USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 38 HIS : +bothHN:sc= -3.18 K(o=-3.8,f=-5.6!) USER MOD Set 1.2: A 39 ASN : amide:sc= -0.638 K(o=-3.8,f=-7.7) USER MOD Set 2.1: A 5 MET CE :methyl -177:sc= -0.348 (180deg=-0.354) USER MOD Set 2.2: A 10 CYS SG : rot -61:sc= 0.923 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0693 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 1.13 (180deg=0.934) USER MOD Single : A 6 SER OG : rot 112:sc= 1.45 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 17 SER OG : rot -16:sc= 0.13 USER MOD Single : A 20 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.64) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 28:sc= 0.0387 USER MOD Single : A 27 SER OG : rot 180:sc= 0.122 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -135:sc= -0.176 (180deg=-2.52) USER MOD Single : A 56 SER OG : rot -45:sc= 1.25 USER MOD Single : A 59 SER OG : rot -75:sc= 1.24 USER MOD Single : A 63 SER OG : rot 86:sc= 0.854 USER MOD Single : A 64 MET CE :methyl -129:sc= 0 (180deg=-0.0354) USER MOD Single : A 65 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.19) USER MOD Single : A 71 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.309 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.3) USER MOD Single : A 83 THR OG1 : rot 50:sc= 0.381 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.219 F(o=-4.8!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.342 2.138 13.376 1.00 0.00 N ATOM 2 CA GLY A 1 -15.730 1.677 12.126 1.00 0.00 C ATOM 3 C GLY A 1 -16.604 0.624 11.472 1.00 0.00 C ATOM 4 O GLY A 1 -17.820 0.613 11.675 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.338 3.178 13.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.322 1.794 13.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.801 1.769 14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.593 2.519 11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.741 1.265 12.327 1.00 0.00 H new ATOM 8 N HIS A 2 -15.975 -0.268 10.700 1.00 0.00 N ATOM 9 CA HIS A 2 -16.573 -1.228 9.771 1.00 0.00 C ATOM 10 C HIS A 2 -17.451 -0.585 8.695 1.00 0.00 C ATOM 11 O HIS A 2 -17.806 0.587 8.799 1.00 0.00 O ATOM 12 CB HIS A 2 -17.266 -2.370 10.532 1.00 0.00 C ATOM 13 CG HIS A 2 -16.265 -3.375 11.029 1.00 0.00 C ATOM 14 ND1 HIS A 2 -15.633 -3.384 12.258 1.00 0.00 N ATOM 15 CD2 HIS A 2 -15.833 -4.456 10.316 1.00 0.00 C ATOM 16 CE1 HIS A 2 -14.824 -4.461 12.280 1.00 0.00 C ATOM 17 NE2 HIS A 2 -14.931 -5.124 11.112 1.00 0.00 N ATOM 0 H HIS A 2 -14.958 -0.342 10.710 1.00 0.00 H new ATOM 0 HA HIS A 2 -15.754 -1.671 9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -17.826 -1.963 11.374 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -17.986 -2.862 9.878 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -16.140 -4.734 9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -14.189 -4.748 13.105 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -14.429 -5.976 10.861 1.00 0.00 H new ATOM 26 N SER A 3 -17.789 -1.380 7.679 1.00 0.00 N ATOM 27 CA SER A 3 -18.453 -1.013 6.436 1.00 0.00 C ATOM 28 C SER A 3 -17.897 0.263 5.802 1.00 0.00 C ATOM 29 O SER A 3 -18.199 1.395 6.184 1.00 0.00 O ATOM 30 CB SER A 3 -19.971 -0.978 6.580 1.00 0.00 C ATOM 31 OG SER A 3 -20.525 -1.297 5.316 1.00 0.00 O ATOM 0 H SER A 3 -17.587 -2.379 7.711 1.00 0.00 H new ATOM 0 HA SER A 3 -18.221 -1.812 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.301 -1.692 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.303 0.008 6.907 1.00 0.00 H new ATOM 0 HG SER A 3 -21.503 -1.285 5.375 1.00 0.00 H new ATOM 37 N LYS A 4 -17.057 0.061 4.796 1.00 0.00 N ATOM 38 CA LYS A 4 -16.523 1.109 3.945 1.00 0.00 C ATOM 39 C LYS A 4 -16.275 0.507 2.568 1.00 0.00 C ATOM 40 O LYS A 4 -16.876 -0.516 2.246 1.00 0.00 O ATOM 41 CB LYS A 4 -15.279 1.715 4.608 1.00 0.00 C ATOM 42 CG LYS A 4 -14.238 0.693 5.075 1.00 0.00 C ATOM 43 CD LYS A 4 -12.834 1.233 5.013 1.00 0.00 C ATOM 44 CE LYS A 4 -12.655 2.610 5.630 1.00 0.00 C ATOM 45 NZ LYS A 4 -11.684 2.631 6.740 1.00 0.00 N ATOM 0 H LYS A 4 -16.719 -0.868 4.544 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.218 1.938 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.806 2.399 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.595 2.309 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.463 0.391 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.308 -0.201 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.168 0.534 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.521 1.274 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.329 3.307 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.619 2.966 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.467 3.616 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.088 2.142 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.810 2.149 6.446 1.00 0.00 H new ATOM 59 N MET A 5 -15.365 1.135 1.819 1.00 0.00 N ATOM 60 CA MET A 5 -15.004 1.001 0.416 1.00 0.00 C ATOM 61 C MET A 5 -15.398 -0.373 -0.140 1.00 0.00 C ATOM 62 O MET A 5 -14.587 -1.305 -0.131 1.00 0.00 O ATOM 63 CB MET A 5 -13.480 1.264 0.345 1.00 0.00 C ATOM 64 CG MET A 5 -12.981 1.910 -0.939 1.00 0.00 C ATOM 65 SD MET A 5 -13.304 3.689 -1.029 1.00 0.00 S ATOM 66 CE MET A 5 -12.406 4.073 -2.554 1.00 0.00 C ATOM 0 H MET A 5 -14.784 1.852 2.254 1.00 0.00 H new ATOM 0 HA MET A 5 -15.543 1.713 -0.209 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.201 1.902 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 5 -12.960 0.316 0.479 1.00 0.00 H new ATOM 0 HG2 MET A 5 -11.908 1.739 -1.029 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.454 1.420 -1.790 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.450 5.146 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.366 3.765 -2.451 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.861 3.540 -3.388 1.00 0.00 H new ATOM 76 N SER A 6 -16.659 -0.516 -0.557 1.00 0.00 N ATOM 77 CA SER A 6 -17.189 -1.736 -1.132 1.00 0.00 C ATOM 78 C SER A 6 -16.955 -1.626 -2.629 1.00 0.00 C ATOM 79 O SER A 6 -15.939 -2.067 -3.173 1.00 0.00 O ATOM 80 CB SER A 6 -18.673 -1.953 -0.737 1.00 0.00 C ATOM 81 OG SER A 6 -19.528 -0.827 -0.967 1.00 0.00 O ATOM 0 H SER A 6 -17.347 0.234 -0.499 1.00 0.00 H new ATOM 0 HA SER A 6 -16.687 -2.625 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.061 -2.806 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.718 -2.215 0.320 1.00 0.00 H new ATOM 0 HG SER A 6 -20.159 -1.037 -1.687 1.00 0.00 H new ATOM 87 N ASP A 7 -17.873 -0.944 -3.290 1.00 0.00 N ATOM 88 CA ASP A 7 -18.052 -0.909 -4.714 1.00 0.00 C ATOM 89 C ASP A 7 -17.959 0.543 -5.132 1.00 0.00 C ATOM 90 O ASP A 7 -18.810 1.393 -4.863 1.00 0.00 O ATOM 91 CB ASP A 7 -19.353 -1.588 -5.106 1.00 0.00 C ATOM 92 CG ASP A 7 -20.592 -0.852 -4.592 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.756 -0.768 -3.341 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.362 -0.410 -5.475 1.00 0.00 O ATOM 0 H ASP A 7 -18.556 -0.363 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.280 -1.470 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -19.405 -1.660 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.356 -2.607 -4.718 1.00 0.00 H new ATOM 99 N VAL A 8 -16.803 0.823 -5.707 1.00 0.00 N ATOM 100 CA VAL A 8 -16.250 2.131 -5.955 1.00 0.00 C ATOM 101 C VAL A 8 -15.396 2.062 -7.229 1.00 0.00 C ATOM 102 O VAL A 8 -14.741 3.043 -7.592 1.00 0.00 O ATOM 103 CB VAL A 8 -15.414 2.567 -4.720 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.471 4.091 -4.566 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.802 1.961 -3.349 1.00 0.00 C ATOM 0 H VAL A 8 -16.184 0.082 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.035 2.872 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.421 2.180 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.883 4.391 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.064 4.563 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.506 4.404 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.138 2.351 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.831 2.229 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.710 0.876 -3.392 1.00 0.00 H new ATOM 115 N LYS A 9 -15.406 0.902 -7.910 1.00 0.00 N ATOM 116 CA LYS A 9 -14.729 0.544 -9.154 1.00 0.00 C ATOM 117 C LYS A 9 -13.229 0.397 -8.946 1.00 0.00 C ATOM 118 O LYS A 9 -12.621 -0.491 -9.541 1.00 0.00 O ATOM 119 CB LYS A 9 -15.105 1.522 -10.279 1.00 0.00 C ATOM 120 CG LYS A 9 -16.626 1.497 -10.512 1.00 0.00 C ATOM 121 CD LYS A 9 -16.988 0.522 -11.645 1.00 0.00 C ATOM 122 CE LYS A 9 -18.458 0.093 -11.634 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.405 1.226 -11.726 1.00 0.00 N ATOM 0 H LYS A 9 -15.949 0.113 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.077 -0.438 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.786 2.531 -10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.584 1.251 -11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.134 1.201 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.977 2.498 -10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.761 0.990 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.358 -0.364 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.636 -0.587 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.659 -0.464 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.380 0.865 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.262 1.865 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.240 1.746 -12.612 1.00 0.00 H new ATOM 137 N CYS A 10 -12.640 1.225 -8.086 1.00 0.00 N ATOM 138 CA CYS A 10 -11.234 1.201 -7.787 1.00 0.00 C ATOM 139 C CYS A 10 -10.909 0.107 -6.767 1.00 0.00 C ATOM 140 O CYS A 10 -10.692 -1.037 -7.153 1.00 0.00 O ATOM 141 CB CYS A 10 -10.750 2.621 -7.421 1.00 0.00 C ATOM 142 SG CYS A 10 -11.769 3.416 -6.139 1.00 0.00 S ATOM 0 H CYS A 10 -13.151 1.943 -7.572 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.660 0.920 -8.670 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.718 2.568 -7.075 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.755 3.242 -8.317 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.988 3.544 -6.571 1.00 0.00 H new ATOM 148 N THR A 11 -10.819 0.469 -5.487 1.00 0.00 N ATOM 149 CA THR A 11 -10.333 -0.331 -4.369 1.00 0.00 C ATOM 150 C THR A 11 -9.021 -1.071 -4.740 1.00 0.00 C ATOM 151 O THR A 11 -7.944 -0.467 -4.615 1.00 0.00 O ATOM 152 CB THR A 11 -11.532 -1.083 -3.721 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.392 -1.067 -2.319 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.847 -2.512 -4.175 1.00 0.00 C ATOM 0 H THR A 11 -11.106 1.400 -5.185 1.00 0.00 H new ATOM 0 HA THR A 11 -9.965 0.256 -3.528 1.00 0.00 H new ATOM 0 HB THR A 11 -12.389 -0.517 -4.086 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.147 -1.539 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.710 -2.887 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.069 -2.514 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.987 -3.153 -3.982 1.00 0.00 H new ATOM 162 N SER A 12 -9.052 -2.303 -5.257 1.00 0.00 N ATOM 163 CA SER A 12 -7.907 -3.048 -5.756 1.00 0.00 C ATOM 164 C SER A 12 -7.545 -2.655 -7.193 1.00 0.00 C ATOM 165 O SER A 12 -7.298 -3.520 -8.024 1.00 0.00 O ATOM 166 CB SER A 12 -8.111 -4.559 -5.534 1.00 0.00 C ATOM 167 OG SER A 12 -9.431 -4.996 -5.773 1.00 0.00 O ATOM 0 H SER A 12 -9.923 -2.828 -5.340 1.00 0.00 H new ATOM 0 HA SER A 12 -7.026 -2.775 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.433 -5.108 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.836 -4.807 -4.509 1.00 0.00 H new ATOM 0 HG SER A 12 -9.489 -5.962 -5.616 1.00 0.00 H new ATOM 173 N VAL A 13 -7.418 -1.357 -7.473 1.00 0.00 N ATOM 174 CA VAL A 13 -6.700 -0.869 -8.654 1.00 0.00 C ATOM 175 C VAL A 13 -5.551 0.014 -8.193 1.00 0.00 C ATOM 176 O VAL A 13 -4.413 -0.302 -8.505 1.00 0.00 O ATOM 177 CB VAL A 13 -7.622 -0.215 -9.703 1.00 0.00 C ATOM 178 CG1 VAL A 13 -8.730 -1.187 -10.128 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.257 1.090 -9.213 1.00 0.00 C ATOM 0 H VAL A 13 -7.808 -0.616 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.281 -1.717 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.987 0.027 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.370 -0.708 -10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.283 -2.082 -10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.325 -1.463 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.894 1.501 -9.996 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.856 0.892 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.473 1.807 -8.969 1.00 0.00 H new ATOM 189 N VAL A 14 -5.815 1.021 -7.351 1.00 0.00 N ATOM 190 CA VAL A 14 -4.848 2.049 -6.968 1.00 0.00 C ATOM 191 C VAL A 14 -3.506 1.443 -6.548 1.00 0.00 C ATOM 192 O VAL A 14 -2.484 1.603 -7.206 1.00 0.00 O ATOM 193 CB VAL A 14 -5.422 3.090 -5.993 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.358 4.080 -6.696 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.242 2.407 -4.915 1.00 0.00 C ATOM 0 H VAL A 14 -6.726 1.143 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.629 2.632 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.567 3.620 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.741 4.797 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.809 4.610 -7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.191 3.538 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.642 3.157 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.065 1.860 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.609 1.713 -4.362 1.00 0.00 H new ATOM 205 N LEU A 15 -3.505 0.642 -5.483 1.00 0.00 N ATOM 206 CA LEU A 15 -2.271 0.060 -4.972 1.00 0.00 C ATOM 207 C LEU A 15 -1.695 -0.995 -5.931 1.00 0.00 C ATOM 208 O LEU A 15 -0.484 -1.227 -5.957 1.00 0.00 O ATOM 209 CB LEU A 15 -2.559 -0.504 -3.576 1.00 0.00 C ATOM 210 CG LEU A 15 -1.302 -0.846 -2.776 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.374 0.362 -2.557 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.688 -1.367 -1.397 1.00 0.00 C ATOM 0 H LEU A 15 -4.343 0.384 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.499 0.826 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.148 0.222 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.170 -1.401 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.771 -1.595 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.499 0.051 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.053 0.754 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.910 1.138 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.787 -1.608 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.255 -0.603 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.299 -2.263 -1.505 1.00 0.00 H new ATOM 224 N LEU A 16 -2.571 -1.604 -6.734 1.00 0.00 N ATOM 225 CA LEU A 16 -2.266 -2.544 -7.808 1.00 0.00 C ATOM 226 C LEU A 16 -1.729 -1.855 -9.073 1.00 0.00 C ATOM 227 O LEU A 16 -1.366 -2.548 -10.016 1.00 0.00 O ATOM 228 CB LEU A 16 -3.511 -3.396 -8.145 1.00 0.00 C ATOM 229 CG LEU A 16 -3.456 -4.793 -7.514 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.557 -4.729 -5.986 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.584 -5.672 -8.044 1.00 0.00 C ATOM 0 H LEU A 16 -3.574 -1.442 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.469 -3.192 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.406 -2.879 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.599 -3.493 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.493 -5.224 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.514 -5.738 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.728 -4.141 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.500 -4.262 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.525 -6.658 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.544 -5.216 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.490 -5.772 -9.125 1.00 0.00 H new ATOM 243 N SER A 17 -1.651 -0.528 -9.100 1.00 0.00 N ATOM 244 CA SER A 17 -1.077 0.284 -10.160 1.00 0.00 C ATOM 245 C SER A 17 0.081 1.140 -9.617 1.00 0.00 C ATOM 246 O SER A 17 0.745 1.823 -10.390 1.00 0.00 O ATOM 247 CB SER A 17 -2.235 1.096 -10.767 1.00 0.00 C ATOM 248 OG SER A 17 -1.839 2.027 -11.756 1.00 0.00 O ATOM 0 H SER A 17 -2.010 0.041 -8.333 1.00 0.00 H new ATOM 0 HA SER A 17 -0.624 -0.318 -10.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.957 0.406 -11.203 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.747 1.630 -9.967 1.00 0.00 H new ATOM 0 HG SER A 17 -0.871 2.170 -11.702 1.00 0.00 H new ATOM 254 N VAL A 18 0.338 1.136 -8.299 1.00 0.00 N ATOM 255 CA VAL A 18 1.310 2.053 -7.697 1.00 0.00 C ATOM 256 C VAL A 18 2.454 1.350 -6.967 1.00 0.00 C ATOM 257 O VAL A 18 3.582 1.846 -6.994 1.00 0.00 O ATOM 258 CB VAL A 18 0.553 3.093 -6.846 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.532 4.080 -6.193 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.380 3.929 -7.743 1.00 0.00 C ATOM 0 H VAL A 18 -0.114 0.508 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 18 1.832 2.583 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.007 2.546 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.976 4.804 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.223 3.535 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.093 4.602 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.911 4.661 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.210 4.446 -8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.100 3.272 -8.231 1.00 0.00 H new ATOM 270 N LEU A 19 2.197 0.215 -6.313 1.00 0.00 N ATOM 271 CA LEU A 19 3.230 -0.500 -5.567 1.00 0.00 C ATOM 272 C LEU A 19 3.689 -1.662 -6.414 1.00 0.00 C ATOM 273 O LEU A 19 4.812 -1.668 -6.914 1.00 0.00 O ATOM 274 CB LEU A 19 2.701 -0.921 -4.182 1.00 0.00 C ATOM 275 CG LEU A 19 3.448 -0.286 -2.999 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.805 -0.960 -2.791 1.00 0.00 C ATOM 277 CD2 LEU A 19 3.604 1.233 -3.109 1.00 0.00 C ATOM 0 H LEU A 19 1.279 -0.228 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 19 4.091 0.139 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.646 -0.657 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.764 -2.006 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 19 2.823 -0.458 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.317 -0.495 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.657 -2.020 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.410 -0.846 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.141 1.608 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.163 1.477 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.619 1.697 -3.156 1.00 0.00 H new ATOM 289 N GLN A 20 2.789 -2.625 -6.596 1.00 0.00 N ATOM 290 CA GLN A 20 3.054 -3.827 -7.364 1.00 0.00 C ATOM 291 C GLN A 20 3.611 -3.556 -8.753 1.00 0.00 C ATOM 292 O GLN A 20 4.472 -4.302 -9.183 1.00 0.00 O ATOM 293 CB GLN A 20 1.811 -4.704 -7.367 1.00 0.00 C ATOM 294 CG GLN A 20 0.765 -4.379 -8.431 1.00 0.00 C ATOM 295 CD GLN A 20 1.037 -5.015 -9.791 1.00 0.00 C ATOM 296 OE1 GLN A 20 1.048 -4.327 -10.800 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.219 -6.323 -9.856 1.00 0.00 N ATOM 0 H GLN A 20 1.846 -2.587 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 20 3.859 -4.374 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.122 -5.741 -7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.338 -4.633 -6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.212 -4.709 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.711 -3.297 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.207 -6.883 -9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.372 -6.772 -10.759 1.00 0.00 H new ATOM 306 N GLN A 21 3.172 -2.459 -9.370 1.00 0.00 N ATOM 307 CA GLN A 21 3.548 -1.979 -10.700 1.00 0.00 C ATOM 308 C GLN A 21 5.016 -2.288 -11.024 1.00 0.00 C ATOM 309 O GLN A 21 5.314 -2.807 -12.094 1.00 0.00 O ATOM 310 CB GLN A 21 3.280 -0.455 -10.772 1.00 0.00 C ATOM 311 CG GLN A 21 2.539 0.014 -12.031 1.00 0.00 C ATOM 312 CD GLN A 21 3.250 -0.319 -13.329 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.002 -1.361 -13.917 1.00 0.00 O ATOM 314 NE2 GLN A 21 4.117 0.552 -13.816 1.00 0.00 N ATOM 0 H GLN A 21 2.497 -1.839 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 21 2.946 -2.499 -11.445 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.700 -0.161 -9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.234 0.070 -10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.548 -0.439 -12.046 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.396 1.093 -11.974 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.310 1.416 -13.310 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.592 0.360 -14.698 1.00 0.00 H new ATOM 323 N LEU A 22 5.922 -1.975 -10.087 1.00 0.00 N ATOM 324 CA LEU A 22 7.350 -2.253 -10.216 1.00 0.00 C ATOM 325 C LEU A 22 7.964 -2.847 -8.949 1.00 0.00 C ATOM 326 O LEU A 22 8.967 -3.549 -9.052 1.00 0.00 O ATOM 327 CB LEU A 22 8.123 -0.964 -10.580 1.00 0.00 C ATOM 328 CG LEU A 22 8.408 -0.670 -12.065 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.077 -1.846 -12.787 1.00 0.00 C ATOM 330 CD2 LEU A 22 7.189 -0.173 -12.844 1.00 0.00 C ATOM 0 H LEU A 22 5.676 -1.516 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 22 7.439 -2.993 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.566 -0.119 -10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.080 -0.993 -10.059 1.00 0.00 H new ATOM 0 HG LEU A 22 9.120 0.155 -12.044 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.253 -1.580 -13.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.028 -2.075 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.426 -2.719 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.470 0.012 -13.881 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.403 -0.928 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.824 0.752 -12.397 1.00 0.00 H new ATOM 342 N ARG A 23 7.485 -2.497 -7.750 1.00 0.00 N ATOM 343 CA ARG A 23 8.208 -2.810 -6.514 1.00 0.00 C ATOM 344 C ARG A 23 7.926 -4.249 -6.089 1.00 0.00 C ATOM 345 O ARG A 23 8.844 -5.043 -5.907 1.00 0.00 O ATOM 346 CB ARG A 23 7.837 -1.796 -5.421 1.00 0.00 C ATOM 347 CG ARG A 23 8.270 -0.356 -5.763 1.00 0.00 C ATOM 348 CD ARG A 23 7.451 0.634 -4.929 1.00 0.00 C ATOM 349 NE ARG A 23 8.030 1.984 -4.835 1.00 0.00 N ATOM 350 CZ ARG A 23 7.863 3.017 -5.663 1.00 0.00 C ATOM 351 NH1 ARG A 23 7.424 2.817 -6.903 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.140 4.246 -5.231 1.00 0.00 N ATOM 0 H ARG A 23 6.605 -2.000 -7.610 1.00 0.00 H new ATOM 0 HA ARG A 23 9.281 -2.729 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.759 -1.818 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.302 -2.096 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.333 -0.227 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.122 -0.163 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.452 0.711 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.335 0.232 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 23 8.638 2.152 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.214 1.872 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.297 3.609 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.475 4.388 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.017 5.045 -5.853 1.00 0.00 H new ATOM 366 N VAL A 24 6.645 -4.588 -5.940 1.00 0.00 N ATOM 367 CA VAL A 24 6.154 -5.921 -5.584 1.00 0.00 C ATOM 368 C VAL A 24 5.525 -6.524 -6.841 1.00 0.00 C ATOM 369 O VAL A 24 4.342 -6.862 -6.884 1.00 0.00 O ATOM 370 CB VAL A 24 5.267 -5.868 -4.311 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.147 -4.832 -4.323 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.663 -7.221 -3.902 1.00 0.00 C ATOM 0 H VAL A 24 5.890 -3.914 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 24 6.952 -6.599 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 24 6.002 -5.557 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.593 -4.884 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.574 -3.836 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.472 -5.035 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.058 -7.093 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.037 -7.599 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.465 -7.932 -3.701 1.00 0.00 H new ATOM 382 N GLU A 25 6.318 -6.582 -7.906 1.00 0.00 N ATOM 383 CA GLU A 25 5.868 -7.016 -9.226 1.00 0.00 C ATOM 384 C GLU A 25 5.753 -8.544 -9.328 1.00 0.00 C ATOM 385 O GLU A 25 6.478 -9.200 -10.085 1.00 0.00 O ATOM 386 CB GLU A 25 6.678 -6.375 -10.355 1.00 0.00 C ATOM 387 CG GLU A 25 5.824 -6.393 -11.635 1.00 0.00 C ATOM 388 CD GLU A 25 6.582 -6.262 -12.957 1.00 0.00 C ATOM 389 OE1 GLU A 25 7.799 -5.971 -12.972 1.00 0.00 O ATOM 390 OE2 GLU A 25 5.949 -6.545 -14.006 1.00 0.00 O ATOM 0 H GLU A 25 7.305 -6.326 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 25 4.852 -6.644 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.949 -5.352 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.608 -6.921 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.258 -7.324 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.099 -5.581 -11.574 1.00 0.00 H new ATOM 397 N SER A 26 4.797 -9.095 -8.583 1.00 0.00 N ATOM 398 CA SER A 26 4.360 -10.475 -8.647 1.00 0.00 C ATOM 399 C SER A 26 2.857 -10.552 -8.398 1.00 0.00 C ATOM 400 O SER A 26 2.260 -9.683 -7.759 1.00 0.00 O ATOM 401 CB SER A 26 5.135 -11.314 -7.629 1.00 0.00 C ATOM 402 OG SER A 26 6.347 -11.769 -8.188 1.00 0.00 O ATOM 0 H SER A 26 4.284 -8.557 -7.884 1.00 0.00 H new ATOM 0 HA SER A 26 4.562 -10.877 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.338 -10.720 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.531 -12.165 -7.314 1.00 0.00 H new ATOM 0 HG SER A 26 6.648 -11.138 -8.874 1.00 0.00 H new ATOM 408 N SER A 27 2.272 -11.638 -8.886 1.00 0.00 N ATOM 409 CA SER A 27 0.861 -11.991 -8.894 1.00 0.00 C ATOM 410 C SER A 27 0.395 -12.699 -7.611 1.00 0.00 C ATOM 411 O SER A 27 -0.703 -13.259 -7.592 1.00 0.00 O ATOM 412 CB SER A 27 0.668 -12.893 -10.126 1.00 0.00 C ATOM 413 OG SER A 27 1.738 -13.825 -10.258 1.00 0.00 O ATOM 0 H SER A 27 2.832 -12.366 -9.330 1.00 0.00 H new ATOM 0 HA SER A 27 0.252 -11.088 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.277 -13.430 -10.042 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.606 -12.278 -11.024 1.00 0.00 H new ATOM 0 HG SER A 27 1.588 -14.386 -11.048 1.00 0.00 H new ATOM 419 N SER A 28 1.235 -12.762 -6.576 1.00 0.00 N ATOM 420 CA SER A 28 1.123 -13.717 -5.484 1.00 0.00 C ATOM 421 C SER A 28 -0.057 -13.413 -4.546 1.00 0.00 C ATOM 422 O SER A 28 -0.808 -12.448 -4.725 1.00 0.00 O ATOM 423 CB SER A 28 2.475 -13.765 -4.753 1.00 0.00 C ATOM 424 OG SER A 28 3.550 -13.818 -5.683 1.00 0.00 O ATOM 0 H SER A 28 2.031 -12.132 -6.476 1.00 0.00 H new ATOM 0 HA SER A 28 0.896 -14.705 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.581 -12.886 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.510 -14.637 -4.100 1.00 0.00 H new ATOM 0 HG SER A 28 4.401 -13.846 -5.198 1.00 0.00 H new ATOM 430 N LYS A 29 -0.261 -14.260 -3.535 1.00 0.00 N ATOM 431 CA LYS A 29 -1.365 -14.123 -2.585 1.00 0.00 C ATOM 432 C LYS A 29 -0.891 -13.530 -1.255 1.00 0.00 C ATOM 433 O LYS A 29 -1.671 -12.841 -0.610 1.00 0.00 O ATOM 434 CB LYS A 29 -2.051 -15.484 -2.399 1.00 0.00 C ATOM 435 CG LYS A 29 -3.281 -15.727 -3.297 1.00 0.00 C ATOM 436 CD LYS A 29 -3.002 -15.813 -4.806 1.00 0.00 C ATOM 437 CE LYS A 29 -4.263 -16.336 -5.522 1.00 0.00 C ATOM 438 NZ LYS A 29 -4.120 -16.374 -6.996 1.00 0.00 N ATOM 0 H LYS A 29 0.339 -15.064 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.096 -13.421 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.321 -16.270 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.357 -15.579 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.760 -16.654 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.997 -14.924 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.728 -14.832 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.159 -16.477 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.490 -17.338 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.111 -15.702 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.998 -16.734 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.931 -15.415 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.330 -17.000 -7.252 1.00 0.00 H new ATOM 452 N LEU A 30 0.378 -13.704 -0.869 1.00 0.00 N ATOM 453 CA LEU A 30 0.956 -13.132 0.348 1.00 0.00 C ATOM 454 C LEU A 30 0.817 -11.610 0.333 1.00 0.00 C ATOM 455 O LEU A 30 0.363 -11.006 1.300 1.00 0.00 O ATOM 456 CB LEU A 30 2.429 -13.574 0.456 1.00 0.00 C ATOM 457 CG LEU A 30 3.251 -12.831 1.529 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.678 -12.999 2.944 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.690 -13.352 1.489 1.00 0.00 C ATOM 0 H LEU A 30 1.044 -14.258 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 30 0.421 -13.494 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.458 -14.642 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.908 -13.431 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 30 3.212 -11.766 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.299 -12.454 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.662 -12.606 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.666 -14.056 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.285 -12.836 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.695 -14.423 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.116 -13.169 0.503 1.00 0.00 H new ATOM 471 N TRP A 31 1.205 -10.970 -0.769 1.00 0.00 N ATOM 472 CA TRP A 31 1.067 -9.528 -0.887 1.00 0.00 C ATOM 473 C TRP A 31 -0.412 -9.117 -0.959 1.00 0.00 C ATOM 474 O TRP A 31 -0.809 -8.111 -0.365 1.00 0.00 O ATOM 475 CB TRP A 31 1.876 -9.051 -2.092 1.00 0.00 C ATOM 476 CG TRP A 31 1.260 -8.011 -2.959 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.298 -6.685 -2.734 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.515 -8.190 -4.194 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.707 -6.026 -3.787 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.161 -6.905 -4.691 1.00 0.00 C ATOM 481 CE3 TRP A 31 0.112 -9.308 -4.946 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.553 -6.735 -5.880 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.575 -9.154 -6.162 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.888 -7.869 -6.632 1.00 0.00 C ATOM 0 H TRP A 31 1.614 -11.427 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 31 1.466 -9.041 0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.828 -8.666 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.100 -9.919 -2.713 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.726 -6.212 -1.863 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.678 -5.011 -3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.334 -10.301 -4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.841 -5.749 -6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.862 -10.024 -6.735 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.391 -7.753 -7.581 1.00 0.00 H new ATOM 495 N ALA A 32 -1.237 -9.899 -1.664 1.00 0.00 N ATOM 496 CA ALA A 32 -2.676 -9.686 -1.795 1.00 0.00 C ATOM 497 C ALA A 32 -3.345 -9.647 -0.412 1.00 0.00 C ATOM 498 O ALA A 32 -4.172 -8.773 -0.147 1.00 0.00 O ATOM 499 CB ALA A 32 -3.312 -10.758 -2.685 1.00 0.00 C ATOM 0 H ALA A 32 -0.909 -10.720 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.834 -8.721 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.384 -10.575 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.862 -10.721 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.144 -11.742 -2.247 1.00 0.00 H new ATOM 505 N GLN A 33 -2.912 -10.526 0.498 1.00 0.00 N ATOM 506 CA GLN A 33 -3.300 -10.585 1.905 1.00 0.00 C ATOM 507 C GLN A 33 -3.004 -9.287 2.672 1.00 0.00 C ATOM 508 O GLN A 33 -3.561 -9.108 3.752 1.00 0.00 O ATOM 509 CB GLN A 33 -2.604 -11.791 2.574 1.00 0.00 C ATOM 510 CG GLN A 33 -3.473 -13.060 2.600 1.00 0.00 C ATOM 511 CD GLN A 33 -4.136 -13.342 3.950 1.00 0.00 C ATOM 512 OE1 GLN A 33 -4.354 -14.498 4.307 1.00 0.00 O ATOM 513 NE2 GLN A 33 -4.528 -12.343 4.719 1.00 0.00 N ATOM 0 H GLN A 33 -2.243 -11.256 0.255 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.382 -10.709 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.676 -12.006 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.333 -11.524 3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.248 -12.971 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.855 -13.915 2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.352 -11.380 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.006 -12.534 5.599 1.00 0.00 H new ATOM 522 N CYS A 34 -2.208 -8.358 2.138 1.00 0.00 N ATOM 523 CA CYS A 34 -2.039 -7.008 2.668 1.00 0.00 C ATOM 524 C CYS A 34 -2.769 -5.978 1.827 1.00 0.00 C ATOM 525 O CYS A 34 -3.225 -4.952 2.340 1.00 0.00 O ATOM 526 CB CYS A 34 -0.544 -6.716 2.747 1.00 0.00 C ATOM 527 SG CYS A 34 -0.194 -5.574 4.098 1.00 0.00 S ATOM 0 H CYS A 34 -1.649 -8.531 1.302 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.479 -6.946 3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.007 -7.645 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.200 -6.290 1.804 1.00 0.00 H new ATOM 0 HG CYS A 34 1.084 -5.341 4.149 1.00 0.00 H new ATOM 533 N VAL A 35 -2.948 -6.260 0.541 1.00 0.00 N ATOM 534 CA VAL A 35 -3.707 -5.391 -0.319 1.00 0.00 C ATOM 535 C VAL A 35 -5.158 -5.295 0.176 1.00 0.00 C ATOM 536 O VAL A 35 -5.729 -4.210 0.118 1.00 0.00 O ATOM 537 CB VAL A 35 -3.525 -5.843 -1.790 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.817 -6.105 -2.574 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.655 -4.843 -2.554 1.00 0.00 C ATOM 0 H VAL A 35 -2.572 -7.089 0.080 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.338 -4.366 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.035 -6.814 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.570 -6.415 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.387 -6.893 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.413 -5.193 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.538 -5.176 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.131 -3.863 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.675 -4.777 -2.080 1.00 0.00 H new ATOM 549 N GLN A 36 -5.723 -6.363 0.730 1.00 0.00 N ATOM 550 CA GLN A 36 -7.066 -6.361 1.320 1.00 0.00 C ATOM 551 C GLN A 36 -7.235 -5.241 2.356 1.00 0.00 C ATOM 552 O GLN A 36 -8.262 -4.565 2.379 1.00 0.00 O ATOM 553 CB GLN A 36 -7.421 -7.726 1.937 1.00 0.00 C ATOM 554 CG GLN A 36 -6.295 -8.345 2.770 1.00 0.00 C ATOM 555 CD GLN A 36 -6.778 -9.414 3.743 1.00 0.00 C ATOM 556 OE1 GLN A 36 -6.774 -10.602 3.444 1.00 0.00 O ATOM 557 NE2 GLN A 36 -7.201 -9.023 4.937 1.00 0.00 N ATOM 0 H GLN A 36 -5.258 -7.269 0.785 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.763 -6.169 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.303 -7.610 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.689 -8.416 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.555 -8.782 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.791 -7.556 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.201 -8.032 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.526 -9.713 5.614 1.00 0.00 H new ATOM 566 N LEU A 37 -6.241 -5.008 3.219 1.00 0.00 N ATOM 567 CA LEU A 37 -6.300 -3.918 4.180 1.00 0.00 C ATOM 568 C LEU A 37 -6.214 -2.580 3.469 1.00 0.00 C ATOM 569 O LEU A 37 -6.983 -1.685 3.811 1.00 0.00 O ATOM 570 CB LEU A 37 -5.209 -4.044 5.260 1.00 0.00 C ATOM 571 CG LEU A 37 -5.790 -4.181 6.681 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.592 -2.945 7.115 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.654 -5.449 6.799 1.00 0.00 C ATOM 0 H LEU A 37 -5.387 -5.564 3.266 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.261 -3.978 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.586 -4.911 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.561 -3.168 5.220 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.940 -4.265 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.977 -3.097 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.944 -2.068 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.424 -2.791 6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.053 -5.524 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.478 -5.396 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.044 -6.326 6.583 1.00 0.00 H new ATOM 585 N HIS A 38 -5.353 -2.429 2.451 1.00 0.00 N ATOM 586 CA HIS A 38 -5.306 -1.173 1.713 1.00 0.00 C ATOM 587 C HIS A 38 -6.675 -0.744 1.185 1.00 0.00 C ATOM 588 O HIS A 38 -6.906 0.458 1.117 1.00 0.00 O ATOM 589 CB HIS A 38 -4.251 -1.177 0.606 1.00 0.00 C ATOM 590 CG HIS A 38 -4.809 -1.140 -0.811 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.133 -2.251 -1.552 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.273 -0.050 -1.500 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.780 -1.857 -2.652 1.00 0.00 C ATOM 594 NE2 HIS A 38 -5.903 -0.522 -2.639 1.00 0.00 N ATOM 0 H HIS A 38 -4.699 -3.144 2.132 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.999 -0.420 2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.596 -0.317 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.634 -2.069 0.715 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -4.916 -3.216 -1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.167 0.985 -1.209 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.146 -2.511 -3.430 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.376 0.045 -3.343 1.00 0.00 H new ATOM 603 N ASN A 39 -7.540 -1.687 0.790 1.00 0.00 N ATOM 604 CA ASN A 39 -8.867 -1.383 0.253 1.00 0.00 C ATOM 605 C ASN A 39 -9.669 -0.596 1.282 1.00 0.00 C ATOM 606 O ASN A 39 -10.289 0.418 0.975 1.00 0.00 O ATOM 607 CB ASN A 39 -9.638 -2.668 -0.114 1.00 0.00 C ATOM 608 CG ASN A 39 -9.187 -3.347 -1.403 1.00 0.00 C ATOM 609 OD1 ASN A 39 -8.451 -2.780 -2.208 1.00 0.00 O ATOM 610 ND2 ASN A 39 -9.597 -4.584 -1.620 1.00 0.00 N ATOM 0 H ASN A 39 -7.336 -2.685 0.835 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.733 -0.793 -0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.540 -3.379 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.697 -2.425 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.303 -5.078 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.208 -5.045 -0.945 1.00 0.00 H new ATOM 617 N ASP A 40 -9.610 -1.043 2.530 1.00 0.00 N ATOM 618 CA ASP A 40 -10.272 -0.434 3.657 1.00 0.00 C ATOM 619 C ASP A 40 -9.596 0.899 3.992 1.00 0.00 C ATOM 620 O ASP A 40 -10.230 1.901 4.316 1.00 0.00 O ATOM 621 CB ASP A 40 -10.194 -1.422 4.840 1.00 0.00 C ATOM 622 CG ASP A 40 -11.533 -2.079 5.180 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.418 -2.193 4.301 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.673 -2.501 6.352 1.00 0.00 O ATOM 0 H ASP A 40 -9.076 -1.874 2.786 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.318 -0.223 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.467 -2.199 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.824 -0.894 5.719 1.00 0.00 H new ATOM 629 N ILE A 41 -8.278 0.958 3.911 1.00 0.00 N ATOM 630 CA ILE A 41 -7.513 2.135 4.245 1.00 0.00 C ATOM 631 C ILE A 41 -7.866 3.327 3.340 1.00 0.00 C ATOM 632 O ILE A 41 -7.621 4.446 3.775 1.00 0.00 O ATOM 633 CB ILE A 41 -6.028 1.730 4.274 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.808 0.786 5.487 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.103 2.931 4.439 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.440 0.110 5.527 1.00 0.00 C ATOM 0 H ILE A 41 -7.704 0.172 3.605 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.766 2.511 5.236 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.792 1.248 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.943 1.358 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.579 0.016 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.067 2.593 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.248 3.619 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.332 3.440 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.376 -0.530 6.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.306 -0.493 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.660 0.870 5.573 1.00 0.00 H new ATOM 648 N LEU A 42 -8.528 3.169 2.178 1.00 0.00 N ATOM 649 CA LEU A 42 -8.967 4.328 1.394 1.00 0.00 C ATOM 650 C LEU A 42 -9.871 5.275 2.162 1.00 0.00 C ATOM 651 O LEU A 42 -9.872 6.467 1.862 1.00 0.00 O ATOM 652 CB LEU A 42 -9.664 3.959 0.072 1.00 0.00 C ATOM 653 CG LEU A 42 -8.770 3.538 -1.109 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.327 4.024 -1.007 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.760 2.022 -1.246 1.00 0.00 C ATOM 0 H LEU A 42 -8.765 2.264 1.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.030 4.836 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.360 3.145 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.259 4.815 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.208 4.014 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.766 3.684 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.312 5.113 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.871 3.622 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.125 1.737 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.373 1.576 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.775 1.666 -1.422 1.00 0.00 H new ATOM 667 N LEU A 43 -10.589 4.787 3.165 1.00 0.00 N ATOM 668 CA LEU A 43 -11.390 5.644 4.038 1.00 0.00 C ATOM 669 C LEU A 43 -10.872 5.567 5.464 1.00 0.00 C ATOM 670 O LEU A 43 -11.627 5.354 6.414 1.00 0.00 O ATOM 671 CB LEU A 43 -12.893 5.373 3.805 1.00 0.00 C ATOM 672 CG LEU A 43 -13.641 6.598 3.253 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.951 7.205 2.025 1.00 0.00 C ATOM 674 CD2 LEU A 43 -15.059 6.168 2.877 1.00 0.00 C ATOM 0 H LEU A 43 -10.635 3.795 3.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.281 6.700 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.004 4.541 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.352 5.066 4.745 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.651 7.366 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.521 8.066 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.943 7.521 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.898 6.459 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.606 7.024 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.013 5.386 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.570 5.786 3.761 1.00 0.00 H new ATOM 686 N ALA A 44 -9.548 5.670 5.608 1.00 0.00 N ATOM 687 CA ALA A 44 -8.934 5.586 6.934 1.00 0.00 C ATOM 688 C ALA A 44 -9.258 6.852 7.722 1.00 0.00 C ATOM 689 O ALA A 44 -9.808 6.773 8.820 1.00 0.00 O ATOM 690 CB ALA A 44 -7.434 5.318 6.845 1.00 0.00 C ATOM 0 H ALA A 44 -8.892 5.809 4.839 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.354 4.735 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.014 5.262 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.263 4.374 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.952 6.126 6.294 1.00 0.00 H new ATOM 696 N LYS A 45 -9.005 8.023 7.135 1.00 0.00 N ATOM 697 CA LYS A 45 -9.399 9.310 7.693 1.00 0.00 C ATOM 698 C LYS A 45 -9.836 10.200 6.552 1.00 0.00 C ATOM 699 O LYS A 45 -11.026 10.449 6.388 1.00 0.00 O ATOM 700 CB LYS A 45 -8.258 9.871 8.564 1.00 0.00 C ATOM 701 CG LYS A 45 -8.657 11.097 9.408 1.00 0.00 C ATOM 702 CD LYS A 45 -8.761 12.413 8.618 1.00 0.00 C ATOM 703 CE LYS A 45 -9.056 13.643 9.485 1.00 0.00 C ATOM 704 NZ LYS A 45 -10.382 13.569 10.138 1.00 0.00 N ATOM 0 H LYS A 45 -8.513 8.101 6.245 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.250 9.228 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.903 9.085 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.423 10.143 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.617 10.897 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.926 11.225 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.827 12.576 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.546 12.313 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.283 13.740 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.008 14.540 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.534 14.423 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.123 13.503 9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.421 12.729 10.750 1.00 0.00 H new ATOM 718 N ASP A 46 -8.872 10.634 5.761 1.00 0.00 N ATOM 719 CA ASP A 46 -8.998 11.570 4.655 1.00 0.00 C ATOM 720 C ASP A 46 -8.210 10.971 3.504 1.00 0.00 C ATOM 721 O ASP A 46 -7.272 10.221 3.754 1.00 0.00 O ATOM 722 CB ASP A 46 -8.386 12.931 5.033 1.00 0.00 C ATOM 723 CG ASP A 46 -9.395 13.999 5.453 1.00 0.00 C ATOM 724 OD1 ASP A 46 -10.551 14.027 4.960 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.998 14.899 6.222 1.00 0.00 O ATOM 0 H ASP A 46 -7.909 10.319 5.882 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.045 11.731 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.679 12.780 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.817 13.305 4.182 1.00 0.00 H new ATOM 730 N THR A 47 -8.539 11.341 2.272 1.00 0.00 N ATOM 731 CA THR A 47 -8.029 10.806 1.014 1.00 0.00 C ATOM 732 C THR A 47 -6.492 10.780 0.951 1.00 0.00 C ATOM 733 O THR A 47 -5.928 9.885 0.320 1.00 0.00 O ATOM 734 CB THR A 47 -8.642 11.675 -0.101 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.042 11.804 0.100 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.422 11.141 -1.516 1.00 0.00 C ATOM 0 H THR A 47 -9.223 12.081 2.114 1.00 0.00 H new ATOM 0 HA THR A 47 -8.317 9.761 0.902 1.00 0.00 H new ATOM 0 HB THR A 47 -8.125 12.632 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.425 12.359 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.887 11.815 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.353 11.076 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.869 10.151 -1.605 1.00 0.00 H new ATOM 744 N THR A 48 -5.838 11.735 1.615 1.00 0.00 N ATOM 745 CA THR A 48 -4.406 11.804 1.850 1.00 0.00 C ATOM 746 C THR A 48 -3.994 10.679 2.814 1.00 0.00 C ATOM 747 O THR A 48 -3.562 9.629 2.343 1.00 0.00 O ATOM 748 CB THR A 48 -4.112 13.243 2.321 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.478 14.124 1.274 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.668 13.543 2.706 1.00 0.00 C ATOM 0 H THR A 48 -6.331 12.528 2.026 1.00 0.00 H new ATOM 0 HA THR A 48 -3.799 11.627 0.962 1.00 0.00 H new ATOM 0 HB THR A 48 -4.688 13.375 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.303 15.048 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.584 14.583 3.020 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.367 12.891 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.019 13.369 1.848 1.00 0.00 H new ATOM 758 N GLU A 49 -4.190 10.848 4.130 1.00 0.00 N ATOM 759 CA GLU A 49 -3.701 9.948 5.189 1.00 0.00 C ATOM 760 C GLU A 49 -4.128 8.493 4.972 1.00 0.00 C ATOM 761 O GLU A 49 -3.454 7.563 5.412 1.00 0.00 O ATOM 762 CB GLU A 49 -4.227 10.447 6.556 1.00 0.00 C ATOM 763 CG GLU A 49 -3.118 10.904 7.516 1.00 0.00 C ATOM 764 CD GLU A 49 -2.654 9.827 8.506 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.461 9.477 9.403 1.00 0.00 O ATOM 766 OE2 GLU A 49 -1.484 9.401 8.478 1.00 0.00 O ATOM 0 H GLU A 49 -4.711 11.642 4.501 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.611 9.967 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.915 11.276 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.798 9.648 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.261 11.235 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.473 11.768 8.078 1.00 0.00 H new ATOM 773 N ALA A 50 -5.265 8.299 4.306 1.00 0.00 N ATOM 774 CA ALA A 50 -5.764 7.047 3.791 1.00 0.00 C ATOM 775 C ALA A 50 -4.750 6.410 2.853 1.00 0.00 C ATOM 776 O ALA A 50 -3.984 5.540 3.260 1.00 0.00 O ATOM 777 CB ALA A 50 -7.104 7.321 3.095 1.00 0.00 C ATOM 0 H ALA A 50 -5.898 9.073 4.104 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.922 6.335 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.504 6.389 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.808 7.740 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.953 8.029 2.280 1.00 0.00 H new ATOM 783 N PHE A 51 -4.773 6.821 1.589 1.00 0.00 N ATOM 784 CA PHE A 51 -3.951 6.233 0.541 1.00 0.00 C ATOM 785 C PHE A 51 -2.476 6.201 0.947 1.00 0.00 C ATOM 786 O PHE A 51 -1.785 5.225 0.657 1.00 0.00 O ATOM 787 CB PHE A 51 -4.182 6.940 -0.803 1.00 0.00 C ATOM 788 CG PHE A 51 -2.937 7.540 -1.433 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.995 6.698 -2.056 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.650 8.908 -1.273 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.749 7.204 -2.459 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.410 9.415 -1.696 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.448 8.556 -2.255 1.00 0.00 C ATOM 0 H PHE A 51 -5.370 7.580 1.262 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.257 5.196 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.617 6.226 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.916 7.733 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.233 5.658 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.381 9.566 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.025 6.552 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.195 10.468 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.524 8.939 -2.527 1.00 0.00 H new ATOM 803 N GLU A 52 -2.010 7.227 1.653 1.00 0.00 N ATOM 804 CA GLU A 52 -0.682 7.275 2.227 1.00 0.00 C ATOM 805 C GLU A 52 -0.438 6.024 3.071 1.00 0.00 C ATOM 806 O GLU A 52 0.395 5.185 2.712 1.00 0.00 O ATOM 807 CB GLU A 52 -0.543 8.585 3.012 1.00 0.00 C ATOM 808 CG GLU A 52 -0.353 9.737 2.007 1.00 0.00 C ATOM 809 CD GLU A 52 -0.087 11.100 2.643 1.00 0.00 C ATOM 810 OE1 GLU A 52 -0.632 11.399 3.715 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.635 11.911 2.005 1.00 0.00 O ATOM 0 H GLU A 52 -2.562 8.063 1.842 1.00 0.00 H new ATOM 0 HA GLU A 52 0.089 7.272 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.429 8.757 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.307 8.531 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.478 9.491 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.245 9.809 1.385 1.00 0.00 H new ATOM 818 N LYS A 53 -1.222 5.797 4.126 1.00 0.00 N ATOM 819 CA LYS A 53 -0.980 4.620 4.948 1.00 0.00 C ATOM 820 C LYS A 53 -1.167 3.342 4.131 1.00 0.00 C ATOM 821 O LYS A 53 -0.463 2.376 4.407 1.00 0.00 O ATOM 822 CB LYS A 53 -1.827 4.655 6.224 1.00 0.00 C ATOM 823 CG LYS A 53 -1.141 3.845 7.336 1.00 0.00 C ATOM 824 CD LYS A 53 -1.957 3.855 8.634 1.00 0.00 C ATOM 825 CE LYS A 53 -1.093 4.098 9.876 1.00 0.00 C ATOM 826 NZ LYS A 53 -0.641 5.500 9.995 1.00 0.00 N ATOM 0 H LYS A 53 -1.999 6.388 4.420 1.00 0.00 H new ATOM 0 HA LYS A 53 0.059 4.626 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.967 5.686 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.817 4.246 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.001 2.817 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.150 4.256 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.721 4.630 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.476 2.902 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.661 3.827 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.223 3.442 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.061 5.606 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.075 5.754 9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.468 6.127 10.057 1.00 0.00 H new ATOM 840 N MET A 54 -2.024 3.330 3.100 1.00 0.00 N ATOM 841 CA MET A 54 -2.338 2.161 2.276 1.00 0.00 C ATOM 842 C MET A 54 -1.061 1.701 1.551 1.00 0.00 C ATOM 843 O MET A 54 -0.948 0.532 1.189 1.00 0.00 O ATOM 844 CB MET A 54 -3.468 2.464 1.264 1.00 0.00 C ATOM 845 CG MET A 54 -3.025 2.566 -0.207 1.00 0.00 C ATOM 846 SD MET A 54 -4.201 3.285 -1.365 1.00 0.00 S ATOM 847 CE MET A 54 -3.268 3.203 -2.898 1.00 0.00 C ATOM 0 H MET A 54 -2.534 4.164 2.809 1.00 0.00 H new ATOM 0 HA MET A 54 -2.699 1.361 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.225 1.683 1.345 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.946 3.402 1.548 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.109 3.155 -0.245 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.775 1.564 -0.556 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.362 4.148 -3.432 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.218 3.015 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.657 2.396 -3.518 1.00 0.00 H new ATOM 857 N VAL A 55 -0.140 2.625 1.269 1.00 0.00 N ATOM 858 CA VAL A 55 1.161 2.369 0.684 1.00 0.00 C ATOM 859 C VAL A 55 2.088 1.802 1.758 1.00 0.00 C ATOM 860 O VAL A 55 2.769 0.816 1.468 1.00 0.00 O ATOM 861 CB VAL A 55 1.664 3.679 0.032 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.180 3.737 -0.144 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.960 3.922 -1.305 1.00 0.00 C ATOM 0 H VAL A 55 -0.297 3.616 1.454 1.00 0.00 H new ATOM 0 HA VAL A 55 1.122 1.618 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 55 1.409 4.477 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.457 4.684 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.663 3.654 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.504 2.914 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.328 4.848 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.165 3.091 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.115 4.000 -1.141 1.00 0.00 H new ATOM 873 N SER A 56 2.101 2.378 2.967 1.00 0.00 N ATOM 874 CA SER A 56 3.109 2.086 3.978 1.00 0.00 C ATOM 875 C SER A 56 3.231 0.587 4.268 1.00 0.00 C ATOM 876 O SER A 56 4.319 0.025 4.126 1.00 0.00 O ATOM 877 CB SER A 56 2.882 2.949 5.229 1.00 0.00 C ATOM 878 OG SER A 56 1.740 2.528 5.955 1.00 0.00 O ATOM 0 H SER A 56 1.406 3.062 3.267 1.00 0.00 H new ATOM 0 HA SER A 56 4.085 2.364 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.761 2.897 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.763 3.992 4.935 1.00 0.00 H new ATOM 0 HG SER A 56 0.999 2.366 5.334 1.00 0.00 H new ATOM 884 N LEU A 57 2.102 -0.081 4.536 1.00 0.00 N ATOM 885 CA LEU A 57 2.007 -1.530 4.702 1.00 0.00 C ATOM 886 C LEU A 57 2.790 -2.267 3.631 1.00 0.00 C ATOM 887 O LEU A 57 3.538 -3.191 3.940 1.00 0.00 O ATOM 888 CB LEU A 57 0.556 -2.057 4.641 1.00 0.00 C ATOM 889 CG LEU A 57 -0.482 -1.199 3.900 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.479 -2.042 3.088 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.308 -0.422 4.918 1.00 0.00 C ATOM 0 H LEU A 57 1.204 0.390 4.646 1.00 0.00 H new ATOM 0 HA LEU A 57 2.420 -1.720 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.575 -3.041 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.207 -2.198 5.664 1.00 0.00 H new ATOM 0 HG LEU A 57 0.077 -0.551 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.188 -1.384 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.939 -2.628 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.018 -2.713 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.046 0.189 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.818 -1.120 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.652 0.222 5.503 1.00 0.00 H new ATOM 903 N LEU A 58 2.558 -1.930 2.361 1.00 0.00 N ATOM 904 CA LEU A 58 3.117 -2.719 1.279 1.00 0.00 C ATOM 905 C LEU A 58 4.619 -2.543 1.146 1.00 0.00 C ATOM 906 O LEU A 58 5.258 -3.443 0.611 1.00 0.00 O ATOM 907 CB LEU A 58 2.392 -2.466 -0.050 1.00 0.00 C ATOM 908 CG LEU A 58 1.679 -3.732 -0.530 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.515 -4.191 0.360 1.00 0.00 C ATOM 910 CD2 LEU A 58 1.164 -3.474 -1.944 1.00 0.00 C ATOM 0 H LEU A 58 1.997 -1.131 2.067 1.00 0.00 H new ATOM 0 HA LEU A 58 2.950 -3.763 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.668 -1.660 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.108 -2.139 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 58 2.409 -4.541 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.071 -5.094 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.885 -4.400 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.239 -3.405 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.650 -4.362 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.471 -2.633 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.003 -3.242 -2.600 1.00 0.00 H new ATOM 922 N SER A 59 5.191 -1.449 1.647 1.00 0.00 N ATOM 923 CA SER A 59 6.635 -1.303 1.667 1.00 0.00 C ATOM 924 C SER A 59 7.272 -2.357 2.566 1.00 0.00 C ATOM 925 O SER A 59 8.142 -3.117 2.140 1.00 0.00 O ATOM 926 CB SER A 59 7.041 0.135 2.006 1.00 0.00 C ATOM 927 OG SER A 59 6.774 0.511 3.341 1.00 0.00 O ATOM 0 H SER A 59 4.677 -0.660 2.040 1.00 0.00 H new ATOM 0 HA SER A 59 7.027 -1.487 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.107 0.255 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.517 0.817 1.336 1.00 0.00 H new ATOM 0 HG SER A 59 5.813 0.668 3.451 1.00 0.00 H new ATOM 933 N VAL A 60 6.789 -2.453 3.799 1.00 0.00 N ATOM 934 CA VAL A 60 7.364 -3.342 4.797 1.00 0.00 C ATOM 935 C VAL A 60 7.032 -4.796 4.438 1.00 0.00 C ATOM 936 O VAL A 60 7.914 -5.653 4.487 1.00 0.00 O ATOM 937 CB VAL A 60 6.972 -2.874 6.219 1.00 0.00 C ATOM 938 CG1 VAL A 60 5.458 -2.788 6.471 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.636 -3.742 7.291 1.00 0.00 C ATOM 0 H VAL A 60 5.988 -1.917 4.133 1.00 0.00 H new ATOM 0 HA VAL A 60 8.453 -3.299 4.798 1.00 0.00 H new ATOM 0 HB VAL A 60 7.346 -1.852 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.278 -2.452 7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.012 -2.080 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.009 -3.771 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.341 -3.389 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.320 -4.778 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.720 -3.678 7.191 1.00 0.00 H new ATOM 949 N LEU A 61 5.807 -5.071 3.976 1.00 0.00 N ATOM 950 CA LEU A 61 5.363 -6.378 3.501 1.00 0.00 C ATOM 951 C LEU A 61 6.190 -6.854 2.309 1.00 0.00 C ATOM 952 O LEU A 61 6.365 -8.059 2.159 1.00 0.00 O ATOM 953 CB LEU A 61 3.857 -6.268 3.194 1.00 0.00 C ATOM 954 CG LEU A 61 3.151 -7.238 2.232 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.573 -7.012 0.776 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.187 -8.707 2.654 1.00 0.00 C ATOM 0 H LEU A 61 5.075 -4.362 3.922 1.00 0.00 H new ATOM 0 HA LEU A 61 5.516 -7.141 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.335 -6.336 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.687 -5.263 2.809 1.00 0.00 H new ATOM 0 HG LEU A 61 2.093 -6.983 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.050 -7.719 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.321 -5.994 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.648 -7.162 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.664 -9.311 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.223 -9.039 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.700 -8.819 3.623 1.00 0.00 H new ATOM 968 N LEU A 62 6.731 -5.971 1.463 1.00 0.00 N ATOM 969 CA LEU A 62 7.522 -6.418 0.329 1.00 0.00 C ATOM 970 C LEU A 62 8.782 -7.134 0.823 1.00 0.00 C ATOM 971 O LEU A 62 9.283 -7.989 0.108 1.00 0.00 O ATOM 972 CB LEU A 62 7.769 -5.237 -0.619 1.00 0.00 C ATOM 973 CG LEU A 62 8.726 -5.487 -1.800 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.408 -6.724 -2.656 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.720 -4.229 -2.676 1.00 0.00 C ATOM 0 H LEU A 62 6.634 -4.959 1.546 1.00 0.00 H new ATOM 0 HA LEU A 62 6.986 -7.161 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.808 -4.917 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.162 -4.406 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 62 9.707 -5.697 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.140 -6.809 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.448 -7.618 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.410 -6.624 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.390 -4.373 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.709 -4.043 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.057 -3.375 -2.089 1.00 0.00 H new ATOM 987 N SER A 63 9.220 -6.910 2.067 1.00 0.00 N ATOM 988 CA SER A 63 10.340 -7.632 2.666 1.00 0.00 C ATOM 989 C SER A 63 10.090 -9.146 2.618 1.00 0.00 C ATOM 990 O SER A 63 10.740 -9.861 1.857 1.00 0.00 O ATOM 991 CB SER A 63 10.640 -7.122 4.081 1.00 0.00 C ATOM 992 OG SER A 63 10.678 -5.707 4.120 1.00 0.00 O ATOM 0 H SER A 63 8.802 -6.217 2.688 1.00 0.00 H new ATOM 0 HA SER A 63 11.237 -7.437 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.879 -7.487 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.595 -7.523 4.420 1.00 0.00 H new ATOM 0 HG SER A 63 9.771 -5.359 4.249 1.00 0.00 H new ATOM 998 N MET A 64 9.080 -9.625 3.345 1.00 0.00 N ATOM 999 CA MET A 64 8.659 -11.029 3.326 1.00 0.00 C ATOM 1000 C MET A 64 8.147 -11.474 1.960 1.00 0.00 C ATOM 1001 O MET A 64 8.154 -12.669 1.659 1.00 0.00 O ATOM 1002 CB MET A 64 7.554 -11.274 4.359 1.00 0.00 C ATOM 1003 CG MET A 64 6.273 -10.473 4.068 1.00 0.00 C ATOM 1004 SD MET A 64 5.006 -10.569 5.364 1.00 0.00 S ATOM 1005 CE MET A 64 5.751 -9.463 6.597 1.00 0.00 C ATOM 0 H MET A 64 8.524 -9.043 3.971 1.00 0.00 H new ATOM 0 HA MET A 64 9.547 -11.613 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.314 -12.337 4.382 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.925 -11.010 5.349 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.541 -9.427 3.918 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.843 -10.829 3.132 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.779 -9.963 7.565 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.766 -9.208 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.156 -8.553 6.676 1.00 0.00 H new ATOM 1015 N GLN A 65 7.635 -10.541 1.149 1.00 0.00 N ATOM 1016 CA GLN A 65 7.185 -10.901 -0.178 1.00 0.00 C ATOM 1017 C GLN A 65 8.394 -11.255 -1.053 1.00 0.00 C ATOM 1018 O GLN A 65 8.243 -12.010 -2.013 1.00 0.00 O ATOM 1019 CB GLN A 65 6.379 -9.777 -0.842 1.00 0.00 C ATOM 1020 CG GLN A 65 5.144 -10.246 -1.623 1.00 0.00 C ATOM 1021 CD GLN A 65 5.363 -11.330 -2.678 1.00 0.00 C ATOM 1022 OE1 GLN A 65 4.930 -12.463 -2.484 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.974 -11.007 -3.811 1.00 0.00 N ATOM 0 H GLN A 65 7.528 -9.556 1.391 1.00 0.00 H new ATOM 0 HA GLN A 65 6.526 -11.763 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.060 -9.074 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.035 -9.231 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.409 -10.613 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.704 -9.378 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.325 -10.059 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.092 -11.706 -4.544 1.00 0.00 H new ATOM 1032 N GLY A 66 9.581 -10.715 -0.757 1.00 0.00 N ATOM 1033 CA GLY A 66 10.762 -10.925 -1.575 1.00 0.00 C ATOM 1034 C GLY A 66 11.785 -9.793 -1.612 1.00 0.00 C ATOM 1035 O GLY A 66 12.474 -9.693 -2.628 1.00 0.00 O ATOM 0 H GLY A 66 9.741 -10.122 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.264 -11.825 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.437 -11.122 -2.596 1.00 0.00 H new ATOM 1039 N ALA A 67 11.903 -8.939 -0.591 1.00 0.00 N ATOM 1040 CA ALA A 67 12.864 -7.840 -0.567 1.00 0.00 C ATOM 1041 C ALA A 67 13.831 -7.969 0.607 1.00 0.00 C ATOM 1042 O ALA A 67 13.480 -7.795 1.775 1.00 0.00 O ATOM 1043 CB ALA A 67 12.166 -6.477 -0.586 1.00 0.00 C ATOM 0 H ALA A 67 11.327 -8.994 0.249 1.00 0.00 H new ATOM 0 HA ALA A 67 13.456 -7.905 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.914 -5.685 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.566 -6.388 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.520 -6.387 0.287 1.00 0.00 H new ATOM 1049 N VAL A 68 15.094 -8.217 0.279 1.00 0.00 N ATOM 1050 CA VAL A 68 16.194 -8.168 1.229 1.00 0.00 C ATOM 1051 C VAL A 68 16.370 -6.738 1.779 1.00 0.00 C ATOM 1052 O VAL A 68 16.696 -6.568 2.954 1.00 0.00 O ATOM 1053 CB VAL A 68 17.443 -8.730 0.515 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.929 -7.814 -0.623 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.574 -9.034 1.500 1.00 0.00 C ATOM 0 H VAL A 68 15.384 -8.461 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 68 16.001 -8.782 2.109 1.00 0.00 H new ATOM 0 HB VAL A 68 17.138 -9.672 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.809 -8.253 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.138 -7.704 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.185 -6.835 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.433 -9.427 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.860 -8.119 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 68 18.235 -9.772 2.227 1.00 0.00 H new ATOM 1065 N ASP A 69 16.132 -5.712 0.956 1.00 0.00 N ATOM 1066 CA ASP A 69 16.414 -4.305 1.231 1.00 0.00 C ATOM 1067 C ASP A 69 15.418 -3.507 0.413 1.00 0.00 C ATOM 1068 O ASP A 69 15.701 -3.103 -0.717 1.00 0.00 O ATOM 1069 CB ASP A 69 17.843 -3.946 0.788 1.00 0.00 C ATOM 1070 CG ASP A 69 18.909 -4.468 1.736 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.993 -3.942 2.872 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.690 -5.377 1.362 1.00 0.00 O ATOM 0 H ASP A 69 15.717 -5.850 0.035 1.00 0.00 H new ATOM 0 HA ASP A 69 16.331 -4.092 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.021 -4.351 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.932 -2.862 0.712 1.00 0.00 H new ATOM 1077 N ILE A 70 14.243 -3.292 0.995 1.00 0.00 N ATOM 1078 CA ILE A 70 13.373 -2.197 0.611 1.00 0.00 C ATOM 1079 C ILE A 70 12.946 -1.411 1.830 1.00 0.00 C ATOM 1080 O ILE A 70 12.889 -0.204 1.718 1.00 0.00 O ATOM 1081 CB ILE A 70 12.192 -2.684 -0.247 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.681 -1.596 -1.202 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.044 -3.294 0.572 1.00 0.00 C ATOM 1084 CD1 ILE A 70 12.711 -1.306 -2.299 1.00 0.00 C ATOM 0 H ILE A 70 13.871 -3.874 1.745 1.00 0.00 H new ATOM 0 HA ILE A 70 13.932 -1.512 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 70 12.596 -3.496 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.742 -1.915 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.472 -0.684 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.248 -3.615 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.413 -4.153 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.655 -2.548 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.327 -0.532 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.641 -0.965 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.899 -2.215 -2.871 1.00 0.00 H new ATOM 1096 N ASN A 71 12.715 -2.055 2.979 1.00 0.00 N ATOM 1097 CA ASN A 71 12.086 -1.473 4.162 1.00 0.00 C ATOM 1098 C ASN A 71 12.619 -0.064 4.428 1.00 0.00 C ATOM 1099 O ASN A 71 11.928 0.918 4.167 1.00 0.00 O ATOM 1100 CB ASN A 71 12.263 -2.429 5.358 1.00 0.00 C ATOM 1101 CG ASN A 71 11.440 -2.038 6.577 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.869 -0.962 6.652 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.385 -2.896 7.582 1.00 0.00 N ATOM 0 H ASN A 71 12.972 -3.033 3.112 1.00 0.00 H new ATOM 0 HA ASN A 71 11.015 -1.356 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.985 -3.437 5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.317 -2.459 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.863 -2.660 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.864 -3.794 7.513 1.00 0.00 H new ATOM 1110 N ARG A 72 13.895 0.057 4.814 1.00 0.00 N ATOM 1111 CA ARG A 72 14.475 1.369 5.136 1.00 0.00 C ATOM 1112 C ARG A 72 14.569 2.282 3.922 1.00 0.00 C ATOM 1113 O ARG A 72 14.328 3.484 4.022 1.00 0.00 O ATOM 1114 CB ARG A 72 15.882 1.214 5.698 1.00 0.00 C ATOM 1115 CG ARG A 72 15.879 0.719 7.145 1.00 0.00 C ATOM 1116 CD ARG A 72 16.192 -0.771 7.223 1.00 0.00 C ATOM 1117 NE ARG A 72 15.937 -1.293 8.572 1.00 0.00 N ATOM 1118 CZ ARG A 72 16.572 -2.318 9.149 1.00 0.00 C ATOM 1119 NH1 ARG A 72 17.583 -2.913 8.521 1.00 0.00 N ATOM 1120 NH2 ARG A 72 16.159 -2.749 10.337 1.00 0.00 N ATOM 0 H ARG A 72 14.540 -0.727 4.911 1.00 0.00 H new ATOM 0 HA ARG A 72 13.805 1.816 5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.443 0.514 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.399 2.172 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.614 1.278 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.905 0.912 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.583 -1.312 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.234 -0.942 6.954 1.00 0.00 H new ATOM 0 HE ARG A 72 15.209 -0.832 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.874 -2.587 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.067 -3.695 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.367 -2.298 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.634 -3.530 10.789 1.00 0.00 H new ATOM 1134 N LEU A 73 14.900 1.695 2.776 1.00 0.00 N ATOM 1135 CA LEU A 73 15.074 2.353 1.488 1.00 0.00 C ATOM 1136 C LEU A 73 13.746 2.881 0.950 1.00 0.00 C ATOM 1137 O LEU A 73 13.714 3.558 -0.082 1.00 0.00 O ATOM 1138 CB LEU A 73 15.658 1.367 0.459 1.00 0.00 C ATOM 1139 CG LEU A 73 17.029 0.773 0.812 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.001 -0.314 1.900 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.636 0.150 -0.442 1.00 0.00 C ATOM 0 H LEU A 73 15.063 0.690 2.720 1.00 0.00 H new ATOM 0 HA LEU A 73 15.757 3.189 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.951 0.548 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.740 1.877 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 73 17.615 1.604 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.014 -0.673 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.594 0.103 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.376 -1.143 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.611 -0.275 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.978 -0.636 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.753 0.916 -1.209 1.00 0.00 H new ATOM 1153 N CYS A 74 12.646 2.543 1.618 1.00 0.00 N ATOM 1154 CA CYS A 74 11.313 2.931 1.285 1.00 0.00 C ATOM 1155 C CYS A 74 10.894 3.912 2.373 1.00 0.00 C ATOM 1156 O CYS A 74 10.342 4.934 2.004 1.00 0.00 O ATOM 1157 CB CYS A 74 10.427 1.687 1.110 1.00 0.00 C ATOM 1158 SG CYS A 74 9.086 2.102 -0.046 1.00 0.00 S ATOM 0 H CYS A 74 12.683 1.957 2.452 1.00 0.00 H new ATOM 0 HA CYS A 74 11.218 3.435 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.015 0.853 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.018 1.374 2.070 1.00 0.00 H new ATOM 0 HG CYS A 74 8.321 1.064 -0.214 1.00 0.00 H new ATOM 1164 N GLU A 75 11.245 3.726 3.659 1.00 0.00 N ATOM 1165 CA GLU A 75 11.024 4.731 4.710 1.00 0.00 C ATOM 1166 C GLU A 75 11.590 6.111 4.341 1.00 0.00 C ATOM 1167 O GLU A 75 10.983 7.118 4.675 1.00 0.00 O ATOM 1168 CB GLU A 75 11.537 4.253 6.082 1.00 0.00 C ATOM 1169 CG GLU A 75 10.782 3.005 6.566 1.00 0.00 C ATOM 1170 CD GLU A 75 10.901 2.731 8.070 1.00 0.00 C ATOM 1171 OE1 GLU A 75 12.029 2.468 8.552 1.00 0.00 O ATOM 1172 OE2 GLU A 75 9.865 2.633 8.772 1.00 0.00 O ATOM 0 H GLU A 75 11.690 2.873 3.997 1.00 0.00 H new ATOM 0 HA GLU A 75 9.944 4.852 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.602 4.031 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.423 5.054 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.728 3.113 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.154 2.137 6.021 1.00 0.00 H new ATOM 1179 N GLU A 76 12.659 6.203 3.549 1.00 0.00 N ATOM 1180 CA GLU A 76 13.147 7.517 3.088 1.00 0.00 C ATOM 1181 C GLU A 76 12.196 8.125 2.044 1.00 0.00 C ATOM 1182 O GLU A 76 12.040 9.338 1.903 1.00 0.00 O ATOM 1183 CB GLU A 76 14.572 7.422 2.517 1.00 0.00 C ATOM 1184 CG GLU A 76 15.128 8.836 2.251 1.00 0.00 C ATOM 1185 CD GLU A 76 16.577 8.831 1.785 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.487 8.604 2.615 1.00 0.00 O ATOM 1187 OE2 GLU A 76 16.839 9.071 0.587 1.00 0.00 O ATOM 0 H GLU A 76 13.199 5.405 3.215 1.00 0.00 H new ATOM 0 HA GLU A 76 13.174 8.173 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.219 6.894 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.565 6.845 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.512 9.326 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.048 9.429 3.162 1.00 0.00 H new ATOM 1194 N MET A 77 11.547 7.257 1.287 1.00 0.00 N ATOM 1195 CA MET A 77 10.533 7.546 0.295 1.00 0.00 C ATOM 1196 C MET A 77 9.142 7.707 0.923 1.00 0.00 C ATOM 1197 O MET A 77 8.181 7.879 0.170 1.00 0.00 O ATOM 1198 CB MET A 77 10.565 6.439 -0.765 1.00 0.00 C ATOM 1199 CG MET A 77 10.309 7.017 -2.161 1.00 0.00 C ATOM 1200 SD MET A 77 10.825 5.944 -3.527 1.00 0.00 S ATOM 1201 CE MET A 77 11.017 7.219 -4.790 1.00 0.00 C ATOM 0 H MET A 77 11.732 6.256 1.358 1.00 0.00 H new ATOM 0 HA MET A 77 10.750 8.504 -0.178 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.533 5.938 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.812 5.686 -0.534 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.244 7.227 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.832 7.970 -2.247 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.336 6.759 -5.726 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.065 7.727 -4.941 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.767 7.941 -4.467 1.00 0.00 H new ATOM 1211 N LEU A 78 9.012 7.600 2.256 1.00 0.00 N ATOM 1212 CA LEU A 78 7.743 7.652 2.976 1.00 0.00 C ATOM 1213 C LEU A 78 7.772 8.731 4.065 1.00 0.00 C ATOM 1214 O LEU A 78 6.937 9.630 4.080 1.00 0.00 O ATOM 1215 CB LEU A 78 7.405 6.276 3.584 1.00 0.00 C ATOM 1216 CG LEU A 78 7.271 5.126 2.563 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.692 3.787 3.181 1.00 0.00 C ATOM 1218 CD2 LEU A 78 5.856 5.012 2.003 1.00 0.00 C ATOM 0 H LEU A 78 9.814 7.472 2.873 1.00 0.00 H new ATOM 0 HA LEU A 78 6.962 7.914 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.180 6.014 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.470 6.360 4.138 1.00 0.00 H new ATOM 0 HG LEU A 78 7.941 5.366 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.587 2.995 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.731 3.846 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.057 3.567 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.812 4.189 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.156 4.824 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.587 5.942 1.502 1.00 0.00 H new ATOM 1230 N ASP A 79 8.775 8.705 4.941 1.00 0.00 N ATOM 1231 CA ASP A 79 8.978 9.746 5.949 1.00 0.00 C ATOM 1232 C ASP A 79 9.468 10.985 5.216 1.00 0.00 C ATOM 1233 O ASP A 79 8.715 11.909 4.945 1.00 0.00 O ATOM 1234 CB ASP A 79 9.954 9.340 7.069 1.00 0.00 C ATOM 1235 CG ASP A 79 9.378 8.523 8.232 1.00 0.00 C ATOM 1236 OD1 ASP A 79 8.143 8.292 8.276 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.167 8.175 9.141 1.00 0.00 O ATOM 0 H ASP A 79 9.471 7.960 4.972 1.00 0.00 H new ATOM 0 HA ASP A 79 8.034 9.931 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.765 8.766 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.396 10.248 7.479 1.00 0.00 H new ATOM 1242 N ASN A 80 10.720 10.996 4.776 1.00 0.00 N ATOM 1243 CA ASN A 80 11.372 12.108 4.058 1.00 0.00 C ATOM 1244 C ASN A 80 10.832 12.343 2.636 1.00 0.00 C ATOM 1245 O ASN A 80 11.349 13.136 1.849 1.00 0.00 O ATOM 1246 CB ASN A 80 12.844 11.768 4.065 1.00 0.00 C ATOM 1247 CG ASN A 80 13.722 12.784 3.356 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.741 13.961 3.704 1.00 0.00 O ATOM 1249 ND2 ASN A 80 14.507 12.359 2.383 1.00 0.00 N ATOM 0 H ASN A 80 11.344 10.201 4.911 1.00 0.00 H new ATOM 0 HA ASN A 80 11.164 13.056 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.179 11.674 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.983 10.794 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.136 13.011 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.484 11.379 2.101 1.00 0.00 H new ATOM 1256 N ARG A 81 9.752 11.654 2.295 1.00 0.00 N ATOM 1257 CA ARG A 81 8.823 12.006 1.241 1.00 0.00 C ATOM 1258 C ARG A 81 8.256 13.400 1.453 1.00 0.00 C ATOM 1259 O ARG A 81 8.272 14.193 0.509 1.00 0.00 O ATOM 1260 CB ARG A 81 7.673 10.993 1.280 1.00 0.00 C ATOM 1261 CG ARG A 81 6.619 11.149 0.193 1.00 0.00 C ATOM 1262 CD ARG A 81 7.233 10.994 -1.195 1.00 0.00 C ATOM 1263 NE ARG A 81 6.273 11.364 -2.246 1.00 0.00 N ATOM 1264 CZ ARG A 81 5.831 12.607 -2.483 1.00 0.00 C ATOM 1265 NH1 ARG A 81 6.320 13.651 -1.817 1.00 0.00 N ATOM 1266 NH2 ARG A 81 4.889 12.813 -3.394 1.00 0.00 N ATOM 0 H ARG A 81 9.491 10.792 2.773 1.00 0.00 H new ATOM 0 HA ARG A 81 9.341 11.992 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.094 9.990 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.182 11.066 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.836 10.404 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.147 12.128 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.122 11.620 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.555 9.963 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 81 5.916 10.616 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.044 13.513 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.971 14.589 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.501 12.026 -3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.552 13.759 -3.575 1.00 0.00 H new ATOM 1280 N ALA A 82 7.620 13.599 2.612 1.00 0.00 N ATOM 1281 CA ALA A 82 6.685 14.678 2.928 1.00 0.00 C ATOM 1282 C ALA A 82 6.167 14.575 4.380 1.00 0.00 C ATOM 1283 O ALA A 82 5.137 15.168 4.712 1.00 0.00 O ATOM 1284 CB ALA A 82 5.512 14.652 1.930 1.00 0.00 C ATOM 0 H ALA A 82 7.755 12.969 3.403 1.00 0.00 H new ATOM 0 HA ALA A 82 7.214 15.627 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.815 15.456 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.893 14.787 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.997 13.694 1.999 1.00 0.00 H new ATOM 1290 N THR A 83 6.859 13.809 5.224 1.00 0.00 N ATOM 1291 CA THR A 83 6.648 13.605 6.655 1.00 0.00 C ATOM 1292 C THR A 83 5.225 13.145 6.997 1.00 0.00 C ATOM 1293 O THR A 83 4.583 13.708 7.892 1.00 0.00 O ATOM 1294 CB THR A 83 7.214 14.801 7.458 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.323 15.893 7.572 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.504 15.338 6.826 1.00 0.00 C ATOM 0 H THR A 83 7.655 13.266 4.890 1.00 0.00 H new ATOM 0 HA THR A 83 7.232 12.747 6.988 1.00 0.00 H new ATOM 0 HB THR A 83 7.395 14.392 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.449 15.571 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.875 16.177 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.255 14.548 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.300 15.671 5.808 1.00 0.00 H new ATOM 1304 N LEU A 84 4.711 12.162 6.243 1.00 0.00 N ATOM 1305 CA LEU A 84 3.317 11.710 6.346 1.00 0.00 C ATOM 1306 C LEU A 84 3.074 10.277 5.858 1.00 0.00 C ATOM 1307 O LEU A 84 2.178 9.603 6.378 1.00 0.00 O ATOM 1308 CB LEU A 84 2.410 12.642 5.514 1.00 0.00 C ATOM 1309 CG LEU A 84 1.173 13.199 6.244 1.00 0.00 C ATOM 1310 CD1 LEU A 84 0.288 12.135 6.889 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.562 14.192 7.342 1.00 0.00 C ATOM 0 H LEU A 84 5.253 11.657 5.542 1.00 0.00 H new ATOM 0 HA LEU A 84 3.084 11.737 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.009 13.481 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.073 12.098 4.632 1.00 0.00 H new ATOM 0 HG LEU A 84 0.605 13.686 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.558 12.615 7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.077 11.452 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.867 11.578 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.662 14.562 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.197 13.694 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.105 15.028 6.901 1.00 0.00 H new ATOM 1323 N GLN A 85 3.781 9.879 4.794 1.00 0.00 N ATOM 1324 CA GLN A 85 3.447 8.714 3.983 1.00 0.00 C ATOM 1325 C GLN A 85 3.595 7.442 4.795 1.00 0.00 C ATOM 1326 O GLN A 85 4.534 7.340 5.602 1.00 0.00 O ATOM 1327 CB GLN A 85 4.311 8.656 2.710 1.00 0.00 C ATOM 1328 CG GLN A 85 3.539 8.710 1.387 1.00 0.00 C ATOM 1329 CD GLN A 85 2.923 7.397 0.918 1.00 0.00 C ATOM 1330 OE1 GLN A 85 2.631 6.482 1.813 1.00 0.00 O flip ATOM 1331 NE2 GLN A 85 2.690 7.213 -0.279 1.00 0.00 N flip ATOM 0 H GLN A 85 4.615 10.370 4.471 1.00 0.00 H new ATOM 0 HA GLN A 85 2.406 8.805 3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.017 9.486 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.898 7.738 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.742 9.448 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.214 9.070 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.923 7.935 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.264 6.339 -0.587 1.00 0.00 H new TER 1340 GLN A 85