GLY A 3 -1.685 -1.924 7.010 1.00 0.00 C ATOM 57 O GLY A 3 -0.776 -2.307 6.278 1.00 0.00 O ATOM 0 H GLY A 3 -4.078 0.225 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.585 0.064 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.943 0.010 7.914 1.00 0.00 H new ATOM 61 N GLU A 4 -2.332 -2.752 7.826 1.00 0.00 N ATOM 62 CA GLU A 4 -2.016 -4.167 7.926 1.00 0.00 C ATOM 63 C GLU A 4 -2.334 -4.915 6.635 1.00 0.00 C ATOM 64 O GLU A 4 -1.599 -5.824 6.292 1.00 0.00 O ATOM 65 CB GLU A 4 -2.753 -4.793 9.113 1.00 0.00 C ATOM 66 CG GLU A 4 -1.827 -5.691 9.933 1.00 0.00 C ATOM 67 CD GLU A 4 -1.403 -6.997 9.253 1.00 0.00 C ATOM 68 OE1 GLU A 4 -2.249 -7.915 9.118 1.00 0.00 O ATOM 69 OE2 GLU A 4 -0.182 -7.192 9.052 1.00 0.00 O ATOM 0 H GLU A 4 -3.093 -2.455 8.437 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.942 -4.255 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.156 -4.005 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.600 -5.375 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.930 -5.125 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.324 -5.935 10.872 1.00 0.00 H new ATOM 76 N ARG A 5 -3.381 -4.544 5.888 1.00 0.00 N ATOM 77 CA ARG A 5 -3.671 -5.121 4.575 1.00 0.00 C ATOM 78 C ARG A 5 -2.437 -4.935 3.704 1.00 0.00 C ATOM 79 O ARG A 5 -1.938 -5.904 3.139 1.00 0.00 O ATOM 80 CB ARG A 5 -4.893 -4.445 3.917 1.00 0.00 C ATOM 81 CG ARG A 5 -6.165 -5.289 3.978 1.00 0.00 C ATOM 82 CD ARG A 5 -7.224 -4.831 2.973 1.00 0.00 C ATOM 83 NE ARG A 5 -7.823 -3.518 3.269 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.761 -3.228 4.178 1.00 0.00 C ATOM 85 NH1 ARG A 5 -9.141 -4.091 5.109 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.332 -2.036 4.146 1.00 0.00 N ATOM 0 H ARG A 5 -4.051 -3.833 6.180 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.912 -6.178 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.077 -3.489 4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.660 -4.228 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.914 -6.332 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.580 -5.241 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.773 -4.795 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.017 -5.578 2.935 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.481 -2.734 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.714 -5.017 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.860 -3.830 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.055 -1.357 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.049 -1.796 4.830 1.00 0.00 H new ATOM 100 N ILE A 6 -1.944 -3.703 3.596 1.00 0.00 N ATOM 101 CA ILE A 6 -0.766 -3.349 2.819 1.00 0.00 C ATOM 102 C ILE A 6 0.412 -4.159 3.343 1.00 0.00 C ATOM 103 O ILE A 6 1.043 -4.858 2.554 1.00 0.00 O ATOM 104 CB ILE A 6 -0.524 -1.821 2.876 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.701 -1.067 2.220 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.797 -1.422 2.191 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.906 0.329 2.801 1.00 0.00 C ATOM 0 H ILE A 6 -2.369 -2.902 4.062 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.904 -3.593 1.766 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.453 -1.543 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.523 -0.987 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.615 -1.647 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.928 -0.342 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.630 -1.918 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.770 -1.724 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.746 0.811 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.114 0.252 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.005 0.922 2.649 1.00 0.00 H new ATOM 119 N ARG A 7 0.704 -4.091 4.646 1.00 0.00 N ATOM 120 CA ARG A 7 1.875 -4.743 5.213 1.00 0.00 C ATOM 121 C ARG A 7 1.834 -6.251 4.995 1.00 0.00 C ATOM 122 O ARG A 7 2.808 -6.815 4.509 1.00 0.00 O ATOM 123 CB ARG A 7 1.945 -4.442 6.717 1.00 0.00 C ATOM 124 CG ARG A 7 3.319 -4.813 7.305 1.00 0.00 C ATOM 125 CD ARG A 7 3.211 -5.365 8.726 1.00 0.00 C ATOM 126 NE ARG A 7 2.499 -6.652 8.747 1.00 0.00 N ATOM 127 CZ ARG A 7 2.987 -7.872 8.951 1.00 0.00 C ATOM 128 NH1 ARG A 7 4.287 -8.068 9.120 1.00 0.00 N ATOM 129 NH2 ARG A 7 2.144 -8.897 8.973 1.00 0.00 N ATOM 0 H ARG A 7 0.137 -3.586 5.327 1.00 0.00 H new ATOM 0 HA ARG A 7 2.760 -4.354 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.750 -3.383 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.164 -4.997 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.798 -5.554 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.961 -3.932 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.209 -5.492 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.688 -4.647 9.358 1.00 0.00 H new ATOM 0 HE ARG A 7 1.494 -6.602 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.930 -7.276 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.645 -9.010 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.146 -8.739 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.494 -9.842 9.128 1.00 0.00 H new ATOM 143 N ALA A 8 0.702 -6.895 5.268 1.00 0.00 N ATOM 144 CA ALA A 8 0.518 -8.333 5.164 1.00 0.00 C ATOM 145 C ALA A 8 0.590 -8.758 3.708 1.00 0.00 C ATOM 146 O ALA A 8 1.205 -9.772 3.402 1.00 0.00 O ATOM 147 CB ALA A 8 -0.822 -8.765 5.768 1.00 0.00 C ATOM 0 H ALA A 8 -0.140 -6.409 5.578 1.00 0.00 H new ATOM 0 HA ALA A 8 1.316 -8.820 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.931 -9.846 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.853 -8.486 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.636 -8.271 5.238 1.00 0.00 H new ATOM 153 N ARG A 9 0.004 -7.993 2.787 1.00 0.00 N ATOM 154 CA ARG A 9 0.109 -8.287 1.366 1.00 0.00 C ATOM 155 C ARG A 9 1.546 -8.076 0.879 1.00 0.00 C ATOM 156 O ARG A 9 2.001 -8.842 0.030 1.00 0.00 O ATOM 157 CB ARG A 9 -0.947 -7.460 0.636 1.00 0.00 C ATOM 158 CG ARG A 9 -0.902 -7.539 -0.881 1.00 0.00 C ATOM 159 CD ARG A 9 -1.111 -8.909 -1.507 1.00 0.00 C ATOM 160 NE ARG A 9 -0.965 -8.802 -2.967 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.574 -9.606 -3.848 1.00 0.00 C ATOM 162 NH1 ARG A 9 -2.325 -10.632 -3.471 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.438 -9.362 -5.137 1.00 0.00 N ATOM 0 H ARG A 9 -0.549 -7.164 3.005 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.098 -9.335 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.933 -7.783 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.836 -6.417 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.662 -6.866 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.065 -7.159 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.386 -9.619 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.101 -9.290 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.360 -8.067 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.455 -10.832 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.773 -11.222 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.876 -8.571 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.895 -9.965 -5.821 1.00 0.00 H new ATOM 177 N ARG A 10 2.293 -7.112 1.432 1.00 0.00 N ATOM 178 CA ARG A 10 3.738 -7.047 1.286 1.00 0.00 C ATOM 179 C ARG A 10 4.379 -8.353 1.764 1.00 0.00 C ATOM 180 O ARG A 10 5.209 -8.871 1.028 1.00 0.00 O ATOM 181 CB ARG A 10 4.313 -5.823 2.030 1.00 0.00 C ATOM 182 CG ARG A 10 5.371 -5.071 1.204 1.00 0.00 C ATOM 183 CD ARG A 10 5.536 -3.603 1.627 1.00 0.00 C ATOM 184 NE ARG A 10 5.420 -3.334 3.064 1.00 0.00 N ATOM 185 CZ ARG A 10 5.954 -3.974 4.108 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.809 -4.980 4.012 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.610 -3.593 5.312 1.00 0.00 N ATOM 0 H ARG A 10 1.903 -6.356 1.994 1.00 0.00 H new ATOM 0 HA ARG A 10 3.977 -6.924 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.501 -5.141 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.757 -6.150 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.329 -5.581 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.096 -5.110 0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.512 -3.255 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.787 -3.008 1.104 1.00 0.00 H new ATOM 0 HE ARG A 10 4.839 -2.531 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.102 -5.315 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.175 -5.420 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.950 -2.825 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.002 -4.064 6.127 1.00 0.00 H new ATOM 201 N ILE A 11 4.009 -8.912 2.926 1.00 0.00 N ATOM 202 CA ILE A 11 4.537 -10.201 3.404 1.00 0.00 C ATOM 203 C ILE A 11 4.149 -11.337 2.446 1.00 0.00 C ATOM 204 O ILE A 11 4.956 -12.229 2.198 1.00 0.00 O ATOM 205 CB ILE A 11 4.111 -10.533 4.859 1.00 0.00 C ATOM 206 CG1 ILE A 11 4.358 -9.409 5.885 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.841 -11.790 5.367 1.00 0.00 C ATOM 208 CD1 ILE A 11 5.718 -8.709 5.797 1.00 0.00 C ATOM 0 H ILE A 11 3.336 -8.484 3.561 1.00 0.00 H new ATOM 0 HA ILE A 11 5.623 -10.105 3.417 1.00 0.00 H new ATOM 0 HB ILE A 11 3.034 -10.683 4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.577 -8.658 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.250 -9.827 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.528 -12.005 6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.595 -12.637 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.917 -11.619 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.781 -7.938 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.513 -9.439 5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.829 -8.252 4.814 1.00 0.00 H new ATOM 220 N GLN A 12 2.971 -11.279 1.827 1.00 0.00 N ATOM 221 CA GLN A 12 2.496 -12.210 0.801 1.00 0.00 C ATOM 222 C GLN A 12 3.303 -12.120 -0.505 1.00 0.00 C ATOM 223 O GLN A 12 3.072 -12.879 -1.449 1.00 0.00 O ATOM 224 CB GLN A 12 1.021 -11.894 0.525 1.00 0.00 C ATOM 225 CG GLN A 12 0.162 -13.136 0.273 1.00 0.00 C ATOM 226 CD GLN A 12 -1.238 -12.769 -0.217 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.408 -12.071 -1.216 1.00 0.00 O ATOM 228 NE2 GLN A 12 -2.281 -13.252 0.426 1.00 0.00 N ATOM 0 H GLN A 12 2.290 -10.549 2.035 1.00 0.00 H new ATOM 0 HA GLN A 12 2.623 -13.227 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.611 -11.346 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.956 -11.236 -0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.650 -13.772 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.085 -13.717 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.146 -13.831 1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.224 -13.047 0.095 1.00 0.00 H new ATOM 237 N LEU A 13 4.201 -11.144 -0.591 1.00 0.00 N ATOM 238 CA LEU A 13 5.237 -10.970 -1.611 1.00 0.00 C ATOM 239 C LEU A 13 6.644 -11.024 -0.982 1.00 0.00 C ATOM 240 O LEU A 13 7.647 -10.945 -1.684 1.00 0.00 O ATOM 241 CB LEU A 13 4.954 -9.647 -2.349 1.00 0.00 C ATOM 242 CG LEU A 13 5.801 -9.370 -3.608 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.695 -10.480 -4.662 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.323 -8.047 -4.216 1.00 0.00 C ATOM 0 H LEU A 13 4.228 -10.396 0.102 1.00 0.00 H new ATOM 0 HA LEU A 13 5.212 -11.785 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.902 -9.633 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.105 -8.826 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 13 6.848 -9.325 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.314 -10.225 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.039 -11.422 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.657 -10.583 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.906 -7.826 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.269 -8.128 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.454 -7.245 -3.490 1.00 0.00 H new ATOM 256 N GLY A 14 6.722 -11.134 0.346 1.00 0.00 N ATOM 257 CA GLY A 14 7.895 -11.068 1.209 1.00 0.00 C ATOM 258 C GLY A 14 8.684 -9.765 1.100 1.00 0.00 C ATOM 259 O GLY A 14 9.833 -9.715 1.540 1.00 0.00 O ATOM 0 H GLY A 14 5.877 -11.287 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.578 -11.202 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.556 -11.900 0.968 1.00 0.00 H new ATOM 263 N LEU A 15 8.097 -8.704 0.544 1.00 0.00 N ATOM 264 CA LEU A 15 8.845 -7.486 0.237 1.00 0.00 C ATOM 265 C LEU A 15 8.917 -6.635 1.511 1.00 0.00 C ATOM 266 O LEU A 15 8.145 -6.830 2.454 1.00 0.00 O ATOM 267 CB LEU A 15 8.132 -6.681 -0.877 1.00 0.00 C ATOM 268 CG LEU A 15 8.750 -6.775 -2.285 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.109 -5.699 -3.174 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.272 -6.624 -2.306 1.00 0.00 C ATOM 0 H LEU A 15 7.108 -8.664 0.298 1.00 0.00 H new ATOM 0 HA LEU A 15 9.845 -7.747 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.097 -7.018 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.110 -5.632 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 15 8.544 -7.778 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.536 -5.752 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.033 -5.866 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.302 -4.714 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.631 -6.702 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.547 -5.651 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.724 -7.411 -1.703 1.00 0.00 H new ATOM 282 N ASN A 16 9.787 -5.627 1.520 1.00 0.00 N ATOM 283 CA ASN A 16 9.824 -4.531 2.493 1.00 0.00 C ATOM 284 C ASN A 16 9.172 -3.287 1.904 1.00 0.00 C ATOM 285 O ASN A 16 8.865 -3.221 0.712 1.00 0.00 O ATOM 286 CB ASN A 16 11.255 -4.180 2.930 1.00 0.00 C ATOM 287 CG ASN A 16 12.175 -3.852 1.760 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.260 -4.619 0.809 1.00 0.00 O ATOM 289 ND2 ASN A 16 12.849 -2.723 1.785 1.00 0.00 N ATOM 0 H ASN A 16 10.521 -5.546 0.817 1.00 0.00 H new ATOM 0 HA ASN A 16 9.276 -4.872 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.222 -3.328 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.673 -5.017 3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.455 -2.474 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.765 -2.097 2.586 1.00 0.00 H new ATOM 296 N GLN A 17 8.967 -2.290 2.764 1.00 0.00 N ATOM 297 CA GLN A 17 8.317 -1.032 2.445 1.00 0.00 C ATOM 298 C GLN A 17 8.981 -0.307 1.275 1.00 0.00 C ATOM 299 O GLN A 17 8.277 0.155 0.382 1.00 0.00 O ATOM 300 CB GLN A 17 8.371 -0.153 3.693 1.00 0.00 C ATOM 301 CG GLN A 17 7.599 -0.743 4.875 1.00 0.00 C ATOM 302 CD GLN A 17 7.759 0.137 6.104 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.831 0.673 6.382 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.707 0.282 6.865 1.00 0.00 N ATOM 0 H GLN A 17 9.263 -2.345 3.739 1.00 0.00 H new ATOM 0 HA GLN A 17 7.290 -1.237 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.412 -0.007 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.965 0.830 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.543 -0.833 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.962 -1.748 5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.829 -0.172 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.764 0.850 7.711 1.00 0.00 H new ATOM 313 N ALA A 18 10.312 -0.199 1.266 1.00 0.00 N ATOM 314 CA ALA A 18 11.009 0.629 0.300 1.00 0.00 C ATOM 315 C ALA A 18 10.855 0.049 -1.097 1.00 0.00 C ATOM 316 O ALA A 18 10.669 0.798 -2.047 1.00 0.00 O ATOM 317 CB ALA A 18 12.480 0.808 0.670 1.00 0.00 C ATOM 0 H ALA A 18 10.924 -0.681 1.924 1.00 0.00 H new ATOM 0 HA ALA A 18 10.556 1.620 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.969 1.434 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.554 1.284 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.968 -0.166 0.703 1.00 0.00 H new ATOM 323 N GLU A 19 10.872 -1.272 -1.254 1.00 0.00 N ATOM 324 CA GLU A 19 10.624 -1.870 -2.554 1.00 0.00 C ATOM 325 C GLU A 19 9.200 -1.653 -3.037 1.00 0.00 C ATOM 326 O GLU A 19 9.007 -1.403 -4.230 1.00 0.00 O ATOM 327 CB GLU A 19 10.895 -3.351 -2.421 1.00 0.00 C ATOM 328 CG GLU A 19 12.394 -3.562 -2.258 1.00 0.00 C ATOM 329 CD GLU A 19 13.106 -3.722 -3.602 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.802 -2.943 -4.542 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.000 -4.591 -3.708 1.00 0.00 O ATOM 0 H GLU A 19 11.053 -1.939 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 19 11.275 -1.399 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.361 -3.757 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.533 -3.882 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.822 -2.715 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.570 -4.448 -1.648 1.00 0.00 H new ATOM 338 N LEU A 20 8.213 -1.741 -2.136 1.00 0.00 N ATOM 339 CA LEU A 20 6.835 -1.398 -2.470 1.00 0.00 C ATOM 340 C LEU A 20 6.770 0.053 -2.939 1.00 0.00 C ATOM 341 O LEU A 20 6.025 0.359 -3.858 1.00 0.00 O ATOM 342 CB LEU A 20 5.890 -1.640 -1.277 1.00 0.00 C ATOM 343 CG LEU A 20 4.420 -1.282 -1.593 1.00 0.00 C ATOM 344 CD1 LEU A 20 3.880 -2.208 -2.681 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.506 -1.407 -0.371 1.00 0.00 C ATOM 0 H LEU A 20 8.348 -2.047 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 20 6.499 -2.047 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.948 -2.687 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.228 -1.048 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 20 4.419 -0.243 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.844 -1.949 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.479 -2.095 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.932 -3.241 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.486 -1.144 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.528 -2.433 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.852 -0.733 0.413 1.00 0.00 H new ATOM 357 N ALA A 21 7.554 0.934 -2.329 1.00 0.00 N ATOM 358 CA ALA A 21 7.606 2.332 -2.696 1.00 0.00 C ATOM 359 C ALA A 21 8.206 2.528 -4.084 1.00 0.00 C ATOM 360 O ALA A 21 7.594 3.165 -4.945 1.00 0.00 O ATOM 361 CB ALA A 21 8.409 3.126 -1.663 1.00 0.00 C ATOM 0 H ALA A 21 8.176 0.689 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 21 6.581 2.703 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.439 4.176 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.936 3.034 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.425 2.735 -1.613 1.00 0.00 H new ATOM 367 N GLN A 22 9.408 1.986 -4.289 1.00 0.00 N ATOM 368 CA GLN A 22 10.294 2.350 -5.378 1.00 0.00 C ATOM 369 C GLN A 22 9.574 2.101 -6.693 1.00 0.00 C ATOM 370 O GLN A 22 9.547 2.965 -7.566 1.00 0.00 O ATOM 371 CB GLN A 22 11.600 1.534 -5.290 1.00 0.00 C ATOM 372 CG GLN A 22 12.814 2.277 -5.870 1.00 0.00 C ATOM 373 CD GLN A 22 13.349 3.383 -4.955 1.00 0.00 C ATOM 374 OE1 GLN A 22 13.167 3.363 -3.739 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.037 4.363 -5.513 1.00 0.00 N ATOM 0 H GLN A 22 9.795 1.263 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 22 10.560 3.405 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.797 1.286 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.470 0.592 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.611 1.559 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.538 2.713 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.184 4.373 -6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.421 5.110 -4.935 1.00 0.00 H new ATOM 384 N LYS A 23 8.953 0.927 -6.824 1.00 0.00 N ATOM 385 CA LYS A 23 8.325 0.522 -8.058 1.00 0.00 C ATOM 386 C LYS A 23 6.988 1.214 -8.320 1.00 0.00 C ATOM 387 O LYS A 23 6.500 1.166 -9.447 1.00 0.00 O ATOM 388 CB LYS A 23 8.278 -1.007 -8.067 1.00 0.00 C ATOM 389 CG LYS A 23 6.939 -1.709 -7.812 1.00 0.00 C ATOM 390 CD LYS A 23 6.662 -2.036 -6.341 1.00 0.00 C ATOM 391 CE LYS A 23 5.375 -2.861 -6.211 1.00 0.00 C ATOM 392 NZ LYS A 23 5.477 -4.177 -6.893 1.00 0.00 N ATOM 0 H LYS A 23 8.878 0.241 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 23 8.916 0.856 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.646 -1.342 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.985 -1.363 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.135 -1.077 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.913 -2.634 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.501 -2.590 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.570 -1.114 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.152 -3.018 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.542 -2.299 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.610 -4.725 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.596 -4.030 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.296 -4.698 -6.521 1.00 0.00 H new ATOM 406 N VAL A 24 6.369 1.812 -7.300 1.00 0.00 N ATOM 407 CA VAL A 24 5.142 2.584 -7.466 1.00 0.00 C ATOM 408 C VAL A 24 5.505 4.037 -7.807 1.00 0.00 C ATOM 409 O VAL A 24 4.687 4.744 -8.397 1.00 0.00 O ATOM 410 CB VAL A 24 4.280 2.441 -6.195 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.908 3.104 -6.302 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.934 0.966 -5.928 1.00 0.00 C ATOM 0 H VAL A 24 6.706 1.773 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 24 4.542 2.209 -8.295 1.00 0.00 H new ATOM 0 HB VAL A 24 4.888 2.906 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.361 2.961 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.033 4.171 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.350 2.654 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.326 0.892 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.378 0.564 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.853 0.395 -5.793 1.00 0.00 H new ATOM 422 N GLY A 25 6.729 4.474 -7.494 1.00 0.00 N ATOM 423 CA GLY A 25 7.213 5.821 -7.751 1.00 0.00 C ATOM 424 C GLY A 25 7.132 6.715 -6.522 1.00 0.00 C ATOM 425 O GLY A 25 7.273 7.932 -6.655 1.00 0.00 O ATOM 0 H GLY A 25 7.424 3.879 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.247 5.773 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.630 6.265 -8.558 1.00 0.00 H new ATOM 429 N VAL A 26 6.866 6.143 -5.346 1.00 0.00 N ATOM 430 CA VAL A 26 6.636 6.859 -4.108 1.00 0.00 C ATOM 431 C VAL A 26 7.856 6.720 -3.193 1.00 0.00 C ATOM 432 O VAL A 26 8.850 6.081 -3.555 1.00 0.00 O ATOM 433 CB VAL A 26 5.303 6.368 -3.512 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.187 6.462 -4.556 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.312 4.939 -2.971 1.00 0.00 C ATOM 0 H VAL A 26 6.805 5.131 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 26 6.529 7.933 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 26 5.134 7.028 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.251 6.112 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.073 7.498 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.441 5.843 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.327 4.694 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.563 4.247 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.053 4.855 -2.176 1.00 0.00 H new ATOM 445 N ASP A 27 7.833 7.359 -2.027 1.00 0.00 N ATOM 446 CA ASP A 27 8.853 7.230 -1.009 1.00 0.00 C ATOM 447 C ASP A 27 8.569 6.036 -0.098 1.00 0.00 C ATOM 448 O ASP A 27 7.417 5.676 0.140 1.00 0.00 O ATOM 449 CB ASP A 27 8.974 8.510 -0.167 1.00 0.00 C ATOM 450 CG ASP A 27 7.842 9.529 -0.236 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.777 10.299 -1.225 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.012 9.602 0.692 1.00 0.00 O ATOM 0 H ASP A 27 7.081 7.996 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 27 9.800 7.066 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.091 8.213 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.895 9.015 -0.460 1.00 0.00 H new ATOM 457 N GLN A 28 9.624 5.498 0.513 1.00 0.00 N ATOM 458 CA GLN A 28 9.596 4.664 1.714 1.00 0.00 C ATOM 459 C GLN A 28 8.641 5.282 2.750 1.00 0.00 C ATOM 460 O GLN A 28 7.779 4.591 3.288 1.00 0.00 O ATOM 461 CB GLN A 28 11.059 4.526 2.192 1.00 0.00 C ATOM 462 CG GLN A 28 11.294 4.256 3.685 1.00 0.00 C ATOM 463 CD GLN A 28 10.668 2.965 4.186 1.00 0.00 C ATOM 464 OE1 GLN A 28 10.846 1.910 3.586 1.00 0.00 O ATOM 465 NE2 GLN A 28 9.980 3.017 5.309 1.00 0.00 N ATOM 0 H GLN A 28 10.572 5.640 0.165 1.00 0.00 H new ATOM 0 HA GLN A 28 9.205 3.663 1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.523 3.718 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.587 5.443 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.367 4.224 3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.894 5.090 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.849 3.909 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.579 2.165 5.701 1.00 0.00 H new ATOM 474 N GLN A 29 8.765 6.590 2.998 1.00 0.00 N ATOM 475 CA GLN A 29 7.856 7.365 3.833 1.00 0.00 C ATOM 476 C GLN A 29 6.392 7.226 3.408 1.00 0.00 C ATOM 477 O GLN A 29 5.534 7.086 4.276 1.00 0.00 O ATOM 478 CB GLN A 29 8.344 8.822 3.942 1.00 0.00 C ATOM 479 CG GLN A 29 7.659 9.636 5.055 1.00 0.00 C ATOM 480 CD GLN A 29 6.460 10.447 4.560 1.00 0.00 C ATOM 481 OE1 GLN A 29 5.318 10.231 4.962 1.00 0.00 O ATOM 482 NE2 GLN A 29 6.689 11.453 3.733 1.00 0.00 N ATOM 0 H GLN A 29 9.524 7.150 2.610 1.00 0.00 H new ATOM 0 HA GLN A 29 7.877 6.948 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.420 8.821 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.178 9.321 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.330 8.957 5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.387 10.313 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.636 11.633 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.919 12.049 3.429 1.00 0.00 H new ATOM 491 N ALA A 30 6.082 7.267 2.112 1.00 0.00 N ATOM 492 CA ALA A 30 4.726 7.059 1.628 1.00 0.00 C ATOM 493 C ALA A 30 4.164 5.726 2.109 1.00 0.00 C ATOM 494 O ALA A 30 3.006 5.685 2.519 1.00 0.00 O ATOM 495 CB ALA A 30 4.640 7.135 0.100 1.00 0.00 C ATOM 0 H ALA A 30 6.764 7.445 1.375 1.00 0.00 H new ATOM 0 HA ALA A 30 4.124 7.868 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.609 6.974 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.972 8.118 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.278 6.368 -0.339 1.00 0.00 H new ATOM 501 N ILE A 31 4.950 4.647 2.072 1.00 0.00 N ATOM 502 CA ILE A 31 4.469 3.358 2.544 1.00 0.00 C ATOM 503 C ILE A 31 4.352 3.392 4.067 1.00 0.00 C ATOM 504 O ILE A 31 3.372 2.875 4.590 1.00 0.00 O ATOM 505 CB ILE A 31 5.360 2.217 2.023 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.489 2.245 0.487 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.836 0.848 2.483 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.201 2.402 -0.337 1.00 0.00 C ATOM 0 H ILE A 31 5.909 4.645 1.724 1.00 0.00 H new ATOM 0 HA ILE A 31 3.474 3.159 2.146 1.00 0.00 H new ATOM 0 HB ILE A 31 6.352 2.373 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.158 3.063 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.976 1.321 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.486 0.062 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.825 0.810 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.825 0.699 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.447 2.405 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.528 1.572 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.713 3.341 -0.075 1.00 0.00 H new ATOM 520 N GLU A 32 5.284 4.040 4.769 1.00 0.00 N ATOM 521 CA GLU A 32 5.247 4.199 6.219 1.00 0.00 C ATOM 522 C GLU A 32 3.923 4.843 6.656 1.00 0.00 C ATOM 523 O GLU A 32 3.214 4.312 7.512 1.00 0.00 O ATOM 524 CB GLU A 32 6.454 5.045 6.665 1.00 0.00 C ATOM 525 CG GLU A 32 6.747 4.927 8.161 1.00 0.00 C ATOM 526 CD GLU A 32 7.551 3.667 8.464 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.967 2.564 8.529 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.782 3.785 8.678 1.00 0.00 O ATOM 0 H GLU A 32 6.098 4.475 4.336 1.00 0.00 H new ATOM 0 HA GLU A 32 5.307 3.221 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.335 4.736 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.269 6.090 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.299 5.804 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.810 4.907 8.718 1.00 0.00 H new ATOM 535 N GLN A 33 3.559 5.982 6.055 1.00 0.00 N ATOM 536 CA GLN A 33 2.329 6.673 6.412 1.00 0.00 C ATOM 537 C GLN A 33 1.102 5.837 6.032 1.00 0.00 C ATOM 538 O GLN A 33 0.104 5.850 6.746 1.00 0.00 O ATOM 539 CB GLN A 33 2.276 8.095 5.830 1.00 0.00 C ATOM 540 CG GLN A 33 2.146 8.127 4.306 1.00 0.00 C ATOM 541 CD GLN A 33 2.004 9.544 3.742 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.514 10.451 4.407 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.409 9.796 2.503 1.00 0.00 N ATOM 0 H GLN A 33 4.102 6.438 5.322 1.00 0.00 H new ATOM 0 HA GLN A 33 2.316 6.792 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.433 8.628 6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.179 8.632 6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.022 7.653 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.279 7.536 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.818 9.051 1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.311 10.734 2.115 1.00 0.00 H new ATOM 552 N LEU A 34 1.132 5.113 4.914 1.00 0.00 N ATOM 553 CA LEU A 34 0.028 4.258 4.511 1.00 0.00 C ATOM 554 C LEU A 34 -0.149 3.115 5.503 1.00 0.00 C ATOM 555 O LEU A 34 -1.274 2.787 5.878 1.00 0.00 O ATOM 556 CB LEU A 34 0.304 3.727 3.099 1.00 0.00 C ATOM 557 CG LEU A 34 -0.583 4.444 2.071 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.214 4.803 0.829 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.753 3.568 1.644 1.00 0.00 C ATOM 0 H LEU A 34 1.921 5.106 4.268 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.900 4.830 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.354 3.875 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.116 2.654 3.065 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.958 5.348 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.434 5.310 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.037 5.462 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.612 3.895 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.362 4.104 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.375 2.650 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.361 3.323 2.515 1.00 0.00 H new ATOM 571 N GLU A 35 0.959 2.537 5.954 1.00 0.00 N ATOM 572 CA GLU A 35 0.963 1.472 6.948 1.00 0.00 C ATOM 573 C GLU A 35 0.458 1.991 8.299 1.00 0.00 C ATOM 574 O GLU A 35 -0.315 1.311 8.969 1.00 0.00 O ATOM 575 CB GLU A 35 2.324 0.755 6.993 1.00 0.00 C ATOM 576 CG GLU A 35 2.324 -0.373 5.940 1.00 0.00 C ATOM 577 CD GLU A 35 3.655 -1.099 5.771 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.384 -1.347 6.763 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.965 -1.534 4.639 1.00 0.00 O ATOM 0 H GLU A 35 1.892 2.799 5.635 1.00 0.00 H new ATOM 0 HA GLU A 35 0.254 0.697 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.130 1.461 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.502 0.344 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.561 -1.103 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.033 0.049 4.978 1.00 0.00 H new ATOM 586 N ASN A 36 0.736 3.246 8.655 1.00 0.00 N ATOM 587 CA ASN A 36 0.146 3.929 9.788 1.00 0.00 C ATOM 588 C ASN A 36 -1.332 4.286 9.581 1.00 0.00 C ATOM 589 O ASN A 36 -1.967 4.810 10.498 1.00 0.00 O ATOM 590 CB ASN A 36 0.961 5.206 9.993 1.00 0.00 C ATOM 591 CG ASN A 36 2.240 4.974 10.778 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.352 4.069 11.597 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.239 5.805 10.560 1.00 0.00 N ATOM 0 H ASN A 36 1.400 3.826 8.141 1.00 0.00 H new ATOM 0 HA ASN A 36 0.171 3.269 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.210 5.631 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.349 5.941 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.113 5.698 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.138 6.556 9.877 1.00 0.00 H new ATOM 600 N GLY A 37 -1.899 4.074 8.388 1.00 0.00 N ATOM 601 CA GLY A 37 -3.233 4.550 8.039 1.00 0.00 C ATOM 602 C GLY A 37 -3.331 6.074 8.012 1.00 0.00 C ATOM 603 O GLY A 37 -4.436 6.612 8.040 1.00 0.00 O ATOM 0 H GLY A 37 -1.438 3.563 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.510 4.156 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.953 4.157 8.757 1.00 0.00 H new ATOM 607 N LYS A 38 -2.201 6.779 7.955 1.00 0.00 N ATOM 608 CA LYS A 38 -2.140 8.225 8.006 1.00 0.00 C ATOM 609 C LYS A 38 -2.630 8.752 6.660 1.00 0.00 C ATOM 610 O LYS A 38 -3.416 9.693 6.648 1.00 0.00 O ATOM 611 CB LYS A 38 -0.683 8.653 8.268 1.00 0.00 C ATOM 612 CG LYS A 38 -0.420 9.100 9.712 1.00 0.00 C ATOM 613 CD LYS A 38 1.082 9.313 9.962 1.00 0.00 C ATOM 614 CE LYS A 38 1.716 10.398 9.080 1.00 0.00 C ATOM 615 NZ LYS A 38 1.151 11.731 9.358 1.00 0.00 N ATOM 0 H LYS A 38 -1.284 6.341 7.870 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.763 8.627 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.021 7.821 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.427 9.469 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.960 10.025 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.804 8.350 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.231 9.578 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.605 8.371 9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.793 10.418 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.561 10.149 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.617 12.438 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.130 11.724 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.307 11.972 10.358 1.00 0.00 H new ATOM 629 N ALA A 39 -2.215 8.160 5.534 1.00 0.00 N ATOM 630 CA ALA A 39 -2.763 8.484 4.226 1.00 0.00 C ATOM 631 C ALA A 39 -3.992 7.601 4.003 1.00 0.00 C ATOM 632 O ALA A 39 -3.855 6.429 3.649 1.00 0.00 O ATOM 633 CB ALA A 39 -1.681 8.275 3.165 1.00 0.00 C ATOM 0 H ALA A 39 -1.489 7.444 5.512 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.075 9.526 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.084 8.516 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.832 8.925 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.354 7.235 3.178 1.00 0.00 H new ATOM 639 N LYS A 40 -5.188 8.140 4.254 1.00 0.00 N ATOM 640 CA LYS A 40 -6.453 7.407 4.236 1.00 0.00 C ATOM 641 C LYS A 40 -6.770 6.945 2.821 1.00 0.00 C ATOM 642 O LYS A 40 -6.904 5.745 2.601 1.00 0.00 O ATOM 643 CB LYS A 40 -7.552 8.281 4.860 1.00 0.00 C ATOM 644 CG LYS A 40 -8.848 7.550 5.234 1.00 0.00 C ATOM 645 CD LYS A 40 -9.778 7.275 4.049 1.00 0.00 C ATOM 646 CE LYS A 40 -11.193 7.093 4.611 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.159 6.568 3.626 1.00 0.00 N ATOM 0 H LYS A 40 -5.304 9.127 4.482 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.384 6.502 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.150 8.753 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.796 9.081 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.593 6.603 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.386 8.143 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.750 8.102 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.461 6.382 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.152 6.415 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.553 8.052 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.093 6.470 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.227 7.225 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.839 5.638 3.287 1.00 0.00 H new ATOM 661 N ARG A 41 -6.851 7.847 1.841 1.00 0.00 N ATOM 662 CA ARG A 41 -6.772 7.506 0.433 1.00 0.00 C ATOM 663 C ARG A 41 -5.599 8.280 -0.162 1.00 0.00 C ATOM 664 O ARG A 41 -5.677 9.512 -0.230 1.00 0.00 O ATOM 665 CB ARG A 41 -8.098 7.679 -0.329 1.00 0.00 C ATOM 666 CG ARG A 41 -9.379 8.022 0.441 1.00 0.00 C ATOM 667 CD ARG A 41 -9.493 9.501 0.825 1.00 0.00 C ATOM 668 NE ARG A 41 -9.818 10.311 -0.355 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.262 11.446 -0.782 1.00 0.00 C ATOM 670 NH1 ARG A 41 -8.242 12.012 -0.145 1.00 0.00 N ATOM 671 NH2 ARG A 41 -9.764 12.000 -1.874 1.00 0.00 N ATOM 0 H ARG A 41 -6.975 8.845 2.013 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.588 6.437 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.946 8.461 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.284 6.753 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.241 7.746 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.420 7.417 1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.264 9.628 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.555 9.843 1.262 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.579 9.954 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.862 11.578 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.839 12.880 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.547 11.559 -2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.368 12.868 -2.234 1.00 0.00 H new ATOM 685 N PRO A 42 -4.491 7.617 -0.522 1.00 0.00 N ATOM 686 CA PRO A 42 -3.381 8.276 -1.195 1.00 0.00 C ATOM 687 C PRO A 42 -3.800 8.644 -2.626 1.00 0.00 C ATOM 688 O PRO A 42 -4.683 8.004 -3.206 1.00 0.00 O ATOM 689 CB PRO A 42 -2.257 7.239 -1.178 1.00 0.00 C ATOM 690 CG PRO A 42 -3.012 5.919 -1.299 1.00 0.00 C ATOM 691 CD PRO A 42 -4.313 6.172 -0.537 1.00 0.00 C ATOM 0 HA PRO A 42 -3.068 9.204 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.561 7.384 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.675 7.289 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.202 5.661 -2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.448 5.094 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.154 5.680 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.256 5.775 0.476 1.00 0.00 H new ATOM 699 N ARG A 43 -3.131 9.620 -3.246 1.00 0.00 N ATOM 700 CA ARG A 43 -3.379 9.950 -4.651 1.00 0.00 C ATOM 701 C ARG A 43 -3.049 8.744 -5.527 1.00 0.00 C ATOM 702 O ARG A 43 -3.777 8.450 -6.469 1.00 0.00 O ATOM 703 CB ARG A 43 -2.635 11.242 -5.063 1.00 0.00 C ATOM 704 CG ARG A 43 -1.131 11.124 -5.389 1.00 0.00 C ATOM 705 CD ARG A 43 -0.893 10.768 -6.865 1.00 0.00 C ATOM 706 NE ARG A 43 0.532 10.584 -7.173 1.00 0.00 N ATOM 707 CZ ARG A 43 1.051 9.699 -8.033 1.00 0.00 C ATOM 708 NH1 ARG A 43 0.252 8.967 -8.801 1.00 0.00 N ATOM 709 NH2 ARG A 43 2.366 9.554 -8.102 1.00 0.00 N ATOM 0 H ARG A 43 -2.416 10.193 -2.798 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.437 10.170 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.137 11.655 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.749 11.967 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.634 12.066 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.680 10.361 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.436 9.854 -7.108 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.300 11.558 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 43 1.190 11.190 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.760 9.078 -8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.650 8.293 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.973 10.114 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.772 8.882 -8.754 1.00 0.00 H new ATOM 723 N PHE A 44 -1.994 8.008 -5.183 1.00 0.00 N ATOM 724 CA PHE A 44 -1.450 6.929 -5.992 1.00 0.00 C ATOM 725 C PHE A 44 -2.098 5.566 -5.701 1.00 0.00 C ATOM 726 O PHE A 44 -1.583 4.544 -6.148 1.00 0.00 O ATOM 727 CB PHE A 44 0.071 6.907 -5.808 1.00 0.00 C ATOM 728 CG PHE A 44 0.556 6.477 -4.439 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.762 7.412 -3.406 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.858 5.125 -4.220 1.00 0.00 C ATOM 731 CE1 PHE A 44 1.233 6.981 -2.152 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.342 4.694 -2.975 1.00 0.00 C ATOM 733 CZ PHE A 44 1.523 5.621 -1.940 1.00 0.00 C ATOM 0 H PHE A 44 -1.484 8.152 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.688 7.121 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.500 6.237 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.459 7.904 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.559 8.459 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.717 4.409 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.372 7.694 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.574 3.651 -2.815 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.886 5.291 -0.978 1.00 0.00 H new ATOM 743 N LEU A 45 -3.222 5.514 -4.970 1.00 0.00 N ATOM 744 CA LEU A 45 -3.912 4.271 -4.596 1.00 0.00 C ATOM 745 C LEU A 45 -4.038 3.262 -5.756 1.00 0.00 C ATOM 746 O LEU A 45 -3.704 2.103 -5.521 1.00 0.00 O ATOM 747 CB LEU A 45 -5.280 4.579 -3.946 1.00 0.00 C ATOM 748 CG LEU A 45 -5.723 3.675 -2.770 1.00 0.00 C ATOM 749 CD1 LEU A 45 -7.075 4.171 -2.240 1.00 0.00 C ATOM 750 CD2 LEU A 45 -5.817 2.213 -3.115 1.00 0.00 C ATOM 0 H LEU A 45 -3.685 6.351 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.283 3.777 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.261 5.610 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.043 4.522 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.946 3.751 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.395 3.540 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.975 5.200 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.817 4.126 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.133 1.651 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.544 2.074 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.842 1.853 -3.444 1.00 0.00 H new ATOM 762 N PRO A 46 -4.449 3.622 -6.992 1.00 0.00 N ATOM 763 CA PRO A 46 -4.545 2.644 -8.075 1.00 0.00 C ATOM 764 C PRO A 46 -3.190 2.106 -8.521 1.00 0.00 C ATOM 765 O PRO A 46 -3.106 0.928 -8.853 1.00 0.00 O ATOM 766 CB PRO A 46 -5.273 3.347 -9.221 1.00 0.00 C ATOM 767 CG PRO A 46 -4.887 4.804 -8.997 1.00 0.00 C ATOM 768 CD PRO A 46 -4.921 4.915 -7.476 1.00 0.00 C ATOM 0 HA PRO A 46 -5.088 1.763 -7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.946 2.984 -10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.352 3.199 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.900 5.030 -9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.590 5.489 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.282 5.725 -7.125 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.929 5.126 -7.118 1.00 0.00 H new ATOM 776 N GLU A 47 -2.136 2.921 -8.512 1.00 0.00 N ATOM 777 CA GLU A 47 -0.803 2.494 -8.896 1.00 0.00 C ATOM 778 C GLU A 47 -0.267 1.532 -7.846 1.00 0.00 C ATOM 779 O GLU A 47 0.281 0.484 -8.189 1.00 0.00 O ATOM 780 CB GLU A 47 0.129 3.699 -8.987 1.00 0.00 C ATOM 781 CG GLU A 47 -0.165 4.627 -10.167 1.00 0.00 C ATOM 782 CD GLU A 47 1.021 5.568 -10.350 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.166 6.537 -9.576 1.00 0.00 O ATOM 784 OE2 GLU A 47 1.883 5.298 -11.211 1.00 0.00 O ATOM 0 H GLU A 47 -2.190 3.901 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.851 2.003 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.057 4.271 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.157 3.345 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.331 4.046 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.076 5.197 -9.983 1.00 0.00 H new ATOM 791 N LEU A 48 -0.458 1.863 -6.563 1.00 0.00 N ATOM 792 CA LEU A 48 -0.084 0.986 -5.474 1.00 0.00 C ATOM 793 C LEU A 48 -0.839 -0.316 -5.646 1.00 0.00 C ATOM 794 O LEU A 48 -0.224 -1.370 -5.638 1.00 0.00 O ATOM 795 CB LEU A 48 -0.408 1.624 -4.128 1.00 0.00 C ATOM 796 CG LEU A 48 0.312 1.002 -2.910 1.00 0.00 C ATOM 797 CD1 LEU A 48 -0.398 1.470 -1.649 1.00 0.00 C ATOM 798 CD2 LEU A 48 0.377 -0.522 -2.824 1.00 0.00 C ATOM 0 H LEU A 48 -0.875 2.744 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 48 0.990 0.803 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.155 2.683 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.484 1.561 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 48 1.344 1.335 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.093 1.043 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.359 2.558 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.438 1.145 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.910 -0.813 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.634 -0.928 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.901 -0.914 -3.696 1.00 0.00 H new ATOM 810 N ALA A 49 -2.162 -0.260 -5.789 1.00 0.00 N ATOM 811 CA ALA A 49 -2.971 -1.462 -5.815 1.00 0.00 C ATOM 812 C ALA A 49 -2.596 -2.344 -6.998 1.00 0.00 C ATOM 813 O ALA A 49 -2.424 -3.544 -6.815 1.00 0.00 O ATOM 814 CB ALA A 49 -4.460 -1.099 -5.836 1.00 0.00 C ATOM 0 H ALA A 49 -2.690 0.607 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.775 -2.034 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.057 -2.011 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.707 -0.523 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.677 -0.504 -6.723 1.00 0.00 H new ATOM 820 N ARG A 50 -2.420 -1.762 -8.183 1.00 0.00 N ATOM 821 CA ARG A 50 -1.943 -2.443 -9.377 1.00 0.00 C ATOM 822 C ARG A 50 -0.611 -3.122 -9.083 1.00 0.00 C ATOM 823 O ARG A 50 -0.504 -4.331 -9.258 1.00 0.00 O ATOM 824 CB ARG A 50 -1.867 -1.394 -10.499 1.00 0.00 C ATOM 825 CG ARG A 50 -1.249 -1.862 -11.819 1.00 0.00 C ATOM 826 CD ARG A 50 -1.283 -0.682 -12.797 1.00 0.00 C ATOM 827 NE ARG A 50 -0.509 -0.941 -14.020 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.592 -0.213 -15.141 1.00 0.00 C ATOM 829 NH1 ARG A 50 -1.444 0.804 -15.223 1.00 0.00 N ATOM 830 NH2 ARG A 50 0.163 -0.504 -16.193 1.00 0.00 N ATOM 0 H ARG A 50 -2.613 -0.773 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.616 -3.238 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.876 -1.034 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.292 -0.543 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.224 -2.199 -11.663 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.805 -2.708 -12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.317 -0.466 -13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.889 0.206 -12.303 1.00 0.00 H new ATOM 0 HE ARG A 50 0.137 -1.731 -14.014 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.041 1.035 -14.429 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.501 1.354 -16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.814 -1.288 -16.152 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.092 0.057 -17.042 1.00 0.00 H new ATOM 844 N ALA A 51 0.389 -2.377 -8.610 1.00 0.00 N ATOM 845 CA ALA A 51 1.719 -2.920 -8.403 1.00 0.00 C ATOM 846 C ALA A 51 1.792 -3.872 -7.198 1.00 0.00 C ATOM 847 O ALA A 51 2.710 -4.692 -7.142 1.00 0.00 O ATOM 848 CB ALA A 51 2.732 -1.781 -8.271 1.00 0.00 C ATOM 0 H ALA A 51 0.295 -1.392 -8.364 1.00 0.00 H new ATOM 0 HA ALA A 51 1.968 -3.521 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.728 -2.196 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.726 -1.182 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.464 -1.153 -7.421 1.00 0.00 H new ATOM 854 N LEU A 52 0.891 -3.768 -6.209 1.00 0.00 N ATOM 855 CA LEU A 52 0.710 -4.775 -5.168 1.00 0.00 C ATOM 856 C LEU A 52 -0.055 -5.998 -5.675 1.00 0.00 C ATOM 857 O LEU A 52 0.044 -7.058 -5.061 1.00 0.00 O ATOM 858 CB LEU A 52 -0.009 -4.153 -3.973 1.00 0.00 C ATOM 859 CG LEU A 52 0.134 -4.930 -2.666 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.585 -5.257 -2.268 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.479 -4.090 -1.543 1.00 0.00 C ATOM 0 H LEU A 52 0.263 -2.970 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 52 1.697 -5.122 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.372 -3.143 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.069 -4.062 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.372 -5.883 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.589 -5.809 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.048 -5.863 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.147 -4.331 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.389 -4.625 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.047 -3.138 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.532 -3.908 -1.758 1.00 0.00 H new ATOM 873 N GLY A 53 -0.853 -5.853 -6.735 1.00 0.00 N ATOM 874 CA GLY A 53 -1.585 -6.911 -7.416 1.00 0.00 C ATOM 875 C GLY A 53 -2.997 -7.118 -6.878 1.00 0.00 C ATOM 876 O GLY A 53 -3.474 -8.251 -6.864 1.00 0.00 O ATOM 0 H GLY A 53 -1.011 -4.940 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.641 -6.677 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.029 -7.844 -7.324 1.00 0.00 H new ATOM 880 N VAL A 54 -3.648 -6.066 -6.384 1.00 0.00 N ATOM 881 CA VAL A 54 -4.986 -6.108 -5.793 1.00 0.00 C ATOM 882 C VAL A 54 -5.833 -4.963 -6.371 1.00 0.00 C ATOM 883 O VAL A 54 -5.324 -4.117 -7.118 1.00 0.00 O ATOM 884 CB VAL A 54 -4.881 -6.079 -4.247 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.015 -7.222 -3.696 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.312 -4.754 -3.720 1.00 0.00 C ATOM 0 H VAL A 54 -3.245 -5.129 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.492 -7.039 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.906 -6.198 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.974 -7.156 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.449 -8.179 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.007 -7.143 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.260 -4.788 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.312 -4.600 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.959 -3.932 -4.027 1.00 0.00 H new ATOM 896 N ALA A 55 -7.128 -4.917 -6.055 1.00 0.00 N ATOM 897 CA ALA A 55 -7.963 -3.767 -6.378 1.00 0.00 C ATOM 898 C ALA A 55 -7.694 -2.639 -5.373 1.00 0.00 C ATOM 899 O ALA A 55 -7.398 -2.901 -4.208 1.00 0.00 O ATOM 900 CB ALA A 55 -9.437 -4.189 -6.372 1.00 0.00 C ATOM 0 H ALA A 55 -7.620 -5.669 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.722 -3.395 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.062 -3.330 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.594 -4.972 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.704 -4.566 -5.385 1.00 0.00 H new ATOM 906 N VAL A 56 -7.903 -1.385 -5.774 1.00 0.00 N ATOM 907 CA VAL A 56 -8.121 -0.265 -4.852 1.00 0.00 C ATOM 908 C VAL A 56 -9.277 -0.625 -3.932 1.00 0.00 C ATOM 909 O VAL A 56 -9.228 -0.279 -2.764 1.00 0.00 O ATOM 910 CB VAL A 56 -8.486 0.978 -5.696 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.048 2.140 -4.865 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.320 1.424 -6.587 1.00 0.00 C ATOM 0 H VAL A 56 -7.926 -1.113 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.232 -0.059 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.300 0.663 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.282 2.978 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.954 1.816 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.307 2.452 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.617 2.300 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.461 1.674 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.052 0.616 -7.267 1.00 0.00 H new ATOM 922 N ASP A 57 -10.278 -1.357 -4.418 1.00 0.00 N ATOM 923 CA ASP A 57 -11.391 -1.819 -3.603 1.00 0.00 C ATOM 924 C ASP A 57 -10.908 -2.756 -2.504 1.00 0.00 C ATOM 925 O ASP A 57 -11.314 -2.632 -1.354 1.00 0.00 O ATOM 926 CB ASP A 57 -12.382 -2.555 -4.504 1.00 0.00 C ATOM 927 CG ASP A 57 -13.821 -2.386 -4.036 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.133 -2.698 -2.869 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.632 -1.907 -4.867 1.00 0.00 O ATOM 0 H ASP A 57 -10.336 -1.646 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.869 -0.960 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.288 -2.183 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.131 -3.616 -4.527 1.00 0.00 H new ATOM 934 N TRP A 58 -9.973 -3.658 -2.827 1.00 0.00 N ATOM 935 CA TRP A 58 -9.350 -4.495 -1.820 1.00 0.00 C ATOM 936 C TRP A 58 -8.587 -3.629 -0.836 1.00 0.00 C ATOM 937 O TRP A 58 -8.663 -3.864 0.364 1.00 0.00 O ATOM 938 CB TRP A 58 -8.394 -5.515 -2.427 1.00 0.00 C ATOM 939 CG TRP A 58 -7.856 -6.500 -1.438 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.423 -7.683 -1.142 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.654 -6.433 -0.613 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.718 -8.315 -0.147 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.604 -7.596 0.210 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.581 -5.526 -0.502 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.563 -7.830 1.117 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.493 -5.776 0.357 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.509 -6.909 1.193 1.00 0.00 C ATOM 0 H TRP A 58 -9.639 -3.819 -3.777 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.147 -5.040 -1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -8.910 -6.056 -3.221 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.561 -4.987 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.307 -8.080 -1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.987 -9.205 0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.593 -4.619 -1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.572 -8.706 1.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.650 -5.101 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.705 -7.069 1.896 1.00 0.00 H new ATOM 958 N LEU A 59 -7.847 -2.637 -1.328 1.00 0.00 N ATOM 959 CA LEU A 59 -7.117 -1.748 -0.457 1.00 0.00 C ATOM 960 C LEU A 59 -8.057 -1.002 0.481 1.00 0.00 C ATOM 961 O LEU A 59 -7.876 -1.076 1.695 1.00 0.00 O ATOM 962 CB LEU A 59 -6.139 -0.870 -1.251 1.00 0.00 C ATOM 963 CG LEU A 59 -4.731 -1.505 -1.323 1.00 0.00 C ATOM 964 CD1 LEU A 59 -3.766 -0.481 -1.901 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.130 -1.959 0.019 1.00 0.00 C ATOM 0 H LEU A 59 -7.744 -2.437 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.479 -2.333 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.522 -0.719 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.072 0.113 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.861 -2.399 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.767 -0.914 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.095 -0.194 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.743 0.400 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.143 -2.388 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.043 -1.102 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.778 -2.709 0.473 1.00 0.00 H new ATOM 977 N LEU A 60 -9.091 -0.359 -0.045 1.00 0.00 N ATOM 978 CA LEU A 60 -10.047 0.427 0.710 1.00 0.00 C ATOM 979 C LEU A 60 -10.822 -0.439 1.692 1.00 0.00 C ATOM 980 O LEU A 60 -10.976 -0.051 2.847 1.00 0.00 O ATOM 981 CB LEU A 60 -11.016 1.101 -0.271 1.00 0.00 C ATOM 982 CG LEU A 60 -10.444 2.363 -0.953 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.443 2.901 -1.982 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.097 3.483 0.040 1.00 0.00 C ATOM 0 H LEU A 60 -9.291 -0.373 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.508 1.179 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.297 0.381 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.928 1.371 0.262 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.517 2.057 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.031 3.791 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.632 2.139 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.378 3.156 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.700 4.341 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.995 3.780 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.349 3.124 0.747 1.00 0.00 H new ATOM 996 N ASN A 61 -11.317 -1.589 1.240 1.00 0.00 N ATOM 997 CA ASN A 61 -12.403 -2.323 1.885 1.00 0.00 C ATOM 998 C ASN A 61 -12.044 -3.748 2.306 1.00 0.00 C ATOM 999 O ASN A 61 -12.736 -4.311 3.152 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.607 -2.372 0.933 1.00 0.00 C ATOM 1001 CG ASN A 61 -13.999 -0.985 0.443 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.232 -0.078 1.241 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.021 -0.757 -0.854 1.00 0.00 N ATOM 0 H ASN A 61 -10.967 -2.046 0.398 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.630 -1.783 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.369 -3.005 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.455 -2.830 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.232 0.177 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.827 -1.515 -1.508 1.00 0.00 H new ATOM 1010 N GLY A 62 -10.988 -4.361 1.764 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.664 -5.753 2.055 1.00 0.00 C ATOM 1012 C GLY A 62 -11.652 -6.662 1.343 1.00 0.00 C ATOM 1013 O GLY A 62 -12.539 -7.256 1.954 1.00 0.00 O ATOM 0 H GLY A 62 -10.342 -3.908 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.648 -5.977 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.701 -5.929 3.130 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.525 -6.713 0.021 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.212 -7.638 -0.863 1.00 0.00 C ATOM 1019 C ALA A 63 -11.695 -9.060 -0.641 1.00 0.00 C ATOM 1020 O ALA A 63 -12.201 -9.774 0.225 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.009 -7.186 -2.309 1.00 0.00 C ATOM 0 H ALA A 63 -10.908 -6.077 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.280 -7.641 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.521 -7.875 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.416 -6.183 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.944 -7.177 -2.541 1.00 0.00 H new