USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 MET CE :methyl 169:sc= 0 (180deg=-0.22) USER MOD Single : A 12 GLN : amide:sc= 0.892 K(o=0.89,f=-3.9!) USER MOD Single : A 16 ASN : amide:sc= -0.0252 K(o=-0.025,f=-6.4!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.855) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc=-0.000193 K(o=-0.00019,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.71) USER MOD Single : A 36 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.545 K(o=0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.643 -0.943 6.179 1.00 0.00 N ATOM 38 CA MET A 2 -5.767 -0.636 5.062 1.00 0.00 C ATOM 39 C MET A 2 -4.320 -0.816 5.461 1.00 0.00 C ATOM 40 O MET A 2 -3.595 -1.491 4.743 1.00 0.00 O ATOM 41 CB MET A 2 -5.985 0.799 4.567 1.00 0.00 C ATOM 42 CG MET A 2 -6.937 0.756 3.381 1.00 0.00 C ATOM 43 SD MET A 2 -7.360 2.331 2.613 1.00 0.00 S ATOM 44 CE MET A 2 -5.743 2.797 1.929 1.00 0.00 C ATOM 0 HA MET A 2 -6.008 -1.325 4.253 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.399 1.417 5.364 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.036 1.249 4.276 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.498 0.114 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.861 0.279 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.864 3.646 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.069 3.070 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.324 1.955 1.378 1.00 0.00 H new ATOM 54 N GLY A 3 -3.896 -0.184 6.549 1.00 0.00 N ATOM 55 CA GLY A 3 -2.525 -0.296 7.004 1.00 0.00 C ATOM 56 C GLY A 3 -2.032 -1.740 7.049 1.00 0.00 C ATOM 57 O GLY A 3 -1.022 -2.047 6.416 1.00 0.00 O ATOM 0 H GLY A 3 -4.487 0.411 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.880 0.283 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.440 0.143 7.998 1.00 0.00 H new ATOM 61 N GLU A 4 -2.759 -2.638 7.723 1.00 0.00 N ATOM 62 CA GLU A 4 -2.382 -4.057 7.719 1.00 0.00 C ATOM 63 C GLU A 4 -2.535 -4.675 6.330 1.00 0.00 C ATOM 64 O GLU A 4 -1.811 -5.603 5.990 1.00 0.00 O ATOM 65 CB GLU A 4 -3.142 -4.872 8.775 1.00 0.00 C ATOM 66 CG GLU A 4 -2.220 -5.458 9.855 1.00 0.00 C ATOM 67 CD GLU A 4 -1.311 -6.608 9.391 1.00 0.00 C ATOM 68 OE1 GLU A 4 -0.432 -6.429 8.524 1.00 0.00 O ATOM 69 OE2 GLU A 4 -1.371 -7.704 10.002 1.00 0.00 O ATOM 0 H GLU A 4 -3.593 -2.416 8.267 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.327 -4.096 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.890 -4.236 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.679 -5.683 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.593 -4.657 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.836 -5.814 10.681 1.00 0.00 H new ATOM 76 N ARG A 5 -3.507 -4.255 5.520 1.00 0.00 N ATOM 77 CA ARG A 5 -3.699 -4.816 4.186 1.00 0.00 C ATOM 78 C ARG A 5 -2.449 -4.577 3.344 1.00 0.00 C ATOM 79 O ARG A 5 -1.955 -5.525 2.735 1.00 0.00 O ATOM 80 CB ARG A 5 -4.952 -4.222 3.526 1.00 0.00 C ATOM 81 CG ARG A 5 -6.105 -5.225 3.577 1.00 0.00 C ATOM 82 CD ARG A 5 -7.235 -4.859 2.614 1.00 0.00 C ATOM 83 NE ARG A 5 -7.860 -3.554 2.878 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.729 -3.265 3.847 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.940 -4.101 4.852 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.399 -2.126 3.784 1.00 0.00 N ATOM 0 H ARG A 5 -4.175 -3.525 5.767 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.855 -5.892 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.238 -3.302 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.736 -3.959 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.730 -6.219 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.497 -5.273 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.844 -4.862 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.002 -5.632 2.663 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.601 -2.790 2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.433 -4.985 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.609 -3.861 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.246 -1.487 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.068 -1.887 4.516 1.00 0.00 H new ATOM 100 N ILE A 6 -1.916 -3.349 3.308 1.00 0.00 N ATOM 101 CA ILE A 6 -0.647 -3.087 2.638 1.00 0.00 C ATOM 102 C ILE A 6 0.425 -3.944 3.312 1.00 0.00 C ATOM 103 O ILE A 6 1.108 -4.697 2.616 1.00 0.00 O ATOM 104 CB ILE A 6 -0.281 -1.574 2.617 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.146 -0.730 1.649 1.00 0.00 C ATOM 106 CG2 ILE A 6 1.168 -1.359 2.136 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.486 -0.282 2.223 1.00 0.00 C ATOM 0 H ILE A 6 -2.346 -2.528 3.735 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.726 -3.362 1.586 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.444 -1.254 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.580 0.152 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.329 -1.311 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.396 -0.293 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.855 -1.874 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.280 -1.758 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.024 0.303 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.077 -1.157 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.316 0.329 3.109 1.00 0.00 H new ATOM 119 N ARG A 7 0.582 -3.837 4.635 1.00 0.00 N ATOM 120 CA ARG A 7 1.719 -4.427 5.331 1.00 0.00 C ATOM 121 C ARG A 7 1.770 -5.939 5.137 1.00 0.00 C ATOM 122 O ARG A 7 2.815 -6.471 4.767 1.00 0.00 O ATOM 123 CB ARG A 7 1.611 -4.029 6.815 1.00 0.00 C ATOM 124 CG ARG A 7 2.868 -4.264 7.638 1.00 0.00 C ATOM 125 CD ARG A 7 2.810 -5.643 8.293 1.00 0.00 C ATOM 126 NE ARG A 7 4.095 -5.975 8.891 1.00 0.00 N ATOM 127 CZ ARG A 7 4.617 -5.475 10.015 1.00 0.00 C ATOM 128 NH1 ARG A 7 3.905 -4.709 10.832 1.00 0.00 N ATOM 129 NH2 ARG A 7 5.874 -5.763 10.306 1.00 0.00 N ATOM 0 H ARG A 7 -0.070 -3.343 5.244 1.00 0.00 H new ATOM 0 HA ARG A 7 2.656 -4.051 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.349 -2.973 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.790 -4.587 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.749 -4.191 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.962 -3.492 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.032 -5.658 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.542 -6.394 7.550 1.00 0.00 H new ATOM 0 HE ARG A 7 4.660 -6.666 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.934 -4.489 10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.328 -4.340 11.684 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.420 -6.354 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.298 -5.395 11.158 1.00 0.00 H new ATOM 143 N ALA A 8 0.644 -6.627 5.299 1.00 0.00 N ATOM 144 CA ALA A 8 0.541 -8.067 5.151 1.00 0.00 C ATOM 145 C ALA A 8 0.829 -8.462 3.711 1.00 0.00 C ATOM 146 O ALA A 8 1.619 -9.377 3.486 1.00 0.00 O ATOM 147 CB ALA A 8 -0.846 -8.564 5.576 1.00 0.00 C ATOM 0 H ALA A 8 -0.242 -6.184 5.543 1.00 0.00 H new ATOM 0 HA ALA A 8 1.279 -8.535 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.897 -9.646 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.020 -8.306 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.607 -8.093 4.954 1.00 0.00 H new ATOM 153 N ARG A 9 0.220 -7.794 2.720 1.00 0.00 N ATOM 154 CA ARG A 9 0.426 -8.175 1.324 1.00 0.00 C ATOM 155 C ARG A 9 1.892 -7.913 0.945 1.00 0.00 C ATOM 156 O ARG A 9 2.485 -8.722 0.237 1.00 0.00 O ATOM 157 CB ARG A 9 -0.591 -7.423 0.448 1.00 0.00 C ATOM 158 CG ARG A 9 -1.035 -8.031 -0.897 1.00 0.00 C ATOM 159 CD ARG A 9 -0.068 -8.944 -1.637 1.00 0.00 C ATOM 160 NE ARG A 9 -0.389 -8.909 -3.061 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.510 -9.944 -3.911 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.513 -11.205 -3.499 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.634 -9.703 -5.206 1.00 0.00 N ATOM 0 H ARG A 9 -0.407 -7.002 2.860 1.00 0.00 H new ATOM 0 HA ARG A 9 0.250 -9.239 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.488 -7.270 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.175 -6.437 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.952 -8.593 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.290 -7.208 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.959 -8.619 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.144 -9.963 -1.257 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.540 -7.983 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.421 -11.417 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.607 -11.962 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.637 -8.742 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.727 -10.478 -5.862 1.00 0.00 H new ATOM 177 N ARG A 10 2.529 -6.846 1.444 1.00 0.00 N ATOM 178 CA ARG A 10 3.959 -6.639 1.235 1.00 0.00 C ATOM 179 C ARG A 10 4.766 -7.836 1.723 1.00 0.00 C ATOM 180 O ARG A 10 5.643 -8.303 1.007 1.00 0.00 O ATOM 181 CB ARG A 10 4.467 -5.388 1.964 1.00 0.00 C ATOM 182 CG ARG A 10 5.694 -4.830 1.222 1.00 0.00 C ATOM 183 CD ARG A 10 6.071 -3.430 1.710 1.00 0.00 C ATOM 184 NE ARG A 10 5.748 -3.232 3.113 1.00 0.00 N ATOM 185 CZ ARG A 10 6.289 -3.813 4.182 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.388 -4.554 4.122 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.697 -3.634 5.339 1.00 0.00 N ATOM 0 H ARG A 10 2.074 -6.117 1.993 1.00 0.00 H new ATOM 0 HA ARG A 10 4.095 -6.511 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.681 -4.634 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.731 -5.634 2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.540 -5.503 1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.487 -4.798 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.138 -3.270 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.548 -2.685 1.110 1.00 0.00 H new ATOM 0 HE ARG A 10 5.007 -2.557 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.857 -4.699 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.764 -4.978 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.852 -3.066 5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.082 -4.063 6.181 1.00 0.00 H new ATOM 201 N ILE A 11 4.498 -8.306 2.939 1.00 0.00 N ATOM 202 CA ILE A 11 5.211 -9.413 3.565 1.00 0.00 C ATOM 203 C ILE A 11 4.914 -10.725 2.842 1.00 0.00 C ATOM 204 O ILE A 11 5.804 -11.563 2.721 1.00 0.00 O ATOM 205 CB ILE A 11 4.880 -9.431 5.070 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.439 -8.159 5.757 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.380 -10.690 5.800 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.966 -7.991 5.716 1.00 0.00 C ATOM 0 H ILE A 11 3.762 -7.918 3.529 1.00 0.00 H new ATOM 0 HA ILE A 11 6.289 -9.279 3.476 1.00 0.00 H new ATOM 0 HB ILE A 11 3.792 -9.448 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.984 -7.286 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.121 -8.163 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.110 -10.631 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.921 -11.574 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.464 -10.759 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.244 -7.069 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.439 -8.838 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.300 -7.947 4.679 1.00 0.00 H new ATOM 220 N GLN A 12 3.708 -10.905 2.310 1.00 0.00 N ATOM 221 CA GLN A 12 3.382 -12.017 1.419 1.00 0.00 C ATOM 222 C GLN A 12 4.290 -12.045 0.183 1.00 0.00 C ATOM 223 O GLN A 12 4.807 -13.095 -0.194 1.00 0.00 O ATOM 224 CB GLN A 12 1.928 -11.781 0.985 1.00 0.00 C ATOM 225 CG GLN A 12 1.114 -12.981 0.522 1.00 0.00 C ATOM 226 CD GLN A 12 -0.273 -12.474 0.149 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.654 -12.430 -1.017 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.034 -11.989 1.112 1.00 0.00 N ATOM 0 H GLN A 12 2.923 -10.279 2.486 1.00 0.00 H new ATOM 0 HA GLN A 12 3.522 -12.970 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.400 -11.323 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.936 -11.051 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.590 -13.461 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.050 -13.729 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.716 -12.026 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.940 -11.577 0.888 1.00 0.00 H new ATOM 237 N LEU A 13 4.631 -10.861 -0.325 1.00 0.00 N ATOM 238 CA LEU A 13 5.574 -10.637 -1.418 1.00 0.00 C ATOM 239 C LEU A 13 7.020 -10.586 -0.891 1.00 0.00 C ATOM 240 O LEU A 13 7.965 -10.505 -1.670 1.00 0.00 O ATOM 241 CB LEU A 13 5.142 -9.350 -2.153 1.00 0.00 C ATOM 242 CG LEU A 13 5.885 -9.012 -3.460 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.734 -10.093 -4.535 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.324 -7.693 -4.008 1.00 0.00 C ATOM 0 H LEU A 13 4.238 -9.991 0.033 1.00 0.00 H new ATOM 0 HA LEU A 13 5.558 -11.463 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.078 -9.428 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.262 -8.511 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 13 6.947 -8.939 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.280 -9.795 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.135 -11.035 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.679 -10.219 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.838 -7.436 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.257 -7.805 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.478 -6.900 -3.276 1.00 0.00 H new ATOM 256 N GLY A 14 7.206 -10.659 0.429 1.00 0.00 N ATOM 257 CA GLY A 14 8.475 -10.640 1.140 1.00 0.00 C ATOM 258 C GLY A 14 9.160 -9.282 1.155 1.00 0.00 C ATOM 259 O GLY A 14 10.254 -9.170 1.715 1.00 0.00 O ATOM 0 H GLY A 14 6.415 -10.738 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.308 -10.962 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.146 -11.368 0.683 1.00 0.00 H new ATOM 263 N LEU A 15 8.553 -8.248 0.571 1.00 0.00 N ATOM 264 CA LEU A 15 9.331 -7.093 0.162 1.00 0.00 C ATOM 265 C LEU A 15 9.495 -6.191 1.385 1.00 0.00 C ATOM 266 O LEU A 15 8.692 -6.238 2.323 1.00 0.00 O ATOM 267 CB LEU A 15 8.556 -6.316 -0.923 1.00 0.00 C ATOM 268 CG LEU A 15 9.040 -6.503 -2.374 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.433 -5.382 -3.224 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.558 -6.559 -2.561 1.00 0.00 C ATOM 0 H LEU A 15 7.553 -8.191 0.377 1.00 0.00 H new ATOM 0 HA LEU A 15 10.299 -7.403 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.508 -6.610 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.601 -5.254 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 15 8.700 -7.488 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.761 -5.491 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.345 -5.440 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.761 -4.416 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.790 -6.693 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.003 -5.629 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.964 -7.395 -1.992 1.00 0.00 H new ATOM 282 N ASN A 16 10.441 -5.260 1.331 1.00 0.00 N ATOM 283 CA ASN A 16 10.512 -4.172 2.301 1.00 0.00 C ATOM 284 C ASN A 16 9.773 -2.948 1.788 1.00 0.00 C ATOM 285 O ASN A 16 9.283 -2.912 0.657 1.00 0.00 O ATOM 286 CB ASN A 16 11.934 -3.840 2.739 1.00 0.00 C ATOM 287 CG ASN A 16 12.808 -3.224 1.670 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.534 -2.125 1.204 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.876 -3.894 1.293 1.00 0.00 N ATOM 0 H ASN A 16 11.174 -5.237 0.622 1.00 0.00 H new ATOM 0 HA ASN A 16 10.010 -4.523 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.886 -3.156 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.411 -4.754 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.504 -3.500 0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.075 -4.807 1.701 1.00 0.00 H new ATOM 296 N GLN A 17 9.617 -1.969 2.673 1.00 0.00 N ATOM 297 CA GLN A 17 8.776 -0.813 2.446 1.00 0.00 C ATOM 298 C GLN A 17 9.356 0.064 1.340 1.00 0.00 C ATOM 299 O GLN A 17 8.590 0.521 0.496 1.00 0.00 O ATOM 300 CB GLN A 17 8.585 -0.072 3.774 1.00 0.00 C ATOM 301 CG GLN A 17 7.823 -0.970 4.769 1.00 0.00 C ATOM 302 CD GLN A 17 7.731 -0.379 6.160 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.136 -0.984 7.148 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.202 0.817 6.240 1.00 0.00 N ATOM 0 H GLN A 17 10.082 -1.962 3.581 1.00 0.00 H new ATOM 0 HA GLN A 17 7.791 -1.119 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.554 0.205 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.033 0.853 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.817 -1.148 4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.318 -1.939 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.877 1.288 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.116 1.277 7.146 1.00 0.00 H new ATOM 313 N ALA A 18 10.678 0.261 1.299 1.00 0.00 N ATOM 314 CA ALA A 18 11.330 0.988 0.226 1.00 0.00 C ATOM 315 C ALA A 18 11.107 0.281 -1.113 1.00 0.00 C ATOM 316 O ALA A 18 10.755 0.924 -2.095 1.00 0.00 O ATOM 317 CB ALA A 18 12.820 1.177 0.526 1.00 0.00 C ATOM 0 H ALA A 18 11.319 -0.083 2.014 1.00 0.00 H new ATOM 0 HA ALA A 18 10.884 1.980 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.289 1.724 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.936 1.739 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.297 0.202 0.631 1.00 0.00 H new ATOM 323 N GLU A 19 11.248 -1.040 -1.168 1.00 0.00 N ATOM 324 CA GLU A 19 11.065 -1.789 -2.398 1.00 0.00 C ATOM 325 C GLU A 19 9.637 -1.704 -2.930 1.00 0.00 C ATOM 326 O GLU A 19 9.458 -1.518 -4.138 1.00 0.00 O ATOM 327 CB GLU A 19 11.424 -3.238 -2.111 1.00 0.00 C ATOM 328 CG GLU A 19 12.924 -3.414 -1.910 1.00 0.00 C ATOM 329 CD GLU A 19 13.597 -3.927 -3.177 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.470 -3.275 -4.241 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.227 -5.002 -3.121 1.00 0.00 O ATOM 0 H GLU A 19 11.491 -1.616 -0.362 1.00 0.00 H new ATOM 0 HA GLU A 19 11.707 -1.362 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.895 -3.575 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.091 -3.867 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.368 -2.462 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.104 -4.112 -1.092 1.00 0.00 H new ATOM 338 N LEU A 20 8.623 -1.839 -2.058 1.00 0.00 N ATOM 339 CA LEU A 20 7.240 -1.620 -2.469 1.00 0.00 C ATOM 340 C LEU A 20 7.107 -0.202 -2.993 1.00 0.00 C ATOM 341 O LEU A 20 6.466 0.006 -4.015 1.00 0.00 O ATOM 342 CB LEU A 20 6.246 -1.868 -1.320 1.00 0.00 C ATOM 343 CG LEU A 20 4.772 -1.537 -1.686 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.259 -2.370 -2.862 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.804 -1.776 -0.525 1.00 0.00 C ATOM 0 H LEU A 20 8.740 -2.096 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 20 6.994 -2.336 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.310 -2.913 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.541 -1.267 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 20 4.795 -0.479 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.225 -2.099 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.874 -2.176 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.312 -3.429 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.790 -1.528 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.845 -2.824 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.086 -1.147 0.319 1.00 0.00 H new ATOM 357 N ALA A 21 7.706 0.766 -2.304 1.00 0.00 N ATOM 358 CA ALA A 21 7.600 2.152 -2.681 1.00 0.00 C ATOM 359 C ALA A 21 8.101 2.385 -4.099 1.00 0.00 C ATOM 360 O ALA A 21 7.376 2.922 -4.938 1.00 0.00 O ATOM 361 CB ALA A 21 8.366 3.018 -1.688 1.00 0.00 C ATOM 0 H ALA A 21 8.274 0.601 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 21 6.547 2.432 -2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.282 4.065 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.948 2.884 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.416 2.725 -1.684 1.00 0.00 H new ATOM 367 N GLN A 22 9.333 1.966 -4.371 1.00 0.00 N ATOM 368 CA GLN A 22 10.041 2.349 -5.576 1.00 0.00 C ATOM 369 C GLN A 22 9.364 1.756 -6.813 1.00 0.00 C ATOM 370 O GLN A 22 9.257 2.457 -7.820 1.00 0.00 O ATOM 371 CB GLN A 22 11.520 1.959 -5.439 1.00 0.00 C ATOM 372 CG GLN A 22 12.194 2.844 -4.374 1.00 0.00 C ATOM 373 CD GLN A 22 13.624 2.418 -4.062 1.00 0.00 C ATOM 374 OE1 GLN A 22 13.866 1.622 -3.157 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.598 2.999 -4.734 1.00 0.00 N ATOM 0 H GLN A 22 9.865 1.350 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 22 10.003 3.430 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.605 0.909 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.027 2.076 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.196 3.878 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.604 2.814 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.380 3.657 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.570 2.790 -4.506 1.00 0.00 H new ATOM 384 N LYS A 23 8.849 0.521 -6.742 1.00 0.00 N ATOM 385 CA LYS A 23 8.124 -0.131 -7.825 1.00 0.00 C ATOM 386 C LYS A 23 6.683 0.385 -7.991 1.00 0.00 C ATOM 387 O LYS A 23 5.981 -0.073 -8.894 1.00 0.00 O ATOM 388 CB LYS A 23 8.377 -1.655 -7.740 1.00 0.00 C ATOM 389 CG LYS A 23 7.200 -2.631 -7.619 1.00 0.00 C ATOM 390 CD LYS A 23 6.571 -2.608 -6.223 1.00 0.00 C ATOM 391 CE LYS A 23 5.193 -3.276 -6.213 1.00 0.00 C ATOM 392 NZ LYS A 23 5.225 -4.671 -6.697 1.00 0.00 N ATOM 0 H LYS A 23 8.930 -0.060 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 23 8.513 0.156 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.941 -1.938 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.027 -1.826 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.443 -2.378 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.543 -3.641 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.228 -3.118 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.478 -1.577 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.794 -3.258 -5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.510 -2.697 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.252 -5.021 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.718 -4.710 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.727 -5.266 -6.008 1.00 0.00 H new ATOM 406 N VAL A 24 6.218 1.287 -7.117 1.00 0.00 N ATOM 407 CA VAL A 24 4.995 2.073 -7.309 1.00 0.00 C ATOM 408 C VAL A 24 5.346 3.500 -7.784 1.00 0.00 C ATOM 409 O VAL A 24 4.560 4.133 -8.495 1.00 0.00 O ATOM 410 CB VAL A 24 4.198 2.108 -5.986 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.859 2.831 -6.140 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.850 0.713 -5.439 1.00 0.00 C ATOM 0 H VAL A 24 6.693 1.494 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 24 4.378 1.608 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 24 4.866 2.629 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.334 2.831 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.035 3.859 -6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.253 2.319 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.291 0.816 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.244 0.177 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.768 0.157 -5.251 1.00 0.00 H new ATOM 422 N GLY A 25 6.503 4.034 -7.387 1.00 0.00 N ATOM 423 CA GLY A 25 6.935 5.404 -7.648 1.00 0.00 C ATOM 424 C GLY A 25 6.966 6.285 -6.400 1.00 0.00 C ATOM 425 O GLY A 25 7.340 7.459 -6.489 1.00 0.00 O ATOM 0 H GLY A 25 7.190 3.501 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.930 5.384 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.267 5.853 -8.383 1.00 0.00 H new ATOM 429 N VAL A 26 6.589 5.766 -5.236 1.00 0.00 N ATOM 430 CA VAL A 26 6.478 6.515 -3.996 1.00 0.00 C ATOM 431 C VAL A 26 7.781 6.382 -3.192 1.00 0.00 C ATOM 432 O VAL A 26 8.691 5.668 -3.619 1.00 0.00 O ATOM 433 CB VAL A 26 5.182 6.079 -3.288 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.972 6.137 -4.236 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.182 4.675 -2.688 1.00 0.00 C ATOM 0 H VAL A 26 6.345 4.781 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 26 6.378 7.589 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 26 5.116 6.796 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.076 5.822 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.841 7.157 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.141 5.472 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.218 4.481 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.355 3.942 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.973 4.598 -1.942 1.00 0.00 H new ATOM 445 N ASP A 27 7.927 7.105 -2.076 1.00 0.00 N ATOM 446 CA ASP A 27 9.041 6.955 -1.152 1.00 0.00 C ATOM 447 C ASP A 27 8.680 5.842 -0.163 1.00 0.00 C ATOM 448 O ASP A 27 7.502 5.532 0.042 1.00 0.00 O ATOM 449 CB ASP A 27 9.307 8.244 -0.350 1.00 0.00 C ATOM 450 CG ASP A 27 8.195 9.282 -0.335 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.095 8.945 0.142 1.00 0.00 O ATOM 452 OD2 ASP A 27 8.424 10.431 -0.784 1.00 0.00 O ATOM 0 H ASP A 27 7.259 7.821 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 27 9.938 6.724 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.525 7.964 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.206 8.714 -0.750 1.00 0.00 H new ATOM 457 N GLN A 28 9.683 5.287 0.527 1.00 0.00 N ATOM 458 CA GLN A 28 9.481 4.361 1.642 1.00 0.00 C ATOM 459 C GLN A 28 8.483 4.952 2.642 1.00 0.00 C ATOM 460 O GLN A 28 7.632 4.236 3.172 1.00 0.00 O ATOM 461 CB GLN A 28 10.836 4.118 2.322 1.00 0.00 C ATOM 462 CG GLN A 28 10.806 3.163 3.526 1.00 0.00 C ATOM 463 CD GLN A 28 11.921 3.525 4.499 1.00 0.00 C ATOM 464 OE1 GLN A 28 13.097 3.432 4.166 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.582 3.967 5.697 1.00 0.00 N ATOM 0 H GLN A 28 10.665 5.471 0.324 1.00 0.00 H new ATOM 0 HA GLN A 28 9.076 3.417 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.529 3.720 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.236 5.077 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.840 3.224 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.925 2.133 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.598 4.037 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.305 4.238 6.364 1.00 0.00 H new ATOM 474 N GLN A 29 8.585 6.256 2.905 1.00 0.00 N ATOM 475 CA GLN A 29 7.720 6.948 3.836 1.00 0.00 C ATOM 476 C GLN A 29 6.251 6.843 3.426 1.00 0.00 C ATOM 477 O GLN A 29 5.400 6.653 4.292 1.00 0.00 O ATOM 478 CB GLN A 29 8.171 8.392 4.061 1.00 0.00 C ATOM 479 CG GLN A 29 8.153 8.696 5.566 1.00 0.00 C ATOM 480 CD GLN A 29 8.792 10.036 5.891 1.00 0.00 C ATOM 481 OE1 GLN A 29 9.521 10.617 5.084 1.00 0.00 O ATOM 482 NE2 GLN A 29 8.549 10.565 7.071 1.00 0.00 N ATOM 0 H GLN A 29 9.281 6.860 2.468 1.00 0.00 H new ATOM 0 HA GLN A 29 7.806 6.447 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.174 8.540 3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.511 9.079 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.123 8.691 5.923 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.680 7.906 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.945 10.078 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.965 11.462 7.323 1.00 0.00 H new ATOM 491 N ALA A 30 5.912 7.004 2.144 1.00 0.00 N ATOM 492 CA ALA A 30 4.545 6.801 1.678 1.00 0.00 C ATOM 493 C ALA A 30 4.004 5.402 2.007 1.00 0.00 C ATOM 494 O ALA A 30 2.802 5.263 2.242 1.00 0.00 O ATOM 495 CB ALA A 30 4.445 7.061 0.179 1.00 0.00 C ATOM 0 H ALA A 30 6.569 7.275 1.412 1.00 0.00 H new ATOM 0 HA ALA A 30 3.925 7.519 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.418 6.904 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.741 8.088 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.105 6.376 -0.354 1.00 0.00 H new ATOM 501 N ILE A 31 4.847 4.366 2.047 1.00 0.00 N ATOM 502 CA ILE A 31 4.430 3.045 2.503 1.00 0.00 C ATOM 503 C ILE A 31 4.285 3.053 4.026 1.00 0.00 C ATOM 504 O ILE A 31 3.283 2.562 4.532 1.00 0.00 O ATOM 505 CB ILE A 31 5.408 1.967 1.991 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.574 2.026 0.460 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.977 0.559 2.429 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.284 2.078 -0.364 1.00 0.00 C ATOM 0 H ILE A 31 5.826 4.422 1.767 1.00 0.00 H new ATOM 0 HA ILE A 31 3.454 2.794 2.088 1.00 0.00 H new ATOM 0 HB ILE A 31 6.376 2.183 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.171 2.904 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.146 1.153 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.689 -0.174 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.949 0.509 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.986 0.341 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.531 2.117 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.688 1.188 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.714 2.966 -0.092 1.00 0.00 H new ATOM 520 N GLU A 32 5.233 3.634 4.763 1.00 0.00 N ATOM 521 CA GLU A 32 5.158 3.754 6.221 1.00 0.00 C ATOM 522 C GLU A 32 3.849 4.427 6.645 1.00 0.00 C ATOM 523 O GLU A 32 3.140 3.929 7.524 1.00 0.00 O ATOM 524 CB GLU A 32 6.389 4.517 6.742 1.00 0.00 C ATOM 525 CG GLU A 32 6.167 5.076 8.154 1.00 0.00 C ATOM 526 CD GLU A 32 7.471 5.396 8.873 1.00 0.00 C ATOM 527 OE1 GLU A 32 8.137 6.395 8.516 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.792 4.638 9.820 1.00 0.00 O ATOM 0 H GLU A 32 6.080 4.037 4.363 1.00 0.00 H new ATOM 0 HA GLU A 32 5.162 2.758 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.252 3.851 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.623 5.336 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.561 5.980 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.601 4.353 8.741 1.00 0.00 H new ATOM 535 N GLN A 33 3.520 5.565 6.033 1.00 0.00 N ATOM 536 CA GLN A 33 2.311 6.280 6.381 1.00 0.00 C ATOM 537 C GLN A 33 1.095 5.406 6.085 1.00 0.00 C ATOM 538 O GLN A 33 0.151 5.391 6.864 1.00 0.00 O ATOM 539 CB GLN A 33 2.250 7.673 5.745 1.00 0.00 C ATOM 540 CG GLN A 33 1.768 7.667 4.299 1.00 0.00 C ATOM 541 CD GLN A 33 1.534 9.078 3.781 1.00 0.00 C ATOM 542 OE1 GLN A 33 0.456 9.642 3.960 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.508 9.718 3.173 1.00 0.00 N ATOM 0 H GLN A 33 4.076 6.003 5.299 1.00 0.00 H new ATOM 0 HA GLN A 33 2.312 6.479 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.587 8.304 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.241 8.125 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.505 7.166 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.844 7.094 4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.405 9.256 3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.367 10.676 2.853 1.00 0.00 H new ATOM 552 N LEU A 34 1.101 4.662 4.978 1.00 0.00 N ATOM 553 CA LEU A 34 -0.023 3.839 4.589 1.00 0.00 C ATOM 554 C LEU A 34 -0.232 2.759 5.625 1.00 0.00 C ATOM 555 O LEU A 34 -1.360 2.528 6.045 1.00 0.00 O ATOM 556 CB LEU A 34 0.270 3.212 3.221 1.00 0.00 C ATOM 557 CG LEU A 34 -0.525 3.940 2.142 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.022 3.573 0.765 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.015 3.592 2.170 1.00 0.00 C ATOM 0 H LEU A 34 1.890 4.620 4.332 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.927 4.444 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.336 3.272 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.005 2.155 3.230 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.419 5.006 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.548 4.095 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.070 3.865 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.065 2.497 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.531 4.139 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.142 2.521 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.435 3.868 3.137 1.00 0.00 H new ATOM 571 N GLU A 35 0.857 2.124 6.035 1.00 0.00 N ATOM 572 CA GLU A 35 0.854 1.017 6.978 1.00 0.00 C ATOM 573 C GLU A 35 0.403 1.447 8.378 1.00 0.00 C ATOM 574 O GLU A 35 -0.303 0.685 9.047 1.00 0.00 O ATOM 575 CB GLU A 35 2.205 0.298 6.945 1.00 0.00 C ATOM 576 CG GLU A 35 2.327 -0.441 5.599 1.00 0.00 C ATOM 577 CD GLU A 35 3.604 -1.257 5.442 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.405 -1.417 6.389 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.799 -1.842 4.358 1.00 0.00 O ATOM 0 H GLU A 35 1.792 2.372 5.711 1.00 0.00 H new ATOM 0 HA GLU A 35 0.104 0.290 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.019 1.014 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.280 -0.407 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.470 -1.105 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.275 0.289 4.792 1.00 0.00 H new ATOM 586 N ASN A 36 0.706 2.684 8.801 1.00 0.00 N ATOM 587 CA ASN A 36 0.155 3.247 10.027 1.00 0.00 C ATOM 588 C ASN A 36 -1.254 3.827 9.816 1.00 0.00 C ATOM 589 O ASN A 36 -1.923 4.180 10.789 1.00 0.00 O ATOM 590 CB ASN A 36 1.157 4.211 10.686 1.00 0.00 C ATOM 591 CG ASN A 36 0.970 5.703 10.422 1.00 0.00 C ATOM 592 OD1 ASN A 36 -0.007 6.321 10.830 1.00 0.00 O ATOM 593 ND2 ASN A 36 1.942 6.351 9.807 1.00 0.00 N ATOM 0 H ASN A 36 1.336 3.312 8.302 1.00 0.00 H new ATOM 0 HA ASN A 36 0.007 2.441 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.119 4.052 11.764 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.158 3.933 10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.878 7.360 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.757 5.842 9.465 1.00 0.00 H new ATOM 600 N GLY A 37 -1.741 3.853 8.570 1.00 0.00 N ATOM 601 CA GLY A 37 -3.089 4.228 8.154 1.00 0.00 C ATOM 602 C GLY A 37 -3.239 5.715 7.839 1.00 0.00 C ATOM 603 O GLY A 37 -4.345 6.191 7.582 1.00 0.00 O ATOM 0 H GLY A 37 -1.159 3.594 7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.363 3.649 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.792 3.959 8.943 1.00 0.00 H new ATOM 607 N LYS A 38 -2.143 6.472 7.842 1.00 0.00 N ATOM 608 CA LYS A 38 -2.091 7.909 7.706 1.00 0.00 C ATOM 609 C LYS A 38 -2.370 8.348 6.265 1.00 0.00 C ATOM 610 O LYS A 38 -2.709 9.515 6.068 1.00 0.00 O ATOM 611 CB LYS A 38 -0.713 8.282 8.268 1.00 0.00 C ATOM 612 CG LYS A 38 -0.160 9.662 7.983 1.00 0.00 C ATOM 613 CD LYS A 38 -1.046 10.753 8.587 1.00 0.00 C ATOM 614 CE LYS A 38 -0.287 12.049 8.865 1.00 0.00 C ATOM 615 NZ LYS A 38 -1.045 12.913 9.792 1.00 0.00 N ATOM 0 H LYS A 38 -1.214 6.063 7.947 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.868 8.441 8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.753 8.159 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.005 7.554 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.848 9.743 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.082 9.809 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.872 10.961 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.482 10.387 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.690 11.819 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.110 12.579 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.510 13.788 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.967 13.148 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.192 12.412 10.691 1.00 0.00 H new ATOM 629 N ALA A 39 -2.322 7.461 5.258 1.00 0.00 N ATOM 630 CA ALA A 39 -3.003 7.722 4.002 1.00 0.00 C ATOM 631 C ALA A 39 -4.241 6.835 3.924 1.00 0.00 C ATOM 632 O ALA A 39 -4.166 5.728 3.394 1.00 0.00 O ATOM 633 CB ALA A 39 -2.067 7.508 2.822 1.00 0.00 C ATOM 0 H ALA A 39 -1.823 6.572 5.297 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.318 8.765 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.601 7.710 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.216 8.184 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.713 6.477 2.821 1.00 0.00 H new ATOM 639 N LYS A 40 -5.387 7.306 4.428 1.00 0.00 N ATOM 640 CA LYS A 40 -6.652 6.616 4.169 1.00 0.00 C ATOM 641 C LYS A 40 -6.933 6.499 2.681 1.00 0.00 C ATOM 642 O LYS A 40 -7.386 5.459 2.225 1.00 0.00 O ATOM 643 CB LYS A 40 -7.833 7.231 4.934 1.00 0.00 C ATOM 644 CG LYS A 40 -9.093 6.342 4.938 1.00 0.00 C ATOM 645 CD LYS A 40 -8.830 4.849 5.192 1.00 0.00 C ATOM 646 CE LYS A 40 -10.102 4.112 5.626 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.088 3.953 4.535 1.00 0.00 N ATOM 0 H LYS A 40 -5.464 8.144 5.005 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.537 5.604 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.529 7.422 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.080 8.196 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.778 6.711 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.599 6.449 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.436 4.390 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.066 4.740 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.831 3.128 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.566 4.656 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.924 3.448 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.373 4.890 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.661 3.409 3.758 1.00 0.00 H new ATOM 661 N ARG A 41 -6.717 7.563 1.915 1.00 0.00 N ATOM 662 CA ARG A 41 -6.782 7.530 0.475 1.00 0.00 C ATOM 663 C ARG A 41 -5.510 8.199 -0.029 1.00 0.00 C ATOM 664 O ARG A 41 -5.438 9.429 -0.019 1.00 0.00 O ATOM 665 CB ARG A 41 -8.115 8.081 -0.058 1.00 0.00 C ATOM 666 CG ARG A 41 -9.222 8.427 0.960 1.00 0.00 C ATOM 667 CD ARG A 41 -9.026 9.794 1.623 1.00 0.00 C ATOM 668 NE ARG A 41 -9.547 10.851 0.751 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.500 12.167 0.960 1.00 0.00 C ATOM 670 NH1 ARG A 41 -8.774 12.674 1.950 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.211 12.956 0.171 1.00 0.00 N ATOM 0 H ARG A 41 -6.489 8.483 2.292 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.799 6.515 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.897 8.982 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.522 7.350 -0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.188 8.410 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.251 7.657 1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.539 9.818 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.968 9.963 1.822 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.996 10.545 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.243 12.054 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.747 13.683 2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.778 12.554 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.193 13.966 0.310 1.00 0.00 H new ATOM 685 N PRO A 42 -4.454 7.428 -0.341 1.00 0.00 N ATOM 686 CA PRO A 42 -3.246 8.001 -0.915 1.00 0.00 C ATOM 687 C PRO A 42 -3.554 8.504 -2.327 1.00 0.00 C ATOM 688 O PRO A 42 -4.381 7.916 -3.023 1.00 0.00 O ATOM 689 CB PRO A 42 -2.237 6.851 -0.953 1.00 0.00 C ATOM 690 CG PRO A 42 -3.116 5.613 -1.113 1.00 0.00 C ATOM 691 CD PRO A 42 -4.396 5.969 -0.356 1.00 0.00 C ATOM 0 HA PRO A 42 -2.861 8.845 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.538 6.957 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.644 6.807 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.319 5.400 -2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.638 4.727 -0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.272 5.547 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.376 5.568 0.657 1.00 0.00 H new ATOM 699 N ARG A 43 -2.825 9.519 -2.801 1.00 0.00 N ATOM 700 CA ARG A 43 -3.000 10.025 -4.164 1.00 0.00 C ATOM 701 C ARG A 43 -2.881 8.910 -5.206 1.00 0.00 C ATOM 702 O ARG A 43 -3.725 8.782 -6.092 1.00 0.00 O ATOM 703 CB ARG A 43 -2.039 11.197 -4.434 1.00 0.00 C ATOM 704 CG ARG A 43 -0.527 10.907 -4.344 1.00 0.00 C ATOM 705 CD ARG A 43 0.270 12.137 -4.784 1.00 0.00 C ATOM 706 NE ARG A 43 1.722 11.884 -4.830 1.00 0.00 N ATOM 707 CZ ARG A 43 2.596 12.470 -5.659 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.209 13.366 -6.560 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.880 12.158 -5.578 1.00 0.00 N ATOM 0 H ARG A 43 -2.109 10.005 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.015 10.411 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.250 11.583 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.272 11.994 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.260 10.637 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.274 10.055 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.072 12.453 -5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.070 12.960 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 43 2.095 11.201 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.225 13.623 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.896 13.797 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.197 11.476 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.553 12.599 -6.205 1.00 0.00 H new ATOM 723 N PHE A 44 -1.865 8.069 -5.034 1.00 0.00 N ATOM 724 CA PHE A 44 -1.391 7.051 -5.956 1.00 0.00 C ATOM 725 C PHE A 44 -2.121 5.706 -5.785 1.00 0.00 C ATOM 726 O PHE A 44 -1.653 4.699 -6.315 1.00 0.00 O ATOM 727 CB PHE A 44 0.128 6.925 -5.725 1.00 0.00 C ATOM 728 CG PHE A 44 0.493 6.653 -4.275 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.272 5.376 -3.742 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.995 7.670 -3.437 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.527 5.112 -2.391 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.249 7.408 -2.077 1.00 0.00 C ATOM 733 CZ PHE A 44 1.006 6.126 -1.548 1.00 0.00 C ATOM 0 H PHE A 44 -1.311 8.086 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.603 7.343 -6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.518 6.120 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.616 7.844 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.099 4.587 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.185 8.654 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.354 4.122 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.631 8.191 -1.439 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.187 5.925 -0.502 1.00 0.00 H new ATOM 743 N LEU A 45 -3.233 5.646 -5.035 1.00 0.00 N ATOM 744 CA LEU A 45 -3.966 4.413 -4.701 1.00 0.00 C ATOM 745 C LEU A 45 -4.075 3.409 -5.866 1.00 0.00 C ATOM 746 O LEU A 45 -3.717 2.253 -5.643 1.00 0.00 O ATOM 747 CB LEU A 45 -5.349 4.761 -4.091 1.00 0.00 C ATOM 748 CG LEU A 45 -5.837 3.865 -2.931 1.00 0.00 C ATOM 749 CD1 LEU A 45 -7.169 4.390 -2.374 1.00 0.00 C ATOM 750 CD2 LEU A 45 -5.973 2.415 -3.314 1.00 0.00 C ATOM 0 H LEU A 45 -3.660 6.480 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.374 3.890 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.315 5.791 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.092 4.723 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.068 3.914 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.500 3.748 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.034 5.407 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.920 4.388 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.319 1.842 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.693 2.319 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.006 2.032 -3.639 1.00 0.00 H new ATOM 762 N PRO A 46 -4.500 3.774 -7.095 1.00 0.00 N ATOM 763 CA PRO A 46 -4.639 2.802 -8.178 1.00 0.00 C ATOM 764 C PRO A 46 -3.308 2.219 -8.649 1.00 0.00 C ATOM 765 O PRO A 46 -3.286 1.042 -9.020 1.00 0.00 O ATOM 766 CB PRO A 46 -5.371 3.532 -9.307 1.00 0.00 C ATOM 767 CG PRO A 46 -4.984 4.986 -9.073 1.00 0.00 C ATOM 768 CD PRO A 46 -4.953 5.082 -7.551 1.00 0.00 C ATOM 0 HA PRO A 46 -5.197 1.933 -7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.053 3.181 -10.289 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.450 3.386 -9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.016 5.224 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.710 5.673 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.277 5.870 -7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.939 5.319 -7.151 1.00 0.00 H new ATOM 776 N GLU A 47 -2.223 2.997 -8.621 1.00 0.00 N ATOM 777 CA GLU A 47 -0.892 2.524 -8.970 1.00 0.00 C ATOM 778 C GLU A 47 -0.423 1.547 -7.903 1.00 0.00 C ATOM 779 O GLU A 47 0.026 0.457 -8.253 1.00 0.00 O ATOM 780 CB GLU A 47 0.101 3.694 -9.110 1.00 0.00 C ATOM 781 CG GLU A 47 0.108 4.310 -10.520 1.00 0.00 C ATOM 782 CD GLU A 47 1.494 4.227 -11.170 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.997 3.105 -11.406 1.00 0.00 O ATOM 784 OE2 GLU A 47 2.103 5.277 -11.459 1.00 0.00 O ATOM 0 H GLU A 47 -2.250 3.981 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.935 2.022 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.151 4.466 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.104 3.343 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.619 3.793 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.205 5.353 -10.463 1.00 0.00 H new ATOM 791 N LEU A 48 -0.551 1.889 -6.611 1.00 0.00 N ATOM 792 CA LEU A 48 -0.105 0.978 -5.564 1.00 0.00 C ATOM 793 C LEU A 48 -0.913 -0.298 -5.598 1.00 0.00 C ATOM 794 O LEU A 48 -0.346 -1.368 -5.427 1.00 0.00 O ATOM 795 CB LEU A 48 -0.174 1.610 -4.175 1.00 0.00 C ATOM 796 CG LEU A 48 0.529 0.709 -3.128 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.466 1.498 -2.217 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.470 -0.038 -2.241 1.00 0.00 C ATOM 0 H LEU A 48 -0.950 2.767 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 48 0.942 0.749 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.299 2.592 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.215 1.762 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 48 1.106 -0.006 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.933 0.821 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.237 1.980 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.897 2.257 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.071 -0.656 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.090 0.681 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.104 -0.672 -2.861 1.00 0.00 H new ATOM 810 N ALA A 49 -2.220 -0.195 -5.821 1.00 0.00 N ATOM 811 CA ALA A 49 -3.066 -1.371 -5.901 1.00 0.00 C ATOM 812 C ALA A 49 -2.613 -2.288 -7.029 1.00 0.00 C ATOM 813 O ALA A 49 -2.320 -3.455 -6.773 1.00 0.00 O ATOM 814 CB ALA A 49 -4.535 -0.963 -6.077 1.00 0.00 C ATOM 0 H ALA A 49 -2.711 0.690 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.977 -1.925 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.156 -1.857 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.849 -0.358 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.645 -0.384 -6.994 1.00 0.00 H new ATOM 820 N ARG A 50 -2.510 -1.778 -8.257 1.00 0.00 N ATOM 821 CA ARG A 50 -2.112 -2.588 -9.393 1.00 0.00 C ATOM 822 C ARG A 50 -0.696 -3.124 -9.204 1.00 0.00 C ATOM 823 O ARG A 50 -0.471 -4.294 -9.504 1.00 0.00 O ATOM 824 CB ARG A 50 -2.304 -1.758 -10.665 1.00 0.00 C ATOM 825 CG ARG A 50 -2.025 -2.537 -11.959 1.00 0.00 C ATOM 826 CD ARG A 50 -0.592 -2.366 -12.482 1.00 0.00 C ATOM 827 NE ARG A 50 -0.346 -0.961 -12.841 1.00 0.00 N ATOM 828 CZ ARG A 50 0.551 -0.138 -12.295 1.00 0.00 C ATOM 829 NH1 ARG A 50 1.538 -0.596 -11.534 1.00 0.00 N ATOM 830 NH2 ARG A 50 0.430 1.160 -12.506 1.00 0.00 N ATOM 0 H ARG A 50 -2.699 -0.802 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.738 -3.476 -9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.327 -1.381 -10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.646 -0.890 -10.625 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.215 -3.596 -11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.725 -2.210 -12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.121 -2.685 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.436 -3.004 -13.352 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.923 -0.574 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.622 -1.597 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.212 0.053 -11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.338 1.515 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.104 1.808 -12.098 1.00 0.00 H new ATOM 844 N ALA A 51 0.251 -2.326 -8.702 1.00 0.00 N ATOM 845 CA ALA A 51 1.603 -2.800 -8.449 1.00 0.00 C ATOM 846 C ALA A 51 1.647 -3.805 -7.293 1.00 0.00 C ATOM 847 O ALA A 51 2.554 -4.633 -7.259 1.00 0.00 O ATOM 848 CB ALA A 51 2.562 -1.634 -8.174 1.00 0.00 C ATOM 0 H ALA A 51 0.099 -1.346 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 51 1.931 -3.312 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.563 -2.022 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.584 -0.970 -9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.220 -1.080 -7.299 1.00 0.00 H new ATOM 854 N LEU A 52 0.729 -3.745 -6.321 1.00 0.00 N ATOM 855 CA LEU A 52 0.636 -4.734 -5.250 1.00 0.00 C ATOM 856 C LEU A 52 -0.095 -5.982 -5.732 1.00 0.00 C ATOM 857 O LEU A 52 0.102 -7.046 -5.153 1.00 0.00 O ATOM 858 CB LEU A 52 -0.027 -4.112 -4.022 1.00 0.00 C ATOM 859 CG LEU A 52 0.099 -4.886 -2.702 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.526 -5.340 -2.341 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.376 -3.952 -1.581 1.00 0.00 C ATOM 0 H LEU A 52 0.029 -3.005 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 52 1.639 -5.047 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.395 -3.118 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.087 -3.979 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.494 -5.793 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.508 -5.877 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.908 -5.997 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.174 -4.468 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.302 -4.466 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.248 -3.059 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.413 -3.666 -1.760 1.00 0.00 H new ATOM 873 N GLY A 53 -0.930 -5.873 -6.764 1.00 0.00 N ATOM 874 CA GLY A 53 -1.730 -6.946 -7.331 1.00 0.00 C ATOM 875 C GLY A 53 -3.044 -7.109 -6.575 1.00 0.00 C ATOM 876 O GLY A 53 -3.457 -8.236 -6.301 1.00 0.00 O ATOM 0 H GLY A 53 -1.071 -4.987 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.934 -6.736 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.169 -7.880 -7.296 1.00 0.00 H new ATOM 880 N VAL A 54 -3.675 -6.002 -6.183 1.00 0.00 N ATOM 881 CA VAL A 54 -5.006 -5.974 -5.578 1.00 0.00 C ATOM 882 C VAL A 54 -5.819 -4.845 -6.235 1.00 0.00 C ATOM 883 O VAL A 54 -5.289 -4.103 -7.069 1.00 0.00 O ATOM 884 CB VAL A 54 -4.894 -5.845 -4.042 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.992 -6.915 -3.411 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.375 -4.470 -3.621 1.00 0.00 C ATOM 0 H VAL A 54 -3.262 -5.074 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.538 -6.908 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.911 -5.987 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.955 -6.769 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.393 -7.904 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.986 -6.832 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.312 -4.422 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.386 -4.307 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.057 -3.699 -3.979 1.00 0.00 H new ATOM 896 N ALA A 55 -7.103 -4.711 -5.900 1.00 0.00 N ATOM 897 CA ALA A 55 -7.937 -3.598 -6.348 1.00 0.00 C ATOM 898 C ALA A 55 -7.763 -2.387 -5.418 1.00 0.00 C ATOM 899 O ALA A 55 -7.404 -2.539 -4.252 1.00 0.00 O ATOM 900 CB ALA A 55 -9.395 -4.078 -6.381 1.00 0.00 C ATOM 0 H ALA A 55 -7.596 -5.377 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.639 -3.277 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.039 -3.263 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.486 -4.917 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.696 -4.395 -5.383 1.00 0.00 H new ATOM 906 N VAL A 56 -8.115 -1.185 -5.879 1.00 0.00 N ATOM 907 CA VAL A 56 -8.403 -0.023 -5.040 1.00 0.00 C ATOM 908 C VAL A 56 -9.580 -0.373 -4.142 1.00 0.00 C ATOM 909 O VAL A 56 -9.576 0.021 -2.984 1.00 0.00 O ATOM 910 CB VAL A 56 -8.776 1.170 -5.960 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.293 2.394 -5.194 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.624 1.576 -6.889 1.00 0.00 C ATOM 0 H VAL A 56 -8.210 -0.989 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.540 0.248 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.598 0.800 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.534 3.189 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.188 2.122 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.525 2.742 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.937 2.414 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.761 1.870 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.355 0.733 -7.525 1.00 0.00 H new ATOM 922 N ASP A 57 -10.564 -1.130 -4.633 1.00 0.00 N ATOM 923 CA ASP A 57 -11.687 -1.566 -3.808 1.00 0.00 C ATOM 924 C ASP A 57 -11.200 -2.503 -2.703 1.00 0.00 C ATOM 925 O ASP A 57 -11.556 -2.330 -1.540 1.00 0.00 O ATOM 926 CB ASP A 57 -12.747 -2.240 -4.688 1.00 0.00 C ATOM 927 CG ASP A 57 -14.087 -2.391 -3.968 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.152 -3.020 -2.890 1.00 0.00 O ATOM 929 OD2 ASP A 57 -15.100 -1.881 -4.503 1.00 0.00 O ATOM 0 H ASP A 57 -10.603 -1.453 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.143 -0.699 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.889 -1.654 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.389 -3.223 -4.996 1.00 0.00 H new ATOM 934 N TRP A 58 -10.296 -3.435 -3.026 1.00 0.00 N ATOM 935 CA TRP A 58 -9.642 -4.254 -2.013 1.00 0.00 C ATOM 936 C TRP A 58 -8.858 -3.373 -1.053 1.00 0.00 C ATOM 937 O TRP A 58 -8.856 -3.620 0.145 1.00 0.00 O ATOM 938 CB TRP A 58 -8.689 -5.268 -2.638 1.00 0.00 C ATOM 939 CG TRP A 58 -8.079 -6.225 -1.660 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.593 -7.433 -1.376 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.853 -6.130 -0.869 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.813 -8.075 -0.443 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.694 -7.341 -0.133 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.844 -5.158 -0.712 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.582 -7.591 0.683 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.706 -5.403 0.085 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.576 -6.618 0.779 1.00 0.00 C ATOM 0 H TRP A 58 -10.004 -3.637 -3.982 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.424 -4.793 -1.478 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.228 -5.836 -3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.890 -4.731 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.490 -7.842 -1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.037 -8.982 -0.033 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.944 -4.206 -1.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.501 -8.519 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.932 -4.654 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.702 -6.803 1.386 1.00 0.00 H new ATOM 958 N LEU A 59 -8.181 -2.344 -1.547 1.00 0.00 N ATOM 959 CA LEU A 59 -7.448 -1.466 -0.669 1.00 0.00 C ATOM 960 C LEU A 59 -8.406 -0.755 0.278 1.00 0.00 C ATOM 961 O LEU A 59 -8.291 -0.945 1.487 1.00 0.00 O ATOM 962 CB LEU A 59 -6.463 -0.593 -1.457 1.00 0.00 C ATOM 963 CG LEU A 59 -5.085 -1.287 -1.539 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.092 -0.431 -2.313 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.451 -1.592 -0.173 1.00 0.00 C ATOM 0 H LEU A 59 -8.129 -2.106 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.793 -2.031 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.848 -0.412 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.361 0.379 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.286 -2.232 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.129 -0.940 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.463 -0.268 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.971 0.529 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.487 -2.079 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.308 -0.662 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.108 -2.252 0.394 1.00 0.00 H new ATOM 977 N LEU A 60 -9.399 -0.036 -0.231 1.00 0.00 N ATOM 978 CA LEU A 60 -10.351 0.728 0.562 1.00 0.00 C ATOM 979 C LEU A 60 -11.100 -0.175 1.538 1.00 0.00 C ATOM 980 O LEU A 60 -11.096 0.076 2.747 1.00 0.00 O ATOM 981 CB LEU A 60 -11.330 1.436 -0.386 1.00 0.00 C ATOM 982 CG LEU A 60 -10.707 2.655 -1.101 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.653 3.149 -2.193 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.414 3.819 -0.144 1.00 0.00 C ATOM 0 H LEU A 60 -9.568 0.033 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.814 1.470 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.681 0.725 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.203 1.761 0.180 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.759 2.322 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.211 4.009 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.820 2.352 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.604 3.439 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.977 4.647 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.342 4.146 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.715 3.491 0.625 1.00 0.00 H new ATOM 996 N ASN A 61 -11.745 -1.211 1.006 1.00 0.00 N ATOM 997 CA ASN A 61 -12.710 -2.059 1.694 1.00 0.00 C ATOM 998 C ASN A 61 -12.060 -3.336 2.212 1.00 0.00 C ATOM 999 O ASN A 61 -12.191 -3.629 3.398 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.878 -2.400 0.757 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.586 -1.145 0.266 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.054 -0.335 1.067 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.633 -0.926 -1.035 1.00 0.00 N ATOM 0 H ASN A 61 -11.600 -1.494 0.037 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.090 -1.506 2.553 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.507 -2.967 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.590 -3.039 1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.063 -0.073 -1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.240 -1.610 -1.682 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.349 -4.089 1.369 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.681 -5.326 1.770 1.00 0.00 C ATOM 1012 C GLY A 62 -11.559 -6.543 1.575 1.00 0.00 C ATOM 1013 O GLY A 62 -11.826 -7.264 2.538 1.00 0.00 O ATOM 0 H GLY A 62 -11.221 -3.855 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.765 -5.445 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.389 -5.255 2.818 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.958 -6.783 0.323 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.839 -7.873 -0.083 1.00 0.00 C ATOM 1019 C ALA A 63 -14.052 -7.968 0.843 1.00 0.00 C ATOM 1020 O ALA A 63 -14.659 -6.940 1.156 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.043 -9.183 -0.149 1.00 0.00 C ATOM 0 H ALA A 63 -11.664 -6.201 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.230 -7.673 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.704 -9.995 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.235 -9.082 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.624 -9.404 0.833 1.00 0.00 H new