USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -26:sc= 0.132 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.0641 X(o=0.068,f=0.094) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.142 USER MOD Set 2.2: A 33 SER OG : rot 156:sc= 0.113 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 7 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 8 GLN : amide:sc= -1.05 K(o=-1,f=-0.25) USER MOD Single : A 13 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.32) USER MOD Single : A 26 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.34) USER MOD Single : A 37 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.22) USER MOD Single : A 45 SER OG : rot 160:sc= -0.579 USER MOD Single : A 48 SER OG : rot -15:sc= 1.07 USER MOD Single : A 66 MET CE :methyl -159:sc= -0.128 (180deg=-1.18) USER MOD Single : A 68 LYS NZ :NH3+ -123:sc= -1.25 (180deg=-3.39!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -67:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.817 -10.735 12.758 1.00 0.00 N ATOM 2 CA GLN A 6 1.839 -9.658 12.866 1.00 0.00 C ATOM 3 C GLN A 6 2.496 -8.383 13.388 1.00 0.00 C ATOM 4 O GLN A 6 2.012 -7.278 13.142 1.00 0.00 O ATOM 5 CB GLN A 6 0.706 -10.075 13.806 1.00 0.00 C ATOM 6 CG GLN A 6 1.284 -10.428 15.178 1.00 0.00 C ATOM 7 CD GLN A 6 0.166 -10.880 16.113 1.00 0.00 C ATOM 8 OE1 GLN A 6 -0.569 -11.814 15.797 1.00 0.00 O ATOM 9 NE2 GLN A 6 -0.005 -10.268 17.252 1.00 0.00 N ATOM 0 HA GLN A 6 1.434 -9.461 11.874 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.018 -9.265 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.173 -10.931 13.393 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.027 -11.219 15.076 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.795 -9.563 15.600 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.606 -9.494 17.512 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.750 -10.564 17.883 1.00 0.00 H new ATOM 18 N GLN A 7 3.599 -8.545 14.111 1.00 0.00 N ATOM 19 CA GLN A 7 4.312 -7.399 14.665 1.00 0.00 C ATOM 20 C GLN A 7 4.578 -6.358 13.580 1.00 0.00 C ATOM 21 O GLN A 7 4.128 -5.217 13.677 1.00 0.00 O ATOM 22 CB GLN A 7 5.643 -7.859 15.281 1.00 0.00 C ATOM 23 CG GLN A 7 5.519 -7.936 16.807 1.00 0.00 C ATOM 24 CD GLN A 7 6.886 -8.206 17.426 1.00 0.00 C ATOM 25 OE1 GLN A 7 7.282 -9.361 17.578 1.00 0.00 O ATOM 26 NE2 GLN A 7 7.634 -7.202 17.793 1.00 0.00 N ATOM 0 H GLN A 7 4.016 -9.451 14.326 1.00 0.00 H new ATOM 0 HA GLN A 7 3.693 -6.946 15.439 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.920 -8.835 14.881 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.438 -7.165 15.008 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.113 -7.002 17.195 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.822 -8.727 17.084 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.303 -6.246 17.666 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.550 -7.373 18.207 1.00 0.00 H new ATOM 35 N GLN A 8 5.313 -6.758 12.549 1.00 0.00 N ATOM 36 CA GLN A 8 5.634 -5.848 11.456 1.00 0.00 C ATOM 37 C GLN A 8 4.381 -5.125 10.971 1.00 0.00 C ATOM 38 O GLN A 8 4.438 -3.958 10.587 1.00 0.00 O ATOM 39 CB GLN A 8 6.260 -6.628 10.295 1.00 0.00 C ATOM 40 CG GLN A 8 7.698 -7.013 10.652 1.00 0.00 C ATOM 41 CD GLN A 8 8.615 -5.805 10.502 1.00 0.00 C ATOM 42 OE1 GLN A 8 9.254 -5.632 9.463 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.723 -4.951 11.484 1.00 0.00 N ATOM 0 H GLN A 8 5.695 -7.698 12.447 1.00 0.00 H new ATOM 0 HA GLN A 8 6.345 -5.107 11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.674 -7.523 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.249 -6.022 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.740 -7.386 11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.038 -7.821 10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.194 -5.094 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.336 -4.141 11.391 1.00 0.00 H new ATOM 52 N ALA A 9 3.252 -5.827 10.988 1.00 0.00 N ATOM 53 CA ALA A 9 1.994 -5.238 10.543 1.00 0.00 C ATOM 54 C ALA A 9 1.564 -4.111 11.476 1.00 0.00 C ATOM 55 O ALA A 9 1.539 -2.945 11.083 1.00 0.00 O ATOM 56 CB ALA A 9 0.904 -6.310 10.496 1.00 0.00 C ATOM 0 H ALA A 9 3.182 -6.795 11.302 1.00 0.00 H new ATOM 0 HA ALA A 9 2.143 -4.826 9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.032 -5.862 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.197 -7.097 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.769 -6.736 11.490 1.00 0.00 H new ATOM 62 N VAL A 10 1.221 -4.465 12.710 1.00 0.00 N ATOM 63 CA VAL A 10 0.789 -3.468 13.683 1.00 0.00 C ATOM 64 C VAL A 10 1.878 -2.421 13.897 1.00 0.00 C ATOM 65 O VAL A 10 1.605 -1.220 13.895 1.00 0.00 O ATOM 66 CB VAL A 10 0.448 -4.141 15.016 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.647 -4.956 15.502 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.105 -3.071 16.055 1.00 0.00 C ATOM 0 H VAL A 10 1.233 -5.424 13.058 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.102 -2.974 13.295 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.407 -4.803 14.878 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.402 -5.434 16.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.891 -5.720 14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.504 -4.296 15.639 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.138 -3.550 17.004 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.960 -2.409 16.191 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.752 -2.492 15.711 1.00 0.00 H new ATOM 78 N LEU A 11 3.113 -2.879 14.077 1.00 0.00 N ATOM 79 CA LEU A 11 4.231 -1.965 14.287 1.00 0.00 C ATOM 80 C LEU A 11 4.271 -0.915 13.182 1.00 0.00 C ATOM 81 O LEU A 11 4.186 0.283 13.448 1.00 0.00 O ATOM 82 CB LEU A 11 5.552 -2.739 14.303 1.00 0.00 C ATOM 83 CG LEU A 11 5.657 -3.576 15.584 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.901 -4.464 15.505 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.764 -2.653 16.807 1.00 0.00 C ATOM 0 H LEU A 11 3.364 -3.868 14.082 1.00 0.00 H new ATOM 0 HA LEU A 11 4.093 -1.469 15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.613 -3.388 13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.390 -2.045 14.243 1.00 0.00 H new ATOM 0 HG LEU A 11 4.766 -4.196 15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.980 -5.061 16.413 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.822 -5.125 14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.788 -3.839 15.403 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.838 -3.256 17.712 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.652 -2.027 16.714 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.878 -2.020 16.864 1.00 0.00 H new ATOM 97 N GLU A 12 4.400 -1.374 11.941 1.00 0.00 N ATOM 98 CA GLU A 12 4.452 -0.462 10.804 1.00 0.00 C ATOM 99 C GLU A 12 3.236 0.459 10.801 1.00 0.00 C ATOM 100 O GLU A 12 3.365 1.672 10.635 1.00 0.00 O ATOM 101 CB GLU A 12 4.496 -1.255 9.496 1.00 0.00 C ATOM 102 CG GLU A 12 5.863 -1.931 9.354 1.00 0.00 C ATOM 103 CD GLU A 12 6.912 -0.900 8.948 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.700 -0.228 7.953 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.913 -0.800 9.640 1.00 0.00 O ATOM 0 H GLU A 12 4.470 -2.362 11.698 1.00 0.00 H new ATOM 0 HA GLU A 12 5.354 0.144 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.705 -2.005 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.317 -0.592 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.146 -2.399 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.811 -2.723 8.607 1.00 0.00 H new ATOM 112 N GLN A 13 2.056 -0.123 10.985 1.00 0.00 N ATOM 113 CA GLN A 13 0.827 0.662 11.002 1.00 0.00 C ATOM 114 C GLN A 13 0.928 1.786 12.027 1.00 0.00 C ATOM 115 O GLN A 13 0.549 2.924 11.753 1.00 0.00 O ATOM 116 CB GLN A 13 -0.366 -0.237 11.339 1.00 0.00 C ATOM 117 CG GLN A 13 -1.670 0.548 11.161 1.00 0.00 C ATOM 118 CD GLN A 13 -1.860 0.923 9.696 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.408 0.140 8.919 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.438 2.082 9.268 1.00 0.00 N ATOM 0 H GLN A 13 1.924 -1.125 11.123 1.00 0.00 H new ATOM 0 HA GLN A 13 0.681 1.098 10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.367 -1.114 10.692 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.284 -0.597 12.364 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.514 -0.051 11.503 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.648 1.448 11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.984 2.729 9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.562 2.340 8.289 1.00 0.00 H new ATOM 129 N GLU A 14 1.447 1.460 13.207 1.00 0.00 N ATOM 130 CA GLU A 14 1.598 2.456 14.261 1.00 0.00 C ATOM 131 C GLU A 14 2.561 3.551 13.816 1.00 0.00 C ATOM 132 O GLU A 14 2.314 4.737 14.035 1.00 0.00 O ATOM 133 CB GLU A 14 2.126 1.793 15.537 1.00 0.00 C ATOM 134 CG GLU A 14 1.006 0.983 16.195 1.00 0.00 C ATOM 135 CD GLU A 14 1.511 0.350 17.487 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.127 -0.699 17.409 1.00 0.00 O ATOM 137 OE2 GLU A 14 1.274 0.926 18.537 1.00 0.00 O ATOM 0 H GLU A 14 1.767 0.524 13.455 1.00 0.00 H new ATOM 0 HA GLU A 14 0.623 2.900 14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.968 1.143 15.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.494 2.552 16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.154 1.629 16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.657 0.208 15.513 1.00 0.00 H new ATOM 144 N ARG A 15 3.655 3.143 13.181 1.00 0.00 N ATOM 145 CA ARG A 15 4.647 4.097 12.700 1.00 0.00 C ATOM 146 C ARG A 15 3.997 5.102 11.757 1.00 0.00 C ATOM 147 O ARG A 15 4.254 6.303 11.839 1.00 0.00 O ATOM 148 CB ARG A 15 5.768 3.356 11.961 1.00 0.00 C ATOM 149 CG ARG A 15 6.442 2.352 12.907 1.00 0.00 C ATOM 150 CD ARG A 15 7.649 3.006 13.585 1.00 0.00 C ATOM 151 NE ARG A 15 8.790 3.018 12.676 1.00 0.00 N ATOM 152 CZ ARG A 15 9.422 1.895 12.350 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.028 0.755 12.848 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.438 1.932 11.532 1.00 0.00 N ATOM 0 H ARG A 15 3.876 2.166 12.989 1.00 0.00 H new ATOM 0 HA ARG A 15 5.064 4.628 13.556 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.362 2.836 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.504 4.069 11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.730 2.014 13.660 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.760 1.471 12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.401 4.025 13.883 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.904 2.462 14.494 1.00 0.00 H new ATOM 0 HE ARG A 15 9.108 3.904 12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.234 0.725 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.514 -0.106 12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.747 2.823 11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.923 1.070 11.282 1.00 0.00 H new ATOM 168 N ARG A 16 3.152 4.600 10.863 1.00 0.00 N ATOM 169 CA ARG A 16 2.465 5.458 9.904 1.00 0.00 C ATOM 170 C ARG A 16 1.486 6.382 10.621 1.00 0.00 C ATOM 171 O ARG A 16 1.638 7.604 10.598 1.00 0.00 O ATOM 172 CB ARG A 16 1.703 4.603 8.887 1.00 0.00 C ATOM 173 CG ARG A 16 2.666 3.625 8.199 1.00 0.00 C ATOM 174 CD ARG A 16 3.323 4.308 6.999 1.00 0.00 C ATOM 175 NE ARG A 16 4.291 3.411 6.378 1.00 0.00 N ATOM 176 CZ ARG A 16 4.691 3.594 5.123 1.00 0.00 C ATOM 177 NH1 ARG A 16 4.214 4.587 4.425 1.00 0.00 N ATOM 178 NH2 ARG A 16 5.559 2.778 4.590 1.00 0.00 N ATOM 0 H ARG A 16 2.927 3.608 10.782 1.00 0.00 H new ATOM 0 HA ARG A 16 3.211 6.061 9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.907 4.051 9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.229 5.243 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.429 3.294 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.126 2.736 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.562 4.594 6.272 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.818 5.225 7.319 1.00 0.00 H new ATOM 0 HE ARG A 16 4.668 2.630 6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.534 5.223 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.521 4.728 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.930 2.000 5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.866 2.918 3.627 1.00 0.00 H new ATOM 192 N ASP A 17 0.479 5.789 11.254 1.00 0.00 N ATOM 193 CA ASP A 17 -0.525 6.563 11.974 1.00 0.00 C ATOM 194 C ASP A 17 0.123 7.705 12.751 1.00 0.00 C ATOM 195 O ASP A 17 -0.378 8.831 12.751 1.00 0.00 O ATOM 196 CB ASP A 17 -1.288 5.656 12.940 1.00 0.00 C ATOM 197 CG ASP A 17 -2.539 6.368 13.445 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.393 7.329 14.181 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.624 5.942 13.086 1.00 0.00 O ATOM 0 H ASP A 17 0.337 4.779 11.283 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.217 6.986 11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.565 4.728 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.649 5.386 13.781 1.00 0.00 H new ATOM 204 N ARG A 18 1.235 7.408 13.414 1.00 0.00 N ATOM 205 CA ARG A 18 1.938 8.421 14.195 1.00 0.00 C ATOM 206 C ARG A 18 2.553 9.478 13.282 1.00 0.00 C ATOM 207 O ARG A 18 2.398 10.677 13.517 1.00 0.00 O ATOM 208 CB ARG A 18 3.037 7.761 15.036 1.00 0.00 C ATOM 209 CG ARG A 18 2.413 7.044 16.243 1.00 0.00 C ATOM 210 CD ARG A 18 2.397 7.980 17.456 1.00 0.00 C ATOM 211 NE ARG A 18 1.575 9.154 17.182 1.00 0.00 N ATOM 212 CZ ARG A 18 0.250 9.099 17.262 1.00 0.00 C ATOM 213 NH1 ARG A 18 -0.339 7.982 17.591 1.00 0.00 N ATOM 214 NH2 ARG A 18 -0.463 10.163 17.010 1.00 0.00 N ATOM 0 H ARG A 18 1.666 6.484 13.427 1.00 0.00 H new ATOM 0 HA ARG A 18 1.219 8.908 14.854 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.594 7.049 14.427 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.748 8.514 15.377 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.398 6.728 16.004 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.981 6.143 16.475 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.008 7.451 18.326 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.414 8.289 17.699 1.00 0.00 H new ATOM 0 HE ARG A 18 2.025 10.032 16.925 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.218 7.150 17.787 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.356 7.941 17.652 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.003 11.036 16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.480 10.121 17.071 1.00 0.00 H new ATOM 228 N GLU A 19 3.250 9.031 12.243 1.00 0.00 N ATOM 229 CA GLU A 19 3.881 9.957 11.308 1.00 0.00 C ATOM 230 C GLU A 19 2.830 10.844 10.649 1.00 0.00 C ATOM 231 O GLU A 19 2.967 12.066 10.614 1.00 0.00 O ATOM 232 CB GLU A 19 4.643 9.178 10.233 1.00 0.00 C ATOM 233 CG GLU A 19 5.940 8.622 10.825 1.00 0.00 C ATOM 234 CD GLU A 19 6.945 9.749 11.032 1.00 0.00 C ATOM 235 OE1 GLU A 19 7.539 10.174 10.055 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.107 10.172 12.166 1.00 0.00 O ATOM 0 H GLU A 19 3.392 8.044 12.028 1.00 0.00 H new ATOM 0 HA GLU A 19 4.579 10.586 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.026 8.363 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.867 9.829 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.734 8.129 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.359 7.868 10.159 1.00 0.00 H new ATOM 243 N LEU A 20 1.782 10.217 10.132 1.00 0.00 N ATOM 244 CA LEU A 20 0.708 10.953 9.478 1.00 0.00 C ATOM 245 C LEU A 20 0.104 11.975 10.435 1.00 0.00 C ATOM 246 O LEU A 20 0.164 13.180 10.190 1.00 0.00 O ATOM 247 CB LEU A 20 -0.378 9.980 9.014 1.00 0.00 C ATOM 248 CG LEU A 20 0.234 8.940 8.063 1.00 0.00 C ATOM 249 CD1 LEU A 20 -0.590 7.653 8.111 1.00 0.00 C ATOM 250 CD2 LEU A 20 0.238 9.487 6.633 1.00 0.00 C ATOM 0 H LEU A 20 1.653 9.205 10.152 1.00 0.00 H new ATOM 0 HA LEU A 20 1.119 11.478 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.826 9.482 9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.176 10.524 8.509 1.00 0.00 H new ATOM 0 HG LEU A 20 1.257 8.729 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.154 6.917 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.590 7.259 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.614 7.865 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.673 8.747 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.785 9.702 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.829 10.402 6.595 1.00 0.00 H new ATOM 262 N ALA A 21 -0.474 11.487 11.527 1.00 0.00 N ATOM 263 CA ALA A 21 -1.082 12.369 12.516 1.00 0.00 C ATOM 264 C ALA A 21 -0.136 13.512 12.868 1.00 0.00 C ATOM 265 O ALA A 21 -0.567 14.645 13.079 1.00 0.00 O ATOM 266 CB ALA A 21 -1.425 11.579 13.779 1.00 0.00 C ATOM 0 H ALA A 21 -0.534 10.493 11.749 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.995 12.787 12.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.879 12.245 14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.126 10.782 13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.516 11.146 14.196 1.00 0.00 H new ATOM 272 N LEU A 22 1.157 13.207 12.929 1.00 0.00 N ATOM 273 CA LEU A 22 2.154 14.221 13.257 1.00 0.00 C ATOM 274 C LEU A 22 2.266 15.244 12.132 1.00 0.00 C ATOM 275 O LEU A 22 2.433 16.438 12.380 1.00 0.00 O ATOM 276 CB LEU A 22 3.517 13.560 13.485 1.00 0.00 C ATOM 277 CG LEU A 22 4.477 14.563 14.141 1.00 0.00 C ATOM 278 CD1 LEU A 22 4.303 14.532 15.663 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.921 14.188 13.793 1.00 0.00 C ATOM 0 H LEU A 22 1.536 12.276 12.758 1.00 0.00 H new ATOM 0 HA LEU A 22 1.840 14.731 14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.404 12.682 14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.928 13.216 12.536 1.00 0.00 H new ATOM 0 HG LEU A 22 4.255 15.564 13.771 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.987 15.246 16.122 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.277 14.798 15.917 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.521 13.531 16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.604 14.899 14.258 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.135 13.185 14.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.053 14.213 12.711 1.00 0.00 H new ATOM 291 N ARG A 23 2.173 14.768 10.894 1.00 0.00 N ATOM 292 CA ARG A 23 2.266 15.651 9.738 1.00 0.00 C ATOM 293 C ARG A 23 1.071 16.599 9.692 1.00 0.00 C ATOM 294 O ARG A 23 1.231 17.806 9.511 1.00 0.00 O ATOM 295 CB ARG A 23 2.311 14.821 8.453 1.00 0.00 C ATOM 296 CG ARG A 23 3.680 14.151 8.324 1.00 0.00 C ATOM 297 CD ARG A 23 3.606 13.035 7.280 1.00 0.00 C ATOM 298 NE ARG A 23 2.774 13.451 6.156 1.00 0.00 N ATOM 299 CZ ARG A 23 2.448 12.599 5.190 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.872 11.365 5.238 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.702 12.995 4.195 1.00 0.00 N ATOM 0 H ARG A 23 2.034 13.783 10.667 1.00 0.00 H new ATOM 0 HA ARG A 23 3.179 16.240 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.525 14.066 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.124 15.459 7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.430 14.886 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.989 13.743 9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.608 12.789 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.195 12.132 7.731 1.00 0.00 H new ATOM 0 HE ARG A 23 2.437 14.413 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.453 11.055 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.622 10.711 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.369 13.959 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.452 12.341 3.453 1.00 0.00 H new ATOM 315 N ILE A 24 -0.123 16.043 9.859 1.00 0.00 N ATOM 316 CA ILE A 24 -1.340 16.847 9.836 1.00 0.00 C ATOM 317 C ILE A 24 -1.357 17.826 11.006 1.00 0.00 C ATOM 318 O ILE A 24 -1.797 18.968 10.865 1.00 0.00 O ATOM 319 CB ILE A 24 -2.567 15.936 9.911 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.448 14.838 8.853 1.00 0.00 C ATOM 321 CG2 ILE A 24 -3.832 16.758 9.651 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.658 13.905 8.945 1.00 0.00 C ATOM 0 H ILE A 24 -0.275 15.046 10.011 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.364 17.412 8.904 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.625 15.485 10.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.392 15.281 7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.528 14.273 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.706 16.108 9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.917 17.543 10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.776 17.209 8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.572 13.123 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.693 13.452 9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.571 14.475 8.774 1.00 0.00 H new ATOM 334 N ALA A 25 -0.878 17.372 12.159 1.00 0.00 N ATOM 335 CA ALA A 25 -0.844 18.218 13.347 1.00 0.00 C ATOM 336 C ALA A 25 0.092 19.405 13.134 1.00 0.00 C ATOM 337 O ALA A 25 -0.249 20.544 13.454 1.00 0.00 O ATOM 338 CB ALA A 25 -0.375 17.405 14.554 1.00 0.00 C ATOM 0 H ALA A 25 -0.511 16.430 12.296 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.851 18.593 13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.352 18.044 15.437 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.062 16.576 14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.625 17.014 14.363 1.00 0.00 H new ATOM 344 N GLN A 26 1.273 19.132 12.593 1.00 0.00 N ATOM 345 CA GLN A 26 2.248 20.186 12.342 1.00 0.00 C ATOM 346 C GLN A 26 1.771 21.093 11.211 1.00 0.00 C ATOM 347 O GLN A 26 2.063 22.289 11.195 1.00 0.00 O ATOM 348 CB GLN A 26 3.599 19.571 11.974 1.00 0.00 C ATOM 349 CG GLN A 26 4.198 18.883 13.201 1.00 0.00 C ATOM 350 CD GLN A 26 5.336 17.959 12.780 1.00 0.00 C ATOM 351 OE1 GLN A 26 6.482 18.163 13.180 1.00 0.00 O ATOM 352 NE2 GLN A 26 5.087 16.951 11.990 1.00 0.00 N ATOM 0 H GLN A 26 1.577 18.197 12.321 1.00 0.00 H new ATOM 0 HA GLN A 26 2.358 20.781 13.249 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.474 18.851 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.276 20.345 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.567 19.631 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.428 18.312 13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.136 16.784 11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.843 16.330 11.702 1.00 0.00 H new ATOM 361 N SER A 27 1.034 20.514 10.270 1.00 0.00 N ATOM 362 CA SER A 27 0.519 21.275 9.138 1.00 0.00 C ATOM 363 C SER A 27 -0.639 22.167 9.574 1.00 0.00 C ATOM 364 O SER A 27 -0.618 23.378 9.355 1.00 0.00 O ATOM 365 CB SER A 27 0.048 20.323 8.039 1.00 0.00 C ATOM 366 OG SER A 27 -0.168 21.058 6.842 1.00 0.00 O ATOM 0 H SER A 27 0.781 19.526 10.268 1.00 0.00 H new ATOM 0 HA SER A 27 1.321 21.904 8.752 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.793 19.545 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.872 19.824 8.344 1.00 0.00 H new ATOM 0 HG SER A 27 -0.469 20.450 6.135 1.00 0.00 H new ATOM 372 N GLU A 28 -1.650 21.563 10.192 1.00 0.00 N ATOM 373 CA GLU A 28 -2.810 22.316 10.652 1.00 0.00 C ATOM 374 C GLU A 28 -2.404 23.313 11.733 1.00 0.00 C ATOM 375 O GLU A 28 -2.996 24.385 11.856 1.00 0.00 O ATOM 376 CB GLU A 28 -3.875 21.359 11.199 1.00 0.00 C ATOM 377 CG GLU A 28 -3.401 20.753 12.525 1.00 0.00 C ATOM 378 CD GLU A 28 -3.709 21.700 13.681 1.00 0.00 C ATOM 379 OE1 GLU A 28 -4.773 22.298 13.665 1.00 0.00 O ATOM 380 OE2 GLU A 28 -2.877 21.813 14.567 1.00 0.00 O ATOM 0 H GLU A 28 -1.689 20.562 10.384 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.224 22.866 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.814 21.893 11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.070 20.567 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.893 19.794 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.329 20.558 12.481 1.00 0.00 H new ATOM 387 N ALA A 29 -1.391 22.953 12.516 1.00 0.00 N ATOM 388 CA ALA A 29 -0.914 23.825 13.584 1.00 0.00 C ATOM 389 C ALA A 29 -0.125 24.997 13.008 1.00 0.00 C ATOM 390 O ALA A 29 -0.290 26.139 13.436 1.00 0.00 O ATOM 391 CB ALA A 29 -0.027 23.035 14.548 1.00 0.00 C ATOM 0 H ALA A 29 -0.888 22.070 12.432 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.779 24.213 14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.325 23.694 15.342 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.601 22.217 14.983 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.828 22.631 14.007 1.00 0.00 H new ATOM 397 N GLU A 30 0.734 24.706 12.035 1.00 0.00 N ATOM 398 CA GLU A 30 1.544 25.746 11.410 1.00 0.00 C ATOM 399 C GLU A 30 0.700 26.574 10.446 1.00 0.00 C ATOM 400 O GLU A 30 1.012 27.733 10.170 1.00 0.00 O ATOM 401 CB GLU A 30 2.713 25.111 10.653 1.00 0.00 C ATOM 402 CG GLU A 30 3.712 24.528 11.654 1.00 0.00 C ATOM 403 CD GLU A 30 4.506 25.651 12.312 1.00 0.00 C ATOM 404 OE1 GLU A 30 5.410 26.165 11.673 1.00 0.00 O ATOM 405 OE2 GLU A 30 4.199 25.982 13.446 1.00 0.00 O ATOM 0 H GLU A 30 0.886 23.768 11.665 1.00 0.00 H new ATOM 0 HA GLU A 30 1.930 26.401 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.348 24.327 9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.203 25.857 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.184 23.951 12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.390 23.841 11.146 1.00 0.00 H new ATOM 412 N LEU A 31 -0.373 25.973 9.942 1.00 0.00 N ATOM 413 CA LEU A 31 -1.262 26.664 9.013 1.00 0.00 C ATOM 414 C LEU A 31 -0.467 27.320 7.887 1.00 0.00 C ATOM 415 O LEU A 31 -0.744 28.455 7.499 1.00 0.00 O ATOM 416 CB LEU A 31 -2.068 27.732 9.761 1.00 0.00 C ATOM 417 CG LEU A 31 -3.290 28.142 8.927 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.466 27.211 9.236 1.00 0.00 C ATOM 419 CD2 LEU A 31 -3.685 29.582 9.271 1.00 0.00 C ATOM 0 H LEU A 31 -0.648 25.015 10.159 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.941 25.930 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.390 27.346 10.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.442 28.602 9.957 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.039 28.071 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.330 27.507 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.192 26.185 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.714 27.278 10.295 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.553 29.873 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.930 29.649 10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.853 30.250 9.048 1.00 0.00 H new ATOM 450 N SER A 33 -0.017 25.599 4.972 1.00 0.00 N ATOM 451 CA SER A 33 -0.570 25.030 3.749 1.00 0.00 C ATOM 452 C SER A 33 -1.478 26.038 3.053 1.00 0.00 C ATOM 453 O SER A 33 -2.690 25.839 2.966 1.00 0.00 O ATOM 454 CB SER A 33 -1.363 23.766 4.076 1.00 0.00 C ATOM 455 OG SER A 33 -0.600 22.946 4.951 1.00 0.00 O ATOM 0 HA SER A 33 0.254 24.779 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.313 24.029 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.596 23.222 3.161 1.00 0.00 H new ATOM 0 HG SER A 33 -1.201 22.367 5.465 1.00 0.00 H new ATOM 461 N ASP A 34 -0.884 27.119 2.560 1.00 0.00 N ATOM 462 CA ASP A 34 -1.649 28.153 1.873 1.00 0.00 C ATOM 463 C ASP A 34 -2.443 27.554 0.717 1.00 0.00 C ATOM 464 O ASP A 34 -3.577 27.958 0.455 1.00 0.00 O ATOM 465 CB ASP A 34 -0.704 29.233 1.342 1.00 0.00 C ATOM 466 CG ASP A 34 0.159 28.665 0.221 1.00 0.00 C ATOM 467 OD1 ASP A 34 -0.359 28.496 -0.870 1.00 0.00 O ATOM 468 OD2 ASP A 34 1.326 28.408 0.469 1.00 0.00 O ATOM 0 H ASP A 34 0.118 27.302 2.622 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.346 28.597 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.279 30.083 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.070 29.602 2.149 1.00 0.00 H new ATOM 473 N GLU A 35 -1.842 26.590 0.029 1.00 0.00 N ATOM 474 CA GLU A 35 -2.503 25.942 -1.098 1.00 0.00 C ATOM 475 C GLU A 35 -3.948 25.601 -0.748 1.00 0.00 C ATOM 476 O GLU A 35 -4.854 25.792 -1.559 1.00 0.00 O ATOM 477 CB GLU A 35 -1.752 24.664 -1.479 1.00 0.00 C ATOM 478 CG GLU A 35 -2.493 23.957 -2.615 1.00 0.00 C ATOM 479 CD GLU A 35 -1.617 22.858 -3.206 1.00 0.00 C ATOM 480 OE1 GLU A 35 -0.504 23.164 -3.600 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.071 21.727 -3.256 1.00 0.00 O ATOM 0 H GLU A 35 -0.905 26.242 0.230 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.499 26.631 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.735 24.906 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.674 24.004 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.424 23.530 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.760 24.676 -3.389 1.00 0.00 H new ATOM 488 N ALA A 36 -4.155 25.096 0.463 1.00 0.00 N ATOM 489 CA ALA A 36 -5.496 24.734 0.910 1.00 0.00 C ATOM 490 C ALA A 36 -6.392 25.966 0.967 1.00 0.00 C ATOM 491 O ALA A 36 -7.531 25.941 0.499 1.00 0.00 O ATOM 492 CB ALA A 36 -5.429 24.085 2.293 1.00 0.00 C ATOM 0 H ALA A 36 -3.418 24.929 1.148 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.917 24.025 0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.434 23.818 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.813 23.187 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.992 24.787 3.003 1.00 0.00 H new ATOM 498 N GLN A 37 -5.870 27.044 1.543 1.00 0.00 N ATOM 499 CA GLN A 37 -6.631 28.283 1.656 1.00 0.00 C ATOM 500 C GLN A 37 -7.056 28.779 0.278 1.00 0.00 C ATOM 501 O GLN A 37 -8.208 29.163 0.074 1.00 0.00 O ATOM 502 CB GLN A 37 -5.787 29.354 2.349 1.00 0.00 C ATOM 503 CG GLN A 37 -5.163 28.771 3.619 1.00 0.00 C ATOM 504 CD GLN A 37 -6.253 28.220 4.532 1.00 0.00 C ATOM 505 OE1 GLN A 37 -6.036 27.232 5.234 1.00 0.00 O ATOM 506 NE2 GLN A 37 -7.420 28.804 4.564 1.00 0.00 N ATOM 0 H GLN A 37 -4.930 27.085 1.936 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.524 28.085 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.005 29.707 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.407 30.215 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.461 27.979 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.595 29.541 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.597 29.622 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.155 28.442 5.172 1.00 0.00 H new ATOM 515 N ALA A 38 -6.118 28.770 -0.664 1.00 0.00 N ATOM 516 CA ALA A 38 -6.408 29.222 -2.020 1.00 0.00 C ATOM 517 C ALA A 38 -7.513 28.373 -2.641 1.00 0.00 C ATOM 518 O ALA A 38 -8.524 28.898 -3.110 1.00 0.00 O ATOM 519 CB ALA A 38 -5.147 29.132 -2.881 1.00 0.00 C ATOM 0 H ALA A 38 -5.158 28.457 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.743 30.258 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.372 29.471 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.368 29.762 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.802 28.099 -2.913 1.00 0.00 H new ATOM 525 N ASP A 39 -7.314 27.059 -2.641 1.00 0.00 N ATOM 526 CA ASP A 39 -8.300 26.147 -3.206 1.00 0.00 C ATOM 527 C ASP A 39 -9.674 26.396 -2.594 1.00 0.00 C ATOM 528 O ASP A 39 -10.607 26.805 -3.285 1.00 0.00 O ATOM 529 CB ASP A 39 -7.878 24.699 -2.948 1.00 0.00 C ATOM 530 CG ASP A 39 -8.918 23.743 -3.522 1.00 0.00 C ATOM 531 OD1 ASP A 39 -9.458 24.047 -4.574 1.00 0.00 O ATOM 532 OD2 ASP A 39 -9.159 22.719 -2.902 1.00 0.00 O ATOM 0 H ASP A 39 -6.485 26.605 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.357 26.323 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.906 24.508 -3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.767 24.529 -1.877 1.00 0.00 H new ATOM 537 N LEU A 40 -9.791 26.145 -1.293 1.00 0.00 N ATOM 538 CA LEU A 40 -11.056 26.346 -0.598 1.00 0.00 C ATOM 539 C LEU A 40 -11.687 27.675 -1.006 1.00 0.00 C ATOM 540 O LEU A 40 -12.860 27.728 -1.376 1.00 0.00 O ATOM 541 CB LEU A 40 -10.828 26.330 0.917 1.00 0.00 C ATOM 542 CG LEU A 40 -10.596 24.889 1.394 1.00 0.00 C ATOM 543 CD1 LEU A 40 -9.726 24.897 2.652 1.00 0.00 C ATOM 544 CD2 LEU A 40 -11.940 24.228 1.717 1.00 0.00 C ATOM 0 H LEU A 40 -9.031 25.805 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.733 25.537 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.968 26.950 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.691 26.757 1.428 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.094 24.329 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.563 23.873 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.766 25.362 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.228 25.461 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.771 23.206 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.443 24.791 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.564 24.216 0.823 1.00 0.00 H new ATOM 556 N ALA A 41 -10.900 28.743 -0.940 1.00 0.00 N ATOM 557 CA ALA A 41 -11.394 30.065 -1.308 1.00 0.00 C ATOM 558 C ALA A 41 -11.916 30.056 -2.741 1.00 0.00 C ATOM 559 O ALA A 41 -12.959 30.637 -3.037 1.00 0.00 O ATOM 560 CB ALA A 41 -10.273 31.097 -1.178 1.00 0.00 C ATOM 0 H ALA A 41 -9.926 28.721 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.209 30.330 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.651 32.081 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.918 31.121 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.450 30.825 -1.839 1.00 0.00 H new ATOM 566 N LEU A 42 -11.183 29.389 -3.627 1.00 0.00 N ATOM 567 CA LEU A 42 -11.581 29.307 -5.027 1.00 0.00 C ATOM 568 C LEU A 42 -12.831 28.446 -5.174 1.00 0.00 C ATOM 569 O LEU A 42 -13.557 28.553 -6.163 1.00 0.00 O ATOM 570 CB LEU A 42 -10.442 28.707 -5.858 1.00 0.00 C ATOM 571 CG LEU A 42 -9.313 29.737 -6.012 1.00 0.00 C ATOM 572 CD1 LEU A 42 -7.982 29.013 -6.218 1.00 0.00 C ATOM 573 CD2 LEU A 42 -9.591 30.636 -7.223 1.00 0.00 C ATOM 0 H LEU A 42 -10.316 28.901 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.801 30.312 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.062 27.807 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.812 28.410 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.263 30.347 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.182 29.746 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.777 28.377 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.037 28.399 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.787 31.365 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.647 30.025 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.537 31.158 -7.079 1.00 0.00 H new ATOM 585 N ARG A 43 -13.079 27.596 -4.183 1.00 0.00 N ATOM 586 CA ARG A 43 -14.247 26.723 -4.212 1.00 0.00 C ATOM 587 C ARG A 43 -15.496 27.490 -3.786 1.00 0.00 C ATOM 588 O ARG A 43 -16.471 27.570 -4.534 1.00 0.00 O ATOM 589 CB ARG A 43 -14.036 25.530 -3.277 1.00 0.00 C ATOM 590 CG ARG A 43 -15.197 24.545 -3.435 1.00 0.00 C ATOM 591 CD ARG A 43 -14.867 23.244 -2.704 1.00 0.00 C ATOM 592 NE ARG A 43 -13.892 22.470 -3.464 1.00 0.00 N ATOM 593 CZ ARG A 43 -13.600 21.216 -3.132 1.00 0.00 C ATOM 594 NH1 ARG A 43 -14.188 20.658 -2.110 1.00 0.00 N ATOM 595 NH2 ARG A 43 -12.724 20.545 -3.830 1.00 0.00 N ATOM 0 H ARG A 43 -12.492 27.493 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.382 26.363 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.092 25.036 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.973 25.871 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.112 24.978 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.377 24.345 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.472 23.466 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.775 22.658 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.426 22.898 -4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.872 21.184 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.964 19.696 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.265 20.983 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.499 19.583 -3.577 1.00 0.00 H new ATOM 609 N ARG A 44 -15.459 28.052 -2.582 1.00 0.00 N ATOM 610 CA ARG A 44 -16.595 28.810 -2.069 1.00 0.00 C ATOM 611 C ARG A 44 -16.843 30.051 -2.921 1.00 0.00 C ATOM 612 O ARG A 44 -17.925 30.637 -2.882 1.00 0.00 O ATOM 613 CB ARG A 44 -16.335 29.227 -0.619 1.00 0.00 C ATOM 614 CG ARG A 44 -14.988 29.957 -0.518 1.00 0.00 C ATOM 615 CD ARG A 44 -15.104 31.111 0.478 1.00 0.00 C ATOM 616 NE ARG A 44 -15.840 30.684 1.663 1.00 0.00 N ATOM 617 CZ ARG A 44 -15.223 30.098 2.685 1.00 0.00 C ATOM 618 NH1 ARG A 44 -13.935 29.897 2.643 1.00 0.00 N ATOM 619 NH2 ARG A 44 -15.909 29.723 3.730 1.00 0.00 N ATOM 0 H ARG A 44 -14.662 27.998 -1.948 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.479 28.173 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -17.137 29.876 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.332 28.348 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.210 29.264 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.694 30.336 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.110 31.456 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.612 31.955 0.010 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.847 30.838 1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.400 30.189 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.463 29.447 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.916 29.880 3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.438 29.273 4.515 1.00 0.00 H new ATOM 633 N SER A 45 -15.833 30.446 -3.691 1.00 0.00 N ATOM 634 CA SER A 45 -15.952 31.620 -4.549 1.00 0.00 C ATOM 635 C SER A 45 -17.298 31.628 -5.270 1.00 0.00 C ATOM 636 O SER A 45 -17.853 30.574 -5.580 1.00 0.00 O ATOM 637 CB SER A 45 -14.820 31.630 -5.576 1.00 0.00 C ATOM 638 OG SER A 45 -15.067 32.648 -6.537 1.00 0.00 O ATOM 0 H SER A 45 -14.930 29.974 -3.738 1.00 0.00 H new ATOM 0 HA SER A 45 -15.885 32.511 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.865 31.806 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.750 30.659 -6.067 1.00 0.00 H new ATOM 0 HG SER A 45 -14.230 32.878 -6.992 1.00 0.00 H new ATOM 644 N LEU A 46 -17.814 32.824 -5.534 1.00 0.00 N ATOM 645 CA LEU A 46 -19.096 32.959 -6.218 1.00 0.00 C ATOM 646 C LEU A 46 -18.970 32.540 -7.680 1.00 0.00 C ATOM 647 O LEU A 46 -19.971 32.299 -8.355 1.00 0.00 O ATOM 648 CB LEU A 46 -19.578 34.412 -6.139 1.00 0.00 C ATOM 649 CG LEU A 46 -21.103 34.469 -6.315 1.00 0.00 C ATOM 650 CD1 LEU A 46 -21.789 34.281 -4.959 1.00 0.00 C ATOM 651 CD2 LEU A 46 -21.501 35.828 -6.898 1.00 0.00 C ATOM 0 H LEU A 46 -17.369 33.708 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 46 -19.820 32.308 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -19.298 34.845 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -19.092 35.008 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.414 33.674 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -22.870 34.322 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -21.511 33.313 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -21.475 35.073 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -22.583 35.868 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -21.184 36.621 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.019 35.964 -7.866 1.00 0.00 H new ATOM 663 N ASP A 47 -17.736 32.455 -8.161 1.00 0.00 N ATOM 664 CA ASP A 47 -17.490 32.063 -9.544 1.00 0.00 C ATOM 665 C ASP A 47 -17.797 30.582 -9.748 1.00 0.00 C ATOM 666 O ASP A 47 -17.344 29.972 -10.716 1.00 0.00 O ATOM 667 CB ASP A 47 -16.031 32.338 -9.913 1.00 0.00 C ATOM 668 CG ASP A 47 -15.110 31.423 -9.113 1.00 0.00 C ATOM 669 OD1 ASP A 47 -15.611 30.716 -8.255 1.00 0.00 O ATOM 670 OD2 ASP A 47 -13.918 31.443 -9.370 1.00 0.00 O ATOM 0 H ASP A 47 -16.895 32.651 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.146 32.649 -10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.880 32.176 -10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.786 33.381 -9.711 1.00 0.00 H new ATOM 675 N SER A 48 -18.571 30.011 -8.827 1.00 0.00 N ATOM 676 CA SER A 48 -18.938 28.598 -8.910 1.00 0.00 C ATOM 677 C SER A 48 -20.454 28.439 -8.880 1.00 0.00 C ATOM 678 O SER A 48 -20.969 27.325 -8.780 1.00 0.00 O ATOM 679 CB SER A 48 -18.321 27.833 -7.740 1.00 0.00 C ATOM 680 OG SER A 48 -18.767 26.483 -7.777 1.00 0.00 O ATOM 0 H SER A 48 -18.954 30.501 -8.019 1.00 0.00 H new ATOM 0 HA SER A 48 -18.559 28.195 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.233 27.871 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.606 28.297 -6.796 1.00 0.00 H new ATOM 0 HG SER A 48 -19.536 26.409 -8.380 1.00 0.00 H new ATOM 894 N THR A 62 -56.936 29.755 -12.048 1.00 0.00 N ATOM 895 CA THR A 62 -57.815 29.550 -10.900 1.00 0.00 C ATOM 896 C THR A 62 -59.033 28.711 -11.297 1.00 0.00 C ATOM 897 O THR A 62 -59.651 28.962 -12.331 1.00 0.00 O ATOM 898 CB THR A 62 -58.287 30.902 -10.360 1.00 0.00 C ATOM 899 OG1 THR A 62 -59.349 31.388 -11.169 1.00 0.00 O ATOM 900 CG2 THR A 62 -57.127 31.898 -10.388 1.00 0.00 C ATOM 0 HA THR A 62 -57.256 29.020 -10.129 1.00 0.00 H new ATOM 0 HB THR A 62 -58.635 30.782 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -59.270 31.014 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 62 -57.464 32.860 -10.003 1.00 0.00 H new ATOM 0 HG22 THR A 62 -56.312 31.525 -9.768 1.00 0.00 H new ATOM 0 HG23 THR A 62 -56.777 32.020 -11.413 1.00 0.00 H new ATOM 908 N PRO A 63 -59.394 27.731 -10.501 1.00 0.00 N ATOM 909 CA PRO A 63 -60.568 26.859 -10.791 1.00 0.00 C ATOM 910 C PRO A 63 -61.764 27.655 -11.312 1.00 0.00 C ATOM 911 O PRO A 63 -62.497 27.191 -12.184 1.00 0.00 O ATOM 912 CB PRO A 63 -60.883 26.225 -9.435 1.00 0.00 C ATOM 913 CG PRO A 63 -59.579 26.182 -8.707 1.00 0.00 C ATOM 914 CD PRO A 63 -58.729 27.341 -9.243 1.00 0.00 C ATOM 0 HA PRO A 63 -60.356 26.129 -11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -61.620 26.813 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -61.299 25.225 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -59.733 26.282 -7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -59.077 25.228 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -58.697 28.170 -8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -57.699 27.031 -9.417 1.00 0.00 H new ATOM 922 N GLU A 64 -61.955 28.852 -10.767 1.00 0.00 N ATOM 923 CA GLU A 64 -63.066 29.701 -11.181 1.00 0.00 C ATOM 924 C GLU A 64 -62.981 30.005 -12.673 1.00 0.00 C ATOM 925 O GLU A 64 -63.914 29.729 -13.428 1.00 0.00 O ATOM 926 CB GLU A 64 -63.047 31.011 -10.390 1.00 0.00 C ATOM 927 CG GLU A 64 -64.401 31.711 -10.528 1.00 0.00 C ATOM 928 CD GLU A 64 -64.405 33.003 -9.717 1.00 0.00 C ATOM 929 OE1 GLU A 64 -63.751 33.035 -8.688 1.00 0.00 O ATOM 930 OE2 GLU A 64 -65.061 33.942 -10.139 1.00 0.00 O ATOM 0 H GLU A 64 -61.360 29.254 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 64 -63.997 29.170 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -62.835 30.811 -9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -62.252 31.659 -10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -64.601 31.930 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -65.197 31.052 -10.182 1.00 0.00 H new ATOM 937 N GLN A 65 -61.857 30.575 -13.091 1.00 0.00 N ATOM 938 CA GLN A 65 -61.658 30.914 -14.495 1.00 0.00 C ATOM 939 C GLN A 65 -61.925 29.702 -15.382 1.00 0.00 C ATOM 940 O GLN A 65 -62.838 29.716 -16.208 1.00 0.00 O ATOM 941 CB GLN A 65 -60.226 31.404 -14.711 1.00 0.00 C ATOM 942 CG GLN A 65 -60.078 32.820 -14.152 1.00 0.00 C ATOM 943 CD GLN A 65 -58.675 33.348 -14.434 1.00 0.00 C ATOM 944 OE1 GLN A 65 -57.973 33.771 -13.515 1.00 0.00 O ATOM 945 NE2 GLN A 65 -58.221 33.346 -15.656 1.00 0.00 N ATOM 0 H GLN A 65 -61.074 30.811 -12.482 1.00 0.00 H new ATOM 0 HA GLN A 65 -62.358 31.705 -14.764 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.523 30.732 -14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -59.984 31.395 -15.774 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -60.821 33.478 -14.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.266 32.817 -13.078 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -58.804 32.995 -16.416 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.283 33.695 -15.852 1.00 0.00 H new ATOM 954 N MET A 66 -61.124 28.656 -15.209 1.00 0.00 N ATOM 955 CA MET A 66 -61.288 27.444 -16.003 1.00 0.00 C ATOM 956 C MET A 66 -62.752 27.019 -16.032 1.00 0.00 C ATOM 957 O MET A 66 -63.313 26.763 -17.097 1.00 0.00 O ATOM 958 CB MET A 66 -60.437 26.314 -15.419 1.00 0.00 C ATOM 959 CG MET A 66 -58.953 26.672 -15.534 1.00 0.00 C ATOM 960 SD MET A 66 -57.957 25.167 -15.393 1.00 0.00 S ATOM 961 CE MET A 66 -58.701 24.545 -13.866 1.00 0.00 C ATOM 0 H MET A 66 -60.361 28.622 -14.532 1.00 0.00 H new ATOM 0 HA MET A 66 -60.961 27.653 -17.021 1.00 0.00 H new ATOM 0 HB2 MET A 66 -60.701 26.150 -14.374 1.00 0.00 H new ATOM 0 HB3 MET A 66 -60.638 25.383 -15.949 1.00 0.00 H new ATOM 0 HG2 MET A 66 -58.759 27.161 -16.488 1.00 0.00 H new ATOM 0 HG3 MET A 66 -58.677 27.379 -14.751 1.00 0.00 H new ATOM 0 HE1 MET A 66 -58.018 23.842 -13.389 1.00 0.00 H new ATOM 0 HE2 MET A 66 -58.895 25.378 -13.190 1.00 0.00 H new ATOM 0 HE3 MET A 66 -59.639 24.040 -14.098 1.00 0.00 H new ATOM 971 N ALA A 67 -63.367 26.946 -14.856 1.00 0.00 N ATOM 972 CA ALA A 67 -64.767 26.553 -14.761 1.00 0.00 C ATOM 973 C ALA A 67 -65.625 27.404 -15.690 1.00 0.00 C ATOM 974 O ALA A 67 -66.352 26.882 -16.535 1.00 0.00 O ATOM 975 CB ALA A 67 -65.259 26.712 -13.321 1.00 0.00 C ATOM 0 H ALA A 67 -62.921 27.152 -13.962 1.00 0.00 H new ATOM 0 HA ALA A 67 -64.853 25.508 -15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -66.306 26.416 -13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -64.664 26.080 -12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -65.158 27.753 -13.015 1.00 0.00 H new ATOM 981 N LYS A 68 -65.533 28.721 -15.528 1.00 0.00 N ATOM 982 CA LYS A 68 -66.303 29.639 -16.358 1.00 0.00 C ATOM 983 C LYS A 68 -65.898 29.505 -17.822 1.00 0.00 C ATOM 984 O LYS A 68 -66.729 29.213 -18.683 1.00 0.00 O ATOM 985 CB LYS A 68 -66.078 31.078 -15.893 1.00 0.00 C ATOM 986 CG LYS A 68 -66.701 31.269 -14.508 1.00 0.00 C ATOM 987 CD LYS A 68 -66.487 32.713 -14.041 1.00 0.00 C ATOM 988 CE LYS A 68 -67.237 33.679 -14.968 1.00 0.00 C ATOM 989 NZ LYS A 68 -66.346 34.082 -16.092 1.00 0.00 N ATOM 0 H LYS A 68 -64.937 29.173 -14.834 1.00 0.00 H new ATOM 0 HA LYS A 68 -67.359 29.388 -16.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -65.011 31.297 -15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -66.523 31.775 -16.603 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -67.767 31.042 -14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -66.251 30.576 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -66.841 32.829 -13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -65.423 32.950 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -68.137 33.202 -15.356 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -67.558 34.559 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -66.256 35.118 -16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -65.407 33.656 -15.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -66.752 33.754 -16.992 1.00 0.00 H new ATOM 1003 N GLU A 69 -64.615 29.718 -18.098 1.00 0.00 N ATOM 1004 CA GLU A 69 -64.110 29.618 -19.463 1.00 0.00 C ATOM 1005 C GLU A 69 -64.660 28.370 -20.145 1.00 0.00 C ATOM 1006 O GLU A 69 -65.144 28.429 -21.275 1.00 0.00 O ATOM 1007 CB GLU A 69 -62.580 29.564 -19.452 1.00 0.00 C ATOM 1008 CG GLU A 69 -62.024 30.945 -19.102 1.00 0.00 C ATOM 1009 CD GLU A 69 -60.502 30.884 -19.000 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -60.011 30.033 -18.278 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -59.853 31.688 -19.648 1.00 0.00 O ATOM 0 H GLU A 69 -63.911 29.959 -17.401 1.00 0.00 H new ATOM 0 HA GLU A 69 -64.438 30.497 -20.018 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -62.237 28.827 -18.726 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -62.210 29.247 -20.427 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -62.317 31.668 -19.863 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -62.447 31.288 -18.158 1.00 0.00 H new ATOM 1018 N MET A 70 -64.582 27.240 -19.450 1.00 0.00 N ATOM 1019 CA MET A 70 -65.077 25.982 -19.998 1.00 0.00 C ATOM 1020 C MET A 70 -66.574 26.073 -20.274 1.00 0.00 C ATOM 1021 O MET A 70 -67.025 25.818 -21.391 1.00 0.00 O ATOM 1022 CB MET A 70 -64.806 24.841 -19.016 1.00 0.00 C ATOM 1023 CG MET A 70 -63.310 24.521 -19.000 1.00 0.00 C ATOM 1024 SD MET A 70 -62.925 23.510 -17.549 1.00 0.00 S ATOM 1025 CE MET A 70 -61.314 22.910 -18.112 1.00 0.00 C ATOM 0 H MET A 70 -64.184 27.169 -18.514 1.00 0.00 H new ATOM 0 HA MET A 70 -64.556 25.785 -20.935 1.00 0.00 H new ATOM 0 HB2 MET A 70 -65.139 25.121 -18.017 1.00 0.00 H new ATOM 0 HB3 MET A 70 -65.374 23.957 -19.305 1.00 0.00 H new ATOM 0 HG2 MET A 70 -63.031 23.991 -19.910 1.00 0.00 H new ATOM 0 HG3 MET A 70 -62.730 25.444 -18.978 1.00 0.00 H new ATOM 0 HE1 MET A 70 -60.885 22.254 -17.355 1.00 0.00 H new ATOM 0 HE2 MET A 70 -61.437 22.357 -19.043 1.00 0.00 H new ATOM 0 HE3 MET A 70 -60.648 23.757 -18.278 1.00 0.00 H new ATOM 1035 N SER A 71 -67.338 26.438 -19.250 1.00 0.00 N ATOM 1036 CA SER A 71 -68.783 26.560 -19.393 1.00 0.00 C ATOM 1037 C SER A 71 -69.133 27.410 -20.610 1.00 0.00 C ATOM 1038 O SER A 71 -70.044 27.081 -21.369 1.00 0.00 O ATOM 1039 CB SER A 71 -69.381 27.193 -18.137 1.00 0.00 C ATOM 1040 OG SER A 71 -69.184 28.600 -18.183 1.00 0.00 O ATOM 0 H SER A 71 -66.983 26.653 -18.318 1.00 0.00 H new ATOM 0 HA SER A 71 -69.200 25.562 -19.530 1.00 0.00 H new ATOM 0 HB2 SER A 71 -70.445 26.965 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 71 -68.910 26.777 -17.246 1.00 0.00 H new ATOM 0 HG SER A 71 -68.227 28.799 -18.117 1.00 0.00 H new ATOM 1046 N GLU A 72 -68.402 28.506 -20.788 1.00 0.00 N ATOM 1047 CA GLU A 72 -68.644 29.398 -21.916 1.00 0.00 C ATOM 1048 C GLU A 72 -68.141 28.770 -23.212 1.00 0.00 C ATOM 1049 O GLU A 72 -68.686 29.023 -24.287 1.00 0.00 O ATOM 1050 CB GLU A 72 -67.938 30.736 -21.686 1.00 0.00 C ATOM 1051 CG GLU A 72 -68.221 31.671 -22.864 1.00 0.00 C ATOM 1052 CD GLU A 72 -67.711 33.073 -22.550 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -68.468 33.843 -21.983 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -66.572 33.357 -22.882 1.00 0.00 O ATOM 0 H GLU A 72 -67.643 28.796 -20.171 1.00 0.00 H new ATOM 0 HA GLU A 72 -69.718 29.565 -21.999 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -68.286 31.188 -20.757 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -66.864 30.580 -21.582 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -67.737 31.292 -23.764 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -69.292 31.701 -23.066 1.00 0.00 H new ATOM 1061 N PHE A 73 -67.100 27.952 -23.103 1.00 0.00 N ATOM 1062 CA PHE A 73 -66.533 27.293 -24.274 1.00 0.00 C ATOM 1063 C PHE A 73 -67.428 26.145 -24.730 1.00 0.00 C ATOM 1064 O PHE A 73 -67.937 26.150 -25.852 1.00 0.00 O ATOM 1065 CB PHE A 73 -65.137 26.757 -23.948 1.00 0.00 C ATOM 1066 CG PHE A 73 -64.486 26.248 -25.212 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -63.834 27.141 -26.071 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -64.535 24.885 -25.524 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -63.231 26.669 -27.243 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -63.931 24.414 -26.696 1.00 0.00 C ATOM 1071 CZ PHE A 73 -63.279 25.305 -27.555 1.00 0.00 C ATOM 0 H PHE A 73 -66.634 27.730 -22.223 1.00 0.00 H new ATOM 0 HA PHE A 73 -66.462 28.024 -25.079 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -64.528 27.544 -23.504 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -65.206 25.955 -23.213 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -63.796 28.193 -25.830 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -65.038 24.197 -24.861 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -62.729 27.357 -27.907 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -63.968 23.362 -26.937 1.00 0.00 H new ATOM 0 HZ PHE A 73 -62.813 24.941 -28.459 1.00 0.00 H new ATOM 1081 N LEU A 74 -67.618 25.164 -23.854 1.00 0.00 N ATOM 1082 CA LEU A 74 -68.456 24.015 -24.180 1.00 0.00 C ATOM 1083 C LEU A 74 -69.794 24.477 -24.749 1.00 0.00 C ATOM 1084 O LEU A 74 -70.479 23.722 -25.439 1.00 0.00 O ATOM 1085 CB LEU A 74 -68.697 23.170 -22.926 1.00 0.00 C ATOM 1086 CG LEU A 74 -67.355 22.771 -22.303 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -67.594 22.204 -20.902 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -66.673 21.708 -23.172 1.00 0.00 C ATOM 0 H LEU A 74 -67.207 25.140 -22.921 1.00 0.00 H new ATOM 0 HA LEU A 74 -67.941 23.413 -24.929 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -69.290 23.733 -22.205 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -69.269 22.278 -23.182 1.00 0.00 H new ATOM 0 HG LEU A 74 -66.713 23.650 -22.240 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -66.640 21.920 -20.457 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -68.073 22.960 -20.280 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -68.239 21.328 -20.969 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -65.720 21.429 -22.724 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -67.313 20.829 -23.241 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -66.501 22.110 -24.170 1.00 0.00 H new