USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 527 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 0 MET CE :methyl -172:sc= 0 (180deg=-0.0874) USER MOD Single : A 0 MET N :NH3+ -117:sc= 0.196 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.03 K(o=-1,f=-0.013) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 1.62 K(o=1.6,f=-0.2) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 0.478 (180deg=0.068) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 33 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.45) USER MOD Single : A 36 ASN : amide:sc= 0.623 K(o=0.62,f=-0.34) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= -0.0308 (180deg=-0.158) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0152 (180deg=-0.157) USER MOD Single : A 61 ASN : amide:sc= 0.00156 X(o=0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.346 -5.369 10.092 1.00 0.00 N ATOM 2 CA MET A 0 -8.134 -4.935 9.414 1.00 0.00 C ATOM 3 C MET A 0 -8.425 -3.575 8.768 1.00 0.00 C ATOM 4 O MET A 0 -9.586 -3.168 8.665 1.00 0.00 O ATOM 5 CB MET A 0 -7.730 -6.003 8.387 1.00 0.00 C ATOM 6 CG MET A 0 -6.310 -5.875 7.824 1.00 0.00 C ATOM 7 SD MET A 0 -5.886 -7.065 6.521 1.00 0.00 S ATOM 8 CE MET A 0 -5.936 -8.627 7.443 1.00 0.00 C ATOM 0 H1 MET A 0 -9.165 -5.442 11.114 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.105 -4.678 9.923 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.636 -6.298 9.725 1.00 0.00 H new ATOM 0 HA MET A 0 -7.297 -4.817 10.102 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.831 -6.984 8.851 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.435 -5.969 7.557 1.00 0.00 H new ATOM 0 HG2 MET A 0 -6.182 -4.867 7.429 1.00 0.00 H new ATOM 0 HG3 MET A 0 -5.600 -5.989 8.643 1.00 0.00 H new ATOM 0 HE1 MET A 0 -5.559 -9.433 6.814 1.00 0.00 H new ATOM 0 HE2 MET A 0 -5.315 -8.543 8.335 1.00 0.00 H new ATOM 0 HE3 MET A 0 -6.963 -8.844 7.735 1.00 0.00 H new ATOM 18 N LEU A 1 -7.389 -2.874 8.325 1.00 0.00 N ATOM 19 CA LEU A 1 -7.461 -1.614 7.580 1.00 0.00 C ATOM 20 C LEU A 1 -6.369 -1.631 6.514 1.00 0.00 C ATOM 21 O LEU A 1 -5.627 -2.609 6.397 1.00 0.00 O ATOM 22 CB LEU A 1 -7.284 -0.379 8.490 1.00 0.00 C ATOM 23 CG LEU A 1 -8.311 -0.228 9.624 1.00 0.00 C ATOM 24 CD1 LEU A 1 -7.865 0.871 10.589 1.00 0.00 C ATOM 25 CD2 LEU A 1 -9.719 0.104 9.110 1.00 0.00 C ATOM 0 H LEU A 1 -6.428 -3.179 8.480 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.451 -1.534 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -6.288 -0.416 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.324 0.515 7.868 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.360 -1.191 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.598 0.972 11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.896 0.610 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.783 1.816 10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.402 0.199 9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.693 1.043 8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.064 -0.694 8.453 1.00 0.00 H new ATOM 37 N MET A 2 -6.225 -0.527 5.776 1.00 0.00 N ATOM 38 CA MET A 2 -5.302 -0.400 4.652 1.00 0.00 C ATOM 39 C MET A 2 -3.897 -0.771 5.039 1.00 0.00 C ATOM 40 O MET A 2 -3.257 -1.520 4.319 1.00 0.00 O ATOM 41 CB MET A 2 -5.256 1.028 4.089 1.00 0.00 C ATOM 42 CG MET A 2 -6.152 1.210 2.877 1.00 0.00 C ATOM 43 SD MET A 2 -7.832 1.777 3.221 1.00 0.00 S ATOM 44 CE MET A 2 -7.518 3.559 3.353 1.00 0.00 C ATOM 0 H MET A 2 -6.762 0.323 5.950 1.00 0.00 H new ATOM 0 HA MET A 2 -5.683 -1.084 3.894 1.00 0.00 H new ATOM 0 HB2 MET A 2 -5.557 1.730 4.866 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.230 1.274 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 2 -5.679 1.923 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 2 -6.211 0.260 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.452 4.078 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.808 3.745 4.159 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.104 3.926 2.414 1.00 0.00 H new ATOM 54 N GLY A 3 -3.386 -0.159 6.088 1.00 0.00 N ATOM 55 CA GLY A 3 -2.012 -0.301 6.472 1.00 0.00 C ATOM 56 C GLY A 3 -1.643 -1.747 6.730 1.00 0.00 C ATOM 57 O GLY A 3 -0.720 -2.272 6.111 1.00 0.00 O ATOM 0 H GLY A 3 -3.925 0.455 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.372 0.102 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.824 0.287 7.370 1.00 0.00 H new ATOM 61 N GLU A 4 -2.402 -2.416 7.593 1.00 0.00 N ATOM 62 CA GLU A 4 -2.199 -3.830 7.866 1.00 0.00 C ATOM 63 C GLU A 4 -2.295 -4.652 6.587 1.00 0.00 C ATOM 64 O GLU A 4 -1.461 -5.524 6.360 1.00 0.00 O ATOM 65 CB GLU A 4 -3.262 -4.326 8.845 1.00 0.00 C ATOM 66 CG GLU A 4 -3.080 -3.801 10.264 1.00 0.00 C ATOM 67 CD GLU A 4 -4.294 -4.202 11.095 1.00 0.00 C ATOM 68 OE1 GLU A 4 -5.311 -3.472 11.058 1.00 0.00 O ATOM 69 OE2 GLU A 4 -4.228 -5.244 11.787 1.00 0.00 O ATOM 0 H GLU A 4 -3.169 -1.995 8.118 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.204 -3.950 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.246 -4.029 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.245 -5.416 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.170 -4.209 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.971 -2.717 10.254 1.00 0.00 H new ATOM 76 N ARG A 5 -3.292 -4.369 5.756 1.00 0.00 N ATOM 77 CA ARG A 5 -3.562 -5.034 4.491 1.00 0.00 C ATOM 78 C ARG A 5 -2.401 -4.875 3.503 1.00 0.00 C ATOM 79 O ARG A 5 -1.990 -5.837 2.851 1.00 0.00 O ATOM 80 CB ARG A 5 -4.894 -4.438 4.015 1.00 0.00 C ATOM 81 CG ARG A 5 -5.271 -4.773 2.586 1.00 0.00 C ATOM 82 CD ARG A 5 -6.777 -4.687 2.364 1.00 0.00 C ATOM 83 NE ARG A 5 -7.322 -3.354 2.660 1.00 0.00 N ATOM 84 CZ ARG A 5 -7.992 -2.917 3.732 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.289 -3.682 4.773 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.367 -1.651 3.755 1.00 0.00 N ATOM 0 H ARG A 5 -3.967 -3.632 5.959 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.648 -6.116 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.688 -4.787 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.847 -3.354 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.763 -4.089 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.925 -5.778 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.002 -4.945 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.275 -5.426 2.992 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.165 -2.654 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.004 -4.661 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.803 -3.291 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.144 -1.039 2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.880 -1.285 4.557 1.00 0.00 H new ATOM 100 N ILE A 6 -1.845 -3.671 3.402 1.00 0.00 N ATOM 101 CA ILE A 6 -0.659 -3.344 2.629 1.00 0.00 C ATOM 102 C ILE A 6 0.499 -4.162 3.178 1.00 0.00 C ATOM 103 O ILE A 6 1.163 -4.844 2.393 1.00 0.00 O ATOM 104 CB ILE A 6 -0.412 -1.817 2.673 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.408 -1.144 1.701 1.00 0.00 C ATOM 106 CG2 ILE A 6 1.037 -1.413 2.334 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.574 0.358 1.940 1.00 0.00 C ATOM 0 H ILE A 6 -2.232 -2.859 3.883 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.779 -3.600 1.576 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.571 -1.479 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.070 -1.306 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.380 -1.629 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.134 -0.329 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.720 -1.872 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.283 -1.752 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.287 0.764 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.942 0.527 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.612 0.855 1.816 1.00 0.00 H new ATOM 119 N ARG A 7 0.749 -4.114 4.495 1.00 0.00 N ATOM 120 CA ARG A 7 1.860 -4.859 5.074 1.00 0.00 C ATOM 121 C ARG A 7 1.711 -6.342 4.766 1.00 0.00 C ATOM 122 O ARG A 7 2.670 -6.963 4.328 1.00 0.00 O ATOM 123 CB ARG A 7 1.935 -4.671 6.590 1.00 0.00 C ATOM 124 CG ARG A 7 3.285 -5.170 7.138 1.00 0.00 C ATOM 125 CD ARG A 7 3.187 -5.865 8.495 1.00 0.00 C ATOM 126 NE ARG A 7 4.513 -5.889 9.125 1.00 0.00 N ATOM 127 CZ ARG A 7 5.244 -6.961 9.445 1.00 0.00 C ATOM 128 NH1 ARG A 7 4.767 -8.200 9.324 1.00 0.00 N ATOM 129 NH2 ARG A 7 6.482 -6.784 9.878 1.00 0.00 N ATOM 0 H ARG A 7 0.202 -3.574 5.165 1.00 0.00 H new ATOM 0 HA ARG A 7 2.778 -4.474 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.804 -3.617 6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.120 -5.214 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.724 -5.861 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.966 -4.323 7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.477 -5.340 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.813 -6.881 8.370 1.00 0.00 H new ATOM 0 HE ARG A 7 4.924 -4.982 9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.819 -8.350 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.350 -8.998 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.863 -5.842 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.055 -7.590 10.127 1.00 0.00 H new ATOM 143 N ALA A 8 0.509 -6.883 4.958 1.00 0.00 N ATOM 144 CA ALA A 8 0.179 -8.283 4.777 1.00 0.00 C ATOM 145 C ALA A 8 0.585 -8.711 3.377 1.00 0.00 C ATOM 146 O ALA A 8 1.383 -9.631 3.229 1.00 0.00 O ATOM 147 CB ALA A 8 -1.316 -8.503 5.034 1.00 0.00 C ATOM 0 H ALA A 8 -0.292 -6.327 5.257 1.00 0.00 H new ATOM 0 HA ALA A 8 0.725 -8.898 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.558 -9.557 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.557 -8.206 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.898 -7.903 4.334 1.00 0.00 H new ATOM 153 N ARG A 9 0.102 -8.018 2.340 1.00 0.00 N ATOM 154 CA ARG A 9 0.451 -8.365 0.967 1.00 0.00 C ATOM 155 C ARG A 9 1.952 -8.185 0.736 1.00 0.00 C ATOM 156 O ARG A 9 2.551 -9.031 0.080 1.00 0.00 O ATOM 157 CB ARG A 9 -0.392 -7.534 -0.005 1.00 0.00 C ATOM 158 CG ARG A 9 -0.609 -8.153 -1.396 1.00 0.00 C ATOM 159 CD ARG A 9 0.632 -8.618 -2.161 1.00 0.00 C ATOM 160 NE ARG A 9 0.240 -8.780 -3.552 1.00 0.00 N ATOM 161 CZ ARG A 9 0.006 -9.900 -4.250 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.430 -11.094 -3.845 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.691 -9.791 -5.373 1.00 0.00 N ATOM 0 H ARG A 9 -0.527 -7.220 2.429 1.00 0.00 H new ATOM 0 HA ARG A 9 0.227 -9.416 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.367 -7.355 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.084 -6.562 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.276 -9.008 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.130 -7.421 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.437 -7.888 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.006 -9.558 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 9 0.126 -7.911 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.954 -11.181 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.231 -11.923 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.028 -8.878 -5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.890 -10.620 -5.932 1.00 0.00 H new ATOM 177 N ARG A 10 2.579 -7.121 1.253 1.00 0.00 N ATOM 178 CA ARG A 10 4.024 -6.947 1.139 1.00 0.00 C ATOM 179 C ARG A 10 4.755 -8.183 1.663 1.00 0.00 C ATOM 180 O ARG A 10 5.597 -8.728 0.963 1.00 0.00 O ATOM 181 CB ARG A 10 4.479 -5.686 1.897 1.00 0.00 C ATOM 182 CG ARG A 10 5.556 -4.919 1.113 1.00 0.00 C ATOM 183 CD ARG A 10 5.759 -3.479 1.606 1.00 0.00 C ATOM 184 NE ARG A 10 5.434 -3.283 3.021 1.00 0.00 N ATOM 185 CZ ARG A 10 6.031 -3.866 4.070 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.046 -4.711 3.934 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.580 -3.619 5.277 1.00 0.00 N ATOM 0 H ARG A 10 2.104 -6.370 1.754 1.00 0.00 H new ATOM 0 HA ARG A 10 4.273 -6.821 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.622 -5.036 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.870 -5.968 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.501 -5.457 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.282 -4.899 0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.797 -3.191 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.142 -2.810 1.006 1.00 0.00 H new ATOM 0 HE ARG A 10 4.674 -2.635 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.400 -4.938 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.472 -5.133 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.786 -2.991 5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.023 -4.055 6.086 1.00 0.00 H new ATOM 201 N ILE A 11 4.429 -8.621 2.875 1.00 0.00 N ATOM 202 CA ILE A 11 5.036 -9.739 3.587 1.00 0.00 C ATOM 203 C ILE A 11 4.708 -11.069 2.897 1.00 0.00 C ATOM 204 O ILE A 11 5.562 -11.954 2.870 1.00 0.00 O ATOM 205 CB ILE A 11 4.590 -9.664 5.063 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.169 -8.408 5.764 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.945 -10.918 5.868 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.680 -8.412 6.033 1.00 0.00 C ATOM 0 H ILE A 11 3.689 -8.177 3.419 1.00 0.00 H new ATOM 0 HA ILE A 11 6.124 -9.678 3.566 1.00 0.00 H new ATOM 0 HB ILE A 11 3.503 -9.594 5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.933 -7.537 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.653 -8.279 6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.604 -10.799 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.459 -11.786 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.025 -11.062 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.964 -7.482 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.933 -9.255 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.217 -8.501 5.089 1.00 0.00 H new ATOM 220 N GLN A 12 3.525 -11.205 2.294 1.00 0.00 N ATOM 221 CA GLN A 12 3.149 -12.309 1.405 1.00 0.00 C ATOM 222 C GLN A 12 4.085 -12.436 0.197 1.00 0.00 C ATOM 223 O GLN A 12 4.128 -13.482 -0.446 1.00 0.00 O ATOM 224 CB GLN A 12 1.713 -12.068 0.901 1.00 0.00 C ATOM 225 CG GLN A 12 0.928 -13.312 0.445 1.00 0.00 C ATOM 226 CD GLN A 12 -0.343 -12.997 -0.366 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.136 -13.881 -0.676 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.582 -11.763 -0.791 1.00 0.00 N ATOM 0 H GLN A 12 2.774 -10.525 2.415 1.00 0.00 H new ATOM 0 HA GLN A 12 3.222 -13.235 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.149 -11.581 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.757 -11.367 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.584 -13.940 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.649 -13.894 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.059 -11.007 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.407 -11.570 -1.359 1.00 0.00 H new ATOM 237 N LEU A 13 4.773 -11.356 -0.166 1.00 0.00 N ATOM 238 CA LEU A 13 5.806 -11.295 -1.202 1.00 0.00 C ATOM 239 C LEU A 13 7.205 -11.203 -0.569 1.00 0.00 C ATOM 240 O LEU A 13 8.208 -11.135 -1.273 1.00 0.00 O ATOM 241 CB LEU A 13 5.483 -10.141 -2.172 1.00 0.00 C ATOM 242 CG LEU A 13 6.275 -10.138 -3.498 1.00 0.00 C ATOM 243 CD1 LEU A 13 6.123 -11.438 -4.299 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.772 -8.975 -4.364 1.00 0.00 C ATOM 0 H LEU A 13 4.618 -10.451 0.277 1.00 0.00 H new ATOM 0 HA LEU A 13 5.813 -12.213 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.419 -10.175 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.667 -9.197 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 13 7.330 -10.035 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.704 -11.369 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.484 -12.277 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.072 -11.593 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.321 -8.958 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.709 -9.105 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.928 -8.034 -3.836 1.00 0.00 H new ATOM 256 N GLY A 14 7.287 -11.123 0.762 1.00 0.00 N ATOM 257 CA GLY A 14 8.513 -10.933 1.529 1.00 0.00 C ATOM 258 C GLY A 14 9.149 -9.554 1.349 1.00 0.00 C ATOM 259 O GLY A 14 10.294 -9.357 1.770 1.00 0.00 O ATOM 0 H GLY A 14 6.462 -11.192 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.296 -11.087 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.235 -11.696 1.237 1.00 0.00 H new ATOM 263 N LEU A 15 8.445 -8.593 0.742 1.00 0.00 N ATOM 264 CA LEU A 15 9.089 -7.384 0.237 1.00 0.00 C ATOM 265 C LEU A 15 9.214 -6.416 1.416 1.00 0.00 C ATOM 266 O LEU A 15 8.458 -6.499 2.384 1.00 0.00 O ATOM 267 CB LEU A 15 8.174 -6.712 -0.819 1.00 0.00 C ATOM 268 CG LEU A 15 8.551 -6.887 -2.302 1.00 0.00 C ATOM 269 CD1 LEU A 15 7.827 -5.810 -3.125 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.051 -6.833 -2.581 1.00 0.00 C ATOM 0 H LEU A 15 7.437 -8.631 0.591 1.00 0.00 H new ATOM 0 HA LEU A 15 10.055 -7.626 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.163 -7.096 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.141 -5.644 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 15 8.236 -7.890 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.085 -5.922 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.750 -5.921 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.132 -4.822 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.228 -6.965 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.445 -5.867 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.553 -7.628 -2.029 1.00 0.00 H new ATOM 282 N ASN A 16 10.061 -5.395 1.279 1.00 0.00 N ATOM 283 CA ASN A 16 10.219 -4.333 2.277 1.00 0.00 C ATOM 284 C ASN A 16 9.460 -3.091 1.814 1.00 0.00 C ATOM 285 O ASN A 16 9.044 -3.017 0.654 1.00 0.00 O ATOM 286 CB ASN A 16 11.702 -4.013 2.496 1.00 0.00 C ATOM 287 CG ASN A 16 12.484 -5.228 2.964 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.207 -5.762 4.033 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.415 -5.731 2.175 1.00 0.00 N ATOM 0 H ASN A 16 10.663 -5.280 0.464 1.00 0.00 H new ATOM 0 HA ASN A 16 9.808 -4.670 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.133 -3.640 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.796 -3.216 3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.916 -6.576 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.634 -5.275 1.289 1.00 0.00 H new ATOM 296 N GLN A 17 9.265 -2.112 2.701 1.00 0.00 N ATOM 297 CA GLN A 17 8.544 -0.882 2.407 1.00 0.00 C ATOM 298 C GLN A 17 9.120 -0.153 1.201 1.00 0.00 C ATOM 299 O GLN A 17 8.374 0.148 0.274 1.00 0.00 O ATOM 300 CB GLN A 17 8.566 0.032 3.636 1.00 0.00 C ATOM 301 CG GLN A 17 7.825 -0.611 4.804 1.00 0.00 C ATOM 302 CD GLN A 17 7.773 0.292 6.026 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.709 1.020 6.352 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.679 0.187 6.746 1.00 0.00 N ATOM 0 H GLN A 17 9.612 -2.158 3.659 1.00 0.00 H new ATOM 0 HA GLN A 17 7.516 -1.149 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.597 0.238 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.106 0.989 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.809 -0.858 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.314 -1.548 5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.925 -0.428 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.584 0.721 7.610 1.00 0.00 H new ATOM 313 N ALA A 18 10.421 0.131 1.208 1.00 0.00 N ATOM 314 CA ALA A 18 11.085 0.882 0.162 1.00 0.00 C ATOM 315 C ALA A 18 10.999 0.126 -1.155 1.00 0.00 C ATOM 316 O ALA A 18 10.821 0.742 -2.195 1.00 0.00 O ATOM 317 CB ALA A 18 12.544 1.156 0.527 1.00 0.00 C ATOM 0 H ALA A 18 11.048 -0.163 1.957 1.00 0.00 H new ATOM 0 HA ALA A 18 10.580 1.842 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.020 1.721 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.586 1.732 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.068 0.210 0.665 1.00 0.00 H new ATOM 323 N GLU A 19 11.071 -1.204 -1.132 1.00 0.00 N ATOM 324 CA GLU A 19 11.017 -1.996 -2.341 1.00 0.00 C ATOM 325 C GLU A 19 9.654 -1.913 -3.007 1.00 0.00 C ATOM 326 O GLU A 19 9.584 -1.793 -4.232 1.00 0.00 O ATOM 327 CB GLU A 19 11.306 -3.442 -1.958 1.00 0.00 C ATOM 328 CG GLU A 19 12.684 -3.596 -1.315 1.00 0.00 C ATOM 329 CD GLU A 19 13.780 -3.795 -2.359 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.682 -3.227 -3.470 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.730 -4.563 -2.079 1.00 0.00 O ATOM 0 H GLU A 19 11.168 -1.752 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 19 11.751 -1.616 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.541 -3.794 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.247 -4.072 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.907 -2.712 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.673 -4.446 -0.633 1.00 0.00 H new ATOM 338 N LEU A 20 8.581 -1.964 -2.207 1.00 0.00 N ATOM 339 CA LEU A 20 7.243 -1.663 -2.693 1.00 0.00 C ATOM 340 C LEU A 20 7.240 -0.233 -3.228 1.00 0.00 C ATOM 341 O LEU A 20 6.791 -0.002 -4.346 1.00 0.00 O ATOM 342 CB LEU A 20 6.191 -1.870 -1.581 1.00 0.00 C ATOM 343 CG LEU A 20 4.746 -1.566 -2.041 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.274 -2.560 -3.107 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.748 -1.640 -0.880 1.00 0.00 C ATOM 0 H LEU A 20 8.622 -2.212 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 20 6.972 -2.345 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.243 -2.900 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.437 -1.230 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 20 4.774 -0.555 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.255 -2.316 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.931 -2.502 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.300 -3.570 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.746 -1.420 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.765 -2.641 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.023 -0.912 -0.117 1.00 0.00 H new ATOM 357 N ALA A 21 7.746 0.715 -2.441 1.00 0.00 N ATOM 358 CA ALA A 21 7.717 2.128 -2.757 1.00 0.00 C ATOM 359 C ALA A 21 8.354 2.425 -4.115 1.00 0.00 C ATOM 360 O ALA A 21 7.704 3.079 -4.932 1.00 0.00 O ATOM 361 CB ALA A 21 8.366 2.936 -1.635 1.00 0.00 C ATOM 0 H ALA A 21 8.195 0.510 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 21 6.674 2.434 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.337 3.996 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.823 2.769 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.402 2.621 -1.512 1.00 0.00 H new ATOM 367 N GLN A 22 9.565 1.909 -4.379 1.00 0.00 N ATOM 368 CA GLN A 22 10.309 2.156 -5.610 1.00 0.00 C ATOM 369 C GLN A 22 9.450 1.789 -6.812 1.00 0.00 C ATOM 370 O GLN A 22 9.264 2.606 -7.716 1.00 0.00 O ATOM 371 CB GLN A 22 11.606 1.324 -5.678 1.00 0.00 C ATOM 372 CG GLN A 22 12.762 1.808 -4.795 1.00 0.00 C ATOM 373 CD GLN A 22 14.090 1.276 -5.339 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.293 0.070 -5.490 1.00 0.00 O ATOM 375 NE2 GLN A 22 15.019 2.160 -5.664 1.00 0.00 N ATOM 0 H GLN A 22 10.057 1.298 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 22 10.569 3.215 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.370 0.296 -5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.948 1.305 -6.713 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.780 2.898 -4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.616 1.467 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.842 3.156 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.912 1.845 -6.043 1.00 0.00 H new ATOM 384 N LYS A 23 8.945 0.550 -6.812 1.00 0.00 N ATOM 385 CA LYS A 23 8.269 -0.041 -7.944 1.00 0.00 C ATOM 386 C LYS A 23 6.958 0.685 -8.224 1.00 0.00 C ATOM 387 O LYS A 23 6.524 0.732 -9.372 1.00 0.00 O ATOM 388 CB LYS A 23 8.103 -1.549 -7.668 1.00 0.00 C ATOM 389 CG LYS A 23 6.681 -1.952 -7.266 1.00 0.00 C ATOM 390 CD LYS A 23 6.576 -3.412 -6.862 1.00 0.00 C ATOM 391 CE LYS A 23 5.096 -3.689 -6.610 1.00 0.00 C ATOM 392 NZ LYS A 23 4.885 -5.083 -6.166 1.00 0.00 N ATOM 0 H LYS A 23 9.002 -0.071 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 23 8.855 0.068 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.390 -2.106 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.791 -1.841 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.351 -1.326 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.005 -1.761 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.963 -4.060 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.165 -3.610 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.718 -3.002 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.528 -3.504 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.961 -5.419 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.637 -5.688 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.908 -5.124 -5.127 1.00 0.00 H new ATOM 406 N VAL A 24 6.282 1.186 -7.185 1.00 0.00 N ATOM 407 CA VAL A 24 5.041 1.910 -7.357 1.00 0.00 C ATOM 408 C VAL A 24 5.389 3.296 -7.902 1.00 0.00 C ATOM 409 O VAL A 24 4.806 3.714 -8.899 1.00 0.00 O ATOM 410 CB VAL A 24 4.275 1.993 -6.024 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.910 2.616 -6.290 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.001 0.651 -5.315 1.00 0.00 C ATOM 0 H VAL A 24 6.585 1.097 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 24 4.384 1.396 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 24 4.924 2.574 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.352 2.683 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.041 3.615 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.359 1.997 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.457 0.833 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.405 0.011 -5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.947 0.159 -5.089 1.00 0.00 H new ATOM 422 N GLY A 25 6.330 3.991 -7.256 1.00 0.00 N ATOM 423 CA GLY A 25 6.722 5.352 -7.573 1.00 0.00 C ATOM 424 C GLY A 25 6.746 6.278 -6.357 1.00 0.00 C ATOM 425 O GLY A 25 6.940 7.484 -6.532 1.00 0.00 O ATOM 0 H GLY A 25 6.853 3.601 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.711 5.340 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.033 5.757 -8.315 1.00 0.00 H new ATOM 429 N VAL A 26 6.535 5.777 -5.143 1.00 0.00 N ATOM 430 CA VAL A 26 6.305 6.560 -3.940 1.00 0.00 C ATOM 431 C VAL A 26 7.557 6.544 -3.043 1.00 0.00 C ATOM 432 O VAL A 26 8.581 5.958 -3.402 1.00 0.00 O ATOM 433 CB VAL A 26 5.002 6.053 -3.287 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.830 6.049 -4.286 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.063 4.651 -2.672 1.00 0.00 C ATOM 0 H VAL A 26 6.520 4.772 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 26 6.152 7.618 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 26 4.853 6.766 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.930 5.686 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.660 7.062 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.070 5.396 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.093 4.399 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.317 3.925 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.822 4.629 -1.890 1.00 0.00 H new ATOM 445 N ASP A 27 7.531 7.224 -1.897 1.00 0.00 N ATOM 446 CA ASP A 27 8.558 7.160 -0.875 1.00 0.00 C ATOM 447 C ASP A 27 8.337 5.932 0.014 1.00 0.00 C ATOM 448 O ASP A 27 7.199 5.489 0.187 1.00 0.00 O ATOM 449 CB ASP A 27 8.565 8.444 -0.034 1.00 0.00 C ATOM 450 CG ASP A 27 7.686 9.618 -0.470 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.446 9.516 -0.351 1.00 0.00 O ATOM 452 OD2 ASP A 27 8.221 10.653 -0.935 1.00 0.00 O ATOM 0 H ASP A 27 6.766 7.853 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 27 9.530 7.069 -1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.275 8.174 0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.594 8.802 0.013 1.00 0.00 H new ATOM 457 N GLN A 28 9.394 5.413 0.654 1.00 0.00 N ATOM 458 CA GLN A 28 9.273 4.388 1.699 1.00 0.00 C ATOM 459 C GLN A 28 8.332 4.909 2.788 1.00 0.00 C ATOM 460 O GLN A 28 7.464 4.188 3.279 1.00 0.00 O ATOM 461 CB GLN A 28 10.659 4.075 2.296 1.00 0.00 C ATOM 462 CG GLN A 28 10.635 2.999 3.393 1.00 0.00 C ATOM 463 CD GLN A 28 11.786 3.183 4.375 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.953 3.001 4.035 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.491 3.587 5.597 1.00 0.00 N ATOM 0 H GLN A 28 10.356 5.692 0.462 1.00 0.00 H new ATOM 0 HA GLN A 28 8.869 3.469 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.324 3.749 1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.082 4.991 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.687 3.044 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.697 2.011 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.518 3.734 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.236 3.752 6.273 1.00 0.00 H new ATOM 474 N GLN A 29 8.497 6.181 3.135 1.00 0.00 N ATOM 475 CA GLN A 29 7.686 6.903 4.088 1.00 0.00 C ATOM 476 C GLN A 29 6.205 6.810 3.725 1.00 0.00 C ATOM 477 O GLN A 29 5.382 6.618 4.615 1.00 0.00 O ATOM 478 CB GLN A 29 8.188 8.346 4.176 1.00 0.00 C ATOM 479 CG GLN A 29 7.977 8.980 5.558 1.00 0.00 C ATOM 480 CD GLN A 29 9.167 9.871 5.910 1.00 0.00 C ATOM 481 OE1 GLN A 29 10.291 9.392 6.049 1.00 0.00 O ATOM 482 NE2 GLN A 29 8.976 11.171 6.044 1.00 0.00 N ATOM 0 H GLN A 29 9.238 6.757 2.736 1.00 0.00 H new ATOM 0 HA GLN A 29 7.780 6.453 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.250 8.369 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.675 8.948 3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.059 9.567 5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.860 8.201 6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.042 11.564 5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.763 11.782 6.264 1.00 0.00 H new ATOM 491 N ALA A 30 5.845 6.963 2.442 1.00 0.00 N ATOM 492 CA ALA A 30 4.459 6.835 2.014 1.00 0.00 C ATOM 493 C ALA A 30 3.883 5.446 2.294 1.00 0.00 C ATOM 494 O ALA A 30 2.690 5.354 2.575 1.00 0.00 O ATOM 495 CB ALA A 30 4.279 7.204 0.541 1.00 0.00 C ATOM 0 H ALA A 30 6.500 7.175 1.689 1.00 0.00 H new ATOM 0 HA ALA A 30 3.895 7.549 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.231 7.094 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.590 8.237 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.888 6.544 -0.076 1.00 0.00 H new ATOM 501 N ILE A 31 4.690 4.381 2.240 1.00 0.00 N ATOM 502 CA ILE A 31 4.261 3.040 2.625 1.00 0.00 C ATOM 503 C ILE A 31 4.100 2.972 4.148 1.00 0.00 C ATOM 504 O ILE A 31 3.077 2.484 4.617 1.00 0.00 O ATOM 505 CB ILE A 31 5.242 1.980 2.062 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.410 2.086 0.532 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.834 0.548 2.457 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.114 2.088 -0.281 1.00 0.00 C ATOM 0 H ILE A 31 5.660 4.429 1.927 1.00 0.00 H new ATOM 0 HA ILE A 31 3.287 2.814 2.191 1.00 0.00 H new ATOM 0 HB ILE A 31 6.208 2.197 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.959 3.001 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.027 1.253 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.549 -0.162 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.824 0.459 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.840 0.332 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.350 2.166 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.568 1.162 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.499 2.937 0.017 1.00 0.00 H new ATOM 520 N GLU A 32 5.059 3.482 4.923 1.00 0.00 N ATOM 521 CA GLU A 32 5.013 3.434 6.387 1.00 0.00 C ATOM 522 C GLU A 32 3.812 4.209 6.927 1.00 0.00 C ATOM 523 O GLU A 32 3.076 3.723 7.784 1.00 0.00 O ATOM 524 CB GLU A 32 6.328 3.987 6.955 1.00 0.00 C ATOM 525 CG GLU A 32 6.322 4.249 8.476 1.00 0.00 C ATOM 526 CD GLU A 32 5.990 3.037 9.354 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.092 1.882 8.882 1.00 0.00 O ATOM 528 OE2 GLU A 32 5.693 3.251 10.556 1.00 0.00 O ATOM 0 H GLU A 32 5.891 3.941 4.553 1.00 0.00 H new ATOM 0 HA GLU A 32 4.896 2.398 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.129 3.285 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.565 4.919 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.302 4.628 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.600 5.038 8.688 1.00 0.00 H new ATOM 535 N GLN A 33 3.591 5.423 6.431 1.00 0.00 N ATOM 536 CA GLN A 33 2.467 6.221 6.877 1.00 0.00 C ATOM 537 C GLN A 33 1.162 5.522 6.478 1.00 0.00 C ATOM 538 O GLN A 33 0.198 5.539 7.236 1.00 0.00 O ATOM 539 CB GLN A 33 2.610 7.664 6.369 1.00 0.00 C ATOM 540 CG GLN A 33 2.192 7.846 4.911 1.00 0.00 C ATOM 541 CD GLN A 33 2.475 9.245 4.350 1.00 0.00 C ATOM 542 OE1 GLN A 33 2.978 10.142 5.027 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.138 9.458 3.089 1.00 0.00 N ATOM 0 H GLN A 33 4.175 5.869 5.724 1.00 0.00 H new ATOM 0 HA GLN A 33 2.446 6.303 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.007 8.322 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.647 7.979 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.713 7.109 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.126 7.639 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.722 8.707 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.294 10.373 2.667 1.00 0.00 H new ATOM 552 N LEU A 34 1.107 4.856 5.322 1.00 0.00 N ATOM 553 CA LEU A 34 -0.064 4.092 4.934 1.00 0.00 C ATOM 554 C LEU A 34 -0.285 2.938 5.905 1.00 0.00 C ATOM 555 O LEU A 34 -1.427 2.671 6.276 1.00 0.00 O ATOM 556 CB LEU A 34 0.123 3.535 3.520 1.00 0.00 C ATOM 557 CG LEU A 34 -0.720 4.323 2.519 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.292 3.991 1.094 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.221 4.048 2.656 1.00 0.00 C ATOM 0 H LEU A 34 1.867 4.835 4.641 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.933 4.750 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.175 3.586 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.162 2.483 3.496 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.550 5.377 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.900 4.559 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.758 4.252 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.427 2.925 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.767 4.636 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.413 2.988 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.552 4.324 3.657 1.00 0.00 H new ATOM 571 N GLU A 35 0.801 2.291 6.329 1.00 0.00 N ATOM 572 CA GLU A 35 0.806 1.240 7.340 1.00 0.00 C ATOM 573 C GLU A 35 0.196 1.745 8.655 1.00 0.00 C ATOM 574 O GLU A 35 -0.626 1.060 9.271 1.00 0.00 O ATOM 575 CB GLU A 35 2.189 0.586 7.464 1.00 0.00 C ATOM 576 CG GLU A 35 2.340 -0.528 6.411 1.00 0.00 C ATOM 577 CD GLU A 35 3.676 -1.237 6.538 1.00 0.00 C ATOM 578 OE1 GLU A 35 3.892 -1.932 7.553 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.490 -1.185 5.587 1.00 0.00 O ATOM 0 H GLU A 35 1.732 2.493 5.964 1.00 0.00 H new ATOM 0 HA GLU A 35 0.154 0.427 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.969 1.335 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.317 0.172 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.532 -1.250 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.247 -0.101 5.412 1.00 0.00 H new ATOM 586 N ASN A 36 0.486 2.987 9.039 1.00 0.00 N ATOM 587 CA ASN A 36 -0.075 3.670 10.178 1.00 0.00 C ATOM 588 C ASN A 36 -1.457 4.280 9.888 1.00 0.00 C ATOM 589 O ASN A 36 -2.010 4.986 10.731 1.00 0.00 O ATOM 590 CB ASN A 36 0.944 4.751 10.537 1.00 0.00 C ATOM 591 CG ASN A 36 2.292 4.181 10.963 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.387 3.076 11.494 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.364 4.911 10.721 1.00 0.00 N ATOM 0 H ASN A 36 1.155 3.565 8.530 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.249 2.974 10.999 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.088 5.406 9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.544 5.366 11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.288 4.561 10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.269 5.826 10.280 1.00 0.00 H new ATOM 600 N GLY A 37 -2.024 4.073 8.695 1.00 0.00 N ATOM 601 CA GLY A 37 -3.311 4.632 8.285 1.00 0.00 C ATOM 602 C GLY A 37 -3.310 6.155 8.168 1.00 0.00 C ATOM 603 O GLY A 37 -4.372 6.774 8.176 1.00 0.00 O ATOM 0 H GLY A 37 -1.589 3.499 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.594 4.203 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.073 4.332 9.004 1.00 0.00 H new ATOM 607 N LYS A 38 -2.139 6.786 8.073 1.00 0.00 N ATOM 608 CA LYS A 38 -1.991 8.231 8.132 1.00 0.00 C ATOM 609 C LYS A 38 -2.499 8.789 6.798 1.00 0.00 C ATOM 610 O LYS A 38 -3.184 9.810 6.784 1.00 0.00 O ATOM 611 CB LYS A 38 -0.493 8.542 8.304 1.00 0.00 C ATOM 612 CG LYS A 38 -0.095 8.936 9.726 1.00 0.00 C ATOM 613 CD LYS A 38 1.391 9.303 9.826 1.00 0.00 C ATOM 614 CE LYS A 38 1.790 10.643 9.193 1.00 0.00 C ATOM 615 NZ LYS A 38 1.026 11.776 9.752 1.00 0.00 N ATOM 0 H LYS A 38 -1.254 6.294 7.951 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.549 8.673 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.085 7.667 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.221 9.350 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.700 9.783 10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.311 8.111 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.672 9.322 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.974 8.512 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.855 10.813 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.630 10.596 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.441 12.671 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.037 11.717 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.061 11.739 10.791 1.00 0.00 H new ATOM 629 N ALA A 39 -2.172 8.142 5.671 1.00 0.00 N ATOM 630 CA ALA A 39 -2.613 8.549 4.348 1.00 0.00 C ATOM 631 C ALA A 39 -3.955 7.878 4.039 1.00 0.00 C ATOM 632 O ALA A 39 -3.990 6.801 3.443 1.00 0.00 O ATOM 633 CB ALA A 39 -1.524 8.156 3.350 1.00 0.00 C ATOM 0 H ALA A 39 -1.584 7.309 5.663 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.768 9.626 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.828 8.450 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.593 8.660 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.373 7.077 3.382 1.00 0.00 H new ATOM 639 N LYS A 40 -5.062 8.480 4.478 1.00 0.00 N ATOM 640 CA LYS A 40 -6.398 7.895 4.353 1.00 0.00 C ATOM 641 C LYS A 40 -6.881 7.721 2.911 1.00 0.00 C ATOM 642 O LYS A 40 -7.498 6.708 2.585 1.00 0.00 O ATOM 643 CB LYS A 40 -7.389 8.718 5.189 1.00 0.00 C ATOM 644 CG LYS A 40 -8.739 8.021 5.401 1.00 0.00 C ATOM 645 CD LYS A 40 -8.650 6.611 5.998 1.00 0.00 C ATOM 646 CE LYS A 40 -10.023 6.113 6.478 1.00 0.00 C ATOM 647 NZ LYS A 40 -10.568 6.865 7.633 1.00 0.00 N ATOM 0 H LYS A 40 -5.056 9.393 4.933 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.338 6.878 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.943 8.931 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.557 9.677 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.352 8.640 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.256 7.962 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.253 5.923 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.950 6.612 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.730 6.176 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.942 5.060 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.374 6.346 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.829 6.973 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.884 7.804 7.318 1.00 0.00 H new ATOM 661 N ARG A 41 -6.689 8.716 2.050 1.00 0.00 N ATOM 662 CA ARG A 41 -7.049 8.722 0.641 1.00 0.00 C ATOM 663 C ARG A 41 -5.789 9.166 -0.102 1.00 0.00 C ATOM 664 O ARG A 41 -5.608 10.361 -0.338 1.00 0.00 O ATOM 665 CB ARG A 41 -8.257 9.660 0.456 1.00 0.00 C ATOM 666 CG ARG A 41 -8.618 10.082 -0.978 1.00 0.00 C ATOM 667 CD ARG A 41 -8.870 8.923 -1.941 1.00 0.00 C ATOM 668 NE ARG A 41 -10.107 8.187 -1.646 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.656 7.272 -2.453 1.00 0.00 C ATOM 670 NH1 ARG A 41 -10.027 6.861 -3.553 1.00 0.00 N ATOM 671 NH2 ARG A 41 -11.844 6.773 -2.140 1.00 0.00 N ATOM 0 H ARG A 41 -6.251 9.591 2.338 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.360 7.754 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.129 9.174 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.072 10.564 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.509 10.709 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.811 10.697 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.918 9.309 -2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.026 8.234 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.580 8.388 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.112 7.245 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.460 6.163 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.323 7.088 -1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.279 6.074 -2.743 1.00 0.00 H new ATOM 685 N PRO A 42 -4.861 8.248 -0.405 1.00 0.00 N ATOM 686 CA PRO A 42 -3.663 8.598 -1.153 1.00 0.00 C ATOM 687 C PRO A 42 -4.015 8.837 -2.627 1.00 0.00 C ATOM 688 O PRO A 42 -4.868 8.144 -3.191 1.00 0.00 O ATOM 689 CB PRO A 42 -2.711 7.416 -0.962 1.00 0.00 C ATOM 690 CG PRO A 42 -3.633 6.229 -0.674 1.00 0.00 C ATOM 691 CD PRO A 42 -4.880 6.842 -0.033 1.00 0.00 C ATOM 0 HA PRO A 42 -3.199 9.522 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.107 7.244 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.020 7.592 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.883 5.692 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.157 5.513 -0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.786 6.354 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.862 6.723 1.050 1.00 0.00 H new ATOM 699 N ARG A 43 -3.312 9.773 -3.274 1.00 0.00 N ATOM 700 CA ARG A 43 -3.425 10.007 -4.717 1.00 0.00 C ATOM 701 C ARG A 43 -3.108 8.746 -5.511 1.00 0.00 C ATOM 702 O ARG A 43 -3.908 8.306 -6.328 1.00 0.00 O ATOM 703 CB ARG A 43 -2.547 11.183 -5.188 1.00 0.00 C ATOM 704 CG ARG A 43 -1.160 11.314 -4.525 1.00 0.00 C ATOM 705 CD ARG A 43 -0.236 12.140 -5.420 1.00 0.00 C ATOM 706 NE ARG A 43 0.985 12.570 -4.726 1.00 0.00 N ATOM 707 CZ ARG A 43 2.083 13.043 -5.330 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.141 13.129 -6.657 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.112 13.433 -4.595 1.00 0.00 N ATOM 0 H ARG A 43 -2.647 10.391 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.463 10.279 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.403 11.092 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.096 12.109 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.257 11.789 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.732 10.326 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.036 11.552 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.773 13.017 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 43 0.998 12.503 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.345 12.833 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.981 13.490 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.065 13.372 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.953 13.795 -5.046 1.00 0.00 H new ATOM 723 N PHE A 44 -1.945 8.155 -5.251 1.00 0.00 N ATOM 724 CA PHE A 44 -1.368 7.054 -6.008 1.00 0.00 C ATOM 725 C PHE A 44 -2.134 5.731 -5.852 1.00 0.00 C ATOM 726 O PHE A 44 -1.641 4.696 -6.285 1.00 0.00 O ATOM 727 CB PHE A 44 0.103 6.915 -5.575 1.00 0.00 C ATOM 728 CG PHE A 44 0.316 6.708 -4.084 1.00 0.00 C ATOM 729 CD1 PHE A 44 -0.109 5.516 -3.473 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.955 7.693 -3.302 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.096 5.303 -2.107 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.178 7.471 -1.930 1.00 0.00 C ATOM 733 CZ PHE A 44 0.751 6.270 -1.332 1.00 0.00 C ATOM 0 H PHE A 44 -1.355 8.445 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.439 7.283 -7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.546 6.075 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.643 7.810 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.599 4.757 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.274 8.619 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.252 4.390 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.677 8.222 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.927 6.095 -0.281 1.00 0.00 H new ATOM 743 N LEU A 45 -3.295 5.701 -5.194 1.00 0.00 N ATOM 744 CA LEU A 45 -4.011 4.497 -4.811 1.00 0.00 C ATOM 745 C LEU A 45 -4.151 3.462 -5.940 1.00 0.00 C ATOM 746 O LEU A 45 -3.787 2.315 -5.690 1.00 0.00 O ATOM 747 CB LEU A 45 -5.348 4.945 -4.201 1.00 0.00 C ATOM 748 CG LEU A 45 -6.248 3.806 -3.726 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.600 2.934 -2.645 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.539 4.409 -3.166 1.00 0.00 C ATOM 0 H LEU A 45 -3.776 6.553 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.433 3.945 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.144 5.604 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.890 5.533 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.439 3.162 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.292 2.144 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.685 2.489 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.361 3.548 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.195 3.609 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.301 5.068 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.042 4.980 -3.946 1.00 0.00 H new ATOM 762 N PRO A 46 -4.614 3.790 -7.162 1.00 0.00 N ATOM 763 CA PRO A 46 -4.685 2.806 -8.240 1.00 0.00 C ATOM 764 C PRO A 46 -3.314 2.382 -8.773 1.00 0.00 C ATOM 765 O PRO A 46 -3.199 1.269 -9.290 1.00 0.00 O ATOM 766 CB PRO A 46 -5.542 3.450 -9.331 1.00 0.00 C ATOM 767 CG PRO A 46 -5.326 4.936 -9.106 1.00 0.00 C ATOM 768 CD PRO A 46 -5.196 5.052 -7.595 1.00 0.00 C ATOM 0 HA PRO A 46 -5.121 1.877 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.224 3.143 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.592 3.176 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.430 5.293 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.162 5.525 -9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.561 5.894 -7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.167 5.218 -7.128 1.00 0.00 H new ATOM 776 N GLU A 47 -2.280 3.218 -8.666 1.00 0.00 N ATOM 777 CA GLU A 47 -0.922 2.856 -9.029 1.00 0.00 C ATOM 778 C GLU A 47 -0.447 1.787 -8.054 1.00 0.00 C ATOM 779 O GLU A 47 0.006 0.724 -8.470 1.00 0.00 O ATOM 780 CB GLU A 47 0.006 4.074 -8.949 1.00 0.00 C ATOM 781 CG GLU A 47 -0.420 5.267 -9.811 1.00 0.00 C ATOM 782 CD GLU A 47 0.471 6.480 -9.539 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.716 6.366 -9.643 1.00 0.00 O ATOM 784 OE2 GLU A 47 -0.076 7.559 -9.217 1.00 0.00 O ATOM 0 H GLU A 47 -2.370 4.174 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.902 2.484 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.067 4.398 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.009 3.769 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.363 4.998 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.460 5.520 -9.602 1.00 0.00 H new ATOM 791 N LEU A 48 -0.585 2.049 -6.748 1.00 0.00 N ATOM 792 CA LEU A 48 -0.155 1.126 -5.714 1.00 0.00 C ATOM 793 C LEU A 48 -0.960 -0.151 -5.773 1.00 0.00 C ATOM 794 O LEU A 48 -0.382 -1.217 -5.621 1.00 0.00 O ATOM 795 CB LEU A 48 -0.227 1.779 -4.333 1.00 0.00 C ATOM 796 CG LEU A 48 0.524 0.936 -3.273 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.385 1.810 -2.363 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.421 0.130 -2.381 1.00 0.00 C ATOM 0 H LEU A 48 -0.999 2.909 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 48 0.888 0.867 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.205 2.779 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.270 1.895 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 48 1.150 0.252 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.896 1.182 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.123 2.343 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.752 2.529 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.161 -0.441 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.091 0.809 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.007 -0.553 -2.996 1.00 0.00 H new ATOM 810 N ALA A 49 -2.264 -0.066 -6.022 1.00 0.00 N ATOM 811 CA ALA A 49 -3.093 -1.252 -6.180 1.00 0.00 C ATOM 812 C ALA A 49 -2.623 -2.107 -7.351 1.00 0.00 C ATOM 813 O ALA A 49 -2.442 -3.311 -7.176 1.00 0.00 O ATOM 814 CB ALA A 49 -4.565 -0.854 -6.355 1.00 0.00 C ATOM 0 H ALA A 49 -2.768 0.815 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.998 -1.852 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.173 -1.751 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.899 -0.301 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.670 -0.227 -7.240 1.00 0.00 H new ATOM 820 N ARG A 50 -2.390 -1.515 -8.527 1.00 0.00 N ATOM 821 CA ARG A 50 -1.880 -2.244 -9.675 1.00 0.00 C ATOM 822 C ARG A 50 -0.517 -2.847 -9.361 1.00 0.00 C ATOM 823 O ARG A 50 -0.327 -4.041 -9.575 1.00 0.00 O ATOM 824 CB ARG A 50 -1.844 -1.302 -10.888 1.00 0.00 C ATOM 825 CG ARG A 50 -1.341 -2.010 -12.153 1.00 0.00 C ATOM 826 CD ARG A 50 -0.016 -1.445 -12.685 1.00 0.00 C ATOM 827 NE ARG A 50 -0.192 -0.103 -13.259 1.00 0.00 N ATOM 828 CZ ARG A 50 0.770 0.723 -13.678 1.00 0.00 C ATOM 829 NH1 ARG A 50 2.054 0.429 -13.535 1.00 0.00 N ATOM 830 NH2 ARG A 50 0.428 1.863 -14.256 1.00 0.00 N ATOM 0 H ARG A 50 -2.551 -0.523 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.538 -3.079 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.843 -0.905 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.198 -0.452 -10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.215 -3.071 -11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.100 -1.929 -12.931 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.713 -1.403 -11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.388 -2.116 -13.443 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.151 0.233 -13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.330 -0.449 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.766 1.080 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.557 2.099 -14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.150 2.506 -14.582 1.00 0.00 H new ATOM 844 N ALA A 51 0.410 -2.050 -8.828 1.00 0.00 N ATOM 845 CA ALA A 51 1.741 -2.509 -8.480 1.00 0.00 C ATOM 846 C ALA A 51 1.664 -3.641 -7.450 1.00 0.00 C ATOM 847 O ALA A 51 2.433 -4.596 -7.542 1.00 0.00 O ATOM 848 CB ALA A 51 2.582 -1.328 -7.979 1.00 0.00 C ATOM 0 H ALA A 51 0.250 -1.063 -8.627 1.00 0.00 H new ATOM 0 HA ALA A 51 2.231 -2.915 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.581 -1.677 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.654 -0.574 -8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.109 -0.892 -7.099 1.00 0.00 H new ATOM 854 N LEU A 52 0.760 -3.564 -6.467 1.00 0.00 N ATOM 855 CA LEU A 52 0.549 -4.600 -5.457 1.00 0.00 C ATOM 856 C LEU A 52 -0.173 -5.812 -6.048 1.00 0.00 C ATOM 857 O LEU A 52 -0.121 -6.896 -5.477 1.00 0.00 O ATOM 858 CB LEU A 52 -0.182 -4.012 -4.252 1.00 0.00 C ATOM 859 CG LEU A 52 -0.013 -4.787 -2.936 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.448 -4.989 -2.486 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.703 -3.988 -1.829 1.00 0.00 C ATOM 0 H LEU A 52 0.142 -2.761 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 52 1.517 -4.962 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.167 -2.991 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.245 -3.954 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.439 -5.775 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.466 -5.545 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.990 -5.546 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.922 -4.018 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.599 -4.515 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.242 -3.004 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.761 -3.875 -2.067 1.00 0.00 H new ATOM 873 N GLY A 53 -0.907 -5.635 -7.140 1.00 0.00 N ATOM 874 CA GLY A 53 -1.643 -6.681 -7.823 1.00 0.00 C ATOM 875 C GLY A 53 -2.872 -7.061 -7.018 1.00 0.00 C ATOM 876 O GLY A 53 -3.097 -8.248 -6.771 1.00 0.00 O ATOM 0 H GLY A 53 -1.007 -4.724 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.939 -6.340 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.005 -7.554 -7.963 1.00 0.00 H new ATOM 880 N VAL A 54 -3.617 -6.056 -6.557 1.00 0.00 N ATOM 881 CA VAL A 54 -4.917 -6.214 -5.914 1.00 0.00 C ATOM 882 C VAL A 54 -5.832 -5.086 -6.409 1.00 0.00 C ATOM 883 O VAL A 54 -5.349 -4.114 -6.999 1.00 0.00 O ATOM 884 CB VAL A 54 -4.785 -6.230 -4.373 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.700 -7.180 -3.839 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.501 -4.836 -3.814 1.00 0.00 C ATOM 0 H VAL A 54 -3.322 -5.082 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.356 -7.175 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.754 -6.596 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.675 -7.129 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.925 -8.200 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.730 -6.885 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.415 -4.890 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.568 -4.459 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.317 -4.164 -4.081 1.00 0.00 H new ATOM 896 N ALA A 55 -7.139 -5.182 -6.167 1.00 0.00 N ATOM 897 CA ALA A 55 -8.080 -4.135 -6.561 1.00 0.00 C ATOM 898 C ALA A 55 -7.887 -2.883 -5.689 1.00 0.00 C ATOM 899 O ALA A 55 -7.477 -2.993 -4.535 1.00 0.00 O ATOM 900 CB ALA A 55 -9.501 -4.698 -6.439 1.00 0.00 C ATOM 0 H ALA A 55 -7.571 -5.978 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.903 -3.832 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.222 -3.933 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.607 -5.563 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.686 -4.999 -5.408 1.00 0.00 H new ATOM 906 N VAL A 56 -8.262 -1.695 -6.175 1.00 0.00 N ATOM 907 CA VAL A 56 -8.418 -0.505 -5.333 1.00 0.00 C ATOM 908 C VAL A 56 -9.529 -0.772 -4.319 1.00 0.00 C ATOM 909 O VAL A 56 -9.397 -0.362 -3.170 1.00 0.00 O ATOM 910 CB VAL A 56 -8.743 0.714 -6.226 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.265 1.925 -5.444 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.506 1.159 -7.013 1.00 0.00 C ATOM 0 H VAL A 56 -8.465 -1.532 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.497 -0.286 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.533 0.374 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.472 2.742 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.181 1.652 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.514 2.242 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.760 2.018 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.713 1.435 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.165 0.341 -7.647 1.00 0.00 H new ATOM 922 N ASP A 57 -10.579 -1.498 -4.708 1.00 0.00 N ATOM 923 CA ASP A 57 -11.636 -1.902 -3.787 1.00 0.00 C ATOM 924 C ASP A 57 -11.081 -2.798 -2.686 1.00 0.00 C ATOM 925 O ASP A 57 -11.363 -2.570 -1.512 1.00 0.00 O ATOM 926 CB ASP A 57 -12.761 -2.614 -4.540 1.00 0.00 C ATOM 927 CG ASP A 57 -14.007 -2.733 -3.663 1.00 0.00 C ATOM 928 OD1 ASP A 57 -13.980 -3.459 -2.647 1.00 0.00 O ATOM 929 OD2 ASP A 57 -15.033 -2.095 -3.984 1.00 0.00 O ATOM 0 H ASP A 57 -10.718 -1.820 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.044 -1.004 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.002 -2.064 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.429 -3.606 -4.846 1.00 0.00 H new ATOM 934 N TRP A 58 -10.217 -3.758 -3.036 1.00 0.00 N ATOM 935 CA TRP A 58 -9.546 -4.579 -2.039 1.00 0.00 C ATOM 936 C TRP A 58 -8.679 -3.689 -1.170 1.00 0.00 C ATOM 937 O TRP A 58 -8.632 -3.867 0.036 1.00 0.00 O ATOM 938 CB TRP A 58 -8.673 -5.655 -2.679 1.00 0.00 C ATOM 939 CG TRP A 58 -8.085 -6.643 -1.715 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.679 -7.795 -1.364 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.804 -6.643 -1.013 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.889 -8.498 -0.480 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.685 -7.863 -0.283 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.721 -5.746 -0.926 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.530 -8.200 0.437 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.535 -6.089 -0.244 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.436 -7.321 0.428 1.00 0.00 C ATOM 0 H TRP A 58 -9.971 -3.980 -4.001 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.311 -5.079 -1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.268 -6.196 -3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.861 -5.170 -3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.642 -8.125 -1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.161 -9.373 -0.032 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.801 -4.775 -1.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.483 -9.125 0.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.700 -5.404 -0.238 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.521 -7.589 0.935 1.00 0.00 H new ATOM 958 N LEU A 59 -7.984 -2.717 -1.747 1.00 0.00 N ATOM 959 CA LEU A 59 -7.177 -1.820 -0.959 1.00 0.00 C ATOM 960 C LEU A 59 -8.018 -1.017 0.018 1.00 0.00 C ATOM 961 O LEU A 59 -7.648 -0.974 1.183 1.00 0.00 O ATOM 962 CB LEU A 59 -6.286 -0.968 -1.852 1.00 0.00 C ATOM 963 CG LEU A 59 -4.877 -1.560 -2.019 1.00 0.00 C ATOM 964 CD1 LEU A 59 -3.999 -0.500 -2.672 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.162 -2.017 -0.729 1.00 0.00 C ATOM 0 H LEU A 59 -7.968 -2.537 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.506 -2.412 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.752 -0.866 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.207 0.034 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.018 -2.463 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.991 -0.893 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.414 -0.232 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.964 0.385 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.179 -2.415 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.049 -1.168 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.753 -2.792 -0.240 1.00 0.00 H new ATOM 977 N LEU A 60 -9.131 -0.421 -0.390 1.00 0.00 N ATOM 978 CA LEU A 60 -9.965 0.384 0.496 1.00 0.00 C ATOM 979 C LEU A 60 -10.694 -0.483 1.522 1.00 0.00 C ATOM 980 O LEU A 60 -10.612 -0.232 2.724 1.00 0.00 O ATOM 981 CB LEU A 60 -10.942 1.224 -0.342 1.00 0.00 C ATOM 982 CG LEU A 60 -10.259 2.486 -0.925 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.173 3.230 -1.900 1.00 0.00 C ATOM 984 CD2 LEU A 60 -9.801 3.501 0.141 1.00 0.00 C ATOM 0 H LEU A 60 -9.482 -0.482 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.326 1.060 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.339 0.617 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.789 1.521 0.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.379 2.094 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.656 4.108 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.435 2.571 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.080 3.542 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.333 4.356 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.663 3.839 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.082 3.027 0.810 1.00 0.00 H new ATOM 996 N ASN A 61 -11.409 -1.498 1.052 1.00 0.00 N ATOM 997 CA ASN A 61 -12.294 -2.334 1.855 1.00 0.00 C ATOM 998 C ASN A 61 -11.567 -3.536 2.433 1.00 0.00 C ATOM 999 O ASN A 61 -11.653 -3.778 3.635 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.480 -2.802 1.005 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.248 -1.592 0.515 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.773 -0.811 1.305 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.236 -1.340 -0.774 1.00 0.00 N ATOM 0 H ASN A 61 -11.388 -1.771 0.069 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.653 -1.731 2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.127 -3.391 0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.132 -3.448 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.666 -0.487 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.796 -1.998 -1.418 1.00 0.00 H new ATOM 1010 N GLY A 62 -10.845 -4.283 1.596 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.178 -5.518 1.978 1.00 0.00 C ATOM 1012 C GLY A 62 -11.217 -6.594 2.214 1.00 0.00 C ATOM 1013 O GLY A 62 -11.608 -6.843 3.357 1.00 0.00 O ATOM 0 H GLY A 62 -10.708 -4.037 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.487 -5.829 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.587 -5.362 2.881 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.663 -7.216 1.122 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.814 -8.107 1.083 1.00 0.00 C ATOM 1019 C ALA A 63 -13.991 -7.518 1.857 1.00 0.00 C ATOM 1020 O ALA A 63 -14.367 -6.369 1.602 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.421 -9.501 1.575 1.00 0.00 C ATOM 0 H ALA A 63 -11.215 -7.107 0.212 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.148 -8.211 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.291 -10.157 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.636 -9.905 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.056 -9.436 2.600 1.00 0.00 H new TER 1027 ALA A 63