USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -91:sc= 1.03 USER MOD Set 1.2: A 71 TYR OH : rot -173:sc= -0.512! USER MOD Set 1.3: A 75 HIS : no HD1:sc= -0.0318 X(o=0.49,f=0.39) USER MOD Single : A 1 SER N :NH3+ -119:sc= 0.172 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -6.46! C(o=-6.5!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -1.45 F(o=-2.2!,f=-1.4) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.151! C(o=-0.15!,f=-7.3!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.433 USER MOD Single : A 39 THR OG1 : rot 128:sc= -3.6! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= -4.34! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 66 GLN : amide:sc= -3.44! C(o=-3.4!,f=-3.7!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.424 F(o=-1.3,f=-0.42) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.316 F(o=-1.3,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.864 -8.888 -11.192 1.00 0.00 N ATOM 2 CA SER A 1 -2.001 -10.149 -10.484 1.00 0.00 C ATOM 3 C SER A 1 -3.169 -10.073 -9.499 1.00 0.00 C ATOM 4 O SER A 1 -3.841 -9.047 -9.406 1.00 0.00 O ATOM 5 CB SER A 1 -0.709 -10.510 -9.748 1.00 0.00 C ATOM 6 OG SER A 1 0.330 -10.889 -10.647 1.00 0.00 O ATOM 0 H1 SER A 1 -1.994 -9.046 -12.212 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.583 -8.219 -10.851 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.917 -8.495 -11.021 1.00 0.00 H new ATOM 0 HA SER A 1 -2.202 -10.932 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.381 -9.658 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.904 -11.327 -9.054 1.00 0.00 H new ATOM 0 HG SER A 1 1.138 -11.110 -10.139 1.00 0.00 H new ATOM 12 N THR A 2 -3.376 -11.172 -8.789 1.00 0.00 N ATOM 13 CA THR A 2 -4.451 -11.243 -7.815 1.00 0.00 C ATOM 14 C THR A 2 -3.992 -10.674 -6.471 1.00 0.00 C ATOM 15 O THR A 2 -4.666 -10.846 -5.457 1.00 0.00 O ATOM 16 CB THR A 2 -4.919 -12.697 -7.731 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.726 -13.456 -7.910 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.797 -13.099 -8.917 1.00 0.00 C ATOM 0 H THR A 2 -2.817 -12.021 -8.869 1.00 0.00 H new ATOM 0 HA THR A 2 -5.300 -10.631 -8.119 1.00 0.00 H new ATOM 0 HB THR A 2 -5.471 -12.848 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.937 -14.412 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.102 -14.140 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.682 -12.463 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.234 -12.981 -9.843 1.00 0.00 H new ATOM 26 N ILE A 3 -2.847 -10.008 -6.507 1.00 0.00 N ATOM 27 CA ILE A 3 -2.290 -9.413 -5.304 1.00 0.00 C ATOM 28 C ILE A 3 -2.632 -7.922 -5.273 1.00 0.00 C ATOM 29 O ILE A 3 -3.165 -7.424 -4.282 1.00 0.00 O ATOM 30 CB ILE A 3 -0.790 -9.702 -5.209 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.346 -9.816 -3.749 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.020 -8.654 -5.975 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.123 -8.462 -3.211 1.00 0.00 C ATOM 0 H ILE A 3 -2.290 -9.867 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.735 -9.861 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.597 -10.665 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.172 -10.186 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.461 -10.544 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.082 -8.883 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.272 -8.665 -7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.173 -7.667 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.433 -8.571 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.965 -8.106 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.694 -7.743 -3.272 1.00 0.00 H new ATOM 45 N GLU A 4 -2.311 -7.250 -6.369 1.00 0.00 N ATOM 46 CA GLU A 4 -2.577 -5.826 -6.479 1.00 0.00 C ATOM 47 C GLU A 4 -4.057 -5.541 -6.215 1.00 0.00 C ATOM 48 O GLU A 4 -4.392 -4.662 -5.423 1.00 0.00 O ATOM 49 CB GLU A 4 -2.152 -5.293 -7.849 1.00 0.00 C ATOM 50 CG GLU A 4 -3.114 -5.761 -8.942 1.00 0.00 C ATOM 51 CD GLU A 4 -2.589 -5.390 -10.330 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.705 -4.529 -10.449 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.132 -6.032 -11.308 1.00 0.00 O ATOM 0 H GLU A 4 -1.869 -7.666 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.986 -5.306 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.124 -4.204 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.142 -5.633 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.247 -6.841 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.094 -5.309 -8.787 1.00 0.00 H new ATOM 61 N GLU A 5 -4.904 -6.301 -6.895 1.00 0.00 N ATOM 62 CA GLU A 5 -6.340 -6.141 -6.744 1.00 0.00 C ATOM 63 C GLU A 5 -6.719 -6.122 -5.262 1.00 0.00 C ATOM 64 O GLU A 5 -7.624 -5.393 -4.858 1.00 0.00 O ATOM 65 CB GLU A 5 -7.096 -7.244 -7.489 1.00 0.00 C ATOM 66 CG GLU A 5 -6.466 -8.613 -7.226 1.00 0.00 C ATOM 67 CD GLU A 5 -7.422 -9.741 -7.622 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.771 -9.871 -8.805 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.804 -10.498 -6.650 1.00 0.00 O ATOM 0 H GLU A 5 -4.623 -7.029 -7.552 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.628 -5.187 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.139 -7.253 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.089 -7.036 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.537 -8.704 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.209 -8.703 -6.170 1.00 0.00 H new ATOM 77 N ARG A 6 -6.008 -6.932 -4.491 1.00 0.00 N ATOM 78 CA ARG A 6 -6.258 -7.017 -3.063 1.00 0.00 C ATOM 79 C ARG A 6 -5.495 -5.916 -2.323 1.00 0.00 C ATOM 80 O ARG A 6 -5.930 -5.455 -1.269 1.00 0.00 O ATOM 81 CB ARG A 6 -5.837 -8.380 -2.510 1.00 0.00 C ATOM 82 CG ARG A 6 -6.802 -9.477 -2.962 1.00 0.00 C ATOM 83 CD ARG A 6 -6.144 -10.856 -2.879 1.00 0.00 C ATOM 84 NE ARG A 6 -6.044 -11.285 -1.466 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.723 -12.537 -1.076 1.00 0.00 C ATOM 86 NH1 ARG A 6 -5.467 -13.495 -1.991 1.00 0.00 N ATOM 87 NH2 ARG A 6 -5.664 -12.810 0.214 1.00 0.00 N ATOM 0 H ARG A 6 -5.258 -7.535 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.329 -6.889 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.828 -8.617 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.809 -8.342 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.696 -9.459 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.123 -9.285 -3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.727 -11.581 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.152 -10.822 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.229 -10.591 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.515 -13.276 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.225 -14.438 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.859 -12.080 0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.423 -13.751 0.526 1.00 0.00 H new ATOM 100 N VAL A 7 -4.369 -5.528 -2.905 1.00 0.00 N ATOM 101 CA VAL A 7 -3.541 -4.490 -2.315 1.00 0.00 C ATOM 102 C VAL A 7 -4.366 -3.210 -2.164 1.00 0.00 C ATOM 103 O VAL A 7 -4.232 -2.495 -1.172 1.00 0.00 O ATOM 104 CB VAL A 7 -2.276 -4.291 -3.152 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.570 -2.986 -2.776 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.332 -5.486 -3.011 1.00 0.00 C ATOM 0 H VAL A 7 -4.011 -5.914 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.212 -4.784 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.573 -4.221 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.674 -2.868 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.241 -2.145 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.291 -3.014 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.441 -5.319 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.045 -5.601 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.837 -6.390 -3.351 1.00 0.00 H new ATOM 116 N LYS A 8 -5.200 -2.960 -3.162 1.00 0.00 N ATOM 117 CA LYS A 8 -6.046 -1.779 -3.153 1.00 0.00 C ATOM 118 C LYS A 8 -6.821 -1.722 -1.835 1.00 0.00 C ATOM 119 O LYS A 8 -7.022 -0.646 -1.274 1.00 0.00 O ATOM 120 CB LYS A 8 -6.940 -1.750 -4.394 1.00 0.00 C ATOM 121 CG LYS A 8 -6.435 -0.724 -5.410 1.00 0.00 C ATOM 122 CD LYS A 8 -5.477 -1.372 -6.413 1.00 0.00 C ATOM 123 CE LYS A 8 -6.225 -1.837 -7.663 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.355 -2.696 -8.498 1.00 0.00 N ATOM 0 H LYS A 8 -5.308 -3.556 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.439 -0.875 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.965 -2.739 -4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.962 -1.507 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.280 -0.285 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.928 0.089 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.701 -0.659 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.977 -2.221 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.120 -2.387 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.554 -0.973 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.878 -3.003 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.513 -2.159 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.062 -3.530 -7.950 1.00 0.00 H new ATOM 137 N LYS A 9 -7.236 -2.895 -1.378 1.00 0.00 N ATOM 138 CA LYS A 9 -7.984 -2.992 -0.137 1.00 0.00 C ATOM 139 C LYS A 9 -7.122 -2.474 1.016 1.00 0.00 C ATOM 140 O LYS A 9 -7.559 -1.621 1.787 1.00 0.00 O ATOM 141 CB LYS A 9 -8.494 -4.420 0.071 1.00 0.00 C ATOM 142 CG LYS A 9 -10.010 -4.494 -0.121 1.00 0.00 C ATOM 143 CD LYS A 9 -10.574 -5.792 0.462 1.00 0.00 C ATOM 144 CE LYS A 9 -11.976 -6.073 -0.081 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.488 -7.357 0.448 1.00 0.00 N ATOM 0 H LYS A 9 -7.068 -3.786 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.873 -2.363 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.002 -5.092 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.234 -4.761 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.483 -3.639 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.249 -4.434 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.912 -6.623 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.609 -5.722 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.650 -5.263 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.951 -6.106 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.441 -7.533 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.853 -8.129 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.530 -7.313 1.486 1.00 0.00 H new ATOM 158 N ILE A 10 -5.913 -3.010 1.096 1.00 0.00 N ATOM 159 CA ILE A 10 -4.986 -2.612 2.141 1.00 0.00 C ATOM 160 C ILE A 10 -4.934 -1.085 2.217 1.00 0.00 C ATOM 161 O ILE A 10 -5.107 -0.507 3.289 1.00 0.00 O ATOM 162 CB ILE A 10 -3.619 -3.263 1.921 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.663 -4.757 2.251 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.530 -2.534 2.712 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.410 -5.469 1.739 1.00 0.00 C ATOM 0 H ILE A 10 -5.554 -3.717 0.454 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.331 -2.968 3.112 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.365 -3.173 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.747 -4.892 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.549 -5.206 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.569 -3.017 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.478 -1.495 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.767 -2.570 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.467 -6.529 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.342 -5.352 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.527 -5.034 2.207 1.00 0.00 H new ATOM 177 N ILE A 11 -4.696 -0.475 1.065 1.00 0.00 N ATOM 178 CA ILE A 11 -4.619 0.974 0.987 1.00 0.00 C ATOM 179 C ILE A 11 -6.021 1.564 1.155 1.00 0.00 C ATOM 180 O ILE A 11 -6.173 2.685 1.639 1.00 0.00 O ATOM 181 CB ILE A 11 -3.921 1.405 -0.304 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.571 0.701 -0.459 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.784 2.928 -0.371 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.647 1.021 0.718 1.00 0.00 C ATOM 0 H ILE A 11 -4.554 -0.958 0.178 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.007 1.367 1.799 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.542 1.100 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.724 -0.376 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.099 1.012 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.285 3.208 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.774 3.384 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.196 3.278 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.695 0.508 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.477 2.097 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.111 0.686 1.646 1.00 0.00 H new ATOM 196 N GLY A 12 -7.010 0.783 0.746 1.00 0.00 N ATOM 197 CA GLY A 12 -8.394 1.214 0.845 1.00 0.00 C ATOM 198 C GLY A 12 -8.862 1.225 2.301 1.00 0.00 C ATOM 199 O GLY A 12 -9.781 1.962 2.656 1.00 0.00 O ATOM 0 H GLY A 12 -6.880 -0.146 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.499 2.211 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.029 0.548 0.260 1.00 0.00 H new ATOM 203 N GLN A 13 -8.209 0.399 3.105 1.00 0.00 N ATOM 204 CA GLN A 13 -8.547 0.304 4.515 1.00 0.00 C ATOM 205 C GLN A 13 -7.503 1.035 5.362 1.00 0.00 C ATOM 206 O GLN A 13 -7.840 1.939 6.125 1.00 0.00 O ATOM 207 CB GLN A 13 -8.681 -1.157 4.950 1.00 0.00 C ATOM 208 CG GLN A 13 -10.141 -1.513 5.235 1.00 0.00 C ATOM 209 CD GLN A 13 -10.769 -0.515 6.210 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.102 0.093 7.031 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.085 -0.380 6.073 1.00 0.00 N ATOM 0 H GLN A 13 -7.448 -0.211 2.807 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.513 0.785 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.290 -1.810 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.080 -1.331 5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.706 -1.520 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.199 -2.519 5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.582 -0.920 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.597 0.264 6.676 1.00 0.00 H new ATOM 220 N GLN A 14 -6.257 0.616 5.199 1.00 0.00 N ATOM 221 CA GLN A 14 -5.161 1.219 5.938 1.00 0.00 C ATOM 222 C GLN A 14 -5.313 2.741 5.963 1.00 0.00 C ATOM 223 O GLN A 14 -5.500 3.333 7.026 1.00 0.00 O ATOM 224 CB GLN A 14 -3.810 0.812 5.347 1.00 0.00 C ATOM 225 CG GLN A 14 -3.491 -0.650 5.664 1.00 0.00 C ATOM 226 CD GLN A 14 -3.522 -0.903 7.173 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.566 -0.656 7.889 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.670 -1.409 7.613 1.00 0.00 N ATOM 0 H GLN A 14 -5.982 -0.135 4.565 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.195 0.853 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.822 0.959 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.026 1.454 5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.212 -1.299 5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.508 -0.905 5.269 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.431 -1.592 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.790 -1.614 8.605 1.00 0.00 H new ATOM 237 N LEU A 15 -5.226 3.332 4.781 1.00 0.00 N ATOM 238 CA LEU A 15 -5.351 4.774 4.654 1.00 0.00 C ATOM 239 C LEU A 15 -6.696 5.218 5.232 1.00 0.00 C ATOM 240 O LEU A 15 -6.751 5.785 6.322 1.00 0.00 O ATOM 241 CB LEU A 15 -5.133 5.205 3.202 1.00 0.00 C ATOM 242 CG LEU A 15 -3.771 4.861 2.597 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.423 5.812 1.450 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.683 4.839 3.673 1.00 0.00 C ATOM 0 H LEU A 15 -5.070 2.838 3.902 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.574 5.276 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.908 4.746 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.274 6.284 3.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.829 3.857 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.450 5.545 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.181 5.734 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.390 6.836 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.725 4.592 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.618 5.819 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.930 4.090 4.425 1.00 0.00 H new ATOM 256 N GLY A 16 -7.749 4.944 4.475 1.00 0.00 N ATOM 257 CA GLY A 16 -9.090 5.308 4.898 1.00 0.00 C ATOM 258 C GLY A 16 -9.849 6.012 3.771 1.00 0.00 C ATOM 259 O GLY A 16 -10.433 7.074 3.980 1.00 0.00 O ATOM 0 H GLY A 16 -7.700 4.474 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.634 4.414 5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.036 5.962 5.768 1.00 0.00 H new ATOM 263 N VAL A 17 -9.816 5.391 2.601 1.00 0.00 N ATOM 264 CA VAL A 17 -10.493 5.944 1.441 1.00 0.00 C ATOM 265 C VAL A 17 -11.381 4.868 0.813 1.00 0.00 C ATOM 266 O VAL A 17 -11.528 3.779 1.365 1.00 0.00 O ATOM 267 CB VAL A 17 -9.468 6.520 0.462 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.688 7.672 1.098 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.520 5.430 -0.043 1.00 0.00 C ATOM 0 H VAL A 17 -9.331 4.510 2.432 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.141 6.770 1.735 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.011 6.917 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.966 8.063 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.379 8.464 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.162 7.311 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.801 5.866 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.988 4.990 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.094 4.656 -0.553 1.00 0.00 H new ATOM 279 N LYS A 18 -11.951 5.211 -0.333 1.00 0.00 N ATOM 280 CA LYS A 18 -12.821 4.289 -1.042 1.00 0.00 C ATOM 281 C LYS A 18 -11.967 3.276 -1.809 1.00 0.00 C ATOM 282 O LYS A 18 -10.741 3.379 -1.825 1.00 0.00 O ATOM 283 CB LYS A 18 -13.808 5.054 -1.925 1.00 0.00 C ATOM 284 CG LYS A 18 -14.904 5.710 -1.082 1.00 0.00 C ATOM 285 CD LYS A 18 -14.392 6.988 -0.415 1.00 0.00 C ATOM 286 CE LYS A 18 -14.238 6.795 1.095 1.00 0.00 C ATOM 287 NZ LYS A 18 -13.790 8.051 1.735 1.00 0.00 N ATOM 0 H LYS A 18 -11.827 6.115 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.431 3.724 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.277 5.817 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.258 4.373 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.762 5.943 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.249 5.011 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.433 7.270 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.084 7.807 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.188 6.479 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.518 6.001 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.691 7.902 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.873 8.336 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.491 8.799 1.560 1.00 0.00 H new ATOM 300 N GLN A 19 -12.649 2.322 -2.425 1.00 0.00 N ATOM 301 CA GLN A 19 -11.968 1.292 -3.192 1.00 0.00 C ATOM 302 C GLN A 19 -12.045 1.606 -4.687 1.00 0.00 C ATOM 303 O GLN A 19 -11.105 1.332 -5.432 1.00 0.00 O ATOM 304 CB GLN A 19 -12.550 -0.090 -2.891 1.00 0.00 C ATOM 305 CG GLN A 19 -11.663 -1.196 -3.466 1.00 0.00 C ATOM 306 CD GLN A 19 -12.077 -1.542 -4.898 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.211 -1.139 -5.824 1.00 0.00 O flip ATOM 308 NE2 GLN A 19 -13.114 -2.136 -5.145 1.00 0.00 N flip ATOM 0 H GLN A 19 -13.666 2.240 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.919 1.280 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.647 -0.221 -1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.552 -0.166 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.621 -0.876 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.732 -2.085 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.734 -2.417 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.360 -2.352 -6.111 1.00 0.00 H new ATOM 317 N GLU A 20 -13.174 2.176 -5.083 1.00 0.00 N ATOM 318 CA GLU A 20 -13.386 2.530 -6.476 1.00 0.00 C ATOM 319 C GLU A 20 -12.546 3.754 -6.846 1.00 0.00 C ATOM 320 O GLU A 20 -12.074 3.869 -7.977 1.00 0.00 O ATOM 321 CB GLU A 20 -14.869 2.776 -6.760 1.00 0.00 C ATOM 322 CG GLU A 20 -15.608 1.457 -6.996 1.00 0.00 C ATOM 323 CD GLU A 20 -17.120 1.642 -6.848 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.749 2.300 -7.689 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.640 1.072 -5.814 1.00 0.00 O ATOM 0 H GLU A 20 -13.952 2.401 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.066 1.693 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.321 3.305 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.974 3.417 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.380 1.081 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.258 0.708 -6.286 1.00 0.00 H new ATOM 333 N GLU A 21 -12.385 4.638 -5.873 1.00 0.00 N ATOM 334 CA GLU A 21 -11.611 5.849 -6.083 1.00 0.00 C ATOM 335 C GLU A 21 -10.114 5.533 -6.063 1.00 0.00 C ATOM 336 O GLU A 21 -9.366 5.996 -6.923 1.00 0.00 O ATOM 337 CB GLU A 21 -11.960 6.911 -5.038 1.00 0.00 C ATOM 338 CG GLU A 21 -13.140 7.768 -5.501 1.00 0.00 C ATOM 339 CD GLU A 21 -12.778 9.255 -5.483 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.532 9.846 -6.545 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.759 9.797 -4.313 1.00 0.00 O ATOM 0 H GLU A 21 -12.778 4.540 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.865 6.253 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.205 6.429 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.093 7.547 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.435 7.474 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.999 7.591 -4.853 1.00 0.00 H new ATOM 349 N VAL A 22 -9.721 4.746 -5.072 1.00 0.00 N ATOM 350 CA VAL A 22 -8.327 4.362 -4.929 1.00 0.00 C ATOM 351 C VAL A 22 -7.937 3.434 -6.082 1.00 0.00 C ATOM 352 O VAL A 22 -8.641 2.467 -6.371 1.00 0.00 O ATOM 353 CB VAL A 22 -8.095 3.734 -3.553 1.00 0.00 C ATOM 354 CG1 VAL A 22 -8.356 2.227 -3.587 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.685 4.036 -3.043 1.00 0.00 C ATOM 0 H VAL A 22 -10.344 4.364 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.682 5.239 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.805 4.181 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.184 1.805 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.388 2.043 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.682 1.757 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.547 3.578 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.951 3.631 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.551 5.115 -2.962 1.00 0.00 H new ATOM 365 N THR A 23 -6.818 3.762 -6.710 1.00 0.00 N ATOM 366 CA THR A 23 -6.326 2.970 -7.825 1.00 0.00 C ATOM 367 C THR A 23 -4.810 2.787 -7.722 1.00 0.00 C ATOM 368 O THR A 23 -4.147 3.493 -6.964 1.00 0.00 O ATOM 369 CB THR A 23 -6.769 3.652 -9.121 1.00 0.00 C ATOM 370 OG1 THR A 23 -6.172 4.944 -9.055 1.00 0.00 O ATOM 371 CG2 THR A 23 -8.272 3.938 -9.148 1.00 0.00 C ATOM 0 H THR A 23 -6.238 4.565 -6.468 1.00 0.00 H new ATOM 0 HA THR A 23 -6.745 1.964 -7.810 1.00 0.00 H new ATOM 0 HB THR A 23 -6.503 3.023 -9.971 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.407 5.454 -9.858 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.533 4.422 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.822 3.002 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.532 4.594 -8.318 1.00 0.00 H new ATOM 379 N ASN A 24 -4.307 1.837 -8.496 1.00 0.00 N ATOM 380 CA ASN A 24 -2.882 1.552 -8.501 1.00 0.00 C ATOM 381 C ASN A 24 -2.161 2.600 -9.350 1.00 0.00 C ATOM 382 O ASN A 24 -1.716 2.307 -10.459 1.00 0.00 O ATOM 383 CB ASN A 24 -2.598 0.176 -9.105 1.00 0.00 C ATOM 384 CG ASN A 24 -3.368 -0.019 -10.413 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.228 0.765 -10.779 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.012 -1.104 -11.094 1.00 0.00 N ATOM 0 H ASN A 24 -4.861 1.255 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.530 1.572 -7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.529 0.069 -9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.878 -0.602 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.467 -1.322 -11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.284 -1.718 -10.730 1.00 0.00 H new ATOM 393 N ASN A 25 -2.067 3.801 -8.798 1.00 0.00 N ATOM 394 CA ASN A 25 -1.407 4.894 -9.491 1.00 0.00 C ATOM 395 C ASN A 25 -1.545 6.174 -8.664 1.00 0.00 C ATOM 396 O ASN A 25 -0.633 6.998 -8.633 1.00 0.00 O ATOM 397 CB ASN A 25 -2.045 5.144 -10.859 1.00 0.00 C ATOM 398 CG ASN A 25 -1.021 5.707 -11.847 1.00 0.00 C ATOM 399 OD1 ASN A 25 -0.622 6.858 -11.779 1.00 0.00 O ATOM 400 ND2 ASN A 25 -0.620 4.834 -12.767 1.00 0.00 N ATOM 0 H ASN A 25 -2.437 4.041 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.359 4.624 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.457 4.213 -11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.876 5.841 -10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.062 5.113 -13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.994 3.885 -12.767 1.00 0.00 H new ATOM 407 N ALA A 26 -2.693 6.300 -8.015 1.00 0.00 N ATOM 408 CA ALA A 26 -2.963 7.466 -7.191 1.00 0.00 C ATOM 409 C ALA A 26 -1.834 7.636 -6.171 1.00 0.00 C ATOM 410 O ALA A 26 -1.051 6.714 -5.948 1.00 0.00 O ATOM 411 CB ALA A 26 -4.332 7.315 -6.525 1.00 0.00 C ATOM 0 H ALA A 26 -3.447 5.614 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.995 8.368 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.534 8.190 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.102 7.226 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.337 6.421 -5.901 1.00 0.00 H new ATOM 417 N SER A 27 -1.787 8.820 -5.580 1.00 0.00 N ATOM 418 CA SER A 27 -0.768 9.123 -4.590 1.00 0.00 C ATOM 419 C SER A 27 -1.423 9.615 -3.298 1.00 0.00 C ATOM 420 O SER A 27 -1.412 10.811 -3.009 1.00 0.00 O ATOM 421 CB SER A 27 0.218 10.167 -5.116 1.00 0.00 C ATOM 422 OG SER A 27 0.062 10.392 -6.515 1.00 0.00 O ATOM 0 H SER A 27 -2.439 9.582 -5.768 1.00 0.00 H new ATOM 0 HA SER A 27 -0.211 8.209 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.073 11.105 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.237 9.838 -4.913 1.00 0.00 H new ATOM 0 HG SER A 27 0.708 11.066 -6.812 1.00 0.00 H new ATOM 428 N PHE A 28 -1.978 8.668 -2.556 1.00 0.00 N ATOM 429 CA PHE A 28 -2.637 8.991 -1.301 1.00 0.00 C ATOM 430 C PHE A 28 -1.875 10.081 -0.546 1.00 0.00 C ATOM 431 O PHE A 28 -2.481 10.935 0.099 1.00 0.00 O ATOM 432 CB PHE A 28 -2.645 7.714 -0.459 1.00 0.00 C ATOM 433 CG PHE A 28 -1.358 6.892 -0.562 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.242 7.290 0.106 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.330 5.765 -1.323 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.952 6.527 0.009 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.136 5.002 -1.419 1.00 0.00 C ATOM 438 CZ PHE A 28 0.980 5.400 -0.751 1.00 0.00 C ATOM 0 H PHE A 28 -1.985 7.677 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.645 9.358 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.811 7.980 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.486 7.093 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.264 8.185 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.216 5.450 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.838 6.842 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.114 4.106 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.889 4.821 -0.824 1.00 0.00 H new ATOM 448 N VAL A 29 -0.555 10.018 -0.652 1.00 0.00 N ATOM 449 CA VAL A 29 0.296 10.989 0.013 1.00 0.00 C ATOM 450 C VAL A 29 -0.351 12.373 -0.074 1.00 0.00 C ATOM 451 O VAL A 29 -1.087 12.775 0.825 1.00 0.00 O ATOM 452 CB VAL A 29 1.704 10.948 -0.586 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.599 9.976 0.184 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.656 10.589 -2.073 1.00 0.00 C ATOM 0 H VAL A 29 -0.055 9.309 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 29 0.400 10.745 1.070 1.00 0.00 H new ATOM 0 HB VAL A 29 2.136 11.944 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.593 9.966 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.671 10.294 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.171 8.974 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.669 10.567 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.195 9.609 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.070 11.336 -2.609 1.00 0.00 H new ATOM 464 N GLU A 30 -0.053 13.062 -1.165 1.00 0.00 N ATOM 465 CA GLU A 30 -0.596 14.392 -1.382 1.00 0.00 C ATOM 466 C GLU A 30 -1.855 14.317 -2.248 1.00 0.00 C ATOM 467 O GLU A 30 -2.824 15.035 -2.005 1.00 0.00 O ATOM 468 CB GLU A 30 0.449 15.316 -2.012 1.00 0.00 C ATOM 469 CG GLU A 30 0.075 16.785 -1.809 1.00 0.00 C ATOM 470 CD GLU A 30 -0.829 17.282 -2.940 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.061 17.215 -2.823 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.207 17.752 -3.968 1.00 0.00 O ATOM 0 H GLU A 30 0.558 12.724 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.869 14.813 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.426 15.121 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.533 15.102 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.433 16.906 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.979 17.392 -1.768 1.00 0.00 H new ATOM 480 N ASP A 31 -1.800 13.441 -3.241 1.00 0.00 N ATOM 481 CA ASP A 31 -2.923 13.263 -4.145 1.00 0.00 C ATOM 482 C ASP A 31 -4.228 13.336 -3.350 1.00 0.00 C ATOM 483 O ASP A 31 -5.085 14.172 -3.632 1.00 0.00 O ATOM 484 CB ASP A 31 -2.865 11.897 -4.833 1.00 0.00 C ATOM 485 CG ASP A 31 -3.615 11.812 -6.164 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.804 11.463 -6.205 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.919 12.125 -7.203 1.00 0.00 O ATOM 0 H ASP A 31 -0.995 12.847 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.877 14.049 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.820 11.637 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.273 11.148 -4.155 1.00 0.00 H new ATOM 493 N LEU A 32 -4.339 12.449 -2.371 1.00 0.00 N ATOM 494 CA LEU A 32 -5.525 12.403 -1.533 1.00 0.00 C ATOM 495 C LEU A 32 -5.210 13.036 -0.176 1.00 0.00 C ATOM 496 O LEU A 32 -5.600 14.172 0.088 1.00 0.00 O ATOM 497 CB LEU A 32 -6.057 10.972 -1.436 1.00 0.00 C ATOM 498 CG LEU A 32 -6.521 10.338 -2.749 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.554 9.241 -3.200 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.957 9.824 -2.632 1.00 0.00 C ATOM 0 H LEU A 32 -3.627 11.757 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.330 12.988 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.276 10.343 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.893 10.963 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.517 11.108 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.907 8.807 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.563 9.669 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.503 8.465 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.262 9.378 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.012 9.074 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.622 10.653 -2.391 1.00 0.00 H new ATOM 512 N GLY A 33 -4.509 12.272 0.648 1.00 0.00 N ATOM 513 CA GLY A 33 -4.137 12.744 1.972 1.00 0.00 C ATOM 514 C GLY A 33 -3.814 11.572 2.901 1.00 0.00 C ATOM 515 O GLY A 33 -4.718 10.932 3.436 1.00 0.00 O ATOM 0 H GLY A 33 -4.189 11.330 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.272 13.403 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.951 13.334 2.394 1.00 0.00 H new ATOM 519 N ALA A 34 -2.522 11.326 3.064 1.00 0.00 N ATOM 520 CA ALA A 34 -2.068 10.243 3.919 1.00 0.00 C ATOM 521 C ALA A 34 -0.703 10.602 4.508 1.00 0.00 C ATOM 522 O ALA A 34 0.332 10.214 3.967 1.00 0.00 O ATOM 523 CB ALA A 34 -2.033 8.940 3.117 1.00 0.00 C ATOM 0 H ALA A 34 -1.775 11.859 2.618 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.757 10.096 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.692 8.127 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.033 8.715 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.349 9.049 2.275 1.00 0.00 H new ATOM 529 N ASP A 35 -0.744 11.338 5.609 1.00 0.00 N ATOM 530 CA ASP A 35 0.477 11.754 6.277 1.00 0.00 C ATOM 531 C ASP A 35 0.439 11.289 7.735 1.00 0.00 C ATOM 532 O ASP A 35 1.065 11.899 8.601 1.00 0.00 O ATOM 533 CB ASP A 35 0.618 13.277 6.270 1.00 0.00 C ATOM 534 CG ASP A 35 1.634 13.828 5.268 1.00 0.00 C ATOM 535 OD1 ASP A 35 1.532 13.584 4.056 1.00 0.00 O ATOM 536 OD2 ASP A 35 2.574 14.546 5.782 1.00 0.00 O ATOM 0 H ASP A 35 -1.604 11.657 6.055 1.00 0.00 H new ATOM 0 HA ASP A 35 1.320 11.312 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.356 13.716 6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.902 13.605 7.270 1.00 0.00 H new ATOM 542 N SER A 36 -0.301 10.214 7.960 1.00 0.00 N ATOM 543 CA SER A 36 -0.429 9.661 9.298 1.00 0.00 C ATOM 544 C SER A 36 -0.369 8.133 9.240 1.00 0.00 C ATOM 545 O SER A 36 0.673 7.539 9.511 1.00 0.00 O ATOM 546 CB SER A 36 -1.731 10.116 9.960 1.00 0.00 C ATOM 547 OG SER A 36 -2.010 9.382 11.149 1.00 0.00 O ATOM 0 H SER A 36 -0.818 9.711 7.239 1.00 0.00 H new ATOM 0 HA SER A 36 0.401 10.029 9.901 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.666 11.178 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.556 9.996 9.258 1.00 0.00 H new ATOM 0 HG SER A 36 -2.848 9.703 11.543 1.00 0.00 H new ATOM 553 N LEU A 37 -1.500 7.541 8.886 1.00 0.00 N ATOM 554 CA LEU A 37 -1.589 6.094 8.789 1.00 0.00 C ATOM 555 C LEU A 37 -1.275 5.663 7.355 1.00 0.00 C ATOM 556 O LEU A 37 -1.821 4.675 6.867 1.00 0.00 O ATOM 557 CB LEU A 37 -2.949 5.606 9.294 1.00 0.00 C ATOM 558 CG LEU A 37 -3.595 6.446 10.398 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.922 7.043 9.925 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.758 5.631 11.682 1.00 0.00 C ATOM 0 H LEU A 37 -2.363 8.037 8.663 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.847 5.623 9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.635 5.564 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.834 4.586 9.661 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.931 7.279 10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.361 7.635 10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.746 7.680 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.606 6.239 9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.219 6.251 12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.391 4.766 11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.780 5.295 12.026 1.00 0.00 H new ATOM 572 N ASP A 38 -0.395 6.424 6.722 1.00 0.00 N ATOM 573 CA ASP A 38 -0.001 6.133 5.354 1.00 0.00 C ATOM 574 C ASP A 38 0.854 4.865 5.333 1.00 0.00 C ATOM 575 O ASP A 38 0.418 3.825 4.842 1.00 0.00 O ATOM 576 CB ASP A 38 0.830 7.274 4.765 1.00 0.00 C ATOM 577 CG ASP A 38 1.315 7.049 3.332 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.274 7.961 2.493 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.756 5.862 3.086 1.00 0.00 O ATOM 0 H ASP A 38 0.057 7.242 7.131 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.907 6.005 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.236 8.187 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.697 7.439 5.404 1.00 0.00 H new ATOM 585 N THR A 39 2.058 4.993 5.872 1.00 0.00 N ATOM 586 CA THR A 39 2.979 3.870 5.922 1.00 0.00 C ATOM 587 C THR A 39 2.751 3.049 7.193 1.00 0.00 C ATOM 588 O THR A 39 2.406 1.871 7.122 1.00 0.00 O ATOM 589 CB THR A 39 4.401 4.419 5.799 1.00 0.00 C ATOM 590 OG1 THR A 39 4.682 4.349 4.404 1.00 0.00 O ATOM 591 CG2 THR A 39 5.442 3.496 6.436 1.00 0.00 C ATOM 0 H THR A 39 2.417 5.857 6.278 1.00 0.00 H new ATOM 0 HA THR A 39 2.809 3.182 5.094 1.00 0.00 H new ATOM 0 HB THR A 39 4.452 5.402 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.995 5.223 4.089 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.434 3.932 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.220 3.374 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.414 2.523 5.945 1.00 0.00 H new ATOM 599 N VAL A 40 2.954 3.705 8.326 1.00 0.00 N ATOM 600 CA VAL A 40 2.775 3.051 9.611 1.00 0.00 C ATOM 601 C VAL A 40 1.719 1.952 9.477 1.00 0.00 C ATOM 602 O VAL A 40 1.961 0.804 9.846 1.00 0.00 O ATOM 603 CB VAL A 40 2.427 4.087 10.682 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.153 3.413 12.028 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.534 5.136 10.809 1.00 0.00 C ATOM 0 H VAL A 40 3.241 4.682 8.381 1.00 0.00 H new ATOM 0 HA VAL A 40 3.702 2.574 9.929 1.00 0.00 H new ATOM 0 HB VAL A 40 1.515 4.597 10.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.908 4.171 12.772 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.316 2.722 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.039 2.865 12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.262 5.861 11.577 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.468 4.647 11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.661 5.648 9.855 1.00 0.00 H new ATOM 615 N GLU A 41 0.568 2.343 8.948 1.00 0.00 N ATOM 616 CA GLU A 41 -0.526 1.406 8.760 1.00 0.00 C ATOM 617 C GLU A 41 -0.206 0.438 7.619 1.00 0.00 C ATOM 618 O GLU A 41 -0.120 -0.770 7.831 1.00 0.00 O ATOM 619 CB GLU A 41 -1.841 2.143 8.502 1.00 0.00 C ATOM 620 CG GLU A 41 -2.886 1.791 9.563 1.00 0.00 C ATOM 621 CD GLU A 41 -2.610 2.534 10.872 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.444 2.690 11.262 1.00 0.00 O ATOM 623 OE2 GLU A 41 -3.660 2.957 11.490 1.00 0.00 O ATOM 0 H GLU A 41 0.370 3.296 8.644 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.646 0.829 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.665 3.219 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.220 1.883 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.881 2.047 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.879 0.716 9.743 1.00 0.00 H new ATOM 631 N LEU A 42 -0.040 1.006 6.434 1.00 0.00 N ATOM 632 CA LEU A 42 0.268 0.208 5.259 1.00 0.00 C ATOM 633 C LEU A 42 1.258 -0.894 5.641 1.00 0.00 C ATOM 634 O LEU A 42 1.130 -2.031 5.190 1.00 0.00 O ATOM 635 CB LEU A 42 0.756 1.103 4.117 1.00 0.00 C ATOM 636 CG LEU A 42 1.472 0.392 2.967 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.672 1.335 1.779 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.791 -0.223 3.439 1.00 0.00 C ATOM 0 H LEU A 42 -0.113 2.009 6.262 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.630 -0.285 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.102 1.638 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.431 1.852 4.532 1.00 0.00 H new ATOM 0 HG LEU A 42 0.839 -0.427 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.183 0.805 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.702 1.684 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.273 2.189 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.280 -0.722 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.442 0.562 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.593 -0.948 4.228 1.00 0.00 H new ATOM 650 N VAL A 43 2.221 -0.519 6.470 1.00 0.00 N ATOM 651 CA VAL A 43 3.232 -1.462 6.918 1.00 0.00 C ATOM 652 C VAL A 43 2.549 -2.741 7.408 1.00 0.00 C ATOM 653 O VAL A 43 2.708 -3.803 6.809 1.00 0.00 O ATOM 654 CB VAL A 43 4.119 -0.813 7.982 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.308 -1.711 8.328 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.590 0.572 7.532 1.00 0.00 C ATOM 0 H VAL A 43 2.323 0.425 6.843 1.00 0.00 H new ATOM 0 HA VAL A 43 3.888 -1.739 6.093 1.00 0.00 H new ATOM 0 HB VAL A 43 3.521 -0.687 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.922 -1.226 9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.944 -2.665 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.906 -1.884 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.219 1.012 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.162 0.480 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.725 1.212 7.360 1.00 0.00 H new ATOM 666 N MET A 44 1.803 -2.596 8.493 1.00 0.00 N ATOM 667 CA MET A 44 1.095 -3.726 9.071 1.00 0.00 C ATOM 668 C MET A 44 0.373 -4.532 7.989 1.00 0.00 C ATOM 669 O MET A 44 0.546 -5.746 7.896 1.00 0.00 O ATOM 670 CB MET A 44 0.077 -3.221 10.096 1.00 0.00 C ATOM 671 CG MET A 44 0.751 -2.926 11.438 1.00 0.00 C ATOM 672 SD MET A 44 -0.239 -3.577 12.773 1.00 0.00 S ATOM 673 CE MET A 44 0.579 -5.142 13.031 1.00 0.00 C ATOM 0 H MET A 44 1.673 -1.713 8.987 1.00 0.00 H new ATOM 0 HA MET A 44 1.822 -4.376 9.558 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.405 -2.318 9.721 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.706 -3.967 10.234 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.746 -3.372 11.461 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.881 -1.851 11.561 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.084 -5.683 13.838 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.532 -5.732 12.116 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.622 -4.968 13.297 1.00 0.00 H new ATOM 683 N ALA A 45 -0.420 -3.823 7.199 1.00 0.00 N ATOM 684 CA ALA A 45 -1.169 -4.458 6.127 1.00 0.00 C ATOM 685 C ALA A 45 -0.200 -5.194 5.201 1.00 0.00 C ATOM 686 O ALA A 45 -0.260 -6.417 5.079 1.00 0.00 O ATOM 687 CB ALA A 45 -1.995 -3.403 5.388 1.00 0.00 C ATOM 0 H ALA A 45 -0.560 -2.816 7.279 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.865 -5.195 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.557 -3.878 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.688 -2.930 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.330 -2.648 4.969 1.00 0.00 H new ATOM 693 N LEU A 46 0.671 -4.420 4.571 1.00 0.00 N ATOM 694 CA LEU A 46 1.652 -4.983 3.659 1.00 0.00 C ATOM 695 C LEU A 46 2.445 -6.075 4.381 1.00 0.00 C ATOM 696 O LEU A 46 3.054 -6.931 3.741 1.00 0.00 O ATOM 697 CB LEU A 46 2.527 -3.879 3.064 1.00 0.00 C ATOM 698 CG LEU A 46 1.879 -3.024 1.972 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.898 -2.070 1.346 1.00 0.00 C ATOM 700 CD2 LEU A 46 1.196 -3.903 0.922 1.00 0.00 C ATOM 0 H LEU A 46 0.718 -3.406 4.674 1.00 0.00 H new ATOM 0 HA LEU A 46 1.156 -5.456 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.846 -3.220 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.426 -4.338 2.653 1.00 0.00 H new ATOM 0 HG LEU A 46 1.104 -2.410 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.412 -1.474 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.298 -1.410 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.711 -2.645 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.743 -3.272 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.934 -4.559 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.423 -4.506 1.399 1.00 0.00 H new ATOM 712 N GLU A 47 2.412 -6.009 5.704 1.00 0.00 N ATOM 713 CA GLU A 47 3.120 -6.980 6.519 1.00 0.00 C ATOM 714 C GLU A 47 2.279 -8.248 6.685 1.00 0.00 C ATOM 715 O GLU A 47 2.760 -9.353 6.437 1.00 0.00 O ATOM 716 CB GLU A 47 3.492 -6.388 7.880 1.00 0.00 C ATOM 717 CG GLU A 47 4.814 -5.622 7.801 1.00 0.00 C ATOM 718 CD GLU A 47 5.940 -6.400 8.484 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.566 -7.265 7.853 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.157 -6.080 9.714 1.00 0.00 O ATOM 0 H GLU A 47 1.906 -5.298 6.231 1.00 0.00 H new ATOM 0 HA GLU A 47 4.046 -7.245 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.700 -5.720 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.573 -7.186 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.072 -5.442 6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.702 -4.647 8.274 1.00 0.00 H new ATOM 728 N GLU A 48 1.038 -8.046 7.102 1.00 0.00 N ATOM 729 CA GLU A 48 0.126 -9.159 7.304 1.00 0.00 C ATOM 730 C GLU A 48 -0.202 -9.826 5.966 1.00 0.00 C ATOM 731 O GLU A 48 -0.383 -11.040 5.902 1.00 0.00 O ATOM 732 CB GLU A 48 -1.149 -8.701 8.015 1.00 0.00 C ATOM 733 CG GLU A 48 -1.235 -9.294 9.423 1.00 0.00 C ATOM 734 CD GLU A 48 -2.305 -10.386 9.493 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.727 -10.908 8.451 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.699 -10.687 10.684 1.00 0.00 O ATOM 0 H GLU A 48 0.642 -7.128 7.306 1.00 0.00 H new ATOM 0 HA GLU A 48 0.616 -9.893 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.166 -7.613 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.021 -9.003 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.268 -9.709 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.467 -8.506 10.140 1.00 0.00 H new ATOM 744 N GLU A 49 -0.268 -9.001 4.931 1.00 0.00 N ATOM 745 CA GLU A 49 -0.570 -9.496 3.599 1.00 0.00 C ATOM 746 C GLU A 49 0.175 -10.806 3.337 1.00 0.00 C ATOM 747 O GLU A 49 -0.447 -11.843 3.109 1.00 0.00 O ATOM 748 CB GLU A 49 -0.230 -8.450 2.535 1.00 0.00 C ATOM 749 CG GLU A 49 -1.008 -8.708 1.244 1.00 0.00 C ATOM 750 CD GLU A 49 -0.180 -9.540 0.262 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.052 -9.410 0.225 1.00 0.00 O ATOM 752 OE2 GLU A 49 -0.862 -10.345 -0.481 1.00 0.00 O ATOM 0 H GLU A 49 -0.118 -7.994 4.988 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.641 -9.692 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.463 -7.454 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.840 -8.470 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.938 -9.228 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.280 -7.758 0.783 1.00 0.00 H new ATOM 760 N PHE A 50 1.496 -10.717 3.379 1.00 0.00 N ATOM 761 CA PHE A 50 2.332 -11.883 3.149 1.00 0.00 C ATOM 762 C PHE A 50 3.393 -12.021 4.243 1.00 0.00 C ATOM 763 O PHE A 50 3.343 -12.950 5.047 1.00 0.00 O ATOM 764 CB PHE A 50 3.030 -11.675 1.803 1.00 0.00 C ATOM 765 CG PHE A 50 2.546 -12.618 0.699 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.214 -12.785 0.483 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.449 -13.289 -0.065 1.00 0.00 C ATOM 768 CE1 PHE A 50 0.765 -13.660 -0.541 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.000 -14.165 -1.089 1.00 0.00 C ATOM 770 CZ PHE A 50 1.668 -14.332 -1.306 1.00 0.00 C ATOM 0 H PHE A 50 2.008 -9.856 3.569 1.00 0.00 H new ATOM 0 HA PHE A 50 1.721 -12.786 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.876 -10.645 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.103 -11.810 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.497 -12.252 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.507 -13.156 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.293 -13.792 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.717 -14.699 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.327 -14.998 -2.085 1.00 0.00 H new ATOM 780 N ASP A 51 4.328 -11.082 4.238 1.00 0.00 N ATOM 781 CA ASP A 51 5.399 -11.088 5.220 1.00 0.00 C ATOM 782 C ASP A 51 6.547 -10.208 4.721 1.00 0.00 C ATOM 783 O ASP A 51 7.446 -10.687 4.032 1.00 0.00 O ATOM 784 CB ASP A 51 5.944 -12.501 5.433 1.00 0.00 C ATOM 785 CG ASP A 51 5.526 -13.166 6.746 1.00 0.00 C ATOM 786 OD1 ASP A 51 4.587 -12.715 7.419 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.217 -14.203 7.077 1.00 0.00 O ATOM 0 H ASP A 51 4.366 -10.312 3.570 1.00 0.00 H new ATOM 0 HA ASP A 51 4.996 -10.712 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.616 -13.129 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.033 -12.464 5.393 1.00 0.00 H new ATOM 793 N THR A 52 6.480 -8.937 5.090 1.00 0.00 N ATOM 794 CA THR A 52 7.502 -7.986 4.689 1.00 0.00 C ATOM 795 C THR A 52 7.217 -6.610 5.292 1.00 0.00 C ATOM 796 O THR A 52 6.207 -5.985 4.970 1.00 0.00 O ATOM 797 CB THR A 52 7.567 -7.979 3.160 1.00 0.00 C ATOM 798 OG1 THR A 52 8.414 -6.874 2.854 1.00 0.00 O ATOM 799 CG2 THR A 52 6.228 -7.610 2.519 1.00 0.00 C ATOM 0 H THR A 52 5.733 -8.544 5.663 1.00 0.00 H new ATOM 0 HA THR A 52 8.482 -8.275 5.069 1.00 0.00 H new ATOM 0 HB THR A 52 7.881 -8.961 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.870 -6.067 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.329 -7.620 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.469 -8.333 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.930 -6.614 2.847 1.00 0.00 H new ATOM 807 N GLU A 53 8.123 -6.177 6.155 1.00 0.00 N ATOM 808 CA GLU A 53 7.982 -4.886 6.806 1.00 0.00 C ATOM 809 C GLU A 53 8.431 -3.766 5.866 1.00 0.00 C ATOM 810 O GLU A 53 9.625 -3.583 5.639 1.00 0.00 O ATOM 811 CB GLU A 53 8.764 -4.846 8.120 1.00 0.00 C ATOM 812 CG GLU A 53 10.181 -5.389 7.932 1.00 0.00 C ATOM 813 CD GLU A 53 11.213 -4.470 8.589 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.006 -4.017 9.725 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.262 -4.230 7.877 1.00 0.00 O ATOM 0 H GLU A 53 8.959 -6.698 6.419 1.00 0.00 H new ATOM 0 HA GLU A 53 6.929 -4.734 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.810 -3.821 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.243 -5.434 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.252 -6.388 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.399 -5.485 6.868 1.00 0.00 H new ATOM 823 N ILE A 54 7.448 -3.045 5.344 1.00 0.00 N ATOM 824 CA ILE A 54 7.728 -1.948 4.434 1.00 0.00 C ATOM 825 C ILE A 54 8.758 -1.012 5.070 1.00 0.00 C ATOM 826 O ILE A 54 8.469 -0.348 6.064 1.00 0.00 O ATOM 827 CB ILE A 54 6.430 -1.247 4.026 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.568 -0.597 2.648 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.992 -0.241 5.093 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.639 0.496 2.661 1.00 0.00 C ATOM 0 H ILE A 54 6.458 -3.200 5.534 1.00 0.00 H new ATOM 0 HA ILE A 54 8.166 -2.323 3.509 1.00 0.00 H new ATOM 0 HB ILE A 54 5.645 -1.999 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.826 -1.355 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.612 -0.170 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.067 0.243 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.827 -0.760 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.769 0.512 5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.716 0.941 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.366 1.265 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.599 0.061 2.939 1.00 0.00 H new ATOM 842 N PRO A 55 9.971 -0.991 4.456 1.00 0.00 N ATOM 843 CA PRO A 55 11.046 -0.148 4.951 1.00 0.00 C ATOM 844 C PRO A 55 10.801 1.320 4.595 1.00 0.00 C ATOM 845 O PRO A 55 10.266 1.623 3.530 1.00 0.00 O ATOM 846 CB PRO A 55 12.309 -0.709 4.319 1.00 0.00 C ATOM 847 CG PRO A 55 11.847 -1.545 3.136 1.00 0.00 C ATOM 848 CD PRO A 55 10.350 -1.765 3.277 1.00 0.00 C ATOM 0 HA PRO A 55 11.122 -0.159 6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.973 0.093 3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.866 -1.316 5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.071 -1.036 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.373 -2.500 3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.815 -1.424 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.115 -2.822 3.405 1.00 0.00 H new ATOM 856 N ASP A 56 11.203 2.192 5.508 1.00 0.00 N ATOM 857 CA ASP A 56 11.034 3.620 5.304 1.00 0.00 C ATOM 858 C ASP A 56 11.496 3.988 3.892 1.00 0.00 C ATOM 859 O ASP A 56 10.706 4.474 3.084 1.00 0.00 O ATOM 860 CB ASP A 56 11.874 4.422 6.300 1.00 0.00 C ATOM 861 CG ASP A 56 11.677 5.938 6.239 1.00 0.00 C ATOM 862 OD1 ASP A 56 11.534 6.521 5.154 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.673 6.534 7.383 1.00 0.00 O ATOM 0 H ASP A 56 11.645 1.937 6.391 1.00 0.00 H new ATOM 0 HA ASP A 56 9.980 3.858 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.639 4.081 7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.927 4.200 6.126 1.00 0.00 H new ATOM 869 N GLU A 57 12.773 3.742 3.639 1.00 0.00 N ATOM 870 CA GLU A 57 13.349 4.041 2.339 1.00 0.00 C ATOM 871 C GLU A 57 12.366 3.674 1.226 1.00 0.00 C ATOM 872 O GLU A 57 12.386 4.274 0.152 1.00 0.00 O ATOM 873 CB GLU A 57 14.685 3.318 2.152 1.00 0.00 C ATOM 874 CG GLU A 57 14.506 1.801 2.254 1.00 0.00 C ATOM 875 CD GLU A 57 15.387 1.076 1.235 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.382 1.432 0.047 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.095 0.111 1.715 1.00 0.00 O ATOM 0 H GLU A 57 13.425 3.339 4.312 1.00 0.00 H new ATOM 0 HA GLU A 57 13.543 5.112 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.108 3.573 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.394 3.656 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.759 1.468 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.461 1.542 2.086 1.00 0.00 H new ATOM 885 N GLU A 58 11.529 2.689 1.520 1.00 0.00 N ATOM 886 CA GLU A 58 10.540 2.235 0.557 1.00 0.00 C ATOM 887 C GLU A 58 9.204 2.942 0.795 1.00 0.00 C ATOM 888 O GLU A 58 8.597 3.460 -0.141 1.00 0.00 O ATOM 889 CB GLU A 58 10.375 0.715 0.616 1.00 0.00 C ATOM 890 CG GLU A 58 11.068 0.042 -0.571 1.00 0.00 C ATOM 891 CD GLU A 58 10.048 -0.630 -1.492 1.00 0.00 C ATOM 892 OE1 GLU A 58 8.846 -0.341 -1.401 1.00 0.00 O ATOM 893 OE2 GLU A 58 10.544 -1.480 -2.326 1.00 0.00 O ATOM 0 H GLU A 58 11.516 2.193 2.411 1.00 0.00 H new ATOM 0 HA GLU A 58 10.891 2.491 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.793 0.336 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.315 0.460 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.637 0.783 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.780 -0.699 -0.208 1.00 0.00 H new ATOM 901 N ALA A 59 8.786 2.939 2.052 1.00 0.00 N ATOM 902 CA ALA A 59 7.533 3.574 2.424 1.00 0.00 C ATOM 903 C ALA A 59 7.386 4.892 1.661 1.00 0.00 C ATOM 904 O ALA A 59 6.290 5.246 1.232 1.00 0.00 O ATOM 905 CB ALA A 59 7.491 3.770 3.941 1.00 0.00 C ATOM 0 H ALA A 59 9.292 2.507 2.825 1.00 0.00 H new ATOM 0 HA ALA A 59 6.688 2.942 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.551 4.246 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.568 2.802 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.324 4.402 4.249 1.00 0.00 H new ATOM 911 N GLU A 60 8.508 5.582 1.516 1.00 0.00 N ATOM 912 CA GLU A 60 8.518 6.853 0.812 1.00 0.00 C ATOM 913 C GLU A 60 8.583 6.623 -0.699 1.00 0.00 C ATOM 914 O GLU A 60 7.925 7.324 -1.466 1.00 0.00 O ATOM 915 CB GLU A 60 9.680 7.731 1.283 1.00 0.00 C ATOM 916 CG GLU A 60 9.414 9.205 0.972 1.00 0.00 C ATOM 917 CD GLU A 60 10.724 9.963 0.749 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.335 9.845 -0.324 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.104 10.698 1.739 1.00 0.00 O ATOM 0 H GLU A 60 9.416 5.285 1.874 1.00 0.00 H new ATOM 0 HA GLU A 60 7.591 7.380 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.826 7.603 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.602 7.413 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.787 9.286 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.862 9.660 1.794 1.00 0.00 H new ATOM 927 N LYS A 61 9.382 5.637 -1.082 1.00 0.00 N ATOM 928 CA LYS A 61 9.540 5.306 -2.487 1.00 0.00 C ATOM 929 C LYS A 61 8.239 4.697 -3.013 1.00 0.00 C ATOM 930 O LYS A 61 8.089 4.488 -4.216 1.00 0.00 O ATOM 931 CB LYS A 61 10.765 4.411 -2.692 1.00 0.00 C ATOM 932 CG LYS A 61 11.805 5.100 -3.578 1.00 0.00 C ATOM 933 CD LYS A 61 12.793 4.084 -4.155 1.00 0.00 C ATOM 934 CE LYS A 61 14.093 4.767 -4.586 1.00 0.00 C ATOM 935 NZ LYS A 61 14.003 5.209 -5.995 1.00 0.00 N ATOM 0 H LYS A 61 9.926 5.057 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 61 9.730 6.206 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.208 4.168 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.460 3.469 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.304 5.627 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.345 5.848 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.010 3.319 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.343 3.579 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.292 5.624 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.929 4.078 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.893 5.670 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.835 4.385 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.217 5.883 -6.098 1.00 0.00 H new ATOM 948 N ILE A 62 7.332 4.429 -2.086 1.00 0.00 N ATOM 949 CA ILE A 62 6.048 3.847 -2.441 1.00 0.00 C ATOM 950 C ILE A 62 4.943 4.880 -2.208 1.00 0.00 C ATOM 951 O ILE A 62 3.800 4.520 -1.934 1.00 0.00 O ATOM 952 CB ILE A 62 5.829 2.533 -1.690 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.579 2.786 -0.202 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.995 1.569 -1.920 1.00 0.00 C ATOM 955 CD1 ILE A 62 5.214 1.488 0.521 1.00 0.00 C ATOM 0 H ILE A 62 7.460 4.604 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 62 6.026 3.589 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 62 4.934 2.057 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.470 3.221 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.774 3.511 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.814 0.643 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.083 1.352 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.919 2.025 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.041 1.696 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.309 1.069 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.031 0.773 0.421 1.00 0.00 H new ATOM 967 N THR A 63 5.324 6.144 -2.327 1.00 0.00 N ATOM 968 CA THR A 63 4.380 7.231 -2.132 1.00 0.00 C ATOM 969 C THR A 63 3.010 6.855 -2.698 1.00 0.00 C ATOM 970 O THR A 63 1.982 7.311 -2.199 1.00 0.00 O ATOM 971 CB THR A 63 4.974 8.491 -2.765 1.00 0.00 C ATOM 972 OG1 THR A 63 3.837 9.291 -3.078 1.00 0.00 O ATOM 973 CG2 THR A 63 5.621 8.215 -4.124 1.00 0.00 C ATOM 0 H THR A 63 6.273 6.439 -2.556 1.00 0.00 H new ATOM 0 HA THR A 63 4.216 7.428 -1.073 1.00 0.00 H new ATOM 0 HB THR A 63 5.715 8.921 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.081 9.955 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.026 9.142 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.425 7.489 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.873 7.817 -4.809 1.00 0.00 H new ATOM 981 N THR A 64 3.039 6.027 -3.732 1.00 0.00 N ATOM 982 CA THR A 64 1.811 5.585 -4.371 1.00 0.00 C ATOM 983 C THR A 64 1.539 4.115 -4.044 1.00 0.00 C ATOM 984 O THR A 64 2.409 3.421 -3.520 1.00 0.00 O ATOM 985 CB THR A 64 1.933 5.861 -5.871 1.00 0.00 C ATOM 986 OG1 THR A 64 3.279 5.510 -6.181 1.00 0.00 O ATOM 987 CG2 THR A 64 1.851 7.353 -6.201 1.00 0.00 C ATOM 0 H THR A 64 3.893 5.651 -4.143 1.00 0.00 H new ATOM 0 HA THR A 64 0.949 6.135 -3.994 1.00 0.00 H new ATOM 0 HB THR A 64 1.145 5.328 -6.403 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.444 5.657 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.943 7.493 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.892 7.748 -5.864 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.659 7.882 -5.696 1.00 0.00 H new ATOM 995 N VAL A 65 0.329 3.685 -4.367 1.00 0.00 N ATOM 996 CA VAL A 65 -0.069 2.310 -4.113 1.00 0.00 C ATOM 997 C VAL A 65 0.652 1.386 -5.097 1.00 0.00 C ATOM 998 O VAL A 65 1.179 0.346 -4.705 1.00 0.00 O ATOM 999 CB VAL A 65 -1.592 2.185 -4.182 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.041 0.762 -3.843 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.268 3.206 -3.264 1.00 0.00 C ATOM 0 H VAL A 65 -0.389 4.264 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 65 0.223 2.007 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.900 2.399 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.128 0.700 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.600 0.063 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.715 0.508 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.350 3.096 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.950 3.037 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.986 4.213 -3.570 1.00 0.00 H new ATOM 1011 N GLN A 66 0.652 1.799 -6.356 1.00 0.00 N ATOM 1012 CA GLN A 66 1.299 1.021 -7.399 1.00 0.00 C ATOM 1013 C GLN A 66 2.565 0.355 -6.856 1.00 0.00 C ATOM 1014 O GLN A 66 2.728 -0.859 -6.965 1.00 0.00 O ATOM 1015 CB GLN A 66 1.616 1.892 -8.616 1.00 0.00 C ATOM 1016 CG GLN A 66 2.259 1.064 -9.730 1.00 0.00 C ATOM 1017 CD GLN A 66 1.672 -0.348 -9.773 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.511 -0.556 -10.087 1.00 0.00 O ATOM 1019 NE2 GLN A 66 2.535 -1.303 -9.441 1.00 0.00 N ATOM 0 H GLN A 66 0.214 2.662 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 66 0.611 0.240 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.701 2.355 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.287 2.700 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.103 1.556 -10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.336 1.009 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.493 -1.060 -9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.239 -2.279 -9.439 1.00 0.00 H new ATOM 1028 N ALA A 67 3.430 1.180 -6.283 1.00 0.00 N ATOM 1029 CA ALA A 67 4.676 0.687 -5.723 1.00 0.00 C ATOM 1030 C ALA A 67 4.372 -0.404 -4.694 1.00 0.00 C ATOM 1031 O ALA A 67 4.920 -1.503 -4.768 1.00 0.00 O ATOM 1032 CB ALA A 67 5.462 1.853 -5.120 1.00 0.00 C ATOM 0 H ALA A 67 3.292 2.187 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 67 5.297 0.243 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.397 1.483 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.678 2.586 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.871 2.322 -4.333 1.00 0.00 H new ATOM 1038 N ALA A 68 3.499 -0.063 -3.758 1.00 0.00 N ATOM 1039 CA ALA A 68 3.115 -0.999 -2.715 1.00 0.00 C ATOM 1040 C ALA A 68 2.993 -2.402 -3.315 1.00 0.00 C ATOM 1041 O ALA A 68 3.238 -3.396 -2.633 1.00 0.00 O ATOM 1042 CB ALA A 68 1.813 -0.530 -2.061 1.00 0.00 C ATOM 0 H ALA A 68 3.046 0.849 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 68 3.876 -1.038 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.525 -1.232 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.960 0.458 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.025 -0.481 -2.813 1.00 0.00 H new ATOM 1048 N ILE A 69 2.616 -2.437 -4.585 1.00 0.00 N ATOM 1049 CA ILE A 69 2.459 -3.701 -5.284 1.00 0.00 C ATOM 1050 C ILE A 69 3.822 -4.163 -5.806 1.00 0.00 C ATOM 1051 O ILE A 69 4.241 -5.289 -5.545 1.00 0.00 O ATOM 1052 CB ILE A 69 1.392 -3.582 -6.373 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.038 -3.195 -5.774 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.307 -4.866 -7.200 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.362 -1.779 -6.192 1.00 0.00 C ATOM 0 H ILE A 69 2.415 -1.610 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 69 2.100 -4.472 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 69 1.685 -2.781 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.724 -3.903 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.086 -3.257 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.541 -4.755 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.270 -5.058 -7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.050 -5.702 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.328 -1.529 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.389 -1.071 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.433 -1.727 -7.278 1.00 0.00 H new ATOM 1067 N ASP A 70 4.475 -3.269 -6.533 1.00 0.00 N ATOM 1068 CA ASP A 70 5.781 -3.570 -7.093 1.00 0.00 C ATOM 1069 C ASP A 70 6.729 -3.992 -5.969 1.00 0.00 C ATOM 1070 O ASP A 70 7.759 -4.615 -6.221 1.00 0.00 O ATOM 1071 CB ASP A 70 6.381 -2.343 -7.782 1.00 0.00 C ATOM 1072 CG ASP A 70 7.589 -2.630 -8.677 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.517 -3.451 -9.603 1.00 0.00 O ATOM 1074 OD2 ASP A 70 8.653 -1.959 -8.388 1.00 0.00 O ATOM 0 H ASP A 70 4.124 -2.336 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 70 5.658 -4.370 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.606 -1.868 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.677 -1.624 -7.018 1.00 0.00 H new ATOM 1080 N TYR A 71 6.347 -3.635 -4.751 1.00 0.00 N ATOM 1081 CA TYR A 71 7.150 -3.969 -3.587 1.00 0.00 C ATOM 1082 C TYR A 71 6.789 -5.356 -3.052 1.00 0.00 C ATOM 1083 O TYR A 71 7.663 -6.204 -2.877 1.00 0.00 O ATOM 1084 CB TYR A 71 6.810 -2.921 -2.526 1.00 0.00 C ATOM 1085 CG TYR A 71 6.901 -3.439 -1.089 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.038 -4.093 -0.662 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.845 -3.251 -0.219 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.124 -4.580 0.690 1.00 0.00 C ATOM 1089 CE2 TYR A 71 5.931 -3.738 1.133 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.066 -4.379 1.521 1.00 0.00 C ATOM 1091 OH TYR A 71 7.147 -4.839 2.798 1.00 0.00 O ATOM 0 H TYR A 71 5.492 -3.118 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 71 8.210 -3.978 -3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.485 -2.072 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.800 -2.552 -2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.864 -4.240 -1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.955 -2.739 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.009 -5.093 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.113 -3.597 1.824 1.00 0.00 H new ATOM 0 HH TYR A 71 6.281 -4.725 3.242 1.00 0.00 H new ATOM 1101 N ILE A 72 5.501 -5.544 -2.806 1.00 0.00 N ATOM 1102 CA ILE A 72 5.014 -6.813 -2.294 1.00 0.00 C ATOM 1103 C ILE A 72 5.389 -7.930 -3.271 1.00 0.00 C ATOM 1104 O ILE A 72 5.756 -9.027 -2.854 1.00 0.00 O ATOM 1105 CB ILE A 72 3.515 -6.732 -1.998 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.239 -5.799 -0.817 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.924 -8.126 -1.777 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.338 -6.552 0.511 1.00 0.00 C ATOM 0 H ILE A 72 4.779 -4.838 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 72 5.491 -7.048 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 72 3.017 -6.305 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.952 -4.975 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.245 -5.362 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.858 -8.040 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.071 -8.730 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.422 -8.602 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.138 -5.866 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.607 -7.360 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.340 -6.967 0.620 1.00 0.00 H new ATOM 1120 N ASN A 73 5.282 -7.611 -4.552 1.00 0.00 N ATOM 1121 CA ASN A 73 5.605 -8.574 -5.592 1.00 0.00 C ATOM 1122 C ASN A 73 7.125 -8.704 -5.706 1.00 0.00 C ATOM 1123 O ASN A 73 7.636 -9.768 -6.053 1.00 0.00 O ATOM 1124 CB ASN A 73 5.066 -8.119 -6.950 1.00 0.00 C ATOM 1125 CG ASN A 73 3.895 -8.996 -7.396 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.737 -8.349 -7.485 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 4.033 -10.183 -7.644 1.00 0.00 N flip ATOM 0 H ASN A 73 4.976 -6.700 -4.894 1.00 0.00 H new ATOM 0 HA ASN A 73 5.148 -9.527 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.744 -7.080 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.861 -8.162 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.951 -10.619 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.231 -10.739 -7.940 1.00 0.00 H new ATOM 1134 N GLY A 74 7.805 -7.607 -5.407 1.00 0.00 N ATOM 1135 CA GLY A 74 9.256 -7.585 -5.472 1.00 0.00 C ATOM 1136 C GLY A 74 9.871 -8.099 -4.168 1.00 0.00 C ATOM 1137 O GLY A 74 11.073 -7.958 -3.947 1.00 0.00 O ATOM 0 H GLY A 74 7.378 -6.727 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.596 -8.200 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.600 -6.569 -5.665 1.00 0.00 H new ATOM 1141 N HIS A 75 9.019 -8.683 -3.340 1.00 0.00 N ATOM 1142 CA HIS A 75 9.463 -9.219 -2.064 1.00 0.00 C ATOM 1143 C HIS A 75 8.494 -10.308 -1.599 1.00 0.00 C ATOM 1144 O HIS A 75 8.021 -10.279 -0.464 1.00 0.00 O ATOM 1145 CB HIS A 75 9.635 -8.099 -1.035 1.00 0.00 C ATOM 1146 CG HIS A 75 10.552 -8.454 0.111 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.223 -7.500 0.856 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.902 -9.665 0.630 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.942 -8.121 1.780 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.742 -9.463 1.638 1.00 0.00 N ATOM 0 H HIS A 75 8.023 -8.797 -3.527 1.00 0.00 H new ATOM 0 HA HIS A 75 10.444 -9.680 -2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.025 -7.214 -1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.656 -7.833 -0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.555 -10.626 0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.575 -7.648 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.168 -10.191 2.212 1.00 0.00 H new ATOM 1158 N GLN A 76 8.228 -11.242 -2.500 1.00 0.00 N ATOM 1159 CA GLN A 76 7.324 -12.338 -2.196 1.00 0.00 C ATOM 1160 C GLN A 76 7.950 -13.672 -2.608 1.00 0.00 C ATOM 1161 O GLN A 76 8.852 -13.707 -3.444 1.00 0.00 O ATOM 1162 CB GLN A 76 5.968 -12.136 -2.877 1.00 0.00 C ATOM 1163 CG GLN A 76 6.113 -12.139 -4.400 1.00 0.00 C ATOM 1164 CD GLN A 76 4.746 -12.229 -5.080 1.00 0.00 C ATOM 1165 OE1 GLN A 76 3.826 -11.425 -4.554 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 4.540 -12.978 -6.021 1.00 0.00 N flip ATOM 0 H GLN A 76 8.622 -11.262 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 76 7.154 -12.355 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.283 -12.927 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.531 -11.192 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.624 -11.232 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.733 -12.981 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.291 -13.569 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.616 -13.013 -6.452 1.00 0.00 H new ATOM 1175 N ALA A 77 7.447 -14.737 -2.002 1.00 0.00 N ATOM 1176 CA ALA A 77 7.946 -16.070 -2.295 1.00 0.00 C ATOM 1177 C ALA A 77 6.763 -17.015 -2.520 1.00 0.00 C ATOM 1178 O ALA A 77 5.797 -16.657 -3.191 1.00 0.00 O ATOM 1179 CB ALA A 77 8.857 -16.536 -1.158 1.00 0.00 C ATOM 0 H ALA A 77 6.699 -14.704 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 77 8.542 -16.065 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.231 -17.536 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.697 -15.848 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.293 -16.557 -0.225 1.00 0.00 H new TER 1185 ALA A 77