USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.715 K(o=-2.9,f=-6.5!) USER MOD Set 1.3: A 24 GLN : amide:sc= -2.16 K(o=-2.9,f=-5.6!) USER MOD Set 1.4: A 61 TYR OH : rot 180:sc= 0.0066 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.203 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0907) USER MOD Single : A 18 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.63! C(o=-5.6!,f=-8!) USER MOD Single : A 35 SER OG : rot -94:sc= 0.968 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 105:sc= -6.12! USER MOD Single : A 55 GLN : amide:sc= -1.24 K(o=-1.2,f=-4.5!) USER MOD Single : A 59 GLN : amide:sc= -1.17 K(o=-1.2,f=-2!) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.0844 USER MOD Single : A 66 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.466 -18.650 -2.628 1.00 0.00 N ATOM 2 CA MET A 1 12.307 -17.435 -2.843 1.00 0.00 C ATOM 3 C MET A 1 12.494 -17.176 -4.341 1.00 0.00 C ATOM 4 O MET A 1 13.601 -17.061 -4.826 1.00 0.00 O ATOM 5 CB MET A 1 13.649 -17.761 -2.186 1.00 0.00 C ATOM 6 CG MET A 1 14.496 -16.489 -2.098 1.00 0.00 C ATOM 7 SD MET A 1 15.872 -16.598 -3.270 1.00 0.00 S ATOM 8 CE MET A 1 16.854 -15.235 -2.595 1.00 0.00 C ATOM 0 H1 MET A 1 11.347 -18.814 -1.608 1.00 0.00 H new ATOM 0 H2 MET A 1 10.534 -18.509 -3.067 1.00 0.00 H new ATOM 0 H3 MET A 1 11.931 -19.474 -3.059 1.00 0.00 H new ATOM 0 HA MET A 1 11.851 -16.539 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.488 -18.173 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.174 -18.521 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.883 -15.615 -2.320 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.877 -16.362 -1.085 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.768 -15.121 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.276 -14.312 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.110 -15.450 -1.558 1.00 0.00 H new ATOM 20 N VAL A 2 11.419 -17.083 -5.076 1.00 0.00 N ATOM 21 CA VAL A 2 11.538 -16.829 -6.542 1.00 0.00 C ATOM 22 C VAL A 2 10.611 -15.682 -6.958 1.00 0.00 C ATOM 23 O VAL A 2 10.420 -15.419 -8.129 1.00 0.00 O ATOM 24 CB VAL A 2 11.105 -18.136 -7.208 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.988 -19.279 -6.708 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.644 -18.428 -6.858 1.00 0.00 C ATOM 0 H VAL A 2 10.465 -17.172 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 2 12.549 -16.540 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 2 11.207 -18.044 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.680 -20.211 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.028 -19.071 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.886 -19.371 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.335 -19.359 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.540 -18.520 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.014 -17.613 -7.215 1.00 0.00 H new ATOM 36 N ASP A 3 10.034 -14.999 -6.009 1.00 0.00 N ATOM 37 CA ASP A 3 9.122 -13.871 -6.352 1.00 0.00 C ATOM 38 C ASP A 3 9.219 -12.767 -5.294 1.00 0.00 C ATOM 39 O ASP A 3 8.223 -12.233 -4.846 1.00 0.00 O ATOM 40 CB ASP A 3 7.722 -14.485 -6.359 1.00 0.00 C ATOM 41 CG ASP A 3 7.060 -14.232 -7.716 1.00 0.00 C ATOM 42 OD1 ASP A 3 7.581 -14.719 -8.706 1.00 0.00 O ATOM 43 OD2 ASP A 3 6.046 -13.556 -7.740 1.00 0.00 O ATOM 0 H ASP A 3 10.154 -15.173 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 3 9.373 -13.414 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.782 -15.556 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.119 -14.051 -5.562 1.00 0.00 H new ATOM 48 N SER A 4 10.413 -12.419 -4.892 1.00 0.00 N ATOM 49 CA SER A 4 10.573 -11.347 -3.866 1.00 0.00 C ATOM 50 C SER A 4 9.692 -10.143 -4.215 1.00 0.00 C ATOM 51 O SER A 4 9.065 -10.104 -5.254 1.00 0.00 O ATOM 52 CB SER A 4 12.051 -10.961 -3.925 1.00 0.00 C ATOM 53 OG SER A 4 12.775 -11.968 -4.621 1.00 0.00 O ATOM 0 H SER A 4 11.283 -12.830 -5.229 1.00 0.00 H new ATOM 0 HA SER A 4 10.276 -11.681 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.168 -10.001 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.448 -10.843 -2.917 1.00 0.00 H new ATOM 0 HG SER A 4 13.723 -11.721 -4.661 1.00 0.00 H new ATOM 59 N LYS A 5 9.641 -9.162 -3.356 1.00 0.00 N ATOM 60 CA LYS A 5 8.801 -7.964 -3.643 1.00 0.00 C ATOM 61 C LYS A 5 7.350 -8.388 -3.909 1.00 0.00 C ATOM 62 O LYS A 5 6.823 -9.263 -3.252 1.00 0.00 O ATOM 63 CB LYS A 5 9.424 -7.342 -4.895 1.00 0.00 C ATOM 64 CG LYS A 5 9.521 -5.824 -4.716 1.00 0.00 C ATOM 65 CD LYS A 5 10.861 -5.470 -4.066 1.00 0.00 C ATOM 66 CE LYS A 5 11.760 -4.777 -5.092 1.00 0.00 C ATOM 67 NZ LYS A 5 12.913 -4.259 -4.301 1.00 0.00 N ATOM 0 H LYS A 5 10.144 -9.138 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 5 8.775 -7.262 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.414 -7.763 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.819 -7.578 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.431 -5.327 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.699 -5.467 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.700 -4.817 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.346 -6.372 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.090 -5.473 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.232 -3.968 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.577 -3.769 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.568 -3.594 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.399 -5.052 -3.836 1.00 0.00 H new ATOM 81 N LYS A 6 6.702 -7.771 -4.865 1.00 0.00 N ATOM 82 CA LYS A 6 5.285 -8.139 -5.172 1.00 0.00 C ATOM 83 C LYS A 6 5.074 -9.644 -4.986 1.00 0.00 C ATOM 84 O LYS A 6 5.387 -10.437 -5.854 1.00 0.00 O ATOM 85 CB LYS A 6 5.085 -7.748 -6.636 1.00 0.00 C ATOM 86 CG LYS A 6 6.056 -8.542 -7.513 1.00 0.00 C ATOM 87 CD LYS A 6 6.537 -7.661 -8.667 1.00 0.00 C ATOM 88 CE LYS A 6 7.792 -6.899 -8.237 1.00 0.00 C ATOM 89 NZ LYS A 6 8.930 -7.736 -8.711 1.00 0.00 N ATOM 0 H LYS A 6 7.092 -7.029 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 6 4.577 -7.637 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.057 -7.948 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.253 -6.679 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.906 -8.879 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.565 -9.434 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.753 -8.275 -9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.753 -6.960 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.822 -5.904 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.823 -6.766 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.828 -7.279 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.879 -8.675 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.878 -7.839 -9.745 1.00 0.00 H new ATOM 103 N ARG A 7 4.555 -10.045 -3.859 1.00 0.00 N ATOM 104 CA ARG A 7 4.333 -11.498 -3.614 1.00 0.00 C ATOM 105 C ARG A 7 3.216 -12.030 -4.514 1.00 0.00 C ATOM 106 O ARG A 7 3.433 -12.915 -5.316 1.00 0.00 O ATOM 107 CB ARG A 7 3.931 -11.594 -2.142 1.00 0.00 C ATOM 108 CG ARG A 7 5.111 -12.115 -1.322 1.00 0.00 C ATOM 109 CD ARG A 7 4.827 -13.552 -0.874 1.00 0.00 C ATOM 110 NE ARG A 7 5.032 -13.541 0.600 1.00 0.00 N ATOM 111 CZ ARG A 7 5.304 -14.652 1.230 1.00 0.00 C ATOM 112 NH1 ARG A 7 5.314 -15.785 0.583 1.00 0.00 N ATOM 113 NH2 ARG A 7 5.565 -14.628 2.509 1.00 0.00 N ATOM 0 H ARG A 7 4.275 -9.429 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 7 5.220 -12.091 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.623 -10.615 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.075 -12.260 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.024 -12.082 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.274 -11.477 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.811 -13.852 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.500 -14.258 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 7 4.960 -12.665 1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.109 -15.804 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.527 -16.652 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.556 -13.742 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.778 -15.495 3.002 1.00 0.00 H new ATOM 127 N PRO A 8 2.052 -11.466 -4.348 1.00 0.00 N ATOM 128 CA PRO A 8 0.885 -11.886 -5.154 1.00 0.00 C ATOM 129 C PRO A 8 1.021 -11.384 -6.593 1.00 0.00 C ATOM 130 O PRO A 8 0.632 -12.050 -7.532 1.00 0.00 O ATOM 131 CB PRO A 8 -0.293 -11.213 -4.460 1.00 0.00 C ATOM 132 CG PRO A 8 0.297 -10.033 -3.749 1.00 0.00 C ATOM 133 CD PRO A 8 1.723 -10.396 -3.405 1.00 0.00 C ATOM 0 HA PRO A 8 0.777 -12.969 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.050 -10.902 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.779 -11.893 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.266 -9.146 -4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.271 -9.802 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.391 -9.543 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.811 -10.733 -2.372 1.00 0.00 H new ATOM 141 N GLY A 9 1.566 -10.213 -6.773 1.00 0.00 N ATOM 142 CA GLY A 9 1.719 -9.668 -8.151 1.00 0.00 C ATOM 143 C GLY A 9 0.349 -9.606 -8.828 1.00 0.00 C ATOM 144 O GLY A 9 -0.630 -9.208 -8.229 1.00 0.00 O ATOM 0 H GLY A 9 1.912 -9.610 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.164 -8.673 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.395 -10.297 -8.730 1.00 0.00 H new ATOM 148 N LYS A 10 0.270 -9.999 -10.070 1.00 0.00 N ATOM 149 CA LYS A 10 -1.042 -9.964 -10.783 1.00 0.00 C ATOM 150 C LYS A 10 -1.797 -8.677 -10.440 1.00 0.00 C ATOM 151 O LYS A 10 -1.216 -7.616 -10.331 1.00 0.00 O ATOM 152 CB LYS A 10 -1.804 -11.184 -10.264 1.00 0.00 C ATOM 153 CG LYS A 10 -2.730 -11.715 -11.363 1.00 0.00 C ATOM 154 CD LYS A 10 -2.060 -12.896 -12.067 1.00 0.00 C ATOM 155 CE LYS A 10 -3.006 -13.458 -13.132 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.850 -12.550 -14.303 1.00 0.00 N ATOM 0 H LYS A 10 1.055 -10.343 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.924 -9.984 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.103 -11.961 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.386 -10.915 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.682 -12.027 -10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.949 -10.926 -12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.125 -12.576 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.809 -13.671 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.745 -14.484 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.037 -13.471 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.789 -12.273 -14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.324 -11.700 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.329 -13.042 -15.057 1.00 0.00 H new ATOM 170 N ASP A 11 -3.087 -8.762 -10.265 1.00 0.00 N ATOM 171 CA ASP A 11 -3.875 -7.543 -9.924 1.00 0.00 C ATOM 172 C ASP A 11 -3.356 -6.928 -8.624 1.00 0.00 C ATOM 173 O ASP A 11 -3.669 -7.385 -7.543 1.00 0.00 O ATOM 174 CB ASP A 11 -5.309 -8.036 -9.744 1.00 0.00 C ATOM 175 CG ASP A 11 -5.312 -9.293 -8.875 1.00 0.00 C ATOM 176 OD1 ASP A 11 -4.302 -9.554 -8.241 1.00 0.00 O ATOM 177 OD2 ASP A 11 -6.323 -9.975 -8.856 1.00 0.00 O ATOM 0 H ASP A 11 -3.630 -9.622 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.801 -6.775 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.916 -7.259 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.755 -8.251 -10.715 1.00 0.00 H new ATOM 182 N LEU A 12 -2.563 -5.900 -8.719 1.00 0.00 N ATOM 183 CA LEU A 12 -2.023 -5.262 -7.485 1.00 0.00 C ATOM 184 C LEU A 12 -2.055 -3.738 -7.617 1.00 0.00 C ATOM 185 O LEU A 12 -1.482 -3.173 -8.526 1.00 0.00 O ATOM 186 CB LEU A 12 -0.583 -5.757 -7.387 1.00 0.00 C ATOM 187 CG LEU A 12 -0.366 -6.422 -6.030 1.00 0.00 C ATOM 188 CD1 LEU A 12 0.943 -7.212 -6.053 1.00 0.00 C ATOM 189 CD2 LEU A 12 -0.295 -5.348 -4.943 1.00 0.00 C ATOM 0 H LEU A 12 -2.265 -5.473 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.607 -5.516 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.375 -6.466 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.109 -4.924 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.194 -7.099 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.098 -7.687 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.893 -7.977 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.772 -6.536 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.140 -5.821 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.534 -4.672 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.228 -4.785 -4.927 1.00 0.00 H new ATOM 201 N ASP A 13 -2.712 -3.069 -6.711 1.00 0.00 N ATOM 202 CA ASP A 13 -2.769 -1.583 -6.784 1.00 0.00 C ATOM 203 C ASP A 13 -1.360 -1.003 -6.730 1.00 0.00 C ATOM 204 O ASP A 13 -0.537 -1.416 -5.936 1.00 0.00 O ATOM 205 CB ASP A 13 -3.575 -1.155 -5.556 1.00 0.00 C ATOM 206 CG ASP A 13 -3.014 -1.845 -4.312 1.00 0.00 C ATOM 207 OD1 ASP A 13 -3.295 -3.018 -4.131 1.00 0.00 O ATOM 208 OD2 ASP A 13 -2.309 -1.189 -3.562 1.00 0.00 O ATOM 0 H ASP A 13 -3.211 -3.486 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.224 -1.230 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.529 -0.073 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.625 -1.417 -5.688 1.00 0.00 H new ATOM 213 N ARG A 14 -1.069 -0.054 -7.572 1.00 0.00 N ATOM 214 CA ARG A 14 0.292 0.542 -7.574 1.00 0.00 C ATOM 215 C ARG A 14 0.716 0.908 -6.148 1.00 0.00 C ATOM 216 O ARG A 14 1.887 1.051 -5.855 1.00 0.00 O ATOM 217 CB ARG A 14 0.176 1.797 -8.438 1.00 0.00 C ATOM 218 CG ARG A 14 1.522 2.524 -8.466 1.00 0.00 C ATOM 219 CD ARG A 14 2.639 1.517 -8.753 1.00 0.00 C ATOM 220 NE ARG A 14 3.538 2.208 -9.720 1.00 0.00 N ATOM 221 CZ ARG A 14 4.627 1.620 -10.132 1.00 0.00 C ATOM 222 NH1 ARG A 14 5.506 1.195 -9.265 1.00 0.00 N ATOM 223 NH2 ARG A 14 4.839 1.460 -11.409 1.00 0.00 N ATOM 0 H ARG A 14 -1.715 0.334 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 14 1.042 -0.149 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.125 1.528 -9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.597 2.455 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.512 3.301 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.700 3.019 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.172 1.247 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.240 0.594 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 14 3.302 3.140 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.341 1.323 -8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.358 0.735 -9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.153 1.795 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.691 1.000 -11.731 1.00 0.00 H new ATOM 237 N ILE A 15 -0.228 1.062 -5.259 1.00 0.00 N ATOM 238 CA ILE A 15 0.123 1.420 -3.855 1.00 0.00 C ATOM 239 C ILE A 15 0.717 0.212 -3.129 1.00 0.00 C ATOM 240 O ILE A 15 1.714 0.319 -2.447 1.00 0.00 O ATOM 241 CB ILE A 15 -1.196 1.838 -3.208 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.965 2.763 -4.159 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.904 2.579 -1.906 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.011 3.809 -4.741 1.00 0.00 C ATOM 0 H ILE A 15 -1.225 0.956 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 15 0.869 2.214 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.797 0.953 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.417 2.181 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.778 3.255 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.842 2.880 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.357 1.923 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.304 3.464 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.559 4.466 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.580 4.399 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.213 3.308 -5.290 1.00 0.00 H new ATOM 256 N ASP A 16 0.116 -0.936 -3.271 1.00 0.00 N ATOM 257 CA ASP A 16 0.658 -2.144 -2.586 1.00 0.00 C ATOM 258 C ASP A 16 1.971 -2.579 -3.240 1.00 0.00 C ATOM 259 O ASP A 16 2.882 -3.038 -2.581 1.00 0.00 O ATOM 260 CB ASP A 16 -0.415 -3.217 -2.772 1.00 0.00 C ATOM 261 CG ASP A 16 -1.494 -3.052 -1.701 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.192 -2.486 -0.664 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.607 -3.494 -1.937 1.00 0.00 O ATOM 0 H ASP A 16 -0.724 -1.091 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 16 0.874 -1.961 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.858 -3.135 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.032 -4.209 -2.703 1.00 0.00 H new ATOM 268 N ARG A 17 2.076 -2.433 -4.532 1.00 0.00 N ATOM 269 CA ARG A 17 3.333 -2.832 -5.225 1.00 0.00 C ATOM 270 C ARG A 17 4.464 -1.886 -4.847 1.00 0.00 C ATOM 271 O ARG A 17 5.423 -2.272 -4.211 1.00 0.00 O ATOM 272 CB ARG A 17 3.014 -2.718 -6.715 1.00 0.00 C ATOM 273 CG ARG A 17 3.053 -4.105 -7.356 1.00 0.00 C ATOM 274 CD ARG A 17 3.329 -3.967 -8.855 1.00 0.00 C ATOM 275 NE ARG A 17 2.747 -5.194 -9.465 1.00 0.00 N ATOM 276 CZ ARG A 17 2.620 -5.282 -10.762 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.936 -4.268 -11.523 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.181 -6.388 -11.300 1.00 0.00 N ATOM 0 H ARG A 17 1.347 -2.055 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 17 3.656 -3.837 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.030 -2.270 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.734 -2.061 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.827 -4.712 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.105 -4.618 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.867 -3.067 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.398 -3.895 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 17 2.447 -5.966 -8.870 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.283 -3.405 -11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.836 -4.340 -12.536 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.938 -7.182 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.081 -6.458 -12.313 1.00 0.00 H new ATOM 292 N ASN A 18 4.355 -0.650 -5.221 1.00 0.00 N ATOM 293 CA ASN A 18 5.419 0.323 -4.870 1.00 0.00 C ATOM 294 C ASN A 18 5.677 0.268 -3.372 1.00 0.00 C ATOM 295 O ASN A 18 6.762 0.553 -2.905 1.00 0.00 O ATOM 296 CB ASN A 18 4.865 1.689 -5.274 1.00 0.00 C ATOM 297 CG ASN A 18 5.869 2.398 -6.185 1.00 0.00 C ATOM 298 OD1 ASN A 18 7.042 2.086 -6.175 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.454 3.347 -6.979 1.00 0.00 N ATOM 0 H ASN A 18 3.575 -0.269 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 18 6.363 0.113 -5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.912 1.569 -5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.674 2.293 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.115 3.826 -7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.468 3.610 -6.988 1.00 0.00 H new ATOM 306 N ILE A 19 4.693 -0.122 -2.613 1.00 0.00 N ATOM 307 CA ILE A 19 4.886 -0.224 -1.148 1.00 0.00 C ATOM 308 C ILE A 19 5.817 -1.395 -0.841 1.00 0.00 C ATOM 309 O ILE A 19 6.765 -1.269 -0.091 1.00 0.00 O ATOM 310 CB ILE A 19 3.486 -0.466 -0.577 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.836 0.879 -0.240 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.581 -1.314 0.695 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.353 0.668 0.075 1.00 0.00 C ATOM 0 H ILE A 19 3.763 -0.374 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 19 5.339 0.668 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 19 2.883 -0.993 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.338 1.333 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.946 1.568 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.581 -1.482 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.044 -2.273 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.186 -0.792 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.892 1.626 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.855 0.232 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.254 -0.005 0.927 1.00 0.00 H new ATOM 325 N LEU A 20 5.573 -2.534 -1.437 1.00 0.00 N ATOM 326 CA LEU A 20 6.468 -3.696 -1.194 1.00 0.00 C ATOM 327 C LEU A 20 7.864 -3.375 -1.727 1.00 0.00 C ATOM 328 O LEU A 20 8.862 -3.784 -1.169 1.00 0.00 O ATOM 329 CB LEU A 20 5.844 -4.854 -1.976 1.00 0.00 C ATOM 330 CG LEU A 20 4.475 -5.196 -1.380 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.671 -6.021 -2.386 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.664 -6.005 -0.095 1.00 0.00 C ATOM 0 H LEU A 20 4.797 -2.706 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 20 6.568 -3.939 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.737 -4.582 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.497 -5.726 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 20 3.939 -4.274 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.697 -6.264 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.534 -5.446 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.208 -6.942 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.690 -6.248 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.201 -6.926 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.236 -5.418 0.624 1.00 0.00 H new ATOM 344 N ASN A 21 7.941 -2.613 -2.790 1.00 0.00 N ATOM 345 CA ASN A 21 9.271 -2.233 -3.336 1.00 0.00 C ATOM 346 C ASN A 21 9.950 -1.254 -2.382 1.00 0.00 C ATOM 347 O ASN A 21 11.160 -1.192 -2.292 1.00 0.00 O ATOM 348 CB ASN A 21 8.972 -1.559 -4.676 1.00 0.00 C ATOM 349 CG ASN A 21 10.287 -1.206 -5.375 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.324 -1.747 -5.051 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.287 -0.314 -6.327 1.00 0.00 N ATOM 0 H ASN A 21 7.139 -2.241 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 21 9.937 -3.087 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.380 -2.224 -5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.379 -0.658 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.158 -0.072 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.416 0.141 -6.600 1.00 0.00 H new ATOM 358 N GLU A 22 9.172 -0.494 -1.657 1.00 0.00 N ATOM 359 CA GLU A 22 9.761 0.474 -0.693 1.00 0.00 C ATOM 360 C GLU A 22 10.203 -0.255 0.573 1.00 0.00 C ATOM 361 O GLU A 22 11.206 0.075 1.175 1.00 0.00 O ATOM 362 CB GLU A 22 8.634 1.459 -0.380 1.00 0.00 C ATOM 363 CG GLU A 22 8.364 2.335 -1.604 1.00 0.00 C ATOM 364 CD GLU A 22 8.929 3.734 -1.363 1.00 0.00 C ATOM 365 OE1 GLU A 22 8.826 4.207 -0.244 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.453 4.311 -2.302 1.00 0.00 O ATOM 0 H GLU A 22 8.153 -0.504 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 22 10.640 0.978 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.730 0.917 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.907 2.081 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.822 1.893 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.292 2.392 -1.795 1.00 0.00 H new ATOM 373 N LEU A 23 9.473 -1.257 0.975 1.00 0.00 N ATOM 374 CA LEU A 23 9.870 -2.015 2.189 1.00 0.00 C ATOM 375 C LEU A 23 11.150 -2.798 1.906 1.00 0.00 C ATOM 376 O LEU A 23 12.009 -2.936 2.753 1.00 0.00 O ATOM 377 CB LEU A 23 8.705 -2.966 2.460 1.00 0.00 C ATOM 378 CG LEU A 23 7.756 -2.333 3.479 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.538 -1.950 4.735 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.119 -1.081 2.872 1.00 0.00 C ATOM 0 H LEU A 23 8.622 -1.582 0.516 1.00 0.00 H new ATOM 0 HA LEU A 23 10.068 -1.368 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.172 -3.178 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.079 -3.918 2.838 1.00 0.00 H new ATOM 0 HG LEU A 23 6.976 -3.047 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.862 -1.499 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.992 -2.842 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.319 -1.236 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.442 -0.629 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.899 -0.367 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.561 -1.354 1.976 1.00 0.00 H new ATOM 392 N GLN A 24 11.292 -3.296 0.705 1.00 0.00 N ATOM 393 CA GLN A 24 12.526 -4.051 0.354 1.00 0.00 C ATOM 394 C GLN A 24 13.692 -3.078 0.164 1.00 0.00 C ATOM 395 O GLN A 24 14.815 -3.360 0.533 1.00 0.00 O ATOM 396 CB GLN A 24 12.198 -4.761 -0.960 1.00 0.00 C ATOM 397 CG GLN A 24 11.325 -5.984 -0.673 1.00 0.00 C ATOM 398 CD GLN A 24 11.959 -7.224 -1.306 1.00 0.00 C ATOM 399 OE1 GLN A 24 12.849 -7.113 -2.125 1.00 0.00 O ATOM 400 NE2 GLN A 24 11.537 -8.408 -0.957 1.00 0.00 N ATOM 0 H GLN A 24 10.606 -3.211 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 24 12.819 -4.757 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.679 -4.080 -1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.117 -5.066 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.221 -6.125 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.323 -5.831 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.790 -8.501 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.955 -9.241 -1.372 1.00 0.00 H new ATOM 409 N LYS A 25 13.430 -1.924 -0.395 1.00 0.00 N ATOM 410 CA LYS A 25 14.522 -0.929 -0.589 1.00 0.00 C ATOM 411 C LYS A 25 14.839 -0.246 0.734 1.00 0.00 C ATOM 412 O LYS A 25 15.977 0.050 1.038 1.00 0.00 O ATOM 413 CB LYS A 25 13.970 0.078 -1.608 1.00 0.00 C ATOM 414 CG LYS A 25 13.214 1.196 -0.880 1.00 0.00 C ATOM 415 CD LYS A 25 12.731 2.233 -1.896 1.00 0.00 C ATOM 416 CE LYS A 25 12.548 3.582 -1.199 1.00 0.00 C ATOM 417 NZ LYS A 25 13.534 4.488 -1.851 1.00 0.00 N ATOM 0 H LYS A 25 12.510 -1.631 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 25 15.447 -1.386 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.786 0.501 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.304 -0.427 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.365 0.781 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.864 1.669 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.452 2.326 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.790 1.911 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.530 3.954 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.734 3.502 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.469 5.435 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.494 4.112 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.328 4.550 -2.869 1.00 0.00 H new ATOM 431 N ASP A 26 13.842 -0.002 1.530 1.00 0.00 N ATOM 432 CA ASP A 26 14.087 0.652 2.837 1.00 0.00 C ATOM 433 C ASP A 26 13.571 -0.233 3.975 1.00 0.00 C ATOM 434 O ASP A 26 12.528 0.020 4.547 1.00 0.00 O ATOM 435 CB ASP A 26 13.300 1.962 2.779 1.00 0.00 C ATOM 436 CG ASP A 26 14.264 3.145 2.895 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.363 2.940 3.383 1.00 0.00 O ATOM 438 OD2 ASP A 26 13.887 4.233 2.494 1.00 0.00 O ATOM 0 H ASP A 26 12.867 -0.228 1.331 1.00 0.00 H new ATOM 0 HA ASP A 26 15.148 0.822 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.744 2.023 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.569 1.995 3.587 1.00 0.00 H new ATOM 443 N GLY A 27 14.290 -1.271 4.309 1.00 0.00 N ATOM 444 CA GLY A 27 13.836 -2.170 5.409 1.00 0.00 C ATOM 445 C GLY A 27 13.905 -1.420 6.742 1.00 0.00 C ATOM 446 O GLY A 27 14.576 -1.835 7.665 1.00 0.00 O ATOM 0 H GLY A 27 15.171 -1.535 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.816 -2.506 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.463 -3.061 5.448 1.00 0.00 H new ATOM 450 N ARG A 28 13.215 -0.318 6.848 1.00 0.00 N ATOM 451 CA ARG A 28 13.239 0.461 8.118 1.00 0.00 C ATOM 452 C ARG A 28 12.237 1.616 8.043 1.00 0.00 C ATOM 453 O ARG A 28 12.482 2.697 8.539 1.00 0.00 O ATOM 454 CB ARG A 28 14.667 0.998 8.223 1.00 0.00 C ATOM 455 CG ARG A 28 14.943 1.951 7.058 1.00 0.00 C ATOM 456 CD ARG A 28 15.652 1.191 5.934 1.00 0.00 C ATOM 457 NE ARG A 28 17.096 1.516 6.103 1.00 0.00 N ATOM 458 CZ ARG A 28 17.964 1.112 5.216 1.00 0.00 C ATOM 459 NH1 ARG A 28 18.011 1.682 4.042 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.783 0.136 5.500 1.00 0.00 N ATOM 0 H ARG A 28 12.634 0.077 6.108 1.00 0.00 H new ATOM 0 HA ARG A 28 12.966 -0.144 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.802 1.518 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.379 0.173 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.008 2.375 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.560 2.784 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.477 0.118 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.289 1.504 4.955 1.00 0.00 H new ATOM 0 HE ARG A 28 17.406 2.054 6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.369 2.443 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.689 1.366 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.745 -0.312 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.461 -0.179 4.806 1.00 0.00 H new ATOM 474 N ILE A 29 11.113 1.394 7.418 1.00 0.00 N ATOM 475 CA ILE A 29 10.098 2.479 7.302 1.00 0.00 C ATOM 476 C ILE A 29 8.762 2.024 7.882 1.00 0.00 C ATOM 477 O ILE A 29 8.457 0.849 7.919 1.00 0.00 O ATOM 478 CB ILE A 29 9.974 2.735 5.800 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.199 4.031 5.566 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.231 1.571 5.144 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.193 4.359 4.071 1.00 0.00 C ATOM 0 H ILE A 29 10.854 0.509 6.983 1.00 0.00 H new ATOM 0 HA ILE A 29 10.386 3.376 7.850 1.00 0.00 H new ATOM 0 HB ILE A 29 10.969 2.823 5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.177 3.927 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.656 4.847 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.142 1.753 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.784 0.646 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.236 1.482 5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.640 5.283 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.218 4.481 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.716 3.547 3.522 1.00 0.00 H new ATOM 493 N SER A 30 7.962 2.946 8.343 1.00 0.00 N ATOM 494 CA SER A 30 6.647 2.565 8.929 1.00 0.00 C ATOM 495 C SER A 30 5.524 2.786 7.908 1.00 0.00 C ATOM 496 O SER A 30 5.238 1.934 7.091 1.00 0.00 O ATOM 497 CB SER A 30 6.467 3.488 10.131 1.00 0.00 C ATOM 498 OG SER A 30 6.932 2.832 11.303 1.00 0.00 O ATOM 0 H SER A 30 8.162 3.946 8.339 1.00 0.00 H new ATOM 0 HA SER A 30 6.613 1.513 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.018 4.416 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.417 3.756 10.243 1.00 0.00 H new ATOM 0 HG SER A 30 6.819 3.424 12.076 1.00 0.00 H new ATOM 504 N ASN A 31 4.886 3.928 7.948 1.00 0.00 N ATOM 505 CA ASN A 31 3.784 4.201 6.979 1.00 0.00 C ATOM 506 C ASN A 31 3.869 5.640 6.471 1.00 0.00 C ATOM 507 O ASN A 31 3.769 5.891 5.291 1.00 0.00 O ATOM 508 CB ASN A 31 2.491 3.982 7.774 1.00 0.00 C ATOM 509 CG ASN A 31 2.191 5.216 8.628 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.383 6.045 8.257 1.00 0.00 O ATOM 511 ND2 ASN A 31 2.813 5.376 9.765 1.00 0.00 N ATOM 0 H ASN A 31 5.080 4.681 8.608 1.00 0.00 H new ATOM 0 HA ASN A 31 3.836 3.555 6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.662 3.790 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.590 3.103 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.621 6.196 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.491 4.681 10.077 1.00 0.00 H new ATOM 518 N VAL A 32 4.063 6.588 7.345 1.00 0.00 N ATOM 519 CA VAL A 32 4.166 8.000 6.882 1.00 0.00 C ATOM 520 C VAL A 32 5.072 8.067 5.658 1.00 0.00 C ATOM 521 O VAL A 32 4.633 8.367 4.565 1.00 0.00 O ATOM 522 CB VAL A 32 4.779 8.763 8.056 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.274 10.128 7.575 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.722 8.959 9.145 1.00 0.00 C ATOM 0 H VAL A 32 4.154 6.448 8.351 1.00 0.00 H new ATOM 0 HA VAL A 32 3.202 8.421 6.595 1.00 0.00 H new ATOM 0 HB VAL A 32 5.617 8.195 8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.711 10.672 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.027 9.989 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.437 10.697 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.159 9.503 9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.884 9.527 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.369 7.987 9.489 1.00 0.00 H new ATOM 534 N GLU A 33 6.325 7.742 5.817 1.00 0.00 N ATOM 535 CA GLU A 33 7.237 7.737 4.646 1.00 0.00 C ATOM 536 C GLU A 33 6.738 6.706 3.638 1.00 0.00 C ATOM 537 O GLU A 33 6.935 6.833 2.445 1.00 0.00 O ATOM 538 CB GLU A 33 8.603 7.334 5.202 1.00 0.00 C ATOM 539 CG GLU A 33 9.691 7.683 4.186 1.00 0.00 C ATOM 540 CD GLU A 33 10.149 9.126 4.403 1.00 0.00 C ATOM 541 OE1 GLU A 33 10.474 9.460 5.531 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.168 9.872 3.438 1.00 0.00 O ATOM 0 H GLU A 33 6.753 7.481 6.705 1.00 0.00 H new ATOM 0 HA GLU A 33 7.286 8.701 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.791 7.850 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.620 6.265 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.536 7.002 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.310 7.560 3.172 1.00 0.00 H new ATOM 549 N LEU A 34 6.058 5.696 4.115 1.00 0.00 N ATOM 550 CA LEU A 34 5.501 4.665 3.201 1.00 0.00 C ATOM 551 C LEU A 34 4.297 5.243 2.457 1.00 0.00 C ATOM 552 O LEU A 34 3.845 4.702 1.471 1.00 0.00 O ATOM 553 CB LEU A 34 5.066 3.520 4.115 1.00 0.00 C ATOM 554 CG LEU A 34 5.630 2.200 3.584 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.231 1.061 4.523 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.065 1.930 2.188 1.00 0.00 C ATOM 0 H LEU A 34 5.866 5.544 5.105 1.00 0.00 H new ATOM 0 HA LEU A 34 6.220 4.332 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.420 3.697 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.978 3.471 4.161 1.00 0.00 H new ATOM 0 HG LEU A 34 6.717 2.264 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.632 0.121 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.632 1.253 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.144 0.997 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.466 0.990 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.978 1.866 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.348 2.742 1.518 1.00 0.00 H new ATOM 568 N SER A 35 3.771 6.337 2.943 1.00 0.00 N ATOM 569 CA SER A 35 2.591 6.968 2.287 1.00 0.00 C ATOM 570 C SER A 35 3.039 7.966 1.209 1.00 0.00 C ATOM 571 O SER A 35 2.403 8.118 0.187 1.00 0.00 O ATOM 572 CB SER A 35 1.871 7.700 3.411 1.00 0.00 C ATOM 573 OG SER A 35 2.466 8.977 3.600 1.00 0.00 O ATOM 0 H SER A 35 4.112 6.823 3.773 1.00 0.00 H new ATOM 0 HA SER A 35 1.956 6.233 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.814 7.811 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.928 7.120 4.332 1.00 0.00 H new ATOM 0 HG SER A 35 3.144 8.921 4.305 1.00 0.00 H new ATOM 579 N LYS A 36 4.116 8.669 1.449 1.00 0.00 N ATOM 580 CA LYS A 36 4.585 9.685 0.458 1.00 0.00 C ATOM 581 C LYS A 36 5.432 9.036 -0.642 1.00 0.00 C ATOM 582 O LYS A 36 5.207 9.250 -1.816 1.00 0.00 O ATOM 583 CB LYS A 36 5.434 10.660 1.273 1.00 0.00 C ATOM 584 CG LYS A 36 4.652 11.955 1.498 1.00 0.00 C ATOM 585 CD LYS A 36 5.273 12.728 2.664 1.00 0.00 C ATOM 586 CE LYS A 36 4.341 12.658 3.876 1.00 0.00 C ATOM 587 NZ LYS A 36 4.094 14.078 4.251 1.00 0.00 N ATOM 0 H LYS A 36 4.691 8.584 2.287 1.00 0.00 H new ATOM 0 HA LYS A 36 3.750 10.174 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.701 10.213 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.366 10.872 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.668 12.564 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.607 11.729 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.247 12.307 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.439 13.767 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.410 12.147 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.800 12.107 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.462 14.114 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.997 14.537 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.650 14.576 3.453 1.00 0.00 H new ATOM 601 N ARG A 37 6.409 8.254 -0.274 1.00 0.00 N ATOM 602 CA ARG A 37 7.271 7.608 -1.305 1.00 0.00 C ATOM 603 C ARG A 37 6.414 6.829 -2.290 1.00 0.00 C ATOM 604 O ARG A 37 6.845 6.486 -3.373 1.00 0.00 O ATOM 605 CB ARG A 37 8.182 6.663 -0.526 1.00 0.00 C ATOM 606 CG ARG A 37 9.099 7.474 0.389 1.00 0.00 C ATOM 607 CD ARG A 37 10.300 6.616 0.786 1.00 0.00 C ATOM 608 NE ARG A 37 11.356 6.952 -0.208 1.00 0.00 N ATOM 609 CZ ARG A 37 12.489 7.461 0.190 1.00 0.00 C ATOM 610 NH1 ARG A 37 13.027 7.059 1.308 1.00 0.00 N ATOM 611 NH2 ARG A 37 13.085 8.371 -0.531 1.00 0.00 N ATOM 0 H ARG A 37 6.648 8.034 0.693 1.00 0.00 H new ATOM 0 HA ARG A 37 7.840 8.337 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.584 5.969 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.777 6.064 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.435 8.377 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.555 7.793 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.627 6.840 1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.054 5.555 0.757 1.00 0.00 H new ATOM 0 HE ARG A 37 11.193 6.784 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.562 6.347 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.913 7.457 1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.665 8.684 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.971 8.769 -0.219 1.00 0.00 H new ATOM 625 N VAL A 38 5.205 6.555 -1.926 1.00 0.00 N ATOM 626 CA VAL A 38 4.303 5.804 -2.837 1.00 0.00 C ATOM 627 C VAL A 38 3.353 6.770 -3.541 1.00 0.00 C ATOM 628 O VAL A 38 2.826 6.485 -4.599 1.00 0.00 O ATOM 629 CB VAL A 38 3.533 4.847 -1.933 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.479 3.761 -1.414 1.00 0.00 C ATOM 631 CG2 VAL A 38 2.958 5.626 -0.755 1.00 0.00 C ATOM 0 H VAL A 38 4.794 6.819 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 38 4.847 5.270 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 38 2.724 4.382 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.928 3.077 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.895 3.208 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.288 4.223 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.406 4.947 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.770 6.087 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.286 6.401 -1.124 1.00 0.00 H new ATOM 641 N GLY A 39 3.155 7.924 -2.974 1.00 0.00 N ATOM 642 CA GLY A 39 2.265 8.934 -3.618 1.00 0.00 C ATOM 643 C GLY A 39 0.844 8.841 -3.044 1.00 0.00 C ATOM 644 O GLY A 39 -0.129 8.990 -3.758 1.00 0.00 O ATOM 0 H GLY A 39 3.571 8.215 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.664 9.935 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.240 8.771 -4.695 1.00 0.00 H new ATOM 648 N LEU A 40 0.709 8.619 -1.763 1.00 0.00 N ATOM 649 CA LEU A 40 -0.662 8.546 -1.162 1.00 0.00 C ATOM 650 C LEU A 40 -0.628 8.940 0.308 1.00 0.00 C ATOM 651 O LEU A 40 0.414 8.982 0.928 1.00 0.00 O ATOM 652 CB LEU A 40 -1.091 7.084 -1.286 1.00 0.00 C ATOM 653 CG LEU A 40 0.072 6.173 -0.918 1.00 0.00 C ATOM 654 CD1 LEU A 40 -0.401 5.136 0.107 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.573 5.458 -2.173 1.00 0.00 C ATOM 0 H LEU A 40 1.480 8.486 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.349 9.225 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.940 6.888 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.419 6.877 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 40 0.881 6.766 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.430 4.482 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.762 5.646 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.208 4.542 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.406 4.805 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.235 4.863 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.905 6.195 -2.904 1.00 0.00 H new ATOM 667 N SER A 41 -1.771 9.178 0.886 1.00 0.00 N ATOM 668 CA SER A 41 -1.808 9.507 2.331 1.00 0.00 C ATOM 669 C SER A 41 -1.424 8.278 3.122 1.00 0.00 C ATOM 670 O SER A 41 -1.556 7.169 2.646 1.00 0.00 O ATOM 671 CB SER A 41 -3.250 9.898 2.622 1.00 0.00 C ATOM 672 OG SER A 41 -3.363 11.315 2.644 1.00 0.00 O ATOM 0 H SER A 41 -2.678 9.158 0.419 1.00 0.00 H new ATOM 0 HA SER A 41 -1.120 10.309 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.911 9.482 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.564 9.483 3.580 1.00 0.00 H new ATOM 0 HG SER A 41 -4.292 11.566 2.830 1.00 0.00 H new ATOM 678 N PRO A 42 -0.933 8.506 4.289 1.00 0.00 N ATOM 679 CA PRO A 42 -0.494 7.395 5.128 1.00 0.00 C ATOM 680 C PRO A 42 -1.694 6.645 5.704 1.00 0.00 C ATOM 681 O PRO A 42 -1.743 5.432 5.674 1.00 0.00 O ATOM 682 CB PRO A 42 0.316 8.067 6.224 1.00 0.00 C ATOM 683 CG PRO A 42 -0.217 9.466 6.300 1.00 0.00 C ATOM 684 CD PRO A 42 -0.746 9.810 4.929 1.00 0.00 C ATOM 0 HA PRO A 42 0.084 6.650 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.199 7.548 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.380 8.063 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.007 9.538 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.567 10.162 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.683 10.364 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.043 10.431 4.373 1.00 0.00 H new ATOM 692 N THR A 43 -2.670 7.348 6.212 1.00 0.00 N ATOM 693 CA THR A 43 -3.865 6.652 6.766 1.00 0.00 C ATOM 694 C THR A 43 -4.237 5.469 5.862 1.00 0.00 C ATOM 695 O THR A 43 -4.292 4.341 6.309 1.00 0.00 O ATOM 696 CB THR A 43 -4.975 7.715 6.781 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.975 8.376 8.038 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.337 7.050 6.555 1.00 0.00 C ATOM 0 H THR A 43 -2.692 8.366 6.267 1.00 0.00 H new ATOM 0 HA THR A 43 -3.695 6.245 7.763 1.00 0.00 H new ATOM 0 HB THR A 43 -4.793 8.437 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.681 9.056 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.119 7.809 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.339 6.543 5.590 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.524 6.325 7.347 1.00 0.00 H new ATOM 706 N PRO A 44 -4.444 5.767 4.605 1.00 0.00 N ATOM 707 CA PRO A 44 -4.769 4.713 3.626 1.00 0.00 C ATOM 708 C PRO A 44 -3.510 3.921 3.272 1.00 0.00 C ATOM 709 O PRO A 44 -3.547 2.713 3.146 1.00 0.00 O ATOM 710 CB PRO A 44 -5.276 5.484 2.415 1.00 0.00 C ATOM 711 CG PRO A 44 -4.643 6.841 2.527 1.00 0.00 C ATOM 712 CD PRO A 44 -4.406 7.101 3.997 1.00 0.00 C ATOM 0 HA PRO A 44 -5.497 3.993 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.991 4.991 1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.364 5.554 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.705 6.875 1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.293 7.605 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.446 7.589 4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.173 7.752 4.416 1.00 0.00 H new ATOM 720 N CYS A 45 -2.386 4.585 3.130 1.00 0.00 N ATOM 721 CA CYS A 45 -1.131 3.843 2.812 1.00 0.00 C ATOM 722 C CYS A 45 -1.116 2.551 3.603 1.00 0.00 C ATOM 723 O CYS A 45 -0.901 1.481 3.071 1.00 0.00 O ATOM 724 CB CYS A 45 0.006 4.757 3.263 1.00 0.00 C ATOM 725 SG CYS A 45 1.593 3.974 2.877 1.00 0.00 S ATOM 0 H CYS A 45 -2.287 5.596 3.220 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.042 3.594 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.068 5.722 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.068 4.947 4.334 1.00 0.00 H new ATOM 0 HG CYS A 45 2.126 4.559 1.846 1.00 0.00 H new ATOM 731 N LEU A 46 -1.410 2.637 4.865 1.00 0.00 N ATOM 732 CA LEU A 46 -1.489 1.416 5.687 1.00 0.00 C ATOM 733 C LEU A 46 -2.612 0.548 5.154 1.00 0.00 C ATOM 734 O LEU A 46 -2.429 -0.613 4.868 1.00 0.00 O ATOM 735 CB LEU A 46 -1.804 1.913 7.090 1.00 0.00 C ATOM 736 CG LEU A 46 -0.655 2.796 7.572 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.165 4.215 7.826 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.076 2.220 8.864 1.00 0.00 C ATOM 0 H LEU A 46 -1.599 3.508 5.361 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.576 0.821 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.737 2.476 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.941 1.070 7.767 1.00 0.00 H new ATOM 0 HG LEU A 46 0.122 2.826 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.342 4.841 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.573 4.626 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.945 4.191 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.744 2.850 9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.853 2.187 9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.294 1.212 8.679 1.00 0.00 H new ATOM 750 N GLU A 47 -3.768 1.116 4.963 1.00 0.00 N ATOM 751 CA GLU A 47 -4.883 0.325 4.390 1.00 0.00 C ATOM 752 C GLU A 47 -4.367 -0.447 3.177 1.00 0.00 C ATOM 753 O GLU A 47 -4.712 -1.592 2.957 1.00 0.00 O ATOM 754 CB GLU A 47 -5.939 1.349 3.974 1.00 0.00 C ATOM 755 CG GLU A 47 -6.888 1.605 5.146 1.00 0.00 C ATOM 756 CD GLU A 47 -7.817 2.773 4.805 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.702 2.580 3.987 1.00 0.00 O ATOM 758 OE2 GLU A 47 -7.628 3.838 5.368 1.00 0.00 O ATOM 0 H GLU A 47 -3.986 2.089 5.178 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.296 -0.398 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.459 2.279 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.498 0.982 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.474 0.710 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.318 1.831 6.047 1.00 0.00 H new ATOM 765 N ARG A 48 -3.500 0.167 2.407 1.00 0.00 N ATOM 766 CA ARG A 48 -2.912 -0.535 1.232 1.00 0.00 C ATOM 767 C ARG A 48 -1.950 -1.616 1.725 1.00 0.00 C ATOM 768 O ARG A 48 -2.122 -2.794 1.459 1.00 0.00 O ATOM 769 CB ARG A 48 -2.158 0.550 0.455 1.00 0.00 C ATOM 770 CG ARG A 48 -3.083 1.749 0.224 1.00 0.00 C ATOM 771 CD ARG A 48 -3.776 1.606 -1.134 1.00 0.00 C ATOM 772 NE ARG A 48 -5.231 1.580 -0.819 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.876 0.445 -0.800 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.617 -0.469 -1.696 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.779 0.222 0.116 1.00 0.00 N ATOM 0 H ARG A 48 -3.177 1.125 2.545 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.662 -1.022 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.273 0.861 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.812 0.155 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.826 1.807 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.510 2.675 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.529 2.438 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.465 0.693 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.724 2.450 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.910 -0.296 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.121 -1.356 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.981 0.935 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.283 -0.665 0.130 1.00 0.00 H new ATOM 789 N VAL A 49 -0.959 -1.231 2.481 1.00 0.00 N ATOM 790 CA VAL A 49 -0.011 -2.233 3.036 1.00 0.00 C ATOM 791 C VAL A 49 -0.799 -3.309 3.785 1.00 0.00 C ATOM 792 O VAL A 49 -0.632 -4.490 3.559 1.00 0.00 O ATOM 793 CB VAL A 49 0.885 -1.436 3.997 1.00 0.00 C ATOM 794 CG1 VAL A 49 1.121 -2.240 5.281 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.228 -1.155 3.323 1.00 0.00 C ATOM 0 H VAL A 49 -0.766 -0.263 2.738 1.00 0.00 H new ATOM 0 HA VAL A 49 0.577 -2.738 2.270 1.00 0.00 H new ATOM 0 HB VAL A 49 0.393 -0.496 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.757 -1.668 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.165 -2.441 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.609 -3.183 5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.865 -0.590 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.713 -2.098 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.065 -0.577 2.414 1.00 0.00 H new ATOM 805 N ARG A 50 -1.674 -2.902 4.665 1.00 0.00 N ATOM 806 CA ARG A 50 -2.492 -3.891 5.416 1.00 0.00 C ATOM 807 C ARG A 50 -2.952 -4.989 4.474 1.00 0.00 C ATOM 808 O ARG A 50 -2.711 -6.158 4.700 1.00 0.00 O ATOM 809 CB ARG A 50 -3.686 -3.097 5.943 1.00 0.00 C ATOM 810 CG ARG A 50 -3.192 -2.006 6.896 1.00 0.00 C ATOM 811 CD ARG A 50 -3.115 -2.566 8.312 1.00 0.00 C ATOM 812 NE ARG A 50 -3.177 -1.372 9.199 1.00 0.00 N ATOM 813 CZ ARG A 50 -2.788 -1.459 10.442 1.00 0.00 C ATOM 814 NH1 ARG A 50 -2.488 -2.622 10.954 1.00 0.00 N ATOM 815 NH2 ARG A 50 -2.697 -0.382 11.174 1.00 0.00 N ATOM 0 H ARG A 50 -1.856 -1.925 4.895 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.939 -4.369 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.234 -2.650 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.378 -3.761 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.212 -1.649 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.867 -1.150 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.940 -3.250 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.192 -3.125 8.466 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.524 -0.485 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.557 -3.464 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.184 -2.689 11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.930 0.527 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.393 -0.450 12.145 1.00 0.00 H new ATOM 829 N ARG A 51 -3.576 -4.623 3.397 1.00 0.00 N ATOM 830 CA ARG A 51 -4.007 -5.649 2.416 1.00 0.00 C ATOM 831 C ARG A 51 -2.849 -6.604 2.167 1.00 0.00 C ATOM 832 O ARG A 51 -3.010 -7.809 2.162 1.00 0.00 O ATOM 833 CB ARG A 51 -4.349 -4.872 1.144 1.00 0.00 C ATOM 834 CG ARG A 51 -4.573 -5.856 -0.008 1.00 0.00 C ATOM 835 CD ARG A 51 -3.257 -6.074 -0.759 1.00 0.00 C ATOM 836 NE ARG A 51 -3.562 -5.723 -2.172 1.00 0.00 N ATOM 837 CZ ARG A 51 -3.542 -6.646 -3.092 1.00 0.00 C ATOM 838 NH1 ARG A 51 -2.440 -7.304 -3.332 1.00 0.00 N ATOM 839 NH2 ARG A 51 -4.623 -6.914 -3.774 1.00 0.00 N ATOM 0 H ARG A 51 -3.807 -3.660 3.153 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.858 -6.237 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.244 -4.270 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.541 -4.183 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.945 -6.805 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.332 -5.469 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.464 -5.444 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.919 -7.107 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.787 -4.760 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.595 -7.096 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.424 -8.026 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.484 -6.401 -3.587 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.606 -7.637 -4.494 1.00 0.00 H new ATOM 853 N LEU A 52 -1.667 -6.073 2.000 1.00 0.00 N ATOM 854 CA LEU A 52 -0.483 -6.947 1.796 1.00 0.00 C ATOM 855 C LEU A 52 -0.160 -7.682 3.098 1.00 0.00 C ATOM 856 O LEU A 52 0.407 -8.756 3.096 1.00 0.00 O ATOM 857 CB LEU A 52 0.653 -5.997 1.416 1.00 0.00 C ATOM 858 CG LEU A 52 0.414 -5.453 0.007 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.533 -4.478 -0.361 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.402 -6.614 -0.992 1.00 0.00 C ATOM 0 H LEU A 52 -1.474 -5.072 1.997 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.646 -7.703 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.708 -5.175 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.608 -6.520 1.458 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.544 -4.935 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.362 -4.091 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.544 -3.652 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.492 -4.996 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.232 -6.228 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.361 -7.132 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.395 -7.310 -0.731 1.00 0.00 H new ATOM 872 N GLU A 53 -0.533 -7.111 4.214 1.00 0.00 N ATOM 873 CA GLU A 53 -0.265 -7.771 5.524 1.00 0.00 C ATOM 874 C GLU A 53 -1.167 -8.996 5.691 1.00 0.00 C ATOM 875 O GLU A 53 -0.706 -10.119 5.723 1.00 0.00 O ATOM 876 CB GLU A 53 -0.610 -6.713 6.573 1.00 0.00 C ATOM 877 CG GLU A 53 0.569 -6.535 7.532 1.00 0.00 C ATOM 878 CD GLU A 53 0.106 -6.795 8.966 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.121 -7.948 9.294 1.00 0.00 O ATOM 880 OE2 GLU A 53 -0.012 -5.837 9.713 1.00 0.00 O ATOM 0 H GLU A 53 -1.013 -6.213 4.273 1.00 0.00 H new ATOM 0 HA GLU A 53 0.765 -8.117 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.841 -5.766 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.500 -7.012 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.373 -7.222 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.972 -5.526 7.446 1.00 0.00 H new ATOM 887 N ARG A 54 -2.451 -8.785 5.799 1.00 0.00 N ATOM 888 CA ARG A 54 -3.384 -9.936 5.963 1.00 0.00 C ATOM 889 C ARG A 54 -3.211 -10.925 4.808 1.00 0.00 C ATOM 890 O ARG A 54 -3.509 -12.096 4.930 1.00 0.00 O ATOM 891 CB ARG A 54 -4.781 -9.317 5.932 1.00 0.00 C ATOM 892 CG ARG A 54 -4.942 -8.358 7.112 1.00 0.00 C ATOM 893 CD ARG A 54 -6.016 -8.893 8.060 1.00 0.00 C ATOM 894 NE ARG A 54 -5.849 -8.106 9.313 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.392 -8.524 10.422 1.00 0.00 C ATOM 896 NH1 ARG A 54 -5.814 -9.463 11.119 1.00 0.00 N ATOM 897 NH2 ARG A 54 -7.512 -7.999 10.839 1.00 0.00 N ATOM 0 H ARG A 54 -2.894 -7.866 5.781 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.202 -10.489 6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.933 -8.784 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.538 -10.100 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.995 -8.253 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.219 -7.367 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.014 -8.761 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.885 -9.960 8.243 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.310 -7.240 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.936 -9.871 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.240 -9.789 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.962 -7.262 10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.937 -8.326 11.707 1.00 0.00 H new ATOM 911 N GLN A 55 -2.731 -10.461 3.686 1.00 0.00 N ATOM 912 CA GLN A 55 -2.539 -11.376 2.524 1.00 0.00 C ATOM 913 C GLN A 55 -1.253 -12.188 2.696 1.00 0.00 C ATOM 914 O GLN A 55 -0.858 -12.936 1.825 1.00 0.00 O ATOM 915 CB GLN A 55 -2.432 -10.453 1.311 1.00 0.00 C ATOM 916 CG GLN A 55 -3.834 -10.128 0.794 1.00 0.00 C ATOM 917 CD GLN A 55 -4.407 -11.348 0.070 1.00 0.00 C ATOM 918 OE1 GLN A 55 -4.625 -12.379 0.674 1.00 0.00 O ATOM 919 NE2 GLN A 55 -4.659 -11.274 -1.208 1.00 0.00 N ATOM 0 H GLN A 55 -2.464 -9.490 3.524 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.354 -12.093 2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.911 -9.535 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.845 -10.931 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.483 -9.846 1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.795 -9.275 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.476 -10.408 -1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.039 -12.082 -1.700 1.00 0.00 H new ATOM 928 N GLY A 56 -0.604 -12.051 3.818 1.00 0.00 N ATOM 929 CA GLY A 56 0.651 -12.819 4.053 1.00 0.00 C ATOM 930 C GLY A 56 1.752 -12.307 3.121 1.00 0.00 C ATOM 931 O GLY A 56 2.427 -13.074 2.464 1.00 0.00 O ATOM 0 H GLY A 56 -0.888 -11.440 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.963 -12.715 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.477 -13.881 3.877 1.00 0.00 H new ATOM 935 N PHE A 57 1.941 -11.017 3.061 1.00 0.00 N ATOM 936 CA PHE A 57 3.004 -10.461 2.172 1.00 0.00 C ATOM 937 C PHE A 57 3.820 -9.403 2.917 1.00 0.00 C ATOM 938 O PHE A 57 4.640 -8.719 2.339 1.00 0.00 O ATOM 939 CB PHE A 57 2.253 -9.832 0.998 1.00 0.00 C ATOM 940 CG PHE A 57 1.537 -10.910 0.218 1.00 0.00 C ATOM 941 CD1 PHE A 57 2.116 -12.178 0.078 1.00 0.00 C ATOM 942 CD2 PHE A 57 0.295 -10.640 -0.368 1.00 0.00 C ATOM 943 CE1 PHE A 57 1.452 -13.174 -0.647 1.00 0.00 C ATOM 944 CE2 PHE A 57 -0.369 -11.637 -1.093 1.00 0.00 C ATOM 945 CZ PHE A 57 0.209 -12.904 -1.232 1.00 0.00 C ATOM 0 H PHE A 57 1.408 -10.325 3.587 1.00 0.00 H new ATOM 0 HA PHE A 57 3.706 -11.227 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.536 -9.097 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.950 -9.302 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.075 -12.387 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.151 -9.662 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.899 -14.151 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.327 -11.428 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.304 -13.673 -1.790 1.00 0.00 H new ATOM 955 N ILE A 58 3.607 -9.270 4.196 1.00 0.00 N ATOM 956 CA ILE A 58 4.378 -8.261 4.978 1.00 0.00 C ATOM 957 C ILE A 58 4.956 -8.899 6.242 1.00 0.00 C ATOM 958 O ILE A 58 4.947 -8.310 7.303 1.00 0.00 O ATOM 959 CB ILE A 58 3.370 -7.175 5.336 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.550 -6.806 4.096 1.00 0.00 C ATOM 961 CG2 ILE A 58 4.119 -5.940 5.835 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.461 -6.151 3.055 1.00 0.00 C ATOM 0 H ILE A 58 2.933 -9.815 4.734 1.00 0.00 H new ATOM 0 HA ILE A 58 5.220 -7.860 4.413 1.00 0.00 H new ATOM 0 HB ILE A 58 2.701 -7.540 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.084 -7.698 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.745 -6.124 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.403 -5.160 6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.704 -6.201 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.785 -5.577 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.876 -5.889 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.906 -5.250 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.251 -6.847 2.773 1.00 0.00 H new ATOM 974 N GLN A 59 5.475 -10.091 6.131 1.00 0.00 N ATOM 975 CA GLN A 59 6.073 -10.757 7.322 1.00 0.00 C ATOM 976 C GLN A 59 7.477 -10.207 7.571 1.00 0.00 C ATOM 977 O GLN A 59 8.134 -10.558 8.530 1.00 0.00 O ATOM 978 CB GLN A 59 6.134 -12.241 6.957 1.00 0.00 C ATOM 979 CG GLN A 59 7.074 -12.435 5.766 1.00 0.00 C ATOM 980 CD GLN A 59 7.290 -13.929 5.523 1.00 0.00 C ATOM 981 OE1 GLN A 59 7.146 -14.730 6.425 1.00 0.00 O ATOM 982 NE2 GLN A 59 7.633 -14.342 4.334 1.00 0.00 N ATOM 0 H GLN A 59 5.511 -10.632 5.267 1.00 0.00 H new ATOM 0 HA GLN A 59 5.495 -10.587 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.485 -12.822 7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.137 -12.607 6.711 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.651 -11.969 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.029 -11.946 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.754 -13.670 3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.780 -15.337 4.162 1.00 0.00 H new ATOM 991 N GLY A 60 7.935 -9.341 6.713 1.00 0.00 N ATOM 992 CA GLY A 60 9.292 -8.753 6.888 1.00 0.00 C ATOM 993 C GLY A 60 9.272 -7.296 6.424 1.00 0.00 C ATOM 994 O GLY A 60 9.898 -6.438 7.014 1.00 0.00 O ATOM 0 H GLY A 60 7.425 -9.013 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.594 -8.810 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.024 -9.320 6.313 1.00 0.00 H new ATOM 998 N TYR A 61 8.547 -7.009 5.375 1.00 0.00 N ATOM 999 CA TYR A 61 8.472 -5.606 4.873 1.00 0.00 C ATOM 1000 C TYR A 61 7.994 -4.673 5.987 1.00 0.00 C ATOM 1001 O TYR A 61 8.649 -4.518 6.999 1.00 0.00 O ATOM 1002 CB TYR A 61 7.453 -5.655 3.731 1.00 0.00 C ATOM 1003 CG TYR A 61 7.826 -6.754 2.764 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.157 -7.178 2.660 1.00 0.00 C ATOM 1005 CD2 TYR A 61 6.839 -7.349 1.969 1.00 0.00 C ATOM 1006 CE1 TYR A 61 9.500 -8.196 1.762 1.00 0.00 C ATOM 1007 CE2 TYR A 61 7.181 -8.366 1.071 1.00 0.00 C ATOM 1008 CZ TYR A 61 8.512 -8.791 0.967 1.00 0.00 C ATOM 1009 OH TYR A 61 8.849 -9.794 0.081 1.00 0.00 O ATOM 0 H TYR A 61 8.002 -7.688 4.843 1.00 0.00 H new ATOM 0 HA TYR A 61 9.439 -5.228 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.454 -5.831 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.425 -4.696 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.919 -6.719 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.813 -7.023 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.526 -8.523 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.419 -8.824 0.458 1.00 0.00 H new ATOM 0 HH TYR A 61 8.045 -10.097 -0.391 1.00 0.00 H new ATOM 1019 N THR A 62 6.859 -4.055 5.823 1.00 0.00 N ATOM 1020 CA THR A 62 6.361 -3.149 6.888 1.00 0.00 C ATOM 1021 C THR A 62 5.534 -3.935 7.890 1.00 0.00 C ATOM 1022 O THR A 62 4.662 -3.398 8.545 1.00 0.00 O ATOM 1023 CB THR A 62 5.494 -2.119 6.176 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.127 -1.096 7.090 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.235 -2.794 5.632 1.00 0.00 C ATOM 0 H THR A 62 6.259 -4.138 5.002 1.00 0.00 H new ATOM 0 HA THR A 62 7.175 -2.676 7.437 1.00 0.00 H new ATOM 0 HB THR A 62 6.055 -1.684 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.446 -0.521 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.617 -2.055 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.517 -3.577 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.672 -3.232 6.456 1.00 0.00 H new ATOM 1033 N ALA A 63 5.796 -5.208 8.012 1.00 0.00 N ATOM 1034 CA ALA A 63 5.025 -6.042 8.978 1.00 0.00 C ATOM 1035 C ALA A 63 4.682 -5.208 10.208 1.00 0.00 C ATOM 1036 O ALA A 63 3.632 -5.354 10.802 1.00 0.00 O ATOM 1037 CB ALA A 63 5.965 -7.188 9.351 1.00 0.00 C ATOM 0 H ALA A 63 6.512 -5.707 7.484 1.00 0.00 H new ATOM 0 HA ALA A 63 4.087 -6.410 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.469 -7.849 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.227 -7.750 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.871 -6.783 9.803 1.00 0.00 H new ATOM 1043 N LEU A 64 5.551 -4.304 10.571 1.00 0.00 N ATOM 1044 CA LEU A 64 5.268 -3.425 11.734 1.00 0.00 C ATOM 1045 C LEU A 64 3.977 -2.648 11.482 1.00 0.00 C ATOM 1046 O LEU A 64 2.903 -3.212 11.455 1.00 0.00 O ATOM 1047 CB LEU A 64 6.472 -2.474 11.818 1.00 0.00 C ATOM 1048 CG LEU A 64 6.842 -1.974 10.416 1.00 0.00 C ATOM 1049 CD1 LEU A 64 7.054 -0.459 10.458 1.00 0.00 C ATOM 1050 CD2 LEU A 64 8.134 -2.655 9.958 1.00 0.00 C ATOM 0 H LEU A 64 6.445 -4.138 10.109 1.00 0.00 H new ATOM 0 HA LEU A 64 5.134 -3.981 12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.234 -1.629 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.322 -2.988 12.266 1.00 0.00 H new ATOM 0 HG LEU A 64 6.038 -2.212 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.317 -0.101 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.136 0.028 10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.860 -0.224 11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.399 -2.301 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.938 -2.415 10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.987 -3.735 9.932 1.00 0.00 H new ATOM 1062 N LEU A 65 4.075 -1.362 11.280 1.00 0.00 N ATOM 1063 CA LEU A 65 2.855 -0.547 11.009 1.00 0.00 C ATOM 1064 C LEU A 65 1.674 -1.057 11.845 1.00 0.00 C ATOM 1065 O LEU A 65 0.529 -0.953 11.449 1.00 0.00 O ATOM 1066 CB LEU A 65 2.589 -0.725 9.502 1.00 0.00 C ATOM 1067 CG LEU A 65 1.612 -1.887 9.264 1.00 0.00 C ATOM 1068 CD1 LEU A 65 0.232 -1.330 8.913 1.00 0.00 C ATOM 1069 CD2 LEU A 65 2.120 -2.749 8.108 1.00 0.00 C ATOM 0 H LEU A 65 4.950 -0.838 11.291 1.00 0.00 H new ATOM 0 HA LEU A 65 2.987 0.502 11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.177 0.195 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.527 -0.917 8.981 1.00 0.00 H new ATOM 0 HG LEU A 65 1.541 -2.492 10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.461 -2.154 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.131 -0.713 9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.303 -0.725 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.428 -3.574 7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.190 -2.142 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.104 -3.146 8.356 1.00 0.00 H new ATOM 1081 N ASN A 66 1.945 -1.617 12.990 1.00 0.00 N ATOM 1082 CA ASN A 66 0.841 -2.143 13.840 1.00 0.00 C ATOM 1083 C ASN A 66 1.239 -2.093 15.318 1.00 0.00 C ATOM 1084 O ASN A 66 2.428 -2.123 15.593 1.00 0.00 O ATOM 1085 CB ASN A 66 0.655 -3.593 13.384 1.00 0.00 C ATOM 1086 CG ASN A 66 -0.820 -3.977 13.501 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -1.398 -4.509 12.574 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -1.459 -3.731 14.612 1.00 0.00 N ATOM 1089 OXT ASN A 66 0.348 -2.026 16.149 1.00 0.00 O ATOM 0 H ASN A 66 2.883 -1.733 13.374 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.074 -1.559 13.740 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.991 -3.708 12.354 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.265 -4.259 13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.443 -3.985 14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.975 -3.284 15.391 1.00 0.00 H new TER 1096 ASN A 66