USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O6 : rot 13:sc= 0.212 USER MOD Set 1.2: A 185 GAL O2 : rot 180:sc= -2.72! USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 SER OG : rot 55:sc= 0.00652 USER MOD Set 3.1: A 83 HIS : no HD1:sc= -7.59! C(o=-7.5!,f=-6.7!) USER MOD Set 3.2: A 85 SER OG : rot -26:sc= 0.139! USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0778 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 73:sc= -0.549! USER MOD Single : A 13 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.27! C(o=-4.3!,f=-6.9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 155:sc= -0.724 (180deg=-3.16!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00315 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -130:sc= -0.0286 (180deg=-0.401) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.08! K(o=-4.1!,f=-2.2) USER MOD Single : A 54 THR OG1 : rot -54:sc= 0.15 USER MOD Single : A 55 SER OG : rot 59:sc= 0.776 USER MOD Single : A 57 SER OG : rot -49:sc= -0.526! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.088 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 71 MET CE :methyl -139:sc= -3.21! (180deg=-3.71!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -20.1! C(o=-20!,f=-28!) USER MOD Single : A 80 THR OG1 : rot 84:sc= -2.75! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.82! K(o=-2.8!,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= 0.802 (180deg=0.482) USER MOD Single : A 178 NAG O3 : rot 131:sc= 0.151 USER MOD Single : A 178 NAG O6 : rot -38:sc= 0.304 USER MOD Single : A 179 NAG O3 : rot 141:sc= 0.327 USER MOD Single : A 179 NAG O6 : rot 180:sc= -0.861 USER MOD Single : A 180 BMA O2 : rot 141:sc= 0.0695 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O3 : rot -13:sc= 1.26 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 32:sc=0.000988 USER MOD Single : A 182 MAN O3 : rot 30:sc= 0.0758 USER MOD Single : A 182 MAN O4 : rot -151:sc= 1.15 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.911 USER MOD Single : A 183 NAG O3 : rot 128:sc= 0.554 USER MOD Single : A 183 NAG O6 : rot -29:sc= 0.0466 USER MOD Single : A 184 NAG O3 : rot 4:sc= -0.205 USER MOD Single : A 185 GAL O3 : rot 93:sc= 0.0837 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0588 USER MOD Single : A 185 GAL O6 : rot -25:sc= 0.0565 USER MOD Single : A 186 GAL O2 : rot 28:sc= -2.77! USER MOD Single : A 186 GAL O3 : rot 91:sc= 0.0822 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0882 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.981 -17.437 -18.004 1.00 0.00 N ATOM 2 CA ALA A 1 0.501 -17.337 -17.993 1.00 0.00 C ATOM 3 C ALA A 1 1.016 -17.012 -16.594 1.00 0.00 C ATOM 4 O ALA A 1 0.265 -16.552 -15.734 1.00 0.00 O ATOM 5 CB ALA A 1 0.967 -16.282 -18.989 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.261 -18.426 -18.164 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.357 -17.115 -17.090 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.364 -16.841 -18.766 1.00 0.00 H new ATOM 0 HA ALA A 1 0.910 -18.303 -18.288 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.055 -16.219 -18.970 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.636 -16.556 -19.991 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.543 -15.315 -18.719 1.00 0.00 H new ATOM 13 N PRO A 2 2.314 -17.249 -16.354 1.00 0.00 N ATOM 14 CA PRO A 2 2.941 -16.983 -15.055 1.00 0.00 C ATOM 15 C PRO A 2 2.677 -15.563 -14.567 1.00 0.00 C ATOM 16 O PRO A 2 1.986 -15.358 -13.569 1.00 0.00 O ATOM 17 CB PRO A 2 4.432 -17.189 -15.336 1.00 0.00 C ATOM 18 CG PRO A 2 4.471 -18.130 -16.489 1.00 0.00 C ATOM 19 CD PRO A 2 3.271 -17.797 -17.330 1.00 0.00 C ATOM 0 HA PRO A 2 2.550 -17.629 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.924 -16.247 -15.577 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.945 -17.604 -14.468 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.393 -18.012 -17.059 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.436 -19.165 -16.150 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.513 -17.072 -18.107 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.874 -18.680 -17.831 1.00 0.00 H new ATOM 27 N ASP A 3 3.227 -14.586 -15.280 1.00 0.00 N ATOM 28 CA ASP A 3 3.046 -13.185 -14.920 1.00 0.00 C ATOM 29 C ASP A 3 1.572 -12.799 -14.972 1.00 0.00 C ATOM 30 O ASP A 3 0.827 -13.271 -15.831 1.00 0.00 O ATOM 31 CB ASP A 3 3.853 -12.287 -15.859 1.00 0.00 C ATOM 32 CG ASP A 3 3.655 -12.652 -17.318 1.00 0.00 C ATOM 33 OD1 ASP A 3 3.297 -13.815 -17.597 1.00 0.00 O ATOM 34 OD2 ASP A 3 3.859 -11.773 -18.183 1.00 0.00 O ATOM 0 H ASP A 3 3.801 -14.738 -16.109 1.00 0.00 H new ATOM 0 HA ASP A 3 3.405 -13.047 -13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.561 -11.248 -15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.911 -12.362 -15.609 1.00 0.00 H new ATOM 39 N VAL A 4 1.156 -11.937 -14.049 1.00 0.00 N ATOM 40 CA VAL A 4 -0.229 -11.491 -13.995 1.00 0.00 C ATOM 41 C VAL A 4 -0.322 -10.018 -13.609 1.00 0.00 C ATOM 42 O VAL A 4 0.189 -9.606 -12.567 1.00 0.00 O ATOM 43 CB VAL A 4 -1.050 -12.327 -12.998 1.00 0.00 C ATOM 44 CG1 VAL A 4 -1.244 -13.741 -13.525 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.380 -12.348 -11.632 1.00 0.00 C ATOM 0 H VAL A 4 1.758 -11.535 -13.330 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.642 -11.625 -14.995 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.030 -11.864 -12.886 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.827 -14.320 -12.808 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.773 -13.705 -14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.272 -14.213 -13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.978 -12.945 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.615 -12.785 -11.721 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.297 -11.330 -11.252 1.00 0.00 H new ATOM 55 N GLN A 5 -0.975 -9.231 -14.457 1.00 0.00 N ATOM 56 CA GLN A 5 -1.137 -7.802 -14.209 1.00 0.00 C ATOM 57 C GLN A 5 -2.598 -7.391 -14.348 1.00 0.00 C ATOM 58 O GLN A 5 -3.272 -7.765 -15.308 1.00 0.00 O ATOM 59 CB GLN A 5 -0.274 -6.992 -15.178 1.00 0.00 C ATOM 60 CG GLN A 5 1.210 -7.025 -14.848 1.00 0.00 C ATOM 61 CD GLN A 5 2.083 -7.126 -16.084 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.815 -8.099 -16.263 1.00 0.00 O ATOM 63 NE2 GLN A 5 2.011 -6.116 -16.944 1.00 0.00 N ATOM 0 H GLN A 5 -1.402 -9.559 -15.324 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.814 -7.597 -13.189 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.421 -7.374 -16.188 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.615 -5.957 -15.176 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.475 -6.124 -14.294 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.414 -7.873 -14.194 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.390 -5.329 -16.756 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.577 -6.128 -17.793 1.00 0.00 H new ATOM 72 N ASP A 6 -3.082 -6.616 -13.383 1.00 0.00 N ATOM 73 CA ASP A 6 -4.464 -6.151 -13.397 1.00 0.00 C ATOM 74 C ASP A 6 -4.816 -5.435 -12.097 1.00 0.00 C ATOM 75 O ASP A 6 -5.947 -5.519 -11.617 1.00 0.00 O ATOM 76 CB ASP A 6 -5.416 -7.327 -13.619 1.00 0.00 C ATOM 77 CG ASP A 6 -4.913 -8.606 -12.979 1.00 0.00 C ATOM 78 OD1 ASP A 6 -4.728 -8.618 -11.744 1.00 0.00 O ATOM 79 OD2 ASP A 6 -4.705 -9.595 -13.713 1.00 0.00 O ATOM 0 H ASP A 6 -2.538 -6.297 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.572 -5.442 -14.218 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.396 -7.080 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.548 -7.487 -14.689 1.00 0.00 H new ATOM 84 N CYS A 7 -3.843 -4.728 -11.533 1.00 0.00 N ATOM 85 CA CYS A 7 -4.052 -3.993 -10.292 1.00 0.00 C ATOM 86 C CYS A 7 -4.561 -4.913 -9.185 1.00 0.00 C ATOM 87 O CYS A 7 -5.632 -4.689 -8.620 1.00 0.00 O ATOM 88 CB CYS A 7 -5.039 -2.846 -10.514 1.00 0.00 C ATOM 89 SG CYS A 7 -4.524 -1.266 -9.767 1.00 0.00 S ATOM 0 H CYS A 7 -2.901 -4.649 -11.916 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.092 -3.583 -9.980 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.176 -2.701 -11.586 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.008 -3.130 -10.104 1.00 0.00 H new ATOM 94 N PRO A 8 -3.788 -5.959 -8.856 1.00 0.00 N ATOM 95 CA PRO A 8 -4.152 -6.915 -7.806 1.00 0.00 C ATOM 96 C PRO A 8 -3.985 -6.317 -6.414 1.00 0.00 C ATOM 97 O PRO A 8 -3.073 -6.685 -5.674 1.00 0.00 O ATOM 98 CB PRO A 8 -3.162 -8.061 -8.018 1.00 0.00 C ATOM 99 CG PRO A 8 -1.968 -7.417 -8.634 1.00 0.00 C ATOM 100 CD PRO A 8 -2.491 -6.285 -9.478 1.00 0.00 C ATOM 0 HA PRO A 8 -5.196 -7.222 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.909 -8.546 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.578 -8.829 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.286 -7.049 -7.868 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.411 -8.130 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.815 -5.430 -9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.610 -6.583 -10.520 1.00 0.00 H new ATOM 108 N GLU A 9 -4.867 -5.386 -6.066 1.00 0.00 N ATOM 109 CA GLU A 9 -4.812 -4.728 -4.767 1.00 0.00 C ATOM 110 C GLU A 9 -3.521 -3.930 -4.626 1.00 0.00 C ATOM 111 O GLU A 9 -2.424 -4.479 -4.733 1.00 0.00 O ATOM 112 CB GLU A 9 -4.920 -5.758 -3.642 1.00 0.00 C ATOM 113 CG GLU A 9 -5.678 -5.250 -2.427 1.00 0.00 C ATOM 114 CD GLU A 9 -6.124 -6.369 -1.506 1.00 0.00 C ATOM 115 OE1 GLU A 9 -5.257 -6.963 -0.830 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.340 -6.650 -1.457 1.00 0.00 O ATOM 0 H GLU A 9 -5.629 -5.070 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.655 -4.041 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.416 -6.650 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.917 -6.057 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.044 -4.558 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.551 -4.687 -2.758 1.00 0.00 H new ATOM 123 N CYS A 10 -3.659 -2.629 -4.401 1.00 0.00 N ATOM 124 CA CYS A 10 -2.504 -1.752 -4.262 1.00 0.00 C ATOM 125 C CYS A 10 -1.516 -2.288 -3.235 1.00 0.00 C ATOM 126 O CYS A 10 -1.861 -3.094 -2.372 1.00 0.00 O ATOM 127 CB CYS A 10 -2.937 -0.337 -3.870 1.00 0.00 C ATOM 128 SG CYS A 10 -1.549 0.804 -3.567 1.00 0.00 S ATOM 0 H CYS A 10 -4.559 -2.158 -4.311 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.008 -1.718 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.565 0.072 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.552 -0.392 -2.972 1.00 0.00 H new ATOM 133 N THR A 11 -0.281 -1.819 -3.345 1.00 0.00 N ATOM 134 CA THR A 11 0.789 -2.218 -2.446 1.00 0.00 C ATOM 135 C THR A 11 2.069 -1.496 -2.822 1.00 0.00 C ATOM 136 O THR A 11 2.033 -0.472 -3.500 1.00 0.00 O ATOM 137 CB THR A 11 1.000 -3.732 -2.487 1.00 0.00 C ATOM 138 OG1 THR A 11 2.249 -4.087 -1.921 1.00 0.00 O ATOM 139 CG2 THR A 11 0.955 -4.305 -3.886 1.00 0.00 C ATOM 0 H THR A 11 0.006 -1.151 -4.061 1.00 0.00 H new ATOM 0 HA THR A 11 0.509 -1.945 -1.428 1.00 0.00 H new ATOM 0 HB THR A 11 0.174 -4.149 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.209 -3.981 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.112 -5.383 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.017 -4.097 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.738 -3.848 -4.492 1.00 0.00 H new ATOM 147 N LEU A 12 3.193 -2.027 -2.375 1.00 0.00 N ATOM 148 CA LEU A 12 4.482 -1.423 -2.656 1.00 0.00 C ATOM 149 C LEU A 12 5.084 -1.964 -3.938 1.00 0.00 C ATOM 150 O LEU A 12 5.187 -3.176 -4.132 1.00 0.00 O ATOM 151 CB LEU A 12 5.418 -1.646 -1.486 1.00 0.00 C ATOM 152 CG LEU A 12 5.229 -0.654 -0.343 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.814 -0.738 0.207 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.247 -0.923 0.748 1.00 0.00 C ATOM 0 H LEU A 12 3.238 -2.878 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 12 4.335 -0.352 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.272 -2.657 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.447 -1.585 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 12 5.384 0.356 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.697 -0.023 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.102 -0.506 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.627 -1.746 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.106 -0.211 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.115 -1.937 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.253 -0.815 0.342 1.00 0.00 H new ATOM 166 N GLN A 13 5.479 -1.050 -4.814 1.00 0.00 N ATOM 167 CA GLN A 13 6.070 -1.428 -6.083 1.00 0.00 C ATOM 168 C GLN A 13 7.570 -1.399 -6.002 1.00 0.00 C ATOM 169 O GLN A 13 8.251 -0.842 -6.863 1.00 0.00 O ATOM 170 CB GLN A 13 5.601 -0.508 -7.177 1.00 0.00 C ATOM 171 CG GLN A 13 4.112 -0.609 -7.427 1.00 0.00 C ATOM 172 CD GLN A 13 3.764 -0.720 -8.899 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.505 -0.249 -9.762 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.632 -1.348 -9.193 1.00 0.00 N ATOM 0 H GLN A 13 5.400 -0.044 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 13 5.752 -2.445 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.852 0.520 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.136 -0.742 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.719 -1.478 -6.900 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.619 0.268 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.048 -1.723 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.346 -1.455 -10.166 1.00 0.00 H new ATOM 183 N GLU A 14 8.053 -1.994 -4.940 1.00 0.00 N ATOM 184 CA GLU A 14 9.483 -2.065 -4.657 1.00 0.00 C ATOM 185 C GLU A 14 10.280 -1.378 -5.743 1.00 0.00 C ATOM 186 O GLU A 14 10.253 -1.771 -6.908 1.00 0.00 O ATOM 187 CB GLU A 14 9.959 -3.503 -4.498 1.00 0.00 C ATOM 188 CG GLU A 14 10.661 -3.766 -3.173 1.00 0.00 C ATOM 189 CD GLU A 14 9.700 -4.184 -2.077 1.00 0.00 C ATOM 190 OE1 GLU A 14 8.477 -4.186 -2.329 1.00 0.00 O ATOM 191 OE2 GLU A 14 10.170 -4.509 -0.965 1.00 0.00 O ATOM 0 H GLU A 14 7.470 -2.448 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 14 9.647 -1.548 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.103 -4.173 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.639 -3.745 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.410 -4.546 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.192 -2.866 -2.862 1.00 0.00 H new ATOM 198 N ASN A 15 10.967 -0.338 -5.339 1.00 0.00 N ATOM 199 CA ASN A 15 11.766 0.463 -6.238 1.00 0.00 C ATOM 200 C ASN A 15 12.775 -0.368 -7.013 1.00 0.00 C ATOM 201 O ASN A 15 13.838 -0.712 -6.497 1.00 0.00 O ATOM 202 CB ASN A 15 12.478 1.555 -5.461 1.00 0.00 C ATOM 203 CG ASN A 15 12.360 2.904 -6.131 1.00 0.00 C ATOM 204 OD1 ASN A 15 13.252 3.332 -6.860 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.249 3.575 -5.884 1.00 0.00 N ATOM 0 H ASN A 15 10.989 -0.020 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 15 11.089 0.908 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.061 1.613 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.531 1.295 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.102 4.492 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.538 3.176 -5.271 1.00 0.00 H new ATOM 212 N PRO A 16 12.475 -0.665 -8.288 1.00 0.00 N ATOM 213 CA PRO A 16 13.387 -1.414 -9.144 1.00 0.00 C ATOM 214 C PRO A 16 14.553 -0.534 -9.556 1.00 0.00 C ATOM 215 O PRO A 16 15.384 -0.904 -10.386 1.00 0.00 O ATOM 216 CB PRO A 16 12.525 -1.783 -10.348 1.00 0.00 C ATOM 217 CG PRO A 16 11.495 -0.707 -10.419 1.00 0.00 C ATOM 218 CD PRO A 16 11.252 -0.254 -9.001 1.00 0.00 C ATOM 0 HA PRO A 16 13.820 -2.288 -8.658 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.118 -1.825 -11.262 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.066 -2.763 -10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.841 0.121 -11.037 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.575 -1.079 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.099 0.824 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.364 -0.724 -8.577 1.00 0.00 H new ATOM 226 N PHE A 17 14.587 0.643 -8.947 1.00 0.00 N ATOM 227 CA PHE A 17 15.617 1.637 -9.192 1.00 0.00 C ATOM 228 C PHE A 17 16.623 1.639 -8.052 1.00 0.00 C ATOM 229 O PHE A 17 17.813 1.383 -8.245 1.00 0.00 O ATOM 230 CB PHE A 17 14.968 3.018 -9.304 1.00 0.00 C ATOM 231 CG PHE A 17 15.859 4.058 -9.915 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.974 3.692 -10.648 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.574 5.405 -9.759 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.790 4.651 -11.218 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.386 6.368 -10.323 1.00 0.00 C ATOM 236 CZ PHE A 17 17.496 5.991 -11.056 1.00 0.00 C ATOM 0 H PHE A 17 13.891 0.936 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 17 16.135 1.396 -10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.060 2.935 -9.901 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.667 3.349 -8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 17 17.209 2.646 -10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.707 5.705 -9.190 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.657 4.353 -11.789 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.155 7.415 -10.192 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.132 6.742 -11.501 1.00 0.00 H new ATOM 246 N PHE A 18 16.122 1.929 -6.860 1.00 0.00 N ATOM 247 CA PHE A 18 16.943 1.972 -5.661 1.00 0.00 C ATOM 248 C PHE A 18 17.127 0.573 -5.092 1.00 0.00 C ATOM 249 O PHE A 18 17.725 0.389 -4.033 1.00 0.00 O ATOM 250 CB PHE A 18 16.276 2.873 -4.628 1.00 0.00 C ATOM 251 CG PHE A 18 15.652 4.094 -5.239 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.358 4.842 -6.160 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.367 4.490 -4.902 1.00 0.00 C ATOM 254 CE1 PHE A 18 15.802 5.967 -6.737 1.00 0.00 C ATOM 255 CE2 PHE A 18 13.803 5.615 -5.475 1.00 0.00 C ATOM 256 CZ PHE A 18 14.523 6.354 -6.394 1.00 0.00 C ATOM 0 H PHE A 18 15.137 2.140 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 18 17.925 2.371 -5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.511 2.306 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.015 3.180 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.359 4.543 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.801 3.914 -4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.367 6.542 -7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.801 5.915 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 18 14.085 7.233 -6.843 1.00 0.00 H new ATOM 266 N SER A 19 16.595 -0.410 -5.806 1.00 0.00 N ATOM 267 CA SER A 19 16.682 -1.798 -5.382 1.00 0.00 C ATOM 268 C SER A 19 18.126 -2.286 -5.355 1.00 0.00 C ATOM 269 O SER A 19 18.684 -2.662 -6.386 1.00 0.00 O ATOM 270 CB SER A 19 15.854 -2.688 -6.309 1.00 0.00 C ATOM 271 OG SER A 19 16.135 -4.059 -6.085 1.00 0.00 O ATOM 0 H SER A 19 16.097 -0.269 -6.685 1.00 0.00 H new ATOM 0 HA SER A 19 16.284 -1.858 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.793 -2.500 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.067 -2.435 -7.347 1.00 0.00 H new ATOM 0 HG SER A 19 15.592 -4.607 -6.689 1.00 0.00 H new ATOM 277 N GLN A 20 18.718 -2.295 -4.168 1.00 0.00 N ATOM 278 CA GLN A 20 20.086 -2.756 -3.999 1.00 0.00 C ATOM 279 C GLN A 20 20.093 -4.164 -3.418 1.00 0.00 C ATOM 280 O GLN A 20 19.054 -4.671 -2.995 1.00 0.00 O ATOM 281 CB GLN A 20 20.862 -1.788 -3.093 1.00 0.00 C ATOM 282 CG GLN A 20 21.159 -2.321 -1.696 1.00 0.00 C ATOM 283 CD GLN A 20 22.647 -2.426 -1.421 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.463 -1.850 -2.139 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.007 -3.162 -0.376 1.00 0.00 N ATOM 0 H GLN A 20 18.268 -1.987 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 20 20.577 -2.782 -4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.805 -1.535 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.293 -0.863 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.701 -1.666 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.701 -3.303 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.296 -3.622 0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.994 -3.267 -0.142 1.00 0.00 H new ATOM 294 N PRO A 21 21.262 -4.815 -3.383 1.00 0.00 N ATOM 295 CA PRO A 21 21.391 -6.171 -2.843 1.00 0.00 C ATOM 296 C PRO A 21 20.915 -6.256 -1.396 1.00 0.00 C ATOM 297 O PRO A 21 21.720 -6.372 -0.472 1.00 0.00 O ATOM 298 CB PRO A 21 22.895 -6.463 -2.934 1.00 0.00 C ATOM 299 CG PRO A 21 23.546 -5.134 -3.130 1.00 0.00 C ATOM 300 CD PRO A 21 22.546 -4.286 -3.860 1.00 0.00 C ATOM 0 HA PRO A 21 20.780 -6.887 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.257 -6.948 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.115 -7.135 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.813 -4.686 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.467 -5.232 -3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.662 -3.229 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.647 -4.382 -4.941 1.00 0.00 H new ATOM 308 N GLY A 22 19.600 -6.195 -1.207 1.00 0.00 N ATOM 309 CA GLY A 22 19.037 -6.263 0.130 1.00 0.00 C ATOM 310 C GLY A 22 17.981 -5.206 0.364 1.00 0.00 C ATOM 311 O GLY A 22 17.287 -5.225 1.381 1.00 0.00 O ATOM 0 H GLY A 22 18.914 -6.100 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.601 -7.250 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.834 -6.145 0.864 1.00 0.00 H new ATOM 315 N ALA A 23 17.868 -4.276 -0.574 1.00 0.00 N ATOM 316 CA ALA A 23 16.899 -3.196 -0.464 1.00 0.00 C ATOM 317 C ALA A 23 16.364 -2.801 -1.819 1.00 0.00 C ATOM 318 O ALA A 23 17.033 -2.147 -2.613 1.00 0.00 O ATOM 319 CB ALA A 23 17.528 -2.016 0.244 1.00 0.00 C ATOM 0 H ALA A 23 18.436 -4.248 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 23 16.051 -3.545 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.799 -1.209 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 17.847 -2.318 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.392 -1.669 -0.323 1.00 0.00 H new ATOM 325 N PRO A 24 15.139 -3.235 -2.084 1.00 0.00 N ATOM 326 CA PRO A 24 14.439 -3.003 -3.331 1.00 0.00 C ATOM 327 C PRO A 24 13.485 -1.821 -3.279 1.00 0.00 C ATOM 328 O PRO A 24 12.522 -1.750 -4.041 1.00 0.00 O ATOM 329 CB PRO A 24 13.692 -4.318 -3.483 1.00 0.00 C ATOM 330 CG PRO A 24 13.371 -4.746 -2.080 1.00 0.00 C ATOM 331 CD PRO A 24 14.330 -4.038 -1.168 1.00 0.00 C ATOM 0 HA PRO A 24 15.101 -2.745 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.785 -4.191 -4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.303 -5.063 -3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.342 -4.493 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.468 -5.827 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.808 -3.415 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.942 -4.742 -0.603 1.00 0.00 H new ATOM 339 N ILE A 25 13.788 -0.901 -2.384 1.00 0.00 N ATOM 340 CA ILE A 25 13.009 0.312 -2.184 1.00 0.00 C ATOM 341 C ILE A 25 11.585 0.186 -2.686 1.00 0.00 C ATOM 342 O ILE A 25 11.140 -0.906 -3.015 1.00 0.00 O ATOM 343 CB ILE A 25 13.727 1.522 -2.782 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.013 1.715 -2.012 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.866 2.759 -2.643 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.787 1.539 -0.533 1.00 0.00 C ATOM 0 H ILE A 25 14.595 -0.974 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 25 12.928 0.469 -1.108 1.00 0.00 H new ATOM 0 HB ILE A 25 13.927 1.358 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.759 0.999 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.412 2.710 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.387 3.615 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.923 2.607 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.667 2.947 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.728 1.683 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.059 2.272 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.411 0.534 -0.339 1.00 0.00 H new ATOM 358 N LEU A 26 10.818 1.275 -2.642 1.00 0.00 N ATOM 359 CA LEU A 26 9.415 1.180 -3.003 1.00 0.00 C ATOM 360 C LEU A 26 8.760 2.466 -3.404 1.00 0.00 C ATOM 361 O LEU A 26 9.391 3.489 -3.666 1.00 0.00 O ATOM 362 CB LEU A 26 8.685 0.651 -1.796 1.00 0.00 C ATOM 363 CG LEU A 26 9.598 -0.107 -0.875 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.421 0.335 0.557 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.405 -1.605 -1.019 1.00 0.00 C ATOM 0 H LEU A 26 11.137 2.204 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 26 9.365 0.537 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.231 1.481 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.874 -0.001 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 26 10.624 0.121 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.095 -0.232 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.648 1.398 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.391 0.159 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.080 -2.126 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.374 -1.864 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.622 -1.903 -2.045 1.00 0.00 H new ATOM 377 N GLN A 27 7.448 2.354 -3.428 1.00 0.00 N ATOM 378 CA GLN A 27 6.574 3.459 -3.778 1.00 0.00 C ATOM 379 C GLN A 27 5.152 2.962 -4.044 1.00 0.00 C ATOM 380 O GLN A 27 4.665 3.001 -5.174 1.00 0.00 O ATOM 381 CB GLN A 27 7.137 4.189 -4.996 1.00 0.00 C ATOM 382 CG GLN A 27 6.105 5.015 -5.747 1.00 0.00 C ATOM 383 CD GLN A 27 6.616 6.397 -6.106 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.386 7.364 -5.379 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.313 6.499 -7.232 1.00 0.00 N ATOM 0 H GLN A 27 6.954 1.490 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 27 6.527 4.156 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.947 4.843 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.570 3.458 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.817 4.490 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.207 5.111 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.480 5.672 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.681 7.404 -7.524 1.00 0.00 H new ATOM 394 N CYS A 28 4.506 2.476 -2.983 1.00 0.00 N ATOM 395 CA CYS A 28 3.146 1.941 -3.064 1.00 0.00 C ATOM 396 C CYS A 28 2.415 2.417 -4.316 1.00 0.00 C ATOM 397 O CYS A 28 2.154 3.608 -4.476 1.00 0.00 O ATOM 398 CB CYS A 28 2.320 2.312 -1.828 1.00 0.00 C ATOM 399 SG CYS A 28 1.437 0.898 -1.089 1.00 0.00 S ATOM 0 H CYS A 28 4.909 2.442 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 28 3.251 0.857 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.979 2.750 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.596 3.079 -2.102 1.00 0.00 H new ATOM 404 N MET A 29 2.076 1.478 -5.193 1.00 0.00 N ATOM 405 CA MET A 29 1.358 1.811 -6.423 1.00 0.00 C ATOM 406 C MET A 29 0.417 0.681 -6.839 1.00 0.00 C ATOM 407 O MET A 29 0.845 -0.457 -7.031 1.00 0.00 O ATOM 408 CB MET A 29 2.345 2.112 -7.552 1.00 0.00 C ATOM 409 CG MET A 29 1.847 3.165 -8.528 1.00 0.00 C ATOM 410 SD MET A 29 1.550 2.498 -10.178 1.00 0.00 S ATOM 411 CE MET A 29 -0.014 1.662 -9.931 1.00 0.00 C ATOM 0 H MET A 29 2.284 0.486 -5.079 1.00 0.00 H new ATOM 0 HA MET A 29 0.758 2.700 -6.228 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.288 2.446 -7.120 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.552 1.191 -8.098 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.925 3.602 -8.146 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.579 3.970 -8.592 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.542 1.589 -10.882 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.166 0.661 -9.538 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.620 2.226 -9.222 1.00 0.00 H new ATOM 421 N GLY A 30 -0.869 1.005 -6.978 1.00 0.00 N ATOM 422 CA GLY A 30 -1.849 0.006 -7.372 1.00 0.00 C ATOM 423 C GLY A 30 -3.283 0.492 -7.228 1.00 0.00 C ATOM 424 O GLY A 30 -3.603 1.621 -7.600 1.00 0.00 O ATOM 0 H GLY A 30 -1.248 1.940 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.671 -0.281 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.712 -0.889 -6.765 1.00 0.00 H new ATOM 428 N CYS A 31 -4.149 -0.368 -6.691 1.00 0.00 N ATOM 429 CA CYS A 31 -5.560 -0.027 -6.502 1.00 0.00 C ATOM 430 C CYS A 31 -5.993 -0.262 -5.056 1.00 0.00 C ATOM 431 O CYS A 31 -5.314 -0.953 -4.301 1.00 0.00 O ATOM 432 CB CYS A 31 -6.435 -0.854 -7.447 1.00 0.00 C ATOM 433 SG CYS A 31 -6.272 -0.401 -9.205 1.00 0.00 S ATOM 0 H CYS A 31 -3.898 -1.306 -6.379 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.684 1.032 -6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.181 -1.908 -7.330 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.478 -0.742 -7.150 1.00 0.00 H new ATOM 438 N CYS A 32 -7.128 0.318 -4.669 1.00 0.00 N ATOM 439 CA CYS A 32 -7.631 0.162 -3.306 1.00 0.00 C ATOM 440 C CYS A 32 -9.145 -0.035 -3.288 1.00 0.00 C ATOM 441 O CYS A 32 -9.875 0.589 -4.059 1.00 0.00 O ATOM 442 CB CYS A 32 -7.263 1.383 -2.460 1.00 0.00 C ATOM 443 SG CYS A 32 -5.613 1.292 -1.688 1.00 0.00 S ATOM 0 H CYS A 32 -7.712 0.895 -5.274 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.164 -0.728 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.309 2.273 -3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.011 1.507 -1.677 1.00 0.00 H new ATOM 448 N PHE A 33 -9.610 -0.899 -2.389 1.00 0.00 N ATOM 449 CA PHE A 33 -11.036 -1.173 -2.249 1.00 0.00 C ATOM 450 C PHE A 33 -11.429 -1.204 -0.775 1.00 0.00 C ATOM 451 O PHE A 33 -10.619 -0.889 0.097 1.00 0.00 O ATOM 452 CB PHE A 33 -11.401 -2.504 -2.914 1.00 0.00 C ATOM 453 CG PHE A 33 -10.265 -3.141 -3.664 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.624 -2.460 -4.686 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.842 -4.421 -3.348 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.580 -3.044 -5.378 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.798 -5.010 -4.037 1.00 0.00 C ATOM 458 CZ PHE A 33 -8.167 -4.321 -5.053 1.00 0.00 C ATOM 0 H PHE A 33 -9.017 -1.422 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.585 -0.373 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.753 -3.197 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.231 -2.340 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.944 -1.461 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.333 -4.965 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.088 -2.502 -6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.476 -6.009 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.352 -4.780 -5.593 1.00 0.00 H new ATOM 468 N SER A 34 -12.671 -1.589 -0.499 1.00 0.00 N ATOM 469 CA SER A 34 -13.155 -1.661 0.876 1.00 0.00 C ATOM 470 C SER A 34 -12.611 -2.904 1.572 1.00 0.00 C ATOM 471 O SER A 34 -11.778 -2.808 2.473 1.00 0.00 O ATOM 472 CB SER A 34 -14.685 -1.671 0.903 1.00 0.00 C ATOM 473 OG SER A 34 -15.175 -1.347 2.193 1.00 0.00 O ATOM 0 H SER A 34 -13.358 -1.855 -1.205 1.00 0.00 H new ATOM 0 HA SER A 34 -12.800 -0.780 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.069 -0.957 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.051 -2.655 0.608 1.00 0.00 H new ATOM 0 HG SER A 34 -16.155 -1.359 2.183 1.00 0.00 H new ATOM 479 N ARG A 35 -13.081 -4.069 1.141 1.00 0.00 N ATOM 480 CA ARG A 35 -12.637 -5.334 1.715 1.00 0.00 C ATOM 481 C ARG A 35 -12.812 -5.349 3.232 1.00 0.00 C ATOM 482 O ARG A 35 -13.075 -4.318 3.851 1.00 0.00 O ATOM 483 CB ARG A 35 -11.172 -5.592 1.346 1.00 0.00 C ATOM 484 CG ARG A 35 -10.315 -6.070 2.507 1.00 0.00 C ATOM 485 CD ARG A 35 -8.849 -6.164 2.117 1.00 0.00 C ATOM 486 NE ARG A 35 -8.292 -7.483 2.401 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.492 -8.549 1.632 1.00 0.00 C ATOM 488 NH1 ARG A 35 -9.229 -8.446 0.533 1.00 0.00 N ATOM 489 NH2 ARG A 35 -7.956 -9.716 1.959 1.00 0.00 N ATOM 0 H ARG A 35 -13.770 -4.164 0.395 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.257 -6.129 1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.134 -6.336 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.742 -4.674 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.425 -5.385 3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.666 -7.046 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.742 -5.946 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.281 -5.406 2.657 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.717 -7.593 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.642 -7.549 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.382 -9.264 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.388 -9.798 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.111 -10.532 1.367 1.00 0.00 H new ATOM 503 N ALA A 36 -12.658 -6.532 3.819 1.00 0.00 N ATOM 504 CA ALA A 36 -12.790 -6.706 5.261 1.00 0.00 C ATOM 505 C ALA A 36 -13.902 -5.838 5.837 1.00 0.00 C ATOM 506 O ALA A 36 -13.663 -4.715 6.280 1.00 0.00 O ATOM 507 CB ALA A 36 -11.473 -6.400 5.954 1.00 0.00 C ATOM 0 H ALA A 36 -12.440 -7.390 3.313 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.056 -7.747 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.588 -6.534 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.702 -7.076 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.183 -5.370 5.746 1.00 0.00 H new ATOM 513 N TYR A 37 -15.115 -6.376 5.844 1.00 0.00 N ATOM 514 CA TYR A 37 -16.267 -5.660 6.381 1.00 0.00 C ATOM 515 C TYR A 37 -16.867 -6.408 7.569 1.00 0.00 C ATOM 516 O TYR A 37 -17.036 -5.838 8.647 1.00 0.00 O ATOM 517 CB TYR A 37 -17.330 -5.446 5.302 1.00 0.00 C ATOM 518 CG TYR A 37 -18.228 -4.259 5.574 1.00 0.00 C ATOM 519 CD1 TYR A 37 -18.859 -4.111 6.803 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.445 -3.288 4.605 1.00 0.00 C ATOM 521 CE1 TYR A 37 -19.680 -3.028 7.058 1.00 0.00 C ATOM 522 CE2 TYR A 37 -19.264 -2.202 4.853 1.00 0.00 C ATOM 523 CZ TYR A 37 -19.879 -2.077 6.080 1.00 0.00 C ATOM 524 OH TYR A 37 -20.695 -0.999 6.332 1.00 0.00 O ATOM 0 H TYR A 37 -15.327 -7.306 5.484 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.921 -4.685 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -16.838 -5.307 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.942 -6.345 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.706 -4.854 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.966 -3.383 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -20.163 -2.928 8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.421 -1.455 4.089 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.728 -0.422 5.541 1.00 0.00 H new ATOM 534 N PRO A 38 -17.195 -7.700 7.393 1.00 0.00 N ATOM 535 CA PRO A 38 -17.772 -8.519 8.463 1.00 0.00 C ATOM 536 C PRO A 38 -16.806 -8.697 9.628 1.00 0.00 C ATOM 537 O PRO A 38 -15.667 -8.233 9.576 1.00 0.00 O ATOM 538 CB PRO A 38 -18.046 -9.871 7.790 1.00 0.00 C ATOM 539 CG PRO A 38 -17.992 -9.600 6.324 1.00 0.00 C ATOM 540 CD PRO A 38 -17.024 -8.466 6.149 1.00 0.00 C ATOM 0 HA PRO A 38 -18.664 -8.058 8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -17.302 -10.613 8.080 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -19.020 -10.265 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.662 -10.483 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.977 -9.335 5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -16.001 -8.822 6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -17.257 -7.867 5.269 1.00 0.00 H new ATOM 548 N THR A 39 -17.264 -9.370 10.678 1.00 0.00 N ATOM 549 CA THR A 39 -16.431 -9.606 11.851 1.00 0.00 C ATOM 550 C THR A 39 -17.210 -10.330 12.944 1.00 0.00 C ATOM 551 O THR A 39 -18.431 -10.466 12.866 1.00 0.00 O ATOM 552 CB THR A 39 -15.890 -8.280 12.390 1.00 0.00 C ATOM 553 OG1 THR A 39 -16.662 -7.192 11.914 1.00 0.00 O ATOM 554 CG2 THR A 39 -14.449 -8.021 12.008 1.00 0.00 C ATOM 0 H THR A 39 -18.204 -9.760 10.741 1.00 0.00 H new ATOM 0 HA THR A 39 -15.597 -10.240 11.548 1.00 0.00 H new ATOM 0 HB THR A 39 -15.952 -8.364 13.475 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.301 -6.354 12.271 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.129 -7.065 12.422 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.819 -8.817 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.360 -7.994 10.922 1.00 0.00 H new ATOM 562 N PRO A 40 -16.505 -10.806 13.980 1.00 0.00 N ATOM 563 CA PRO A 40 -17.121 -11.522 15.101 1.00 0.00 C ATOM 564 C PRO A 40 -18.192 -10.693 15.800 1.00 0.00 C ATOM 565 O PRO A 40 -17.968 -10.160 16.888 1.00 0.00 O ATOM 566 CB PRO A 40 -15.947 -11.798 16.053 1.00 0.00 C ATOM 567 CG PRO A 40 -14.863 -10.871 15.619 1.00 0.00 C ATOM 568 CD PRO A 40 -15.050 -10.682 14.143 1.00 0.00 C ATOM 0 HA PRO A 40 -17.632 -12.426 14.769 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.230 -11.615 17.090 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.625 -12.837 15.989 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.929 -9.919 16.146 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.881 -11.289 15.838 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.687 -9.709 13.811 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.513 -11.436 13.568 1.00 0.00 H new ATOM 576 N LEU A 41 -19.356 -10.591 15.169 1.00 0.00 N ATOM 577 CA LEU A 41 -20.467 -9.830 15.727 1.00 0.00 C ATOM 578 C LEU A 41 -21.731 -10.040 14.898 1.00 0.00 C ATOM 579 O LEU A 41 -22.287 -9.093 14.342 1.00 0.00 O ATOM 580 CB LEU A 41 -20.115 -8.341 15.792 1.00 0.00 C ATOM 581 CG LEU A 41 -19.750 -7.825 17.186 1.00 0.00 C ATOM 582 CD1 LEU A 41 -18.371 -7.181 17.177 1.00 0.00 C ATOM 583 CD2 LEU A 41 -20.796 -6.837 17.681 1.00 0.00 C ATOM 0 H LEU A 41 -19.555 -11.027 14.269 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.655 -10.188 16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.278 -8.151 15.120 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.962 -7.766 15.418 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.727 -8.674 17.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.131 -6.821 18.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.628 -7.916 16.868 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.365 -6.344 16.479 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -20.519 -6.481 18.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.852 -5.992 16.995 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -21.767 -7.329 17.730 1.00 0.00 H new ATOM 595 N ARG A 42 -22.175 -11.291 14.821 1.00 0.00 N ATOM 596 CA ARG A 42 -23.372 -11.639 14.062 1.00 0.00 C ATOM 597 C ARG A 42 -23.120 -11.524 12.562 1.00 0.00 C ATOM 598 O ARG A 42 -22.421 -10.620 12.106 1.00 0.00 O ATOM 599 CB ARG A 42 -24.542 -10.739 14.469 1.00 0.00 C ATOM 600 CG ARG A 42 -24.922 -10.864 15.935 1.00 0.00 C ATOM 601 CD ARG A 42 -26.286 -11.512 16.106 1.00 0.00 C ATOM 602 NE ARG A 42 -27.373 -10.551 15.943 1.00 0.00 N ATOM 603 CZ ARG A 42 -28.105 -10.441 14.836 1.00 0.00 C ATOM 604 NH1 ARG A 42 -27.868 -11.226 13.795 1.00 0.00 N ATOM 605 NH2 ARG A 42 -29.078 -9.543 14.774 1.00 0.00 N ATOM 0 H ARG A 42 -21.722 -12.083 15.277 1.00 0.00 H new ATOM 0 HA ARG A 42 -23.626 -12.674 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -24.283 -9.702 14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -25.409 -10.984 13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -24.170 -11.455 16.457 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.928 -9.876 16.396 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -26.400 -12.315 15.378 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -26.350 -11.967 17.094 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.584 -9.928 16.722 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -27.121 -11.920 13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -28.432 -11.137 12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -29.265 -8.938 15.573 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -29.640 -9.457 13.927 1.00 0.00 H new ATOM 619 N SER A 43 -23.695 -12.450 11.800 1.00 0.00 N ATOM 620 CA SER A 43 -23.535 -12.457 10.350 1.00 0.00 C ATOM 621 C SER A 43 -24.724 -13.146 9.680 1.00 0.00 C ATOM 622 O SER A 43 -25.873 -12.760 9.891 1.00 0.00 O ATOM 623 CB SER A 43 -22.227 -13.156 9.968 1.00 0.00 C ATOM 624 OG SER A 43 -21.982 -13.056 8.575 1.00 0.00 O ATOM 0 H SER A 43 -24.276 -13.205 12.163 1.00 0.00 H new ATOM 0 HA SER A 43 -23.497 -11.425 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.399 -12.710 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 43 -22.274 -14.206 10.258 1.00 0.00 H new ATOM 0 HG SER A 43 -21.140 -13.509 8.358 1.00 0.00 H new ATOM 630 N LYS A 44 -24.444 -14.171 8.880 1.00 0.00 N ATOM 631 CA LYS A 44 -25.493 -14.917 8.192 1.00 0.00 C ATOM 632 C LYS A 44 -26.314 -14.017 7.269 1.00 0.00 C ATOM 633 O LYS A 44 -26.041 -12.825 7.138 1.00 0.00 O ATOM 634 CB LYS A 44 -26.415 -15.592 9.210 1.00 0.00 C ATOM 635 CG LYS A 44 -26.235 -17.099 9.293 1.00 0.00 C ATOM 636 CD LYS A 44 -26.878 -17.805 8.110 1.00 0.00 C ATOM 637 CE LYS A 44 -26.792 -19.316 8.252 1.00 0.00 C ATOM 638 NZ LYS A 44 -27.923 -19.865 9.047 1.00 0.00 N ATOM 0 H LYS A 44 -23.498 -14.504 8.692 1.00 0.00 H new ATOM 0 HA LYS A 44 -25.008 -15.676 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -26.234 -15.159 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.451 -15.373 8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -25.172 -17.338 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.674 -17.468 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.923 -17.505 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.385 -17.496 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.788 -19.774 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -25.849 -19.582 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.827 -20.898 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.912 -19.448 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.822 -19.633 8.578 1.00 0.00 H new ATOM 652 N LYS A 45 -27.321 -14.620 6.636 1.00 0.00 N ATOM 653 CA LYS A 45 -28.222 -13.928 5.710 1.00 0.00 C ATOM 654 C LYS A 45 -27.874 -12.451 5.536 1.00 0.00 C ATOM 655 O LYS A 45 -27.868 -11.682 6.497 1.00 0.00 O ATOM 656 CB LYS A 45 -29.670 -14.060 6.190 1.00 0.00 C ATOM 657 CG LYS A 45 -29.839 -15.013 7.363 1.00 0.00 C ATOM 658 CD LYS A 45 -31.068 -14.666 8.186 1.00 0.00 C ATOM 659 CE LYS A 45 -30.973 -15.233 9.593 1.00 0.00 C ATOM 660 NZ LYS A 45 -29.960 -14.515 10.413 1.00 0.00 N ATOM 0 H LYS A 45 -27.537 -15.610 6.752 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.101 -14.406 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -30.040 -13.076 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -30.289 -14.404 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -29.923 -16.035 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.952 -14.974 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -31.180 -13.583 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -31.959 -15.057 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -31.947 -15.166 10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -30.715 -16.291 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.326 -15.205 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -29.405 -13.881 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -30.440 -13.956 11.147 1.00 0.00 H new ATOM 674 N THR A 46 -27.608 -12.064 4.291 1.00 0.00 N ATOM 675 CA THR A 46 -27.279 -10.681 3.965 1.00 0.00 C ATOM 676 C THR A 46 -28.370 -10.069 3.091 1.00 0.00 C ATOM 677 O THR A 46 -29.107 -10.784 2.410 1.00 0.00 O ATOM 678 CB THR A 46 -25.929 -10.605 3.247 1.00 0.00 C ATOM 679 OG1 THR A 46 -25.716 -9.308 2.715 1.00 0.00 O ATOM 680 CG2 THR A 46 -25.795 -11.594 2.108 1.00 0.00 C ATOM 0 H THR A 46 -27.614 -12.693 3.488 1.00 0.00 H new ATOM 0 HA THR A 46 -27.212 -10.116 4.895 1.00 0.00 H new ATOM 0 HB THR A 46 -25.187 -10.850 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 46 -24.848 -9.279 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.815 -11.485 1.645 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.904 -12.608 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 46 -26.570 -11.402 1.366 1.00 0.00 H new ATOM 688 N MET A 47 -28.473 -8.745 3.118 1.00 0.00 N ATOM 689 CA MET A 47 -29.479 -8.040 2.331 1.00 0.00 C ATOM 690 C MET A 47 -29.686 -6.625 2.863 1.00 0.00 C ATOM 691 O MET A 47 -30.418 -6.416 3.829 1.00 0.00 O ATOM 692 CB MET A 47 -30.805 -8.803 2.355 1.00 0.00 C ATOM 693 CG MET A 47 -31.183 -9.418 1.017 1.00 0.00 C ATOM 694 SD MET A 47 -32.733 -8.764 0.366 1.00 0.00 S ATOM 695 CE MET A 47 -32.431 -8.857 -1.396 1.00 0.00 C ATOM 0 H MET A 47 -27.873 -8.138 3.676 1.00 0.00 H new ATOM 0 HA MET A 47 -29.123 -7.978 1.303 1.00 0.00 H new ATOM 0 HB2 MET A 47 -30.745 -9.593 3.104 1.00 0.00 H new ATOM 0 HB3 MET A 47 -31.598 -8.125 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 47 -30.385 -9.234 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 47 -31.268 -10.499 1.129 1.00 0.00 H new ATOM 0 HE1 MET A 47 -33.303 -8.486 -1.935 1.00 0.00 H new ATOM 0 HE2 MET A 47 -31.562 -8.249 -1.649 1.00 0.00 H new ATOM 0 HE3 MET A 47 -32.244 -9.893 -1.679 1.00 0.00 H new ATOM 705 N LEU A 48 -29.034 -5.657 2.228 1.00 0.00 N ATOM 706 CA LEU A 48 -29.146 -4.264 2.642 1.00 0.00 C ATOM 707 C LEU A 48 -29.055 -3.330 1.441 1.00 0.00 C ATOM 708 O LEU A 48 -28.304 -3.581 0.499 1.00 0.00 O ATOM 709 CB LEU A 48 -28.049 -3.920 3.652 1.00 0.00 C ATOM 710 CG LEU A 48 -28.221 -4.552 5.035 1.00 0.00 C ATOM 711 CD1 LEU A 48 -27.482 -5.879 5.111 1.00 0.00 C ATOM 712 CD2 LEU A 48 -27.730 -3.602 6.118 1.00 0.00 C ATOM 0 H LEU A 48 -28.423 -5.811 1.426 1.00 0.00 H new ATOM 0 HA LEU A 48 -30.120 -4.129 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.088 -4.233 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -28.009 -2.837 3.767 1.00 0.00 H new ATOM 0 HG LEU A 48 -29.282 -4.742 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.616 -6.314 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.880 -6.561 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -26.420 -5.715 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.859 -4.067 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -26.675 -3.382 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -28.304 -2.676 6.077 1.00 0.00 H new ATOM 724 N VAL A 49 -29.825 -2.249 1.483 1.00 0.00 N ATOM 725 CA VAL A 49 -29.829 -1.277 0.397 1.00 0.00 C ATOM 726 C VAL A 49 -28.423 -0.750 0.131 1.00 0.00 C ATOM 727 O VAL A 49 -27.802 -0.142 1.003 1.00 0.00 O ATOM 728 CB VAL A 49 -30.755 -0.087 0.707 1.00 0.00 C ATOM 729 CG1 VAL A 49 -31.291 0.527 -0.577 1.00 0.00 C ATOM 730 CG2 VAL A 49 -31.895 -0.518 1.616 1.00 0.00 C ATOM 0 H VAL A 49 -30.453 -2.024 2.255 1.00 0.00 H new ATOM 0 HA VAL A 49 -30.199 -1.795 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 49 -30.172 0.673 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -31.943 1.366 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -30.459 0.878 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -31.856 -0.223 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -32.538 0.337 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -32.476 -1.299 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -31.489 -0.902 2.552 1.00 0.00 H new ATOM 740 N GLN A 50 -27.930 -0.982 -1.079 1.00 0.00 N ATOM 741 CA GLN A 50 -26.598 -0.525 -1.461 1.00 0.00 C ATOM 742 C GLN A 50 -26.658 0.886 -2.036 1.00 0.00 C ATOM 743 O GLN A 50 -25.924 1.223 -2.965 1.00 0.00 O ATOM 744 CB GLN A 50 -25.974 -1.489 -2.475 1.00 0.00 C ATOM 745 CG GLN A 50 -26.285 -1.147 -3.924 1.00 0.00 C ATOM 746 CD GLN A 50 -25.053 -0.722 -4.701 1.00 0.00 C ATOM 747 OE1 GLN A 50 -23.936 -1.134 -4.388 1.00 0.00 O ATOM 748 NE2 GLN A 50 -25.252 0.108 -5.718 1.00 0.00 N ATOM 0 H GLN A 50 -28.431 -1.483 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 50 -25.972 -0.505 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.893 -1.495 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -26.328 -2.499 -2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -26.735 -2.013 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -27.023 -0.346 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -26.196 0.424 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.461 0.430 -6.276 1.00 0.00 H new ATOM 757 N LYS A 51 -27.541 1.706 -1.474 1.00 0.00 N ATOM 758 CA LYS A 51 -27.706 3.083 -1.920 1.00 0.00 C ATOM 759 C LYS A 51 -26.711 4.001 -1.218 1.00 0.00 C ATOM 760 O LYS A 51 -25.688 3.547 -0.704 1.00 0.00 O ATOM 761 CB LYS A 51 -29.134 3.558 -1.641 1.00 0.00 C ATOM 762 CG LYS A 51 -29.806 4.223 -2.831 1.00 0.00 C ATOM 763 CD LYS A 51 -31.277 4.493 -2.555 1.00 0.00 C ATOM 764 CE LYS A 51 -31.877 5.432 -3.588 1.00 0.00 C ATOM 765 NZ LYS A 51 -33.356 5.535 -3.452 1.00 0.00 N ATOM 0 H LYS A 51 -28.155 1.438 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 51 -27.517 3.120 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -29.735 2.705 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -29.116 4.260 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -29.299 5.160 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -29.710 3.585 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -31.827 3.552 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -31.388 4.926 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -31.433 6.422 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -31.628 5.078 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -33.727 6.185 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -33.783 4.595 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -33.593 5.897 -2.506 1.00 0.00 H new ATOM 779 N ASN A 52 -27.021 5.293 -1.195 1.00 0.00 N ATOM 780 CA ASN A 52 -26.160 6.276 -0.549 1.00 0.00 C ATOM 781 C ASN A 52 -24.712 6.126 -1.007 1.00 0.00 C ATOM 782 O ASN A 52 -23.781 6.307 -0.223 1.00 0.00 O ATOM 783 CB ASN A 52 -26.243 6.132 0.972 1.00 0.00 C ATOM 784 CG ASN A 52 -27.455 5.330 1.409 1.00 0.00 C ATOM 785 OD1 ASN A 52 -27.354 4.439 2.251 1.00 0.00 O ATOM 786 ND2 ASN A 52 -28.609 5.644 0.833 1.00 0.00 N ATOM 0 H ASN A 52 -27.863 5.684 -1.617 1.00 0.00 H new ATOM 0 HA ASN A 52 -26.508 7.268 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -25.338 5.648 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -26.282 7.122 1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -29.459 5.139 1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -28.646 6.391 0.139 1.00 0.00 H new ATOM 793 N VAL A 53 -24.531 5.799 -2.283 1.00 0.00 N ATOM 794 CA VAL A 53 -23.197 5.628 -2.848 1.00 0.00 C ATOM 795 C VAL A 53 -22.246 4.996 -1.837 1.00 0.00 C ATOM 796 O VAL A 53 -22.680 4.377 -0.866 1.00 0.00 O ATOM 797 CB VAL A 53 -22.614 6.974 -3.323 1.00 0.00 C ATOM 798 CG1 VAL A 53 -23.716 7.871 -3.864 1.00 0.00 C ATOM 799 CG2 VAL A 53 -21.862 7.667 -2.195 1.00 0.00 C ATOM 0 H VAL A 53 -25.292 5.647 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 53 -23.298 4.963 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 53 -21.907 6.774 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -23.286 8.817 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.204 7.380 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -24.449 8.060 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.460 8.614 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -22.543 7.853 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.044 7.030 -1.858 1.00 0.00 H new ATOM 809 N THR A 54 -20.946 5.157 -2.072 1.00 0.00 N ATOM 810 CA THR A 54 -19.934 4.600 -1.180 1.00 0.00 C ATOM 811 C THR A 54 -18.526 4.833 -1.725 1.00 0.00 C ATOM 812 O THR A 54 -17.651 3.978 -1.591 1.00 0.00 O ATOM 813 CB THR A 54 -20.173 3.101 -0.987 1.00 0.00 C ATOM 814 OG1 THR A 54 -19.471 2.624 0.148 1.00 0.00 O ATOM 815 CG2 THR A 54 -19.743 2.268 -2.175 1.00 0.00 C ATOM 0 H THR A 54 -20.570 5.668 -2.871 1.00 0.00 H new ATOM 0 HA THR A 54 -20.016 5.108 -0.219 1.00 0.00 H new ATOM 0 HB THR A 54 -21.250 2.994 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.525 2.867 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.940 1.215 -1.972 1.00 0.00 H new ATOM 0 HG22 THR A 54 -20.302 2.578 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 -18.677 2.410 -2.352 1.00 0.00 H new ATOM 823 N SER A 55 -18.312 5.994 -2.338 1.00 0.00 N ATOM 824 CA SER A 55 -17.007 6.332 -2.898 1.00 0.00 C ATOM 825 C SER A 55 -16.597 7.750 -2.515 1.00 0.00 C ATOM 826 O SER A 55 -16.863 8.705 -3.247 1.00 0.00 O ATOM 827 CB SER A 55 -17.027 6.184 -4.419 1.00 0.00 C ATOM 828 OG SER A 55 -17.522 7.359 -5.039 1.00 0.00 O ATOM 0 H SER A 55 -19.023 6.715 -2.459 1.00 0.00 H new ATOM 0 HA SER A 55 -16.273 5.641 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.020 5.975 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.649 5.333 -4.697 1.00 0.00 H new ATOM 0 HG SER A 55 -16.959 8.122 -4.790 1.00 0.00 H new ATOM 834 N GLU A 56 -15.949 7.880 -1.363 1.00 0.00 N ATOM 835 CA GLU A 56 -15.499 9.179 -0.876 1.00 0.00 C ATOM 836 C GLU A 56 -14.145 9.553 -1.477 1.00 0.00 C ATOM 837 O GLU A 56 -14.080 10.261 -2.482 1.00 0.00 O ATOM 838 CB GLU A 56 -15.419 9.166 0.654 1.00 0.00 C ATOM 839 CG GLU A 56 -15.472 10.549 1.282 1.00 0.00 C ATOM 840 CD GLU A 56 -14.952 10.561 2.707 1.00 0.00 C ATOM 841 OE1 GLU A 56 -14.181 9.645 3.066 1.00 0.00 O ATOM 842 OE2 GLU A 56 -15.314 11.485 3.463 1.00 0.00 O ATOM 0 H GLU A 56 -15.723 7.099 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.223 9.931 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.241 8.567 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.494 8.675 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.885 11.241 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.500 10.910 1.271 1.00 0.00 H new ATOM 849 N SER A 57 -13.069 9.072 -0.858 1.00 0.00 N ATOM 850 CA SER A 57 -11.719 9.356 -1.335 1.00 0.00 C ATOM 851 C SER A 57 -10.686 8.554 -0.551 1.00 0.00 C ATOM 852 O SER A 57 -10.340 8.904 0.577 1.00 0.00 O ATOM 853 CB SER A 57 -11.413 10.850 -1.216 1.00 0.00 C ATOM 854 OG SER A 57 -12.566 11.633 -1.471 1.00 0.00 O ATOM 0 H SER A 57 -13.107 8.484 -0.025 1.00 0.00 H new ATOM 0 HA SER A 57 -11.665 9.064 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.036 11.068 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.625 11.119 -1.919 1.00 0.00 H new ATOM 0 HG SER A 57 -12.994 11.326 -2.297 1.00 0.00 H new ATOM 860 N THR A 58 -10.199 7.477 -1.155 1.00 0.00 N ATOM 861 CA THR A 58 -9.206 6.624 -0.514 1.00 0.00 C ATOM 862 C THR A 58 -8.072 6.290 -1.477 1.00 0.00 C ATOM 863 O THR A 58 -8.247 6.335 -2.695 1.00 0.00 O ATOM 864 CB THR A 58 -9.859 5.335 -0.011 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.268 5.396 -0.155 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.558 5.038 1.442 1.00 0.00 C ATOM 0 H THR A 58 -10.476 7.173 -2.089 1.00 0.00 H new ATOM 0 HA THR A 58 -8.790 7.168 0.334 1.00 0.00 H new ATOM 0 HB THR A 58 -9.434 4.539 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.667 4.562 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.051 4.111 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.481 4.934 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.924 5.855 2.064 1.00 0.00 H new ATOM 874 N CYS A 59 -6.910 5.954 -0.924 1.00 0.00 N ATOM 875 CA CYS A 59 -5.750 5.611 -1.739 1.00 0.00 C ATOM 876 C CYS A 59 -4.552 5.250 -0.867 1.00 0.00 C ATOM 877 O CYS A 59 -4.158 6.013 0.013 1.00 0.00 O ATOM 878 CB CYS A 59 -5.387 6.771 -2.669 1.00 0.00 C ATOM 879 SG CYS A 59 -5.841 8.414 -2.024 1.00 0.00 S ATOM 0 H CYS A 59 -6.747 5.912 0.082 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.012 4.741 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.313 6.750 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.881 6.621 -3.629 1.00 0.00 H new ATOM 884 N CYS A 60 -3.978 4.077 -1.117 1.00 0.00 N ATOM 885 CA CYS A 60 -2.824 3.613 -0.355 1.00 0.00 C ATOM 886 C CYS A 60 -1.924 4.779 0.043 1.00 0.00 C ATOM 887 O CYS A 60 -1.668 5.680 -0.755 1.00 0.00 O ATOM 888 CB CYS A 60 -2.019 2.588 -1.160 1.00 0.00 C ATOM 889 SG CYS A 60 -2.447 2.510 -2.930 1.00 0.00 S ATOM 0 H CYS A 60 -4.293 3.431 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.197 3.137 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.959 2.823 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.167 1.602 -0.720 1.00 0.00 H new ATOM 894 N VAL A 61 -1.446 4.750 1.282 1.00 0.00 N ATOM 895 CA VAL A 61 -0.570 5.795 1.797 1.00 0.00 C ATOM 896 C VAL A 61 0.378 5.228 2.847 1.00 0.00 C ATOM 897 O VAL A 61 0.231 5.494 4.039 1.00 0.00 O ATOM 898 CB VAL A 61 -1.379 6.951 2.419 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.448 8.132 1.463 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.776 6.480 2.797 1.00 0.00 C ATOM 0 H VAL A 61 -1.652 4.009 1.952 1.00 0.00 H new ATOM 0 HA VAL A 61 0.004 6.182 0.955 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.871 7.278 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.023 8.937 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.439 8.484 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.931 7.822 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.333 7.308 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.294 6.125 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.703 5.669 3.522 1.00 0.00 H new ATOM 910 N ALA A 62 1.341 4.432 2.385 1.00 0.00 N ATOM 911 CA ALA A 62 2.323 3.792 3.258 1.00 0.00 C ATOM 912 C ALA A 62 2.057 4.054 4.736 1.00 0.00 C ATOM 913 O ALA A 62 2.396 5.113 5.264 1.00 0.00 O ATOM 914 CB ALA A 62 3.731 4.234 2.902 1.00 0.00 C ATOM 0 H ALA A 62 1.462 4.213 1.396 1.00 0.00 H new ATOM 0 HA ALA A 62 2.226 2.719 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.445 3.745 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.948 3.960 1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.813 5.315 3.015 1.00 0.00 H new ATOM 920 N LYS A 63 1.478 3.064 5.403 1.00 0.00 N ATOM 921 CA LYS A 63 1.196 3.154 6.824 1.00 0.00 C ATOM 922 C LYS A 63 2.465 3.498 7.577 1.00 0.00 C ATOM 923 O LYS A 63 2.442 4.194 8.592 1.00 0.00 O ATOM 924 CB LYS A 63 0.664 1.817 7.331 1.00 0.00 C ATOM 925 CG LYS A 63 0.244 1.851 8.788 1.00 0.00 C ATOM 926 CD LYS A 63 0.595 0.555 9.500 1.00 0.00 C ATOM 927 CE LYS A 63 -0.650 -0.245 9.847 1.00 0.00 C ATOM 928 NZ LYS A 63 -0.607 -1.617 9.269 1.00 0.00 N ATOM 0 H LYS A 63 1.193 2.183 4.975 1.00 0.00 H new ATOM 0 HA LYS A 63 0.450 3.931 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.189 1.519 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.432 1.055 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.733 2.686 9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.830 2.024 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.249 -0.044 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.151 0.778 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.749 -0.310 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.532 0.277 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.474 -2.130 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.538 -1.555 8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.221 -2.125 9.642 1.00 0.00 H new ATOM 942 N SER A 64 3.575 2.994 7.057 1.00 0.00 N ATOM 943 CA SER A 64 4.881 3.223 7.649 1.00 0.00 C ATOM 944 C SER A 64 5.952 3.175 6.567 1.00 0.00 C ATOM 945 O SER A 64 6.029 2.216 5.800 1.00 0.00 O ATOM 946 CB SER A 64 5.163 2.180 8.735 1.00 0.00 C ATOM 947 OG SER A 64 4.105 2.128 9.680 1.00 0.00 O ATOM 0 H SER A 64 3.594 2.417 6.216 1.00 0.00 H new ATOM 0 HA SER A 64 4.895 4.209 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.294 1.200 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.097 2.422 9.243 1.00 0.00 H new ATOM 0 HG SER A 64 4.308 1.454 10.362 1.00 0.00 H new ATOM 953 N TYR A 65 6.753 4.228 6.487 1.00 0.00 N ATOM 954 CA TYR A 65 7.796 4.324 5.471 1.00 0.00 C ATOM 955 C TYR A 65 9.183 4.118 6.039 1.00 0.00 C ATOM 956 O TYR A 65 9.406 4.236 7.244 1.00 0.00 O ATOM 957 CB TYR A 65 7.743 5.694 4.814 1.00 0.00 C ATOM 958 CG TYR A 65 7.342 6.809 5.755 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.061 7.053 6.919 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.245 7.616 5.481 1.00 0.00 C ATOM 961 CE1 TYR A 65 7.699 8.071 7.781 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.876 8.636 6.338 1.00 0.00 C ATOM 963 CZ TYR A 65 6.606 8.859 7.486 1.00 0.00 C ATOM 964 OH TYR A 65 6.242 9.872 8.342 1.00 0.00 O ATOM 0 H TYR A 65 6.702 5.031 7.114 1.00 0.00 H new ATOM 0 HA TYR A 65 7.607 3.532 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.722 5.922 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.038 5.661 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.917 6.437 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.670 7.444 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.269 8.249 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.021 9.255 6.109 1.00 0.00 H new ATOM 0 HH TYR A 65 5.452 10.332 7.988 1.00 0.00 H new ATOM 974 N ASN A 66 10.124 3.863 5.141 1.00 0.00 N ATOM 975 CA ASN A 66 11.517 3.700 5.523 1.00 0.00 C ATOM 976 C ASN A 66 12.350 4.575 4.622 1.00 0.00 C ATOM 977 O ASN A 66 13.520 4.314 4.348 1.00 0.00 O ATOM 978 CB ASN A 66 11.956 2.244 5.432 1.00 0.00 C ATOM 979 CG ASN A 66 12.271 1.640 6.786 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.634 1.962 7.788 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.261 0.755 6.818 1.00 0.00 N ATOM 0 H ASN A 66 9.946 3.765 4.141 1.00 0.00 H new ATOM 0 HA ASN A 66 11.650 3.997 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.169 1.661 4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.837 2.174 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.521 0.312 7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.762 0.519 5.961 1.00 0.00 H new ATOM 988 N ARG A 67 11.685 5.619 4.179 1.00 0.00 N ATOM 989 CA ARG A 67 12.250 6.621 3.286 1.00 0.00 C ATOM 990 C ARG A 67 13.753 6.485 3.175 1.00 0.00 C ATOM 991 O ARG A 67 14.508 6.948 4.031 1.00 0.00 O ATOM 992 CB ARG A 67 11.894 8.013 3.776 1.00 0.00 C ATOM 993 CG ARG A 67 12.001 8.137 5.276 1.00 0.00 C ATOM 994 CD ARG A 67 12.122 9.586 5.719 1.00 0.00 C ATOM 995 NE ARG A 67 12.850 9.714 6.979 1.00 0.00 N ATOM 996 CZ ARG A 67 12.356 9.345 8.155 1.00 0.00 C ATOM 997 NH1 ARG A 67 11.134 8.836 8.231 1.00 0.00 N ATOM 998 NH2 ARG A 67 13.082 9.487 9.256 1.00 0.00 N ATOM 0 H ARG A 67 10.714 5.804 4.432 1.00 0.00 H new ATOM 0 HA ARG A 67 11.824 6.461 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.554 8.741 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.878 8.256 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.123 7.688 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.869 7.577 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.632 10.160 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.126 10.015 5.830 1.00 0.00 H new ATOM 0 HE ARG A 67 13.790 10.109 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.573 8.728 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.755 8.553 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.021 9.880 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.701 9.203 10.158 1.00 0.00 H new ATOM 1012 N VAL A 68 14.169 5.859 2.098 1.00 0.00 N ATOM 1013 CA VAL A 68 15.579 5.654 1.820 1.00 0.00 C ATOM 1014 C VAL A 68 16.074 6.718 0.865 1.00 0.00 C ATOM 1015 O VAL A 68 16.756 6.422 -0.116 1.00 0.00 O ATOM 1016 CB VAL A 68 15.843 4.265 1.205 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.198 3.171 2.045 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.338 4.205 -0.232 1.00 0.00 C ATOM 0 H VAL A 68 13.544 5.477 1.389 1.00 0.00 H new ATOM 0 HA VAL A 68 16.113 5.718 2.768 1.00 0.00 H new ATOM 0 HB VAL A 68 16.920 4.099 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.397 2.200 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.613 3.194 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.122 3.335 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.535 3.216 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.265 4.399 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.852 4.957 -0.830 1.00 0.00 H new ATOM 1028 N THR A 69 15.703 7.958 1.152 1.00 0.00 N ATOM 1029 CA THR A 69 16.080 9.086 0.312 1.00 0.00 C ATOM 1030 C THR A 69 17.191 8.701 -0.648 1.00 0.00 C ATOM 1031 O THR A 69 18.292 8.339 -0.235 1.00 0.00 O ATOM 1032 CB THR A 69 16.520 10.285 1.141 1.00 0.00 C ATOM 1033 OG1 THR A 69 15.428 10.833 1.860 1.00 0.00 O ATOM 1034 CG2 THR A 69 17.116 11.384 0.288 1.00 0.00 C ATOM 0 H THR A 69 15.139 8.209 1.964 1.00 0.00 H new ATOM 0 HA THR A 69 15.193 9.366 -0.257 1.00 0.00 H new ATOM 0 HB THR A 69 17.281 9.913 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.735 11.601 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.414 12.217 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.988 11.001 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.375 11.726 -0.434 1.00 0.00 H new ATOM 1042 N VAL A 70 16.885 8.776 -1.930 1.00 0.00 N ATOM 1043 CA VAL A 70 17.846 8.430 -2.959 1.00 0.00 C ATOM 1044 C VAL A 70 18.242 9.628 -3.789 1.00 0.00 C ATOM 1045 O VAL A 70 18.063 10.779 -3.392 1.00 0.00 O ATOM 1046 CB VAL A 70 17.321 7.343 -3.913 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.330 6.211 -4.024 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.962 6.815 -3.467 1.00 0.00 C ATOM 0 H VAL A 70 15.976 9.074 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 70 18.714 8.049 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 70 17.188 7.793 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.947 5.448 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.272 6.600 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.495 5.773 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.623 6.049 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.048 6.385 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.242 7.633 -3.448 1.00 0.00 H new ATOM 1058 N MET A 71 18.809 9.317 -4.937 1.00 0.00 N ATOM 1059 CA MET A 71 19.286 10.315 -5.873 1.00 0.00 C ATOM 1060 C MET A 71 18.633 11.671 -5.668 1.00 0.00 C ATOM 1061 O MET A 71 17.446 11.769 -5.356 1.00 0.00 O ATOM 1062 CB MET A 71 19.075 9.846 -7.304 1.00 0.00 C ATOM 1063 CG MET A 71 20.252 9.058 -7.831 1.00 0.00 C ATOM 1064 SD MET A 71 20.533 9.308 -9.594 1.00 0.00 S ATOM 1065 CE MET A 71 19.125 8.446 -10.285 1.00 0.00 C ATOM 0 H MET A 71 18.953 8.357 -5.249 1.00 0.00 H new ATOM 0 HA MET A 71 20.352 10.439 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.177 9.230 -7.353 1.00 0.00 H new ATOM 0 HB3 MET A 71 18.903 10.710 -7.945 1.00 0.00 H new ATOM 0 HG2 MET A 71 21.149 9.344 -7.281 1.00 0.00 H new ATOM 0 HG3 MET A 71 20.086 7.997 -7.642 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.439 7.882 -11.164 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.717 7.761 -9.541 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.361 9.168 -10.571 1.00 0.00 H new ATOM 1075 N GLY A 72 19.426 12.715 -5.858 1.00 0.00 N ATOM 1076 CA GLY A 72 18.931 14.063 -5.705 1.00 0.00 C ATOM 1077 C GLY A 72 18.059 14.232 -4.476 1.00 0.00 C ATOM 1078 O GLY A 72 17.268 15.172 -4.394 1.00 0.00 O ATOM 0 H GLY A 72 20.410 12.649 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.775 14.750 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.359 14.338 -6.591 1.00 0.00 H new ATOM 1082 N GLY A 73 18.204 13.325 -3.515 1.00 0.00 N ATOM 1083 CA GLY A 73 17.419 13.403 -2.297 1.00 0.00 C ATOM 1084 C GLY A 73 16.023 12.829 -2.452 1.00 0.00 C ATOM 1085 O GLY A 73 15.097 13.240 -1.752 1.00 0.00 O ATOM 0 H GLY A 73 18.851 12.538 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.939 12.869 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.345 14.445 -1.986 1.00 0.00 H new ATOM 1089 N PHE A 74 15.867 11.871 -3.363 1.00 0.00 N ATOM 1090 CA PHE A 74 14.569 11.241 -3.589 1.00 0.00 C ATOM 1091 C PHE A 74 13.969 10.780 -2.271 1.00 0.00 C ATOM 1092 O PHE A 74 14.517 11.050 -1.203 1.00 0.00 O ATOM 1093 CB PHE A 74 14.706 10.055 -4.546 1.00 0.00 C ATOM 1094 CG PHE A 74 14.822 10.458 -5.989 1.00 0.00 C ATOM 1095 CD1 PHE A 74 13.766 11.076 -6.639 1.00 0.00 C ATOM 1096 CD2 PHE A 74 15.990 10.216 -6.695 1.00 0.00 C ATOM 1097 CE1 PHE A 74 13.872 11.446 -7.965 1.00 0.00 C ATOM 1098 CE2 PHE A 74 16.101 10.586 -8.023 1.00 0.00 C ATOM 1099 CZ PHE A 74 15.041 11.201 -8.659 1.00 0.00 C ATOM 0 H PHE A 74 16.619 11.516 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 74 13.905 11.978 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.585 9.474 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.842 9.402 -4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.849 11.271 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 16.822 9.734 -6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 74 13.041 11.927 -8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 74 17.017 10.394 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 74 15.126 11.490 -9.696 1.00 0.00 H new ATOM 1109 N LYS A 75 12.839 10.089 -2.346 1.00 0.00 N ATOM 1110 CA LYS A 75 12.177 9.603 -1.143 1.00 0.00 C ATOM 1111 C LYS A 75 11.078 8.591 -1.462 1.00 0.00 C ATOM 1112 O LYS A 75 9.987 8.956 -1.900 1.00 0.00 O ATOM 1113 CB LYS A 75 11.593 10.776 -0.359 1.00 0.00 C ATOM 1114 CG LYS A 75 12.563 11.369 0.649 1.00 0.00 C ATOM 1115 CD LYS A 75 11.863 11.737 1.946 1.00 0.00 C ATOM 1116 CE LYS A 75 12.380 13.052 2.502 1.00 0.00 C ATOM 1117 NZ LYS A 75 11.617 13.484 3.707 1.00 0.00 N ATOM 0 H LYS A 75 12.365 9.854 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 75 12.928 9.094 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.286 11.554 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.696 10.444 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.359 10.653 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.034 12.256 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.789 11.811 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.014 10.945 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.434 12.948 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.312 13.823 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.001 14.385 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.615 13.608 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.702 12.761 4.450 1.00 0.00 H new ATOM 1131 N VAL A 76 11.372 7.321 -1.209 1.00 0.00 N ATOM 1132 CA VAL A 76 10.418 6.238 -1.432 1.00 0.00 C ATOM 1133 C VAL A 76 9.756 5.889 -0.144 1.00 0.00 C ATOM 1134 O VAL A 76 9.160 4.821 -0.005 1.00 0.00 O ATOM 1135 CB VAL A 76 11.130 4.967 -1.942 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.653 5.183 -3.353 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.273 4.672 -0.978 1.00 0.00 C ATOM 0 H VAL A 76 12.274 7.013 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 76 9.695 6.579 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 76 10.439 4.124 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.152 4.278 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.821 5.415 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.361 6.012 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.803 3.777 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.962 5.516 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.872 4.511 0.023 1.00 0.00 H new ATOM 1147 N GLU A 77 9.913 6.779 0.812 1.00 0.00 N ATOM 1148 CA GLU A 77 9.378 6.536 2.142 1.00 0.00 C ATOM 1149 C GLU A 77 9.427 5.040 2.323 1.00 0.00 C ATOM 1150 O GLU A 77 8.495 4.414 2.820 1.00 0.00 O ATOM 1151 CB GLU A 77 7.945 7.056 2.249 1.00 0.00 C ATOM 1152 CG GLU A 77 7.343 7.420 0.907 1.00 0.00 C ATOM 1153 CD GLU A 77 5.943 7.987 1.025 1.00 0.00 C ATOM 1154 OE1 GLU A 77 5.129 7.407 1.774 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.660 9.010 0.367 1.00 0.00 O ATOM 0 H GLU A 77 10.400 7.668 0.700 1.00 0.00 H new ATOM 0 HA GLU A 77 9.950 7.052 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.324 6.297 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.930 7.932 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.985 8.149 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.319 6.534 0.273 1.00 0.00 H new ATOM 1162 N ASN A 78 10.523 4.491 1.794 1.00 0.00 N ATOM 1163 CA ASN A 78 10.745 3.064 1.733 1.00 0.00 C ATOM 1164 C ASN A 78 9.598 2.366 2.401 1.00 0.00 C ATOM 1165 O ASN A 78 9.724 1.778 3.476 1.00 0.00 O ATOM 1166 CB ASN A 78 12.069 2.607 2.315 1.00 0.00 C ATOM 1167 CG ASN A 78 12.285 1.173 1.903 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.490 0.886 0.727 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.238 0.265 2.857 1.00 0.00 N ATOM 0 H ASN A 78 11.284 5.040 1.394 1.00 0.00 H new ATOM 0 HA ASN A 78 10.800 2.797 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.883 3.235 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.059 2.695 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.065 0.547 3.822 1.00 0.00 H new ATOM 1174 N HIS A 79 8.462 2.500 1.758 1.00 0.00 N ATOM 1175 CA HIS A 79 7.233 1.957 2.260 1.00 0.00 C ATOM 1176 C HIS A 79 7.438 0.657 3.000 1.00 0.00 C ATOM 1177 O HIS A 79 7.943 -0.326 2.465 1.00 0.00 O ATOM 1178 CB HIS A 79 6.223 1.812 1.136 1.00 0.00 C ATOM 1179 CG HIS A 79 5.851 3.141 0.606 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.890 3.368 -0.340 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.367 4.341 0.928 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.850 4.687 -0.574 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.729 5.327 0.177 1.00 0.00 N ATOM 0 H HIS A 79 8.369 2.991 0.869 1.00 0.00 H new ATOM 0 HA HIS A 79 6.835 2.661 2.991 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.642 1.199 0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.334 1.297 1.501 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.308 2.660 -0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.150 4.513 1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.188 5.163 -1.282 1.00 0.00 H new ATOM 1191 N THR A 80 7.036 0.685 4.246 1.00 0.00 N ATOM 1192 CA THR A 80 7.154 -0.472 5.120 1.00 0.00 C ATOM 1193 C THR A 80 5.774 -1.034 5.446 1.00 0.00 C ATOM 1194 O THR A 80 5.644 -2.158 5.932 1.00 0.00 O ATOM 1195 CB THR A 80 7.904 -0.082 6.389 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.023 0.470 7.350 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.000 0.931 6.125 1.00 0.00 C ATOM 0 H THR A 80 6.618 1.503 4.689 1.00 0.00 H new ATOM 0 HA THR A 80 7.719 -1.253 4.611 1.00 0.00 H new ATOM 0 HB THR A 80 8.352 -1.002 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.596 -0.253 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.503 1.175 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.722 0.512 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.565 1.836 5.701 1.00 0.00 H new ATOM 1205 N ALA A 81 4.748 -0.242 5.152 1.00 0.00 N ATOM 1206 CA ALA A 81 3.369 -0.636 5.380 1.00 0.00 C ATOM 1207 C ALA A 81 2.460 0.308 4.613 1.00 0.00 C ATOM 1208 O ALA A 81 2.718 1.507 4.574 1.00 0.00 O ATOM 1209 CB ALA A 81 3.044 -0.618 6.866 1.00 0.00 C ATOM 0 H ALA A 81 4.853 0.689 4.750 1.00 0.00 H new ATOM 0 HA ALA A 81 3.214 -1.655 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.006 -0.916 7.015 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.700 -1.313 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.192 0.388 7.259 1.00 0.00 H new ATOM 1215 N CYS A 82 1.417 -0.220 3.987 1.00 0.00 N ATOM 1216 CA CYS A 82 0.509 0.621 3.214 1.00 0.00 C ATOM 1217 C CYS A 82 -0.916 0.539 3.745 1.00 0.00 C ATOM 1218 O CYS A 82 -1.359 -0.508 4.216 1.00 0.00 O ATOM 1219 CB CYS A 82 0.539 0.231 1.735 1.00 0.00 C ATOM 1220 SG CYS A 82 0.595 1.655 0.597 1.00 0.00 S ATOM 0 H CYS A 82 1.179 -1.212 3.997 1.00 0.00 H new ATOM 0 HA CYS A 82 0.851 1.651 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.408 -0.401 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.343 -0.368 1.509 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.630 1.656 3.660 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.008 1.722 4.125 1.00 0.00 C ATOM 1227 C HIS A 83 -3.806 2.737 3.311 1.00 0.00 C ATOM 1228 O HIS A 83 -3.514 3.934 3.342 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.048 2.098 5.606 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.507 3.465 5.890 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -3.112 4.353 6.756 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -1.406 4.096 5.418 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.408 5.470 6.802 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.367 5.339 6.000 1.00 0.00 N ATOM 0 H HIS A 83 -1.275 2.530 3.272 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.460 0.739 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.078 2.043 5.959 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.476 1.364 6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.691 3.696 4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.644 6.342 7.394 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.650 6.047 5.839 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.813 2.257 2.587 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.650 3.131 1.771 1.00 0.00 C ATOM 1245 C CYS A 84 -6.369 4.158 2.643 1.00 0.00 C ATOM 1246 O CYS A 84 -7.061 3.798 3.594 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.673 2.308 0.981 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.997 0.783 0.242 1.00 0.00 S ATOM 0 H CYS A 84 -5.069 1.270 2.549 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.005 3.660 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.498 2.043 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.088 2.930 0.188 1.00 0.00 H new ATOM 1253 N SER A 85 -6.198 5.438 2.318 1.00 0.00 N ATOM 1254 CA SER A 85 -6.834 6.509 3.082 1.00 0.00 C ATOM 1255 C SER A 85 -6.854 7.811 2.289 1.00 0.00 C ATOM 1256 O SER A 85 -6.819 7.803 1.059 1.00 0.00 O ATOM 1257 CB SER A 85 -6.104 6.722 4.410 1.00 0.00 C ATOM 1258 OG SER A 85 -5.876 5.490 5.074 1.00 0.00 O ATOM 0 H SER A 85 -5.628 5.758 1.535 1.00 0.00 H new ATOM 0 HA SER A 85 -7.863 6.211 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.152 7.222 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.692 7.379 5.050 1.00 0.00 H new ATOM 0 HG SER A 85 -6.549 4.836 4.790 1.00 0.00 H new ATOM 1264 N THR A 86 -6.910 8.932 3.007 1.00 0.00 N ATOM 1265 CA THR A 86 -6.935 10.248 2.376 1.00 0.00 C ATOM 1266 C THR A 86 -5.625 10.527 1.646 1.00 0.00 C ATOM 1267 O THR A 86 -4.545 10.213 2.146 1.00 0.00 O ATOM 1268 CB THR A 86 -7.183 11.335 3.425 1.00 0.00 C ATOM 1269 OG1 THR A 86 -8.274 10.988 4.258 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.476 12.694 2.824 1.00 0.00 C ATOM 0 H THR A 86 -6.939 8.954 4.026 1.00 0.00 H new ATOM 0 HA THR A 86 -7.747 10.258 1.649 1.00 0.00 H new ATOM 0 HB THR A 86 -6.257 11.402 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.416 11.694 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.642 13.417 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.630 13.013 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.368 12.631 2.200 1.00 0.00 H new ATOM 1278 N CYS A 87 -5.730 11.121 0.463 1.00 0.00 N ATOM 1279 CA CYS A 87 -4.555 11.446 -0.337 1.00 0.00 C ATOM 1280 C CYS A 87 -4.957 12.167 -1.617 1.00 0.00 C ATOM 1281 O CYS A 87 -6.139 12.408 -1.860 1.00 0.00 O ATOM 1282 CB CYS A 87 -3.767 10.180 -0.679 1.00 0.00 C ATOM 1283 SG CYS A 87 -4.672 8.628 -0.378 1.00 0.00 S ATOM 0 H CYS A 87 -6.617 11.388 0.036 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.920 12.107 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.477 10.220 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.847 10.170 -0.094 1.00 0.00 H new ATOM 1288 N TYR A 88 -3.965 12.507 -2.432 1.00 0.00 N ATOM 1289 CA TYR A 88 -4.217 13.202 -3.687 1.00 0.00 C ATOM 1290 C TYR A 88 -5.383 12.569 -4.437 1.00 0.00 C ATOM 1291 O TYR A 88 -5.375 11.372 -4.726 1.00 0.00 O ATOM 1292 CB TYR A 88 -2.965 13.193 -4.564 1.00 0.00 C ATOM 1293 CG TYR A 88 -2.387 14.569 -4.797 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -3.184 15.604 -5.272 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -1.049 14.835 -4.540 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -2.662 16.865 -5.484 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -0.520 16.095 -4.748 1.00 0.00 C ATOM 1298 CZ TYR A 88 -1.330 17.106 -5.220 1.00 0.00 C ATOM 1299 OH TYR A 88 -0.809 18.362 -5.428 1.00 0.00 O ATOM 0 H TYR A 88 -2.981 12.313 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.478 14.234 -3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.208 12.563 -4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.207 12.741 -5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.228 15.419 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.411 14.045 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.294 17.659 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.523 16.287 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 88 0.142 18.365 -5.193 1.00 0.00 H new ATOM 1309 N TYR A 89 -6.384 13.384 -4.748 1.00 0.00 N ATOM 1310 CA TYR A 89 -7.561 12.915 -5.466 1.00 0.00 C ATOM 1311 C TYR A 89 -7.458 13.263 -6.948 1.00 0.00 C ATOM 1312 O TYR A 89 -7.321 12.381 -7.796 1.00 0.00 O ATOM 1313 CB TYR A 89 -8.825 13.535 -4.866 1.00 0.00 C ATOM 1314 CG TYR A 89 -10.086 13.201 -5.629 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -10.436 11.881 -5.886 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -10.928 14.205 -6.089 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -11.589 11.572 -6.582 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -12.082 13.904 -6.785 1.00 0.00 C ATOM 1319 CZ TYR A 89 -12.409 12.587 -7.029 1.00 0.00 C ATOM 1320 OH TYR A 89 -13.558 12.284 -7.722 1.00 0.00 O ATOM 0 H TYR A 89 -6.403 14.376 -4.513 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.618 11.831 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.933 13.194 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.707 14.618 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.797 11.084 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.676 15.238 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.847 10.541 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.726 14.697 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 89 -14.022 13.112 -7.964 1.00 0.00 H new ATOM 1330 N HIS A 90 -7.519 14.555 -7.248 1.00 0.00 N ATOM 1331 CA HIS A 90 -7.427 15.031 -8.624 1.00 0.00 C ATOM 1332 C HIS A 90 -7.452 16.556 -8.681 1.00 0.00 C ATOM 1333 O HIS A 90 -7.713 17.141 -9.733 1.00 0.00 O ATOM 1334 CB HIS A 90 -8.569 14.460 -9.465 1.00 0.00 C ATOM 1335 CG HIS A 90 -8.135 13.394 -10.425 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -8.821 13.102 -11.585 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -7.075 12.549 -10.395 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -8.207 12.122 -12.224 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -7.144 11.771 -11.523 1.00 0.00 N ATOM 0 H HIS A 90 -7.632 15.294 -6.555 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.477 14.687 -9.033 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.329 14.050 -8.800 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.038 15.270 -10.023 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.318 12.498 -9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.521 11.683 -13.160 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.481 11.039 -11.779 1.00 0.00 H new ATOM 1348 N LYS A 91 -7.180 17.198 -7.547 1.00 0.00 N ATOM 1349 CA LYS A 91 -7.174 18.655 -7.478 1.00 0.00 C ATOM 1350 C LYS A 91 -6.519 19.151 -6.188 1.00 0.00 C ATOM 1351 O LYS A 91 -6.572 20.340 -5.876 1.00 0.00 O ATOM 1352 CB LYS A 91 -8.603 19.194 -7.573 1.00 0.00 C ATOM 1353 CG LYS A 91 -8.757 20.332 -8.569 1.00 0.00 C ATOM 1354 CD LYS A 91 -8.318 21.658 -7.971 1.00 0.00 C ATOM 1355 CE LYS A 91 -9.264 22.114 -6.872 1.00 0.00 C ATOM 1356 NZ LYS A 91 -8.536 22.457 -5.620 1.00 0.00 N ATOM 0 H LYS A 91 -6.962 16.732 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.589 19.025 -8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.271 18.381 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.919 19.538 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.166 20.120 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.798 20.401 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.310 21.560 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.276 22.415 -8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.826 22.983 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.988 21.326 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.184 22.383 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.742 21.799 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.173 23.429 -5.685 1.00 0.00 H new ATOM 1370 N SER A 92 -5.897 18.239 -5.445 1.00 0.00 N ATOM 1371 CA SER A 92 -5.234 18.596 -4.196 1.00 0.00 C ATOM 1372 C SER A 92 -6.243 18.733 -3.059 1.00 0.00 C ATOM 1373 O SER A 92 -5.810 18.860 -1.895 1.00 0.00 O ATOM 1374 CB SER A 92 -4.456 19.900 -4.363 1.00 0.00 C ATOM 1375 OG SER A 92 -3.236 19.861 -3.644 1.00 0.00 O ATOM 1376 OXT SER A 92 -7.460 18.713 -3.344 1.00 0.00 O ATOM 0 H SER A 92 -5.839 17.250 -5.686 1.00 0.00 H new ATOM 0 HA SER A 92 -4.539 17.795 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.254 20.074 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.062 20.736 -4.013 1.00 0.00 H new ATOM 0 HG SER A 92 -2.718 19.076 -3.921 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.280 -1.130 2.511 1.00 0.00 C HETATM 1384 C2 NAG A 178 13.609 -1.728 2.948 1.00 0.00 C HETATM 1385 C3 NAG A 178 13.626 -3.227 2.712 1.00 0.00 C HETATM 1386 C4 NAG A 178 12.410 -3.876 3.341 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.137 -3.196 2.869 1.00 0.00 C HETATM 1388 C6 NAG A 178 9.901 -3.741 3.557 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.688 -0.518 2.812 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.789 0.065 1.944 1.00 0.00 C HETATM 1391 N2 NAG A 178 14.685 -1.125 2.188 1.00 0.00 N HETATM 1392 O3 NAG A 178 14.800 -3.776 3.290 1.00 0.00 O HETATM 1393 O4 NAG A 178 12.363 -5.266 2.968 1.00 0.00 O HETATM 1394 O5 NAG A 178 11.177 -1.792 3.146 1.00 0.00 O HETATM 1395 O6 NAG A 178 8.730 -3.069 3.120 1.00 0.00 O HETATM 1396 O7 NAG A 178 15.752 -0.416 4.036 1.00 0.00 O HETATM 0 HO6 NAG A 178 8.927 -2.117 2.993 1.00 0.00 H new HETATM 0 HO3 NAG A 178 14.562 -4.553 3.838 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.672 -1.167 1.169 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.249 -0.730 1.357 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.366 0.813 1.274 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.544 0.531 2.578 1.00 0.00 H new HETATM 0 H62 NAG A 178 9.809 -4.808 3.352 1.00 0.00 H new HETATM 0 H61 NAG A 178 10.005 -3.631 4.636 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.080 -3.390 1.798 1.00 0.00 H new HETATM 0 H4 NAG A 178 12.485 -3.778 4.424 1.00 0.00 H new HETATM 0 H3 NAG A 178 13.611 -3.416 1.639 1.00 0.00 H new HETATM 0 H2 NAG A 178 13.741 -1.532 4.012 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.198 -6.161 4.008 1.00 0.00 C HETATM 1411 C2 NAG A 179 11.976 -7.560 3.459 1.00 0.00 C HETATM 1412 C3 NAG A 179 11.890 -8.557 4.589 1.00 0.00 C HETATM 1413 C4 NAG A 179 13.106 -8.451 5.485 1.00 0.00 C HETATM 1414 C5 NAG A 179 13.331 -7.019 5.942 1.00 0.00 C HETATM 1415 C6 NAG A 179 14.642 -6.852 6.682 1.00 0.00 C HETATM 1416 C7 NAG A 179 10.631 -6.960 1.544 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.359 -7.183 0.743 1.00 0.00 C HETATM 1418 N2 NAG A 179 10.738 -7.597 2.705 1.00 0.00 N HETATM 1419 O3 NAG A 179 11.824 -9.869 4.051 1.00 0.00 O HETATM 1420 O4 NAG A 179 12.891 -9.262 6.646 1.00 0.00 O HETATM 1421 O5 NAG A 179 13.375 -6.107 4.824 1.00 0.00 O HETATM 1422 O6 NAG A 179 14.685 -7.666 7.845 1.00 0.00 O HETATM 1423 O7 NAG A 179 11.509 -6.217 1.104 1.00 0.00 O HETATM 0 HO6 NAG A 179 15.543 -7.539 8.302 1.00 0.00 H new HETATM 0 HO3 NAG A 179 12.356 -10.477 4.605 1.00 0.00 H new HETATM 0 HN2 NAG A 179 9.941 -8.118 3.070 1.00 0.00 H new HETATM 0 H83 NAG A 179 9.261 -8.242 0.503 1.00 0.00 H new HETATM 0 H82 NAG A 179 8.498 -6.863 1.330 1.00 0.00 H new HETATM 0 H81 NAG A 179 9.404 -6.605 -0.180 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.470 -7.112 6.023 1.00 0.00 H new HETATM 0 H61 NAG A 179 14.774 -5.807 6.962 1.00 0.00 H new HETATM 0 H5 NAG A 179 12.492 -6.794 6.600 1.00 0.00 H new HETATM 0 H4 NAG A 179 13.979 -8.783 4.922 1.00 0.00 H new HETATM 0 H3 NAG A 179 10.997 -8.344 5.177 1.00 0.00 H new HETATM 0 H2 NAG A 179 12.815 -7.818 2.812 1.00 0.00 H new HETATM 1437 C1 BMA A 180 13.845 -10.218 6.907 1.00 0.00 C HETATM 1438 C2 BMA A 180 13.751 -10.626 8.363 1.00 0.00 C HETATM 1439 C3 BMA A 180 14.715 -11.763 8.658 1.00 0.00 C HETATM 1440 C4 BMA A 180 14.521 -12.899 7.667 1.00 0.00 C HETATM 1441 C5 BMA A 180 14.570 -12.379 6.237 1.00 0.00 C HETATM 1442 C6 BMA A 180 14.243 -13.449 5.217 1.00 0.00 C HETATM 1443 O2 BMA A 180 12.425 -11.051 8.642 1.00 0.00 O HETATM 1444 O3 BMA A 180 14.471 -12.257 9.987 1.00 0.00 O HETATM 1445 O4 BMA A 180 15.554 -13.854 7.848 1.00 0.00 O HETATM 1446 O5 BMA A 180 13.615 -11.325 6.034 1.00 0.00 O HETATM 1447 O6 BMA A 180 13.973 -12.839 3.942 1.00 0.00 O HETATM 0 HO4 BMA A 180 15.277 -14.712 7.465 1.00 0.00 H new HETATM 0 HO2 BMA A 180 12.449 -11.823 9.245 1.00 0.00 H new HETATM 0 H62 BMA A 180 15.076 -14.146 5.128 1.00 0.00 H new HETATM 0 H61 BMA A 180 13.378 -14.026 5.545 1.00 0.00 H new HETATM 0 H5 BMA A 180 15.592 -12.027 6.098 1.00 0.00 H new HETATM 0 H4 BMA A 180 13.547 -13.355 7.842 1.00 0.00 H new HETATM 0 H3 BMA A 180 15.735 -11.388 8.573 1.00 0.00 H new HETATM 0 H2 BMA A 180 14.011 -9.772 8.989 1.00 0.00 H new HETATM 1457 C1 MAN A 181 15.502 -12.033 10.902 1.00 0.00 C HETATM 1458 C2 MAN A 181 15.141 -12.713 12.214 1.00 0.00 C HETATM 1459 C3 MAN A 181 13.971 -12.009 12.887 1.00 0.00 C HETATM 1460 C4 MAN A 181 14.249 -10.522 13.017 1.00 0.00 C HETATM 1461 C5 MAN A 181 14.622 -9.929 11.667 1.00 0.00 C HETATM 1462 C6 MAN A 181 15.037 -8.475 11.767 1.00 0.00 C HETATM 1463 O2 MAN A 181 16.280 -12.669 13.090 1.00 0.00 O HETATM 1464 O3 MAN A 181 13.775 -12.563 14.180 1.00 0.00 O HETATM 1465 O4 MAN A 181 13.083 -9.873 13.507 1.00 0.00 O HETATM 1466 O5 MAN A 181 15.733 -10.638 11.088 1.00 0.00 O HETATM 1467 O6 MAN A 181 16.145 -8.312 12.640 1.00 0.00 O HETATM 0 HO6 MAN A 181 16.717 -9.107 12.595 1.00 0.00 H new HETATM 0 HO4 MAN A 181 13.329 -9.006 13.893 1.00 0.00 H new HETATM 0 HO3 MAN A 181 14.286 -13.395 14.260 1.00 0.00 H new HETATM 0 H62 MAN A 181 15.294 -8.099 10.777 1.00 0.00 H new HETATM 0 H61 MAN A 181 14.198 -7.879 12.126 1.00 0.00 H new HETATM 0 H5 MAN A 181 13.727 -10.015 11.051 1.00 0.00 H new HETATM 0 H4 MAN A 181 15.081 -10.376 13.706 1.00 0.00 H new HETATM 0 H3 MAN A 181 13.077 -12.148 12.279 1.00 0.00 H new HETATM 0 H2 MAN A 181 14.855 -13.744 12.007 1.00 0.00 H new HETATM 1478 C1 MAN A 182 14.623 -13.506 2.902 1.00 0.00 C HETATM 1479 C2 MAN A 182 14.313 -12.793 1.594 1.00 0.00 C HETATM 1480 C3 MAN A 182 12.852 -12.966 1.219 1.00 0.00 C HETATM 1481 C4 MAN A 182 12.496 -14.441 1.188 1.00 0.00 C HETATM 1482 C5 MAN A 182 12.851 -15.100 2.512 1.00 0.00 C HETATM 1483 C6 MAN A 182 12.649 -16.602 2.476 1.00 0.00 C HETATM 1484 O2 MAN A 182 15.120 -13.373 0.564 1.00 0.00 O HETATM 1485 O3 MAN A 182 12.633 -12.402 -0.066 1.00 0.00 O HETATM 1486 O4 MAN A 182 11.102 -14.583 0.951 1.00 0.00 O HETATM 1487 O5 MAN A 182 14.236 -14.879 2.845 1.00 0.00 O HETATM 1488 O6 MAN A 182 11.304 -16.933 2.170 1.00 0.00 O HETATM 0 HO6 MAN A 182 11.203 -17.908 2.152 1.00 0.00 H new HETATM 0 HO4 MAN A 182 10.782 -15.411 1.366 1.00 0.00 H new HETATM 0 HO3 MAN A 182 13.454 -12.469 -0.597 1.00 0.00 H new HETATM 0 H62 MAN A 182 13.313 -17.043 1.732 1.00 0.00 H new HETATM 0 H61 MAN A 182 12.921 -17.031 3.440 1.00 0.00 H new HETATM 0 H5 MAN A 182 12.189 -14.649 3.251 1.00 0.00 H new HETATM 0 H4 MAN A 182 13.061 -14.924 0.391 1.00 0.00 H new HETATM 0 H3 MAN A 182 12.227 -12.464 1.958 1.00 0.00 H new HETATM 0 H2 MAN A 182 14.523 -11.730 1.709 1.00 0.00 H new HETATM 1499 C1 NAG A 183 16.278 -12.706 0.209 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.131 -13.667 -0.620 1.00 0.00 C HETATM 1501 C3 NAG A 183 18.365 -12.961 -1.146 1.00 0.00 C HETATM 1502 C4 NAG A 183 17.970 -11.704 -1.891 1.00 0.00 C HETATM 1503 C5 NAG A 183 17.075 -10.834 -1.021 1.00 0.00 C HETATM 1504 C6 NAG A 183 16.556 -9.614 -1.753 1.00 0.00 C HETATM 1505 C7 NAG A 183 18.192 -14.536 1.355 1.00 0.00 C HETATM 1506 C8 NAG A 183 18.395 -15.708 2.300 1.00 0.00 C HETATM 1507 N2 NAG A 183 17.534 -14.772 0.225 1.00 0.00 N HETATM 1508 O3 NAG A 183 19.059 -13.831 -2.027 1.00 0.00 O HETATM 1509 O4 NAG A 183 19.161 -10.972 -2.236 1.00 0.00 O HETATM 1510 O5 NAG A 183 15.922 -11.573 -0.577 1.00 0.00 O HETATM 1511 O6 NAG A 183 15.702 -8.841 -0.923 1.00 0.00 O HETATM 1512 O7 NAG A 183 18.627 -13.424 1.654 1.00 0.00 O HETATM 0 HO6 NAG A 183 15.258 -9.427 -0.275 1.00 0.00 H new HETATM 0 HO3 NAG A 183 19.220 -13.374 -2.879 1.00 0.00 H new HETATM 0 HN2 NAG A 183 17.313 -15.730 -0.047 1.00 0.00 H new HETATM 0 H83 NAG A 183 17.425 -16.101 2.606 1.00 0.00 H new HETATM 0 H82 NAG A 183 18.960 -16.490 1.793 1.00 0.00 H new HETATM 0 H81 NAG A 183 18.945 -15.375 3.180 1.00 0.00 H new HETATM 0 H62 NAG A 183 17.395 -9.002 -2.086 1.00 0.00 H new HETATM 0 H61 NAG A 183 16.014 -9.926 -2.646 1.00 0.00 H new HETATM 0 H5 NAG A 183 17.698 -10.520 -0.183 1.00 0.00 H new HETATM 0 H4 NAG A 183 17.423 -11.977 -2.793 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.006 -12.689 -0.308 1.00 0.00 H new HETATM 0 H2 NAG A 183 16.549 -14.028 -1.468 1.00 0.00 H new HETATM 1526 C1 NAG A 184 16.708 -13.889 13.579 1.00 0.00 C HETATM 1527 C2 NAG A 184 17.821 -13.670 14.604 1.00 0.00 C HETATM 1528 C3 NAG A 184 18.226 -14.994 15.230 1.00 0.00 C HETATM 1529 C4 NAG A 184 17.008 -15.716 15.776 1.00 0.00 C HETATM 1530 C5 NAG A 184 15.927 -15.825 14.710 1.00 0.00 C HETATM 1531 C6 NAG A 184 14.642 -16.423 15.246 1.00 0.00 C HETATM 1532 C7 NAG A 184 20.029 -12.681 14.635 1.00 0.00 C HETATM 1533 C8 NAG A 184 21.173 -12.044 13.861 1.00 0.00 C HETATM 1534 N2 NAG A 184 18.968 -13.078 13.937 1.00 0.00 N HETATM 1535 O3 NAG A 184 19.138 -14.753 16.291 1.00 0.00 O HETATM 1536 O4 NAG A 184 17.395 -17.041 16.191 1.00 0.00 O HETATM 1537 O5 NAG A 184 15.589 -14.530 14.186 1.00 0.00 O HETATM 1538 O6 NAG A 184 14.849 -17.739 15.736 1.00 0.00 O HETATM 1539 O7 NAG A 184 20.109 -12.801 15.856 1.00 0.00 O HETATM 0 HO6 NAG A 184 15.811 -17.914 15.808 1.00 0.00 H new HETATM 0 HO3 NAG A 184 19.242 -13.787 16.420 1.00 0.00 H new HETATM 0 HN2 NAG A 184 18.960 -12.966 12.923 1.00 0.00 H new HETATM 0 H83 NAG A 184 21.557 -12.754 13.128 1.00 0.00 H new HETATM 0 H82 NAG A 184 20.813 -11.152 13.348 1.00 0.00 H new HETATM 0 H81 NAG A 184 21.970 -11.768 14.551 1.00 0.00 H new HETATM 0 H62 NAG A 184 14.251 -15.793 16.045 1.00 0.00 H new HETATM 0 H61 NAG A 184 13.890 -16.441 14.457 1.00 0.00 H new HETATM 0 H5 NAG A 184 16.344 -16.472 13.938 1.00 0.00 H new HETATM 0 H4 NAG A 184 16.613 -15.152 16.621 1.00 0.00 H new HETATM 0 H3 NAG A 184 18.695 -15.615 14.467 1.00 0.00 H new HETATM 0 H2 NAG A 184 17.462 -13.005 15.390 1.00 0.00 H new HETATM 1553 C1 GAL A 185 17.631 -17.225 17.546 1.00 0.00 C HETATM 1554 C2 GAL A 185 16.310 -17.212 18.312 1.00 0.00 C HETATM 1555 C3 GAL A 185 16.542 -17.545 19.775 1.00 0.00 C HETATM 1556 C4 GAL A 185 17.328 -18.837 19.909 1.00 0.00 C HETATM 1557 C5 GAL A 185 18.601 -18.778 19.077 1.00 0.00 C HETATM 1558 C6 GAL A 185 19.357 -20.090 19.083 1.00 0.00 C HETATM 1559 O2 GAL A 185 15.725 -15.922 18.221 1.00 0.00 O HETATM 1560 O3 GAL A 185 15.289 -17.694 20.426 1.00 0.00 O HETATM 1561 O4 GAL A 185 16.526 -19.918 19.455 1.00 0.00 O HETATM 1562 O5 GAL A 185 18.304 -18.480 17.700 1.00 0.00 O HETATM 1563 O6 GAL A 185 20.510 -20.022 18.256 1.00 0.00 O HETATM 0 HO6 GAL A 185 20.380 -19.334 17.570 1.00 0.00 H new HETATM 0 HO4 GAL A 185 16.685 -20.064 18.499 1.00 0.00 H new HETATM 0 HO3 GAL A 185 15.026 -18.638 20.416 1.00 0.00 H new HETATM 0 HO2 GAL A 185 14.876 -15.912 18.711 1.00 0.00 H new HETATM 0 H62 GAL A 185 19.652 -20.338 20.103 1.00 0.00 H new HETATM 0 H61 GAL A 185 18.704 -20.891 18.736 1.00 0.00 H new HETATM 0 H5 GAL A 185 19.210 -17.996 19.531 1.00 0.00 H new HETATM 0 H4 GAL A 185 17.598 -18.978 20.956 1.00 0.00 H new HETATM 0 H3 GAL A 185 17.111 -16.736 20.233 1.00 0.00 H new HETATM 0 H2 GAL A 185 15.646 -17.958 17.876 1.00 0.00 H new HETATM 1575 C1 GAL A 186 19.355 -10.733 -3.586 1.00 0.00 C HETATM 1576 C2 GAL A 186 20.750 -10.162 -3.810 1.00 0.00 C HETATM 1577 C3 GAL A 186 21.027 -10.000 -5.294 1.00 0.00 C HETATM 1578 C4 GAL A 186 20.753 -11.298 -6.034 1.00 0.00 C HETATM 1579 C5 GAL A 186 19.358 -11.815 -5.710 1.00 0.00 C HETATM 1580 C6 GAL A 186 19.083 -13.169 -6.333 1.00 0.00 C HETATM 1581 O2 GAL A 186 20.841 -8.894 -3.179 1.00 0.00 O HETATM 1582 O3 GAL A 186 22.387 -9.638 -5.477 1.00 0.00 O HETATM 1583 O4 GAL A 186 21.711 -12.268 -5.640 1.00 0.00 O HETATM 1584 O5 GAL A 186 19.182 -11.971 -4.288 1.00 0.00 O HETATM 1585 O6 GAL A 186 19.177 -13.110 -7.749 1.00 0.00 O HETATM 0 HO6 GAL A 186 18.997 -13.996 -8.126 1.00 0.00 H new HETATM 0 HO4 GAL A 186 21.367 -12.775 -4.875 1.00 0.00 H new HETATM 0 HO3 GAL A 186 22.930 -10.447 -5.582 1.00 0.00 H new HETATM 0 HO2 GAL A 186 20.222 -8.861 -2.420 1.00 0.00 H new HETATM 0 H62 GAL A 186 19.794 -13.901 -5.949 1.00 0.00 H new HETATM 0 H61 GAL A 186 18.088 -13.510 -6.046 1.00 0.00 H new HETATM 0 H5 GAL A 186 18.671 -11.073 -6.117 1.00 0.00 H new HETATM 0 H4 GAL A 186 20.820 -11.113 -7.106 1.00 0.00 H new HETATM 0 H3 GAL A 186 20.373 -9.224 -5.691 1.00 0.00 H new HETATM 0 H2 GAL A 186 21.484 -10.848 -3.387 1.00 0.00 H new