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 183 NAG O6 : rot 107:sc= 0.85 USER MOD Set 1.2: A 186 GAL O6 : rot 180:sc= 0 USER MOD Set 2.1: A 184 NAG O3 : rot -169:sc=-0.00224 USER MOD Set 2.2: A 185 GAL O2 : rot 180:sc=0.000909 USER MOD Set 3.1: A 183 NAG O3 : rot -149:sc= -1.03 USER MOD Set 3.2: A 186 GAL O2 : rot 180:sc= 0.0161 USER MOD Set 4.1: A 85 SER OG : rot -120:sc= 0.875 USER MOD Set 4.2: A 91 LYS NZ :NH3+ -147:sc= 1.02 (180deg=0) USER MOD Set 5.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 54 THR OG1 : rot 27:sc= -1.35! USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0687 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0418! USER MOD Single : A 13 GLN : amide:sc= -2.79! C(o=-2.8!,f=-4!) USER MOD Single : A 15 ASN : amide:sc= -17.9! C(o=-18!,f=-14!) USER MOD Single : A 19 SER OG : rot 96:sc= -0.941! USER MOD Single : A 20 GLN : amide:sc= -6.08! C(o=-6.1!,f=-19!) USER MOD Single : A 27 GLN : amide:sc= -0.889 K(o=-0.89,f=-0.1) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.0351 USER MOD Single : A 43 SER OG : rot 180:sc= -1.55! USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -0.221 (180deg=-0.467) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -176:sc= -0.456 (180deg=-0.485) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 62:sc= -0.514! USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.156 (180deg=-1.08) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.3) USER MOD Single : A 69 THR OG1 : rot -52:sc= 0.291 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -28.5! C(o=-28!,f=-34!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -4.32! USER MOD Single : A 83 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-1.4) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.58) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 134:sc= 0.0738 USER MOD Single : A 178 NAG O6 : rot -24:sc= 0.0297 USER MOD Single : A 179 NAG O3 : rot 147:sc= 0.371 USER MOD Single : A 179 NAG O6 : rot -31:sc= 0.0789 USER MOD Single : A 180 BMA O2 : rot 28:sc= -7.62! USER MOD Single : A 180 BMA O4 : rot 28:sc= -1.94 USER MOD Single : A 181 MAN O3 : rot -30:sc= 1.2 USER MOD Single : A 181 MAN O4 : rot -148:sc= 1.09 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.93 USER MOD Single : A 182 MAN O3 : rot 38:sc= 0.0596 USER MOD Single : A 182 MAN O4 : rot -151:sc= 0.904 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.792 USER MOD Single : A 184 NAG O6 : rot -29:sc= 0.0419 USER MOD Single : A 185 GAL O3 : rot 94:sc= 0.0902 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0989 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 93:sc= 0.0701 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0527 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.348 -13.803 -9.911 1.00 0.00 N ATOM 2 CA ALA A 1 -2.803 -15.072 -10.460 1.00 0.00 C ATOM 3 C ALA A 1 -3.884 -15.862 -11.192 1.00 0.00 C ATOM 4 O ALA A 1 -5.077 -15.637 -10.993 1.00 0.00 O ATOM 5 CB ALA A 1 -2.199 -15.912 -9.346 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.932 -12.997 -10.420 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.381 -13.790 -10.027 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.113 -13.732 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.021 -14.823 -11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.804 -16.839 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.393 -15.356 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.967 -16.144 -8.608 1.00 0.00 H new ATOM 13 N PRO A 2 -3.470 -16.799 -12.058 1.00 0.00 N ATOM 14 CA PRO A 2 -4.398 -17.630 -12.833 1.00 0.00 C ATOM 15 C PRO A 2 -5.281 -18.497 -11.943 1.00 0.00 C ATOM 16 O PRO A 2 -5.030 -19.691 -11.778 1.00 0.00 O ATOM 17 CB PRO A 2 -3.477 -18.510 -13.688 1.00 0.00 C ATOM 18 CG PRO A 2 -2.155 -17.821 -13.677 1.00 0.00 C ATOM 19 CD PRO A 2 -2.066 -17.118 -12.353 1.00 0.00 C ATOM 0 HA PRO A 2 -5.088 -17.022 -13.419 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.400 -19.516 -13.276 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.860 -18.610 -14.704 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.341 -18.536 -13.794 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.078 -17.112 -14.501 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.626 -17.755 -11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.451 -16.220 -12.413 1.00 0.00 H new ATOM 27 N ASP A 3 -6.315 -17.888 -11.375 1.00 0.00 N ATOM 28 CA ASP A 3 -7.240 -18.604 -10.503 1.00 0.00 C ATOM 29 C ASP A 3 -6.612 -18.874 -9.139 1.00 0.00 C ATOM 30 O ASP A 3 -6.688 -19.987 -8.618 1.00 0.00 O ATOM 31 CB ASP A 3 -7.669 -19.923 -11.148 1.00 0.00 C ATOM 32 CG ASP A 3 -7.832 -19.808 -12.651 1.00 0.00 C ATOM 33 OD1 ASP A 3 -7.784 -18.672 -13.168 1.00 0.00 O ATOM 34 OD2 ASP A 3 -8.007 -20.854 -13.311 1.00 0.00 O ATOM 0 H ASP A 3 -6.535 -16.900 -11.502 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.118 -17.974 -10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.929 -20.691 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.611 -20.250 -10.708 1.00 0.00 H new ATOM 39 N VAL A 4 -5.995 -17.849 -8.565 1.00 0.00 N ATOM 40 CA VAL A 4 -5.357 -17.973 -7.259 1.00 0.00 C ATOM 41 C VAL A 4 -5.709 -16.792 -6.365 1.00 0.00 C ATOM 42 O VAL A 4 -4.854 -15.966 -6.046 1.00 0.00 O ATOM 43 CB VAL A 4 -3.826 -18.064 -7.384 1.00 0.00 C ATOM 44 CG1 VAL A 4 -3.192 -18.258 -6.016 1.00 0.00 C ATOM 45 CG2 VAL A 4 -3.430 -19.190 -8.328 1.00 0.00 C ATOM 0 H VAL A 4 -5.922 -16.921 -8.983 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.732 -18.894 -6.812 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.458 -17.127 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.109 -18.320 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.446 -17.414 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.566 -19.179 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.344 -19.237 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.809 -20.137 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.853 -19.003 -9.315 1.00 0.00 H new ATOM 55 N GLN A 5 -6.974 -16.714 -5.965 1.00 0.00 N ATOM 56 CA GLN A 5 -7.438 -15.630 -5.110 1.00 0.00 C ATOM 57 C GLN A 5 -7.395 -14.298 -5.852 1.00 0.00 C ATOM 58 O GLN A 5 -6.394 -13.962 -6.486 1.00 0.00 O ATOM 59 CB GLN A 5 -6.582 -15.549 -3.845 1.00 0.00 C ATOM 60 CG GLN A 5 -7.301 -16.022 -2.592 1.00 0.00 C ATOM 61 CD GLN A 5 -6.961 -17.453 -2.227 1.00 0.00 C ATOM 62 OE1 GLN A 5 -7.826 -18.329 -2.231 1.00 0.00 O ATOM 63 NE2 GLN A 5 -5.697 -17.697 -1.906 1.00 0.00 N ATOM 0 H GLN A 5 -7.695 -17.389 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.471 -15.837 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.683 -16.149 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.258 -14.518 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.041 -15.368 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.377 -15.935 -2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.013 -16.940 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.409 -18.641 -1.649 1.00 0.00 H new ATOM 72 N ASP A 6 -8.486 -13.543 -5.772 1.00 0.00 N ATOM 73 CA ASP A 6 -8.568 -12.249 -6.440 1.00 0.00 C ATOM 74 C ASP A 6 -7.360 -11.382 -6.098 1.00 0.00 C ATOM 75 O ASP A 6 -6.415 -11.841 -5.459 1.00 0.00 O ATOM 76 CB ASP A 6 -9.858 -11.530 -6.043 1.00 0.00 C ATOM 77 CG ASP A 6 -10.976 -11.759 -7.042 1.00 0.00 C ATOM 78 OD1 ASP A 6 -10.826 -12.650 -7.906 1.00 0.00 O ATOM 79 OD2 ASP A 6 -12.000 -11.050 -6.960 1.00 0.00 O ATOM 0 H ASP A 6 -9.324 -13.804 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.573 -12.422 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.176 -11.876 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.664 -10.461 -5.957 1.00 0.00 H new ATOM 84 N CYS A 7 -7.398 -10.125 -6.532 1.00 0.00 N ATOM 85 CA CYS A 7 -6.305 -9.195 -6.275 1.00 0.00 C ATOM 86 C CYS A 7 -5.708 -9.424 -4.891 1.00 0.00 C ATOM 87 O CYS A 7 -6.423 -9.443 -3.889 1.00 0.00 O ATOM 88 CB CYS A 7 -6.797 -7.752 -6.392 1.00 0.00 C ATOM 89 SG CYS A 7 -5.680 -6.660 -7.332 1.00 0.00 S ATOM 0 H CYS A 7 -8.174 -9.728 -7.063 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.530 -9.372 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.776 -7.751 -6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.931 -7.342 -5.391 1.00 0.00 H new ATOM 94 N PRO A 8 -4.380 -9.597 -4.819 1.00 0.00 N ATOM 95 CA PRO A 8 -3.676 -9.822 -3.553 1.00 0.00 C ATOM 96 C PRO A 8 -3.876 -8.669 -2.574 1.00 0.00 C ATOM 97 O PRO A 8 -4.812 -7.882 -2.709 1.00 0.00 O ATOM 98 CB PRO A 8 -2.202 -9.928 -3.965 1.00 0.00 C ATOM 99 CG PRO A 8 -2.229 -10.246 -5.422 1.00 0.00 C ATOM 100 CD PRO A 8 -3.461 -9.584 -5.968 1.00 0.00 C ATOM 0 HA PRO A 8 -4.045 -10.708 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.671 -8.995 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.690 -10.707 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.333 -9.874 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.260 -11.323 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.256 -8.569 -6.310 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.870 -10.130 -6.818 1.00 0.00 H new ATOM 108 N GLU A 9 -2.992 -8.579 -1.586 1.00 0.00 N ATOM 109 CA GLU A 9 -3.073 -7.526 -0.580 1.00 0.00 C ATOM 110 C GLU A 9 -2.010 -6.458 -0.813 1.00 0.00 C ATOM 111 O GLU A 9 -0.846 -6.770 -1.067 1.00 0.00 O ATOM 112 CB GLU A 9 -2.905 -8.117 0.820 1.00 0.00 C ATOM 113 CG GLU A 9 -3.496 -7.251 1.920 1.00 0.00 C ATOM 114 CD GLU A 9 -2.939 -7.588 3.288 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.388 -8.592 3.880 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.054 -6.849 3.768 1.00 0.00 O ATOM 0 H GLU A 9 -2.211 -9.223 -1.460 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.055 -7.061 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.376 -9.099 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.843 -8.267 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.297 -6.202 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.579 -7.374 1.932 1.00 0.00 H new ATOM 123 N CYS A 10 -2.415 -5.195 -0.713 1.00 0.00 N ATOM 124 CA CYS A 10 -1.493 -4.083 -0.902 1.00 0.00 C ATOM 125 C CYS A 10 -0.159 -4.381 -0.227 1.00 0.00 C ATOM 126 O CYS A 10 -0.119 -4.785 0.935 1.00 0.00 O ATOM 127 CB CYS A 10 -2.094 -2.796 -0.332 1.00 0.00 C ATOM 128 SG CYS A 10 -1.486 -1.270 -1.122 1.00 0.00 S ATOM 0 H CYS A 10 -3.374 -4.918 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.323 -3.950 -1.970 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.178 -2.838 -0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.878 -2.750 0.735 1.00 0.00 H new ATOM 133 N THR A 11 0.934 -4.179 -0.956 1.00 0.00 N ATOM 134 CA THR A 11 2.261 -4.428 -0.414 1.00 0.00 C ATOM 135 C THR A 11 3.294 -3.595 -1.150 1.00 0.00 C ATOM 136 O THR A 11 2.951 -2.634 -1.832 1.00 0.00 O ATOM 137 CB THR A 11 2.613 -5.914 -0.507 1.00 0.00 C ATOM 138 OG1 THR A 11 3.987 -6.127 -0.234 1.00 0.00 O ATOM 139 CG2 THR A 11 2.315 -6.518 -1.862 1.00 0.00 C ATOM 0 H THR A 11 0.925 -3.845 -1.920 1.00 0.00 H new ATOM 0 HA THR A 11 2.262 -4.140 0.637 1.00 0.00 H new ATOM 0 HB THR A 11 1.984 -6.403 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.189 -7.084 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.588 -7.573 -1.858 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.251 -6.420 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.890 -5.997 -2.627 1.00 0.00 H new ATOM 147 N LEU A 12 4.558 -3.957 -1.000 1.00 0.00 N ATOM 148 CA LEU A 12 5.637 -3.223 -1.644 1.00 0.00 C ATOM 149 C LEU A 12 6.085 -3.891 -2.924 1.00 0.00 C ATOM 150 O LEU A 12 6.217 -5.112 -2.989 1.00 0.00 O ATOM 151 CB LEU A 12 6.823 -3.096 -0.703 1.00 0.00 C ATOM 152 CG LEU A 12 6.682 -2.025 0.372 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.359 -2.165 1.093 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.834 -2.131 1.348 1.00 0.00 C ATOM 0 H LEU A 12 4.862 -4.753 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 12 5.252 -2.234 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.986 -4.058 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.714 -2.882 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 12 6.705 -1.043 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.277 -1.391 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.542 -2.058 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.303 -3.147 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.732 -1.364 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.826 -3.116 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.775 -1.989 0.817 1.00 0.00 H new ATOM 166 N GLN A 13 6.337 -3.079 -3.940 1.00 0.00 N ATOM 167 CA GLN A 13 6.790 -3.602 -5.209 1.00 0.00 C ATOM 168 C GLN A 13 8.189 -3.131 -5.513 1.00 0.00 C ATOM 169 O GLN A 13 8.467 -2.574 -6.572 1.00 0.00 O ATOM 170 CB GLN A 13 5.855 -3.213 -6.325 1.00 0.00 C ATOM 171 CG GLN A 13 4.776 -4.250 -6.587 1.00 0.00 C ATOM 172 CD GLN A 13 4.046 -4.027 -7.895 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.569 -3.398 -8.815 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.824 -4.542 -7.978 1.00 0.00 N ATOM 0 H GLN A 13 6.235 -2.065 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 13 6.797 -4.689 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.384 -2.261 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.432 -3.059 -7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.227 -5.242 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.057 -4.233 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.432 -5.056 -7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.277 -4.423 -8.831 1.00 0.00 H new ATOM 183 N GLU A 14 9.037 -3.362 -4.541 1.00 0.00 N ATOM 184 CA GLU A 14 10.445 -2.987 -4.590 1.00 0.00 C ATOM 185 C GLU A 14 10.773 -2.141 -5.801 1.00 0.00 C ATOM 186 O GLU A 14 10.507 -2.507 -6.947 1.00 0.00 O ATOM 187 CB GLU A 14 11.350 -4.212 -4.566 1.00 0.00 C ATOM 188 CG GLU A 14 12.817 -3.872 -4.332 1.00 0.00 C ATOM 189 CD GLU A 14 13.758 -4.859 -4.994 1.00 0.00 C ATOM 190 OE1 GLU A 14 13.463 -5.292 -6.128 1.00 0.00 O ATOM 191 OE2 GLU A 14 14.789 -5.202 -4.378 1.00 0.00 O ATOM 0 H GLU A 14 8.771 -3.825 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 14 10.629 -2.390 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.012 -4.890 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.254 -4.745 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.019 -2.871 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.014 -3.851 -3.260 1.00 0.00 H new ATOM 198 N ASN A 15 11.371 -1.011 -5.516 1.00 0.00 N ATOM 199 CA ASN A 15 11.775 -0.066 -6.530 1.00 0.00 C ATOM 200 C ASN A 15 12.642 -0.730 -7.588 1.00 0.00 C ATOM 201 O ASN A 15 13.797 -1.069 -7.331 1.00 0.00 O ATOM 202 CB ASN A 15 12.536 1.071 -5.882 1.00 0.00 C ATOM 203 CG ASN A 15 12.030 2.425 -6.308 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.104 2.538 -7.109 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.643 3.461 -5.766 1.00 0.00 N ATOM 0 H ASN A 15 11.594 -0.717 -4.565 1.00 0.00 H new ATOM 0 HA ASN A 15 10.880 0.318 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.459 0.983 -4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.593 0.986 -6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.353 4.409 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.407 3.314 -5.106 1.00 0.00 H new ATOM 212 N PRO A 16 12.106 -0.916 -8.800 1.00 0.00 N ATOM 213 CA PRO A 16 12.852 -1.532 -9.896 1.00 0.00 C ATOM 214 C PRO A 16 13.894 -0.582 -10.473 1.00 0.00 C ATOM 215 O PRO A 16 14.352 -0.751 -11.603 1.00 0.00 O ATOM 216 CB PRO A 16 11.770 -1.847 -10.927 1.00 0.00 C ATOM 217 CG PRO A 16 10.690 -0.850 -10.669 1.00 0.00 C ATOM 218 CD PRO A 16 10.740 -0.532 -9.197 1.00 0.00 C ATOM 0 HA PRO A 16 13.412 -2.411 -9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.155 -1.758 -11.943 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.401 -2.867 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.843 0.050 -11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.716 -1.254 -10.945 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.551 0.525 -9.010 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.989 -1.093 -8.641 1.00 0.00 H new ATOM 226 N PHE A 17 14.262 0.417 -9.678 1.00 0.00 N ATOM 227 CA PHE A 17 15.246 1.407 -10.082 1.00 0.00 C ATOM 228 C PHE A 17 16.332 1.540 -9.030 1.00 0.00 C ATOM 229 O PHE A 17 17.520 1.396 -9.316 1.00 0.00 O ATOM 230 CB PHE A 17 14.575 2.762 -10.271 1.00 0.00 C ATOM 231 CG PHE A 17 15.521 3.829 -10.730 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.349 4.477 -9.826 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.586 4.178 -12.065 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.224 5.456 -10.251 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.459 5.156 -12.497 1.00 0.00 C ATOM 236 CZ PHE A 17 17.281 5.796 -11.589 1.00 0.00 C ATOM 0 H PHE A 17 13.887 0.560 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 17 15.692 1.079 -11.021 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.769 2.663 -10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.120 3.069 -9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.309 4.213 -8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.947 3.680 -12.779 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.863 5.956 -9.539 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.500 5.421 -13.543 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.966 6.560 -11.924 1.00 0.00 H new ATOM 246 N PHE A 18 15.904 1.821 -7.807 1.00 0.00 N ATOM 247 CA PHE A 18 16.822 1.984 -6.694 1.00 0.00 C ATOM 248 C PHE A 18 17.412 0.646 -6.285 1.00 0.00 C ATOM 249 O PHE A 18 18.496 0.586 -5.707 1.00 0.00 O ATOM 250 CB PHE A 18 16.107 2.619 -5.504 1.00 0.00 C ATOM 251 CG PHE A 18 16.947 3.628 -4.781 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.250 3.326 -4.433 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.441 4.876 -4.462 1.00 0.00 C ATOM 254 CE1 PHE A 18 19.039 4.249 -3.776 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.226 5.806 -3.805 1.00 0.00 C ATOM 256 CZ PHE A 18 18.526 5.492 -3.463 1.00 0.00 C ATOM 0 H PHE A 18 14.921 1.941 -7.562 1.00 0.00 H new ATOM 0 HA PHE A 18 17.631 2.640 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.192 3.099 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.810 1.836 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.656 2.356 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.425 5.126 -4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 18 20.055 3.999 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.822 6.777 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.141 6.218 -2.951 1.00 0.00 H new ATOM 266 N SER A 19 16.695 -0.428 -6.591 1.00 0.00 N ATOM 267 CA SER A 19 17.159 -1.765 -6.253 1.00 0.00 C ATOM 268 C SER A 19 18.659 -1.877 -6.493 1.00 0.00 C ATOM 269 O SER A 19 19.100 -2.191 -7.598 1.00 0.00 O ATOM 270 CB SER A 19 16.416 -2.815 -7.078 1.00 0.00 C ATOM 271 OG SER A 19 15.194 -3.179 -6.462 1.00 0.00 O ATOM 0 H SER A 19 15.795 -0.399 -7.070 1.00 0.00 H new ATOM 0 HA SER A 19 16.955 -1.945 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.221 -2.425 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.043 -3.698 -7.198 1.00 0.00 H new ATOM 0 HG SER A 19 14.463 -2.652 -6.848 1.00 0.00 H new ATOM 277 N GLN A 20 19.439 -1.605 -5.452 1.00 0.00 N ATOM 278 CA GLN A 20 20.891 -1.662 -5.551 1.00 0.00 C ATOM 279 C GLN A 20 21.463 -2.606 -4.501 1.00 0.00 C ATOM 280 O GLN A 20 21.017 -2.612 -3.357 1.00 0.00 O ATOM 281 CB GLN A 20 21.476 -0.255 -5.376 1.00 0.00 C ATOM 282 CG GLN A 20 22.471 -0.126 -4.233 1.00 0.00 C ATOM 283 CD GLN A 20 23.864 -0.581 -4.619 1.00 0.00 C ATOM 284 OE1 GLN A 20 24.208 -1.755 -4.481 1.00 0.00 O ATOM 285 NE2 GLN A 20 24.673 0.351 -5.108 1.00 0.00 N ATOM 0 H GLN A 20 19.089 -1.343 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 20 21.162 -2.043 -6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.967 0.039 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.659 0.447 -5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.510 0.913 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.122 -0.715 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.345 1.312 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 20 25.623 0.106 -5.387 1.00 0.00 H new ATOM 294 N PRO A 21 22.464 -3.412 -4.876 1.00 0.00 N ATOM 295 CA PRO A 21 23.099 -4.352 -3.960 1.00 0.00 C ATOM 296 C PRO A 21 23.234 -3.779 -2.553 1.00 0.00 C ATOM 297 O PRO A 21 24.279 -3.243 -2.189 1.00 0.00 O ATOM 298 CB PRO A 21 24.471 -4.556 -4.595 1.00 0.00 C ATOM 299 CG PRO A 21 24.236 -4.402 -6.061 1.00 0.00 C ATOM 300 CD PRO A 21 23.062 -3.464 -6.222 1.00 0.00 C ATOM 0 HA PRO A 21 22.527 -5.271 -3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.190 -3.822 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 21 24.874 -5.541 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 21 25.121 -4.000 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.025 -5.367 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.382 -2.477 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.352 -3.836 -6.961 1.00 0.00 H new ATOM 308 N GLY A 22 22.167 -3.889 -1.768 1.00 0.00 N ATOM 309 CA GLY A 22 22.185 -3.368 -0.415 1.00 0.00 C ATOM 310 C GLY A 22 21.018 -2.444 -0.133 1.00 0.00 C ATOM 311 O GLY A 22 20.788 -2.054 1.012 1.00 0.00 O ATOM 0 H GLY A 22 21.290 -4.330 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 22.165 -4.198 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 22 23.118 -2.830 -0.249 1.00 0.00 H new ATOM 315 N ALA A 23 20.280 -2.089 -1.181 1.00 0.00 N ATOM 316 CA ALA A 23 19.134 -1.203 -1.039 1.00 0.00 C ATOM 317 C ALA A 23 18.128 -1.417 -2.147 1.00 0.00 C ATOM 318 O ALA A 23 18.283 -0.938 -3.271 1.00 0.00 O ATOM 319 CB ALA A 23 19.591 0.245 -0.989 1.00 0.00 C ATOM 0 H ALA A 23 20.457 -2.402 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 23 18.636 -1.442 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.724 0.897 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 23 20.258 0.387 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 23 20.120 0.492 -1.910 1.00 0.00 H new ATOM 325 N PRO A 24 17.091 -2.175 -1.814 1.00 0.00 N ATOM 326 CA PRO A 24 16.016 -2.540 -2.702 1.00 0.00 C ATOM 327 C PRO A 24 14.747 -1.748 -2.439 1.00 0.00 C ATOM 328 O PRO A 24 13.735 -2.296 -2.004 1.00 0.00 O ATOM 329 CB PRO A 24 15.834 -4.007 -2.321 1.00 0.00 C ATOM 330 CG PRO A 24 16.243 -4.098 -0.872 1.00 0.00 C ATOM 331 CD PRO A 24 16.885 -2.788 -0.511 1.00 0.00 C ATOM 0 HA PRO A 24 16.228 -2.351 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.800 -4.323 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.450 -4.654 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.377 -4.290 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.939 -4.923 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.242 -2.182 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.823 -2.929 0.025 1.00 0.00 H new ATOM 339 N ILE A 25 14.822 -0.455 -2.705 1.00 0.00 N ATOM 340 CA ILE A 25 13.718 0.449 -2.519 1.00 0.00 C ATOM 341 C ILE A 25 12.375 -0.161 -2.881 1.00 0.00 C ATOM 342 O ILE A 25 12.279 -1.349 -3.180 1.00 0.00 O ATOM 343 CB ILE A 25 13.983 1.706 -3.324 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.200 2.359 -2.731 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.802 2.648 -3.247 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.045 2.512 -1.243 1.00 0.00 C ATOM 0 H ILE A 25 15.666 -0.005 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 25 13.650 0.686 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 25 14.140 1.461 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.084 1.761 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.355 3.336 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.012 3.544 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.916 2.154 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.625 2.926 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.936 2.987 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.173 3.130 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.914 1.530 -0.788 1.00 0.00 H new ATOM 358 N LEU A 26 11.319 0.642 -2.768 1.00 0.00 N ATOM 359 CA LEU A 26 9.978 0.147 -2.988 1.00 0.00 C ATOM 360 C LEU A 26 9.003 1.193 -3.433 1.00 0.00 C ATOM 361 O LEU A 26 9.354 2.256 -3.937 1.00 0.00 O ATOM 362 CB LEU A 26 9.507 -0.376 -1.660 1.00 0.00 C ATOM 363 CG LEU A 26 10.626 -0.435 -0.645 1.00 0.00 C ATOM 364 CD1 LEU A 26 10.192 0.148 0.682 1.00 0.00 C ATOM 365 CD2 LEU A 26 11.135 -1.858 -0.479 1.00 0.00 C ATOM 0 H LEU A 26 11.374 1.631 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 26 10.018 -0.598 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.708 0.262 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.084 -1.372 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 26 11.449 0.173 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.017 0.092 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.902 1.190 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.343 -0.417 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.939 -1.873 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.321 -2.498 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.510 -2.224 -1.435 1.00 0.00 H new ATOM 377 N GLN A 27 7.755 0.847 -3.218 1.00 0.00 N ATOM 378 CA GLN A 27 6.650 1.724 -3.558 1.00 0.00 C ATOM 379 C GLN A 27 5.313 0.990 -3.474 1.00 0.00 C ATOM 380 O GLN A 27 4.642 0.789 -4.487 1.00 0.00 O ATOM 381 CB GLN A 27 6.879 2.311 -4.954 1.00 0.00 C ATOM 382 CG GLN A 27 5.628 2.897 -5.590 1.00 0.00 C ATOM 383 CD GLN A 27 5.907 4.177 -6.355 1.00 0.00 C ATOM 384 OE1 GLN A 27 5.038 5.041 -6.479 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.123 4.305 -6.873 1.00 0.00 N ATOM 0 H GLN A 27 7.474 -0.043 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 27 6.608 2.539 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.640 3.089 -4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.274 1.531 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.190 2.162 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.889 3.096 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.812 3.564 -6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.368 5.144 -7.398 1.00 0.00 H new ATOM 394 N CYS A 28 4.944 0.589 -2.250 1.00 0.00 N ATOM 395 CA CYS A 28 3.689 -0.133 -2.002 1.00 0.00 C ATOM 396 C CYS A 28 2.847 -0.212 -3.269 1.00 0.00 C ATOM 397 O CYS A 28 2.360 0.807 -3.761 1.00 0.00 O ATOM 398 CB CYS A 28 2.854 0.532 -0.896 1.00 0.00 C ATOM 399 SG CYS A 28 3.515 0.337 0.796 1.00 0.00 S ATOM 0 H CYS A 28 5.501 0.754 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 28 3.967 -1.136 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.769 1.596 -1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.846 0.119 -0.925 1.00 0.00 H new ATOM 404 N MET A 29 2.678 -1.415 -3.800 1.00 0.00 N ATOM 405 CA MET A 29 1.893 -1.596 -5.013 1.00 0.00 C ATOM 406 C MET A 29 1.058 -2.869 -4.945 1.00 0.00 C ATOM 407 O MET A 29 1.589 -3.976 -5.018 1.00 0.00 O ATOM 408 CB MET A 29 2.814 -1.638 -6.231 1.00 0.00 C ATOM 409 CG MET A 29 2.137 -1.210 -7.523 1.00 0.00 C ATOM 410 SD MET A 29 2.474 0.510 -7.946 1.00 0.00 S ATOM 411 CE MET A 29 3.806 0.315 -9.127 1.00 0.00 C ATOM 0 H MET A 29 3.070 -2.274 -3.414 1.00 0.00 H new ATOM 0 HA MET A 29 1.212 -0.750 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.672 -0.991 -6.049 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.198 -2.651 -6.351 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.474 -1.853 -8.336 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.060 -1.353 -7.429 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.124 1.295 -9.481 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.646 -0.188 -8.648 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.459 -0.281 -9.971 1.00 0.00 H new ATOM 421 N GLY A 30 -0.253 -2.699 -4.808 1.00 0.00 N ATOM 422 CA GLY A 30 -1.145 -3.838 -4.735 1.00 0.00 C ATOM 423 C GLY A 30 -2.589 -3.458 -5.002 1.00 0.00 C ATOM 424 O GLY A 30 -2.890 -2.789 -5.990 1.00 0.00 O ATOM 0 H GLY A 30 -0.713 -1.791 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.830 -4.590 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.068 -4.294 -3.748 1.00 0.00 H new ATOM 428 N CYS A 31 -3.485 -3.888 -4.119 1.00 0.00 N ATOM 429 CA CYS A 31 -4.904 -3.590 -4.265 1.00 0.00 C ATOM 430 C CYS A 31 -5.555 -3.353 -2.905 1.00 0.00 C ATOM 431 O CYS A 31 -5.606 -4.252 -2.067 1.00 0.00 O ATOM 432 CB CYS A 31 -5.612 -4.737 -4.987 1.00 0.00 C ATOM 433 SG CYS A 31 -4.491 -5.843 -5.905 1.00 0.00 S ATOM 0 H CYS A 31 -3.253 -4.444 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.000 -2.679 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.167 -5.325 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.342 -4.320 -5.681 1.00 0.00 H new ATOM 438 N CYS A 32 -6.053 -2.138 -2.695 1.00 0.00 N ATOM 439 CA CYS A 32 -6.701 -1.785 -1.438 1.00 0.00 C ATOM 440 C CYS A 32 -7.802 -2.780 -1.093 1.00 0.00 C ATOM 441 O CYS A 32 -7.930 -3.827 -1.726 1.00 0.00 O ATOM 442 CB CYS A 32 -7.291 -0.375 -1.522 1.00 0.00 C ATOM 443 SG CYS A 32 -6.099 0.906 -2.031 1.00 0.00 S ATOM 0 H CYS A 32 -6.020 -1.382 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.946 -1.814 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.122 -0.383 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.702 -0.107 -0.549 1.00 0.00 H new ATOM 448 N PHE A 33 -8.600 -2.441 -0.086 1.00 0.00 N ATOM 449 CA PHE A 33 -9.697 -3.299 0.344 1.00 0.00 C ATOM 450 C PHE A 33 -11.017 -2.536 0.314 1.00 0.00 C ATOM 451 O PHE A 33 -11.032 -1.306 0.261 1.00 0.00 O ATOM 452 CB PHE A 33 -9.441 -3.839 1.753 1.00 0.00 C ATOM 453 CG PHE A 33 -7.983 -3.945 2.106 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.181 -4.908 1.514 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.415 -3.082 3.030 1.00 0.00 C ATOM 456 CE1 PHE A 33 -5.841 -5.010 1.839 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.077 -3.179 3.360 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.289 -4.144 2.763 1.00 0.00 C ATOM 0 H PHE A 33 -8.507 -1.577 0.448 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.759 -4.139 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.934 -3.190 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.900 -4.824 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.608 -5.587 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.026 -2.324 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.227 -5.765 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.648 -2.502 4.083 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.242 -4.221 3.018 1.00 0.00 H new ATOM 468 N SER A 34 -12.123 -3.272 0.346 1.00 0.00 N ATOM 469 CA SER A 34 -13.448 -2.662 0.321 1.00 0.00 C ATOM 470 C SER A 34 -13.858 -2.322 -1.107 1.00 0.00 C ATOM 471 O SER A 34 -14.219 -1.183 -1.405 1.00 0.00 O ATOM 472 CB SER A 34 -13.469 -1.399 1.185 1.00 0.00 C ATOM 473 OG SER A 34 -14.765 -1.159 1.707 1.00 0.00 O ATOM 0 H SER A 34 -12.128 -4.291 0.389 1.00 0.00 H new ATOM 0 HA SER A 34 -14.161 -3.380 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.757 -1.503 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.149 -0.543 0.591 1.00 0.00 H new ATOM 0 HG SER A 34 -14.751 -0.348 2.256 1.00 0.00 H new ATOM 479 N ARG A 35 -13.798 -3.316 -1.986 1.00 0.00 N ATOM 480 CA ARG A 35 -14.162 -3.125 -3.386 1.00 0.00 C ATOM 481 C ARG A 35 -15.553 -2.515 -3.509 1.00 0.00 C ATOM 482 O ARG A 35 -16.519 -3.031 -2.948 1.00 0.00 O ATOM 483 CB ARG A 35 -14.114 -4.457 -4.136 1.00 0.00 C ATOM 484 CG ARG A 35 -12.709 -4.900 -4.511 1.00 0.00 C ATOM 485 CD ARG A 35 -11.684 -4.423 -3.495 1.00 0.00 C ATOM 486 NE ARG A 35 -10.350 -4.936 -3.785 1.00 0.00 N ATOM 487 CZ ARG A 35 -9.906 -6.112 -3.357 1.00 0.00 C ATOM 488 NH1 ARG A 35 -10.688 -6.887 -2.618 1.00 0.00 N ATOM 489 NH2 ARG A 35 -8.681 -6.512 -3.664 1.00 0.00 N ATOM 0 H ARG A 35 -13.500 -4.264 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.441 -2.438 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.575 -5.228 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.713 -4.374 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.676 -5.987 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.454 -4.510 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.660 -3.333 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.986 -4.742 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.724 -4.360 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.631 -6.580 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.347 -7.790 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.077 -5.916 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.342 -7.416 -3.334 1.00 0.00 H new ATOM 503 N ALA A 36 -15.647 -1.416 -4.250 1.00 0.00 N ATOM 504 CA ALA A 36 -16.919 -0.736 -4.452 1.00 0.00 C ATOM 505 C ALA A 36 -17.223 -0.582 -5.938 1.00 0.00 C ATOM 506 O ALA A 36 -16.397 -0.914 -6.788 1.00 0.00 O ATOM 507 CB ALA A 36 -16.903 0.622 -3.768 1.00 0.00 C ATOM 0 H ALA A 36 -14.856 -0.977 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.707 -1.343 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.859 1.120 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.736 0.489 -2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.103 1.231 -4.188 1.00 0.00 H new ATOM 513 N TYR A 37 -18.414 -0.081 -6.249 1.00 0.00 N ATOM 514 CA TYR A 37 -18.820 0.110 -7.637 1.00 0.00 C ATOM 515 C TYR A 37 -19.134 1.577 -7.920 1.00 0.00 C ATOM 516 O TYR A 37 -19.469 2.338 -7.014 1.00 0.00 O ATOM 517 CB TYR A 37 -20.038 -0.755 -7.955 1.00 0.00 C ATOM 518 CG TYR A 37 -20.358 -1.770 -6.881 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.458 -2.779 -6.563 1.00 0.00 C ATOM 520 CD2 TYR A 37 -21.557 -1.714 -6.183 1.00 0.00 C ATOM 521 CE1 TYR A 37 -19.745 -3.707 -5.579 1.00 0.00 C ATOM 522 CE2 TYR A 37 -21.851 -2.638 -5.197 1.00 0.00 C ATOM 523 CZ TYR A 37 -20.942 -3.631 -4.899 1.00 0.00 C ATOM 524 OH TYR A 37 -21.233 -4.551 -3.919 1.00 0.00 O ATOM 0 H TYR A 37 -19.113 0.199 -5.561 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.990 -0.192 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -20.903 -0.109 -8.102 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -19.867 -1.277 -8.897 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.519 -2.840 -7.093 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -22.271 -0.937 -6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.036 -4.487 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.788 -2.582 -4.663 1.00 0.00 H new ATOM 0 HH TYR A 37 -22.114 -4.355 -3.538 1.00 0.00 H new ATOM 534 N PRO A 38 -19.025 1.986 -9.192 1.00 0.00 N ATOM 535 CA PRO A 38 -19.294 3.367 -9.613 1.00 0.00 C ATOM 536 C PRO A 38 -20.732 3.791 -9.339 1.00 0.00 C ATOM 537 O PRO A 38 -21.511 3.040 -8.754 1.00 0.00 O ATOM 538 CB PRO A 38 -19.028 3.346 -11.123 1.00 0.00 C ATOM 539 CG PRO A 38 -18.190 2.135 -11.352 1.00 0.00 C ATOM 540 CD PRO A 38 -18.628 1.135 -10.323 1.00 0.00 C ATOM 0 HA PRO A 38 -18.676 4.079 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -19.959 3.293 -11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.511 4.250 -11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -18.332 1.746 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -17.130 2.367 -11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -19.457 0.524 -10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -17.822 0.453 -10.053 1.00 0.00 H new ATOM 548 N THR A 39 -21.077 5.001 -9.771 1.00 0.00 N ATOM 549 CA THR A 39 -22.422 5.526 -9.577 1.00 0.00 C ATOM 550 C THR A 39 -23.470 4.525 -10.055 1.00 0.00 C ATOM 551 O THR A 39 -23.677 4.350 -11.256 1.00 0.00 O ATOM 552 CB THR A 39 -22.587 6.854 -10.319 1.00 0.00 C ATOM 553 OG1 THR A 39 -21.769 6.890 -11.475 1.00 0.00 O ATOM 554 CG2 THR A 39 -22.235 8.057 -9.471 1.00 0.00 C ATOM 0 H THR A 39 -20.443 5.635 -10.257 1.00 0.00 H new ATOM 0 HA THR A 39 -22.569 5.696 -8.510 1.00 0.00 H new ATOM 0 HB THR A 39 -23.643 6.909 -10.583 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.891 7.746 -11.935 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.373 8.967 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 39 -22.883 8.087 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.195 7.985 -9.151 1.00 0.00 H new ATOM 562 N PRO A 40 -24.147 3.854 -9.110 1.00 0.00 N ATOM 563 CA PRO A 40 -25.183 2.864 -9.423 1.00 0.00 C ATOM 564 C PRO A 40 -26.376 3.496 -10.131 1.00 0.00 C ATOM 565 O PRO A 40 -27.472 3.568 -9.577 1.00 0.00 O ATOM 566 CB PRO A 40 -25.600 2.323 -8.048 1.00 0.00 C ATOM 567 CG PRO A 40 -24.502 2.721 -7.121 1.00 0.00 C ATOM 568 CD PRO A 40 -23.958 4.009 -7.663 1.00 0.00 C ATOM 0 HA PRO A 40 -24.818 2.091 -10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.554 2.745 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -25.722 1.240 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -24.875 2.851 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -23.727 1.955 -7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -24.498 4.872 -7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -22.908 4.146 -7.404 1.00 0.00 H new ATOM 576 N LEU A 41 -26.146 3.962 -11.357 1.00 0.00 N ATOM 577 CA LEU A 41 -27.194 4.601 -12.150 1.00 0.00 C ATOM 578 C LEU A 41 -28.577 4.099 -11.749 1.00 0.00 C ATOM 579 O LEU A 41 -28.847 2.899 -11.778 1.00 0.00 O ATOM 580 CB LEU A 41 -26.974 4.360 -13.648 1.00 0.00 C ATOM 581 CG LEU A 41 -25.574 3.886 -14.046 1.00 0.00 C ATOM 582 CD1 LEU A 41 -25.630 2.471 -14.597 1.00 0.00 C ATOM 583 CD2 LEU A 41 -24.962 4.831 -15.068 1.00 0.00 C ATOM 0 H LEU A 41 -25.241 3.909 -11.824 1.00 0.00 H new ATOM 0 HA LEU A 41 -27.140 5.671 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -27.698 3.620 -13.988 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -27.189 5.286 -14.182 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.944 3.886 -13.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -24.627 2.149 -14.875 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -26.029 1.800 -13.836 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.275 2.448 -15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -23.967 4.479 -15.339 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -25.591 4.862 -15.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -24.889 5.831 -14.641 1.00 0.00 H new ATOM 595 N ARG A 42 -29.448 5.031 -11.374 1.00 0.00 N ATOM 596 CA ARG A 42 -30.808 4.696 -10.966 1.00 0.00 C ATOM 597 C ARG A 42 -31.374 5.781 -10.056 1.00 0.00 C ATOM 598 O ARG A 42 -32.576 6.042 -10.054 1.00 0.00 O ATOM 599 CB ARG A 42 -30.836 3.344 -10.248 1.00 0.00 C ATOM 600 CG ARG A 42 -31.290 2.196 -11.137 1.00 0.00 C ATOM 601 CD ARG A 42 -32.803 2.046 -11.124 1.00 0.00 C ATOM 602 NE ARG A 42 -33.296 1.333 -12.302 1.00 0.00 N ATOM 603 CZ ARG A 42 -33.298 1.850 -13.528 1.00 0.00 C ATOM 604 NH1 ARG A 42 -32.827 3.071 -13.738 1.00 0.00 N ATOM 605 NH2 ARG A 42 -33.772 1.144 -14.546 1.00 0.00 N ATOM 0 H ARG A 42 -29.235 6.028 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 42 -31.426 4.630 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -29.840 3.124 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -31.501 3.412 -9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -30.949 2.368 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -30.828 1.268 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -33.106 1.511 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -33.264 3.033 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 42 -33.658 0.388 -12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -32.461 3.618 -12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -32.830 3.464 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -34.135 0.204 -14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -33.773 1.541 -15.485 1.00 0.00 H new ATOM 619 N SER A 43 -30.493 6.414 -9.287 1.00 0.00 N ATOM 620 CA SER A 43 -30.895 7.479 -8.375 1.00 0.00 C ATOM 621 C SER A 43 -31.928 6.981 -7.368 1.00 0.00 C ATOM 622 O SER A 43 -31.592 6.665 -6.227 1.00 0.00 O ATOM 623 CB SER A 43 -31.455 8.662 -9.164 1.00 0.00 C ATOM 624 OG SER A 43 -31.590 8.339 -10.538 1.00 0.00 O ATOM 0 H SER A 43 -29.494 6.207 -9.278 1.00 0.00 H new ATOM 0 HA SER A 43 -30.013 7.803 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 -32.425 8.948 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 43 -30.796 9.523 -9.052 1.00 0.00 H new ATOM 0 HG SER A 43 -31.952 9.111 -11.022 1.00 0.00 H new ATOM 630 N LYS A 44 -33.187 6.920 -7.794 1.00 0.00 N ATOM 631 CA LYS A 44 -34.268 6.465 -6.925 1.00 0.00 C ATOM 632 C LYS A 44 -34.379 7.353 -5.689 1.00 0.00 C ATOM 633 O LYS A 44 -33.373 7.683 -5.061 1.00 0.00 O ATOM 634 CB LYS A 44 -34.037 5.011 -6.508 1.00 0.00 C ATOM 635 CG LYS A 44 -35.253 4.118 -6.703 1.00 0.00 C ATOM 636 CD LYS A 44 -35.489 3.811 -8.173 1.00 0.00 C ATOM 637 CE LYS A 44 -36.961 3.914 -8.534 1.00 0.00 C ATOM 638 NZ LYS A 44 -37.478 5.300 -8.367 1.00 0.00 N ATOM 0 H LYS A 44 -33.483 7.180 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 44 -35.203 6.530 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -33.204 4.606 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -33.743 4.986 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -35.114 3.187 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -36.134 4.605 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -34.913 4.503 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -35.127 2.808 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -37.105 3.595 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -37.537 3.234 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -38.416 5.376 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -37.554 5.522 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -36.825 5.971 -8.820 1.00 0.00 H new ATOM 652 N LYS A 45 -35.605 7.743 -5.350 1.00 0.00 N ATOM 653 CA LYS A 45 -35.840 8.601 -4.195 1.00 0.00 C ATOM 654 C LYS A 45 -36.572 7.854 -3.082 1.00 0.00 C ATOM 655 O LYS A 45 -37.483 7.070 -3.340 1.00 0.00 O ATOM 656 CB LYS A 45 -36.651 9.831 -4.607 1.00 0.00 C ATOM 657 CG LYS A 45 -38.069 9.502 -5.045 1.00 0.00 C ATOM 658 CD LYS A 45 -39.084 10.422 -4.385 1.00 0.00 C ATOM 659 CE LYS A 45 -39.441 9.946 -2.988 1.00 0.00 C ATOM 660 NZ LYS A 45 -40.821 10.351 -2.600 1.00 0.00 N ATOM 0 H LYS A 45 -36.449 7.478 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 45 -34.868 8.914 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -36.690 10.528 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -36.136 10.340 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -38.146 9.591 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -38.298 8.466 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -38.681 11.433 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -39.985 10.469 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -39.354 8.860 -2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -38.728 10.354 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -41.027 10.007 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -40.897 11.388 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -41.504 9.941 -3.268 1.00 0.00 H new ATOM 674 N THR A 46 -36.165 8.123 -1.842 1.00 0.00 N ATOM 675 CA THR A 46 -36.772 7.503 -0.665 1.00 0.00 C ATOM 676 C THR A 46 -37.358 6.127 -0.978 1.00 0.00 C ATOM 677 O THR A 46 -38.417 6.019 -1.596 1.00 0.00 O ATOM 678 CB THR A 46 -37.862 8.418 -0.099 1.00 0.00 C ATOM 679 OG1 THR A 46 -37.324 9.304 0.867 1.00 0.00 O ATOM 680 CG2 THR A 46 -39.002 7.665 0.555 1.00 0.00 C ATOM 0 H THR A 46 -35.409 8.773 -1.626 1.00 0.00 H new ATOM 0 HA THR A 46 -35.985 7.363 0.076 1.00 0.00 H new ATOM 0 HB THR A 46 -38.254 8.961 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 46 -38.036 9.881 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 -39.737 8.375 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 46 -39.474 7.010 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 46 -38.617 7.067 1.381 1.00 0.00 H new ATOM 688 N MET A 47 -36.666 5.082 -0.527 1.00 0.00 N ATOM 689 CA MET A 47 -37.112 3.706 -0.735 1.00 0.00 C ATOM 690 C MET A 47 -35.928 2.745 -0.696 1.00 0.00 C ATOM 691 O MET A 47 -34.777 3.156 -0.849 1.00 0.00 O ATOM 692 CB MET A 47 -37.851 3.565 -2.069 1.00 0.00 C ATOM 693 CG MET A 47 -37.064 4.078 -3.263 1.00 0.00 C ATOM 694 SD MET A 47 -37.989 3.953 -4.805 1.00 0.00 S ATOM 695 CE MET A 47 -37.735 2.227 -5.209 1.00 0.00 C ATOM 0 H MET A 47 -35.789 5.164 -0.012 1.00 0.00 H new ATOM 0 HA MET A 47 -37.800 3.454 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 47 -38.094 2.515 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 47 -38.796 4.105 -2.009 1.00 0.00 H new ATOM 0 HG2 MET A 47 -36.788 5.119 -3.092 1.00 0.00 H new ATOM 0 HG3 MET A 47 -36.136 3.513 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 47 -38.187 2.009 -6.177 1.00 0.00 H new ATOM 0 HE2 MET A 47 -36.666 2.017 -5.253 1.00 0.00 H new ATOM 0 HE3 MET A 47 -38.196 1.603 -4.444 1.00 0.00 H new ATOM 705 N LEU A 48 -36.218 1.464 -0.491 1.00 0.00 N ATOM 706 CA LEU A 48 -35.178 0.444 -0.432 1.00 0.00 C ATOM 707 C LEU A 48 -34.590 0.345 0.973 1.00 0.00 C ATOM 708 O LEU A 48 -35.063 0.997 1.903 1.00 0.00 O ATOM 709 CB LEU A 48 -34.069 0.757 -1.439 1.00 0.00 C ATOM 710 CG LEU A 48 -33.603 -0.430 -2.281 1.00 0.00 C ATOM 711 CD1 LEU A 48 -34.250 -0.397 -3.656 1.00 0.00 C ATOM 712 CD2 LEU A 48 -32.087 -0.431 -2.404 1.00 0.00 C ATOM 0 H LEU A 48 -37.165 1.108 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 48 -35.631 -0.514 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -34.419 1.542 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -33.212 1.158 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 48 -33.909 -1.349 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -33.906 -1.250 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -35.334 -0.444 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -33.975 0.527 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -31.771 -1.283 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -31.760 0.493 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -31.642 -0.504 -1.412 1.00 0.00 H new ATOM 724 N VAL A 49 -33.558 -0.480 1.120 1.00 0.00 N ATOM 725 CA VAL A 49 -32.905 -0.669 2.411 1.00 0.00 C ATOM 726 C VAL A 49 -31.397 -0.458 2.298 1.00 0.00 C ATOM 727 O VAL A 49 -30.925 0.259 1.415 1.00 0.00 O ATOM 728 CB VAL A 49 -33.180 -2.077 2.976 1.00 0.00 C ATOM 729 CG1 VAL A 49 -33.447 -2.015 4.472 1.00 0.00 C ATOM 730 CG2 VAL A 49 -34.349 -2.726 2.248 1.00 0.00 C ATOM 0 H VAL A 49 -33.156 -1.029 0.360 1.00 0.00 H new ATOM 0 HA VAL A 49 -33.321 0.073 3.092 1.00 0.00 H new ATOM 0 HB VAL A 49 -32.293 -2.689 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -33.638 -3.020 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -32.578 -1.596 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -34.316 -1.385 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -34.528 -3.719 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -35.242 -2.114 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -34.115 -2.811 1.187 1.00 0.00 H new ATOM 740 N GLN A 50 -30.645 -1.088 3.197 1.00 0.00 N ATOM 741 CA GLN A 50 -29.191 -0.969 3.198 1.00 0.00 C ATOM 742 C GLN A 50 -28.752 0.383 3.750 1.00 0.00 C ATOM 743 O GLN A 50 -29.557 1.306 3.871 1.00 0.00 O ATOM 744 CB GLN A 50 -28.637 -1.156 1.783 1.00 0.00 C ATOM 745 CG GLN A 50 -27.329 -1.929 1.745 1.00 0.00 C ATOM 746 CD GLN A 50 -27.532 -3.397 1.431 1.00 0.00 C ATOM 747 OE1 GLN A 50 -27.614 -3.791 0.268 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.618 -4.217 2.473 1.00 0.00 N ATOM 0 H GLN A 50 -31.019 -1.686 3.934 1.00 0.00 H new ATOM 0 HA GLN A 50 -28.793 -1.752 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -29.377 -1.679 1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -28.486 -0.177 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -26.672 -1.488 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.826 -1.833 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -27.544 -3.847 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -27.757 -5.217 2.325 1.00 0.00 H new ATOM 757 N LYS A 51 -27.469 0.491 4.082 1.00 0.00 N ATOM 758 CA LYS A 51 -26.922 1.731 4.621 1.00 0.00 C ATOM 759 C LYS A 51 -26.784 2.783 3.524 1.00 0.00 C ATOM 760 O LYS A 51 -26.986 2.491 2.345 1.00 0.00 O ATOM 761 CB LYS A 51 -25.563 1.472 5.280 1.00 0.00 C ATOM 762 CG LYS A 51 -24.395 1.469 4.304 1.00 0.00 C ATOM 763 CD LYS A 51 -24.114 0.072 3.774 1.00 0.00 C ATOM 764 CE LYS A 51 -23.581 0.110 2.351 1.00 0.00 C ATOM 765 NZ LYS A 51 -22.475 -0.866 2.147 1.00 0.00 N ATOM 0 H LYS A 51 -26.790 -0.264 3.987 1.00 0.00 H new ATOM 0 HA LYS A 51 -27.612 2.109 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -25.387 2.234 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -25.597 0.511 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.614 2.138 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.505 1.857 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.391 -0.424 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.029 -0.520 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.390 -0.107 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.225 1.115 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.139 -0.809 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.692 -0.644 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.821 -1.828 2.340 1.00 0.00 H new ATOM 779 N ASN A 52 -26.440 4.006 3.917 1.00 0.00 N ATOM 780 CA ASN A 52 -26.278 5.095 2.961 1.00 0.00 C ATOM 781 C ASN A 52 -24.802 5.420 2.741 1.00 0.00 C ATOM 782 O ASN A 52 -23.993 5.339 3.665 1.00 0.00 O ATOM 783 CB ASN A 52 -27.019 6.343 3.445 1.00 0.00 C ATOM 784 CG ASN A 52 -26.634 6.736 4.858 1.00 0.00 C ATOM 785 OD1 ASN A 52 -25.458 6.718 5.221 1.00 0.00 O ATOM 786 ND2 ASN A 52 -27.627 7.095 5.665 1.00 0.00 N ATOM 0 H ASN A 52 -26.269 4.267 4.888 1.00 0.00 H new ATOM 0 HA ASN A 52 -26.704 4.772 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -26.807 7.172 2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -28.093 6.164 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -27.428 7.370 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -28.588 7.096 5.322 1.00 0.00 H new ATOM 793 N VAL A 53 -24.463 5.789 1.511 1.00 0.00 N ATOM 794 CA VAL A 53 -23.089 6.128 1.165 1.00 0.00 C ATOM 795 C VAL A 53 -22.142 4.970 1.456 1.00 0.00 C ATOM 796 O VAL A 53 -22.373 4.179 2.371 1.00 0.00 O ATOM 797 CB VAL A 53 -22.612 7.377 1.930 1.00 0.00 C ATOM 798 CG1 VAL A 53 -21.308 7.899 1.345 1.00 0.00 C ATOM 799 CG2 VAL A 53 -23.686 8.454 1.905 1.00 0.00 C ATOM 0 H VAL A 53 -25.122 5.861 0.736 1.00 0.00 H new ATOM 0 HA VAL A 53 -23.075 6.338 0.096 1.00 0.00 H new ATOM 0 HB VAL A 53 -22.429 7.099 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -20.988 8.781 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -20.542 7.127 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -21.459 8.163 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -23.335 9.331 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -23.901 8.730 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.593 8.074 2.375 1.00 0.00 H new ATOM 809 N THR A 54 -21.079 4.876 0.665 1.00 0.00 N ATOM 810 CA THR A 54 -20.091 3.815 0.823 1.00 0.00 C ATOM 811 C THR A 54 -19.018 3.925 -0.253 1.00 0.00 C ATOM 812 O THR A 54 -19.327 4.141 -1.424 1.00 0.00 O ATOM 813 CB THR A 54 -20.765 2.443 0.751 1.00 0.00 C ATOM 814 OG1 THR A 54 -21.407 2.133 1.978 1.00 0.00 O ATOM 815 CG2 THR A 54 -19.805 1.313 0.440 1.00 0.00 C ATOM 0 H THR A 54 -20.879 5.525 -0.096 1.00 0.00 H new ATOM 0 HA THR A 54 -19.622 3.925 1.801 1.00 0.00 H new ATOM 0 HB THR A 54 -21.483 2.521 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 54 -21.665 2.963 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 54 -20.352 0.371 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.330 1.494 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 -19.041 1.260 1.216 1.00 0.00 H new ATOM 823 N SER A 55 -17.759 3.775 0.159 1.00 0.00 N ATOM 824 CA SER A 55 -16.621 3.854 -0.758 1.00 0.00 C ATOM 825 C SER A 55 -15.671 4.976 -0.352 1.00 0.00 C ATOM 826 O SER A 55 -15.782 6.103 -0.836 1.00 0.00 O ATOM 827 CB SER A 55 -17.084 4.074 -2.201 1.00 0.00 C ATOM 828 OG SER A 55 -15.977 4.186 -3.078 1.00 0.00 O ATOM 0 H SER A 55 -17.500 3.597 1.129 1.00 0.00 H new ATOM 0 HA SER A 55 -16.094 2.902 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.718 3.244 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.691 4.978 -2.258 1.00 0.00 H new ATOM 0 HG SER A 55 -16.298 4.324 -3.994 1.00 0.00 H new ATOM 834 N GLU A 56 -14.734 4.659 0.534 1.00 0.00 N ATOM 835 CA GLU A 56 -13.761 5.640 0.999 1.00 0.00 C ATOM 836 C GLU A 56 -12.824 6.050 -0.133 1.00 0.00 C ATOM 837 O GLU A 56 -12.902 5.514 -1.239 1.00 0.00 O ATOM 838 CB GLU A 56 -12.949 5.069 2.163 1.00 0.00 C ATOM 839 CG GLU A 56 -12.395 3.681 1.891 1.00 0.00 C ATOM 840 CD GLU A 56 -10.913 3.578 2.189 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.217 4.611 2.096 1.00 0.00 O ATOM 842 OE2 GLU A 56 -10.448 2.466 2.516 1.00 0.00 O ATOM 0 H GLU A 56 -14.628 3.731 0.944 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.303 6.522 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.123 5.744 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.579 5.033 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.935 2.953 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.571 3.421 0.847 1.00 0.00 H new ATOM 849 N SER A 57 -11.938 6.998 0.151 1.00 0.00 N ATOM 850 CA SER A 57 -10.986 7.474 -0.845 1.00 0.00 C ATOM 851 C SER A 57 -9.883 6.445 -1.071 1.00 0.00 C ATOM 852 O SER A 57 -9.290 6.383 -2.149 1.00 0.00 O ATOM 853 CB SER A 57 -10.375 8.807 -0.404 1.00 0.00 C ATOM 854 OG SER A 57 -9.309 8.604 0.509 1.00 0.00 O ATOM 0 H SER A 57 -11.859 7.451 1.061 1.00 0.00 H new ATOM 0 HA SER A 57 -11.521 7.623 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.012 9.350 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.142 9.426 0.060 1.00 0.00 H new ATOM 0 HG SER A 57 -8.935 9.470 0.773 1.00 0.00 H new ATOM 860 N THR A 58 -9.612 5.640 -0.048 1.00 0.00 N ATOM 861 CA THR A 58 -8.579 4.617 -0.136 1.00 0.00 C ATOM 862 C THR A 58 -7.234 5.239 -0.491 1.00 0.00 C ATOM 863 O THR A 58 -7.175 6.245 -1.198 1.00 0.00 O ATOM 864 CB THR A 58 -8.954 3.563 -1.180 1.00 0.00 C ATOM 865 OG1 THR A 58 -9.836 4.107 -2.148 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.618 2.341 -0.583 1.00 0.00 C ATOM 0 H THR A 58 -10.094 5.677 0.850 1.00 0.00 H new ATOM 0 HA THR A 58 -8.497 4.136 0.839 1.00 0.00 H new ATOM 0 HB THR A 58 -8.012 3.257 -1.635 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.393 4.845 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.858 1.633 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.941 1.871 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.534 2.638 -0.072 1.00 0.00 H new ATOM 874 N CYS A 59 -6.158 4.635 -0.002 1.00 0.00 N ATOM 875 CA CYS A 59 -4.818 5.135 -0.276 1.00 0.00 C ATOM 876 C CYS A 59 -3.761 4.334 0.479 1.00 0.00 C ATOM 877 O CYS A 59 -3.779 4.262 1.708 1.00 0.00 O ATOM 878 CB CYS A 59 -4.714 6.619 0.084 1.00 0.00 C ATOM 879 SG CYS A 59 -5.034 6.989 1.840 1.00 0.00 S ATOM 0 H CYS A 59 -6.187 3.801 0.584 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.632 5.017 -1.344 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.716 6.974 -0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.421 7.180 -0.528 1.00 0.00 H new ATOM 884 N CYS A 60 -2.837 3.740 -0.269 1.00 0.00 N ATOM 885 CA CYS A 60 -1.763 2.948 0.319 1.00 0.00 C ATOM 886 C CYS A 60 -0.494 3.784 0.460 1.00 0.00 C ATOM 887 O CYS A 60 0.557 3.427 -0.069 1.00 0.00 O ATOM 888 CB CYS A 60 -1.482 1.714 -0.544 1.00 0.00 C ATOM 889 SG CYS A 60 -1.629 0.128 0.344 1.00 0.00 S ATOM 0 H CYS A 60 -2.811 3.793 -1.287 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.079 2.624 1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.172 1.710 -1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.476 1.795 -0.956 1.00 0.00 H new ATOM 894 N VAL A 61 -0.601 4.904 1.173 1.00 0.00 N ATOM 895 CA VAL A 61 0.540 5.790 1.376 1.00 0.00 C ATOM 896 C VAL A 61 1.502 5.231 2.416 1.00 0.00 C ATOM 897 O VAL A 61 1.913 5.932 3.340 1.00 0.00 O ATOM 898 CB VAL A 61 0.095 7.200 1.807 1.00 0.00 C ATOM 899 CG1 VAL A 61 1.289 8.142 1.869 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.969 7.737 0.862 1.00 0.00 C ATOM 0 H VAL A 61 -1.464 5.217 1.618 1.00 0.00 H new ATOM 0 HA VAL A 61 1.052 5.859 0.416 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.339 7.135 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.955 9.133 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.013 7.764 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.755 8.204 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.271 8.734 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.565 7.788 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.834 7.074 0.874 1.00 0.00 H new ATOM 910 N ALA A 62 1.867 3.969 2.241 1.00 0.00 N ATOM 911 CA ALA A 62 2.795 3.291 3.139 1.00 0.00 C ATOM 912 C ALA A 62 2.555 3.640 4.606 1.00 0.00 C ATOM 913 O ALA A 62 2.774 4.774 5.032 1.00 0.00 O ATOM 914 CB ALA A 62 4.224 3.625 2.749 1.00 0.00 C ATOM 0 H ALA A 62 1.530 3.386 1.475 1.00 0.00 H new ATOM 0 HA ALA A 62 2.622 2.220 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.913 3.116 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.408 3.297 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.378 4.702 2.818 1.00 0.00 H new ATOM 920 N LYS A 63 2.145 2.643 5.385 1.00 0.00 N ATOM 921 CA LYS A 63 1.920 2.828 6.811 1.00 0.00 C ATOM 922 C LYS A 63 3.189 3.364 7.451 1.00 0.00 C ATOM 923 O LYS A 63 3.151 4.201 8.352 1.00 0.00 O ATOM 924 CB LYS A 63 1.546 1.496 7.460 1.00 0.00 C ATOM 925 CG LYS A 63 0.975 1.642 8.861 1.00 0.00 C ATOM 926 CD LYS A 63 0.839 0.295 9.550 1.00 0.00 C ATOM 927 CE LYS A 63 -0.549 0.107 10.141 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.010 1.317 10.875 1.00 0.00 N ATOM 0 H LYS A 63 1.962 1.697 5.049 1.00 0.00 H new ATOM 0 HA LYS A 63 1.104 3.535 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.816 0.987 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.430 0.860 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.621 2.291 9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.001 2.125 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.042 -0.502 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.586 0.212 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.255 -0.124 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.542 -0.747 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.593 1.029 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.185 1.853 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.574 1.915 10.238 1.00 0.00 H new ATOM 942 N SER A 64 4.312 2.869 6.953 1.00 0.00 N ATOM 943 CA SER A 64 5.625 3.276 7.433 1.00 0.00 C ATOM 944 C SER A 64 6.598 3.322 6.264 1.00 0.00 C ATOM 945 O SER A 64 6.838 2.312 5.613 1.00 0.00 O ATOM 946 CB SER A 64 6.126 2.308 8.507 1.00 0.00 C ATOM 947 OG SER A 64 5.274 2.319 9.639 1.00 0.00 O ATOM 0 H SER A 64 4.340 2.175 6.206 1.00 0.00 H new ATOM 0 HA SER A 64 5.552 4.268 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.178 1.300 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.137 2.583 8.806 1.00 0.00 H new ATOM 0 HG SER A 64 5.614 1.691 10.311 1.00 0.00 H new ATOM 953 N TYR A 65 7.127 4.504 5.979 1.00 0.00 N ATOM 954 CA TYR A 65 8.043 4.672 4.855 1.00 0.00 C ATOM 955 C TYR A 65 9.483 4.852 5.290 1.00 0.00 C ATOM 956 O TYR A 65 9.769 5.225 6.428 1.00 0.00 O ATOM 957 CB TYR A 65 7.652 5.897 4.037 1.00 0.00 C ATOM 958 CG TYR A 65 7.167 7.061 4.871 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.859 7.116 5.336 1.00 0.00 C ATOM 960 CD2 TYR A 65 8.021 8.109 5.191 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.416 8.181 6.098 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.586 9.177 5.952 1.00 0.00 C ATOM 963 CZ TYR A 65 6.284 9.209 6.403 1.00 0.00 C ATOM 964 OH TYR A 65 5.847 10.270 7.163 1.00 0.00 O ATOM 0 H TYR A 65 6.940 5.357 6.506 1.00 0.00 H new ATOM 0 HA TYR A 65 7.968 3.758 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.511 6.218 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.869 5.616 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.177 6.313 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.042 8.089 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.396 8.208 6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.263 9.983 6.192 1.00 0.00 H new ATOM 0 HH TYR A 65 6.581 10.907 7.288 1.00 0.00 H new ATOM 974 N ASN A 66 10.380 4.643 4.336 1.00 0.00 N ATOM 975 CA ASN A 66 11.801 4.843 4.567 1.00 0.00 C ATOM 976 C ASN A 66 12.344 5.645 3.408 1.00 0.00 C ATOM 977 O ASN A 66 13.511 5.556 3.030 1.00 0.00 O ATOM 978 CB ASN A 66 12.540 3.521 4.708 1.00 0.00 C ATOM 979 CG ASN A 66 13.106 3.306 6.096 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.375 3.299 7.085 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.419 3.127 6.174 1.00 0.00 N ATOM 0 H ASN A 66 10.146 4.334 3.392 1.00 0.00 H new ATOM 0 HA ASN A 66 11.950 5.378 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.860 2.703 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.351 3.485 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.860 2.976 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.987 3.141 5.327 1.00 0.00 H new ATOM 988 N ARG A 67 11.428 6.416 2.865 1.00 0.00 N ATOM 989 CA ARG A 67 11.661 7.291 1.724 1.00 0.00 C ATOM 990 C ARG A 67 13.124 7.343 1.320 1.00 0.00 C ATOM 991 O ARG A 67 14.013 7.573 2.138 1.00 0.00 O ATOM 992 CB ARG A 67 11.149 8.688 2.048 1.00 0.00 C ATOM 993 CG ARG A 67 11.407 9.081 3.482 1.00 0.00 C ATOM 994 CD ARG A 67 11.282 10.581 3.688 1.00 0.00 C ATOM 995 NE ARG A 67 12.583 11.246 3.670 1.00 0.00 N ATOM 996 CZ ARG A 67 12.946 12.156 2.764 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.116 12.508 1.789 1.00 0.00 N ATOM 998 NH2 ARG A 67 14.146 12.715 2.837 1.00 0.00 N ATOM 0 H ARG A 67 10.470 6.457 3.212 1.00 0.00 H new ATOM 0 HA ARG A 67 11.116 6.882 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.627 9.409 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.078 8.734 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.701 8.565 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.406 8.756 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.648 11.003 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.788 10.776 4.640 1.00 0.00 H new ATOM 0 HE ARG A 67 13.256 10.999 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.191 12.082 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.403 13.205 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.788 12.449 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.427 13.411 2.146 1.00 0.00 H new ATOM 1012 N VAL A 68 13.347 7.137 0.033 1.00 0.00 N ATOM 1013 CA VAL A 68 14.683 7.158 -0.541 1.00 0.00 C ATOM 1014 C VAL A 68 14.671 7.881 -1.881 1.00 0.00 C ATOM 1015 O VAL A 68 15.111 7.340 -2.892 1.00 0.00 O ATOM 1016 CB VAL A 68 15.230 5.731 -0.754 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.062 4.875 0.493 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.550 5.072 -1.946 1.00 0.00 C ATOM 0 H VAL A 68 12.607 6.950 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 68 15.329 7.682 0.163 1.00 0.00 H new ATOM 0 HB VAL A 68 16.297 5.814 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.458 3.877 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.603 5.330 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.004 4.804 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.948 4.066 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.476 5.016 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.738 5.661 -2.844 1.00 0.00 H new ATOM 1028 N THR A 69 14.147 9.098 -1.889 1.00 0.00 N ATOM 1029 CA THR A 69 14.059 9.877 -3.113 1.00 0.00 C ATOM 1030 C THR A 69 15.109 9.447 -4.122 1.00 0.00 C ATOM 1031 O THR A 69 16.311 9.551 -3.875 1.00 0.00 O ATOM 1032 CB THR A 69 14.207 11.369 -2.845 1.00 0.00 C ATOM 1033 OG1 THR A 69 13.060 11.883 -2.189 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.410 12.161 -4.118 1.00 0.00 C ATOM 0 H THR A 69 13.777 9.566 -1.062 1.00 0.00 H new ATOM 0 HA THR A 69 13.068 9.690 -3.526 1.00 0.00 H new ATOM 0 HB THR A 69 15.088 11.476 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.257 11.635 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.510 13.219 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.314 11.816 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.552 12.019 -4.776 1.00 0.00 H new ATOM 1042 N VAL A 70 14.640 8.971 -5.261 1.00 0.00 N ATOM 1043 CA VAL A 70 15.519 8.527 -6.327 1.00 0.00 C ATOM 1044 C VAL A 70 15.470 9.470 -7.507 1.00 0.00 C ATOM 1045 O VAL A 70 14.872 10.544 -7.448 1.00 0.00 O ATOM 1046 CB VAL A 70 15.157 7.118 -6.832 1.00 0.00 C ATOM 1047 CG1 VAL A 70 16.384 6.220 -6.836 1.00 0.00 C ATOM 1048 CG2 VAL A 70 14.040 6.511 -5.995 1.00 0.00 C ATOM 0 H VAL A 70 13.646 8.882 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 70 16.521 8.510 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 70 14.796 7.205 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.108 5.229 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.144 6.645 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.780 6.141 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.803 5.516 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.362 6.438 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.154 7.143 -6.057 1.00 0.00 H new ATOM 1058 N MET A 71 16.099 9.040 -8.581 1.00 0.00 N ATOM 1059 CA MET A 71 16.146 9.808 -9.808 1.00 0.00 C ATOM 1060 C MET A 71 16.096 11.300 -9.533 1.00 0.00 C ATOM 1061 O MET A 71 16.567 11.773 -8.499 1.00 0.00 O ATOM 1062 CB MET A 71 14.988 9.407 -10.713 1.00 0.00 C ATOM 1063 CG MET A 71 15.241 8.104 -11.425 1.00 0.00 C ATOM 1064 SD MET A 71 14.786 8.156 -13.168 1.00 0.00 S ATOM 1065 CE MET A 71 16.304 8.774 -13.892 1.00 0.00 C ATOM 0 H MET A 71 16.592 8.148 -8.628 1.00 0.00 H new ATOM 0 HA MET A 71 17.091 9.591 -10.305 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.078 9.323 -10.119 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.816 10.193 -11.449 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.297 7.848 -11.338 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.679 7.311 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.183 8.862 -14.972 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.536 9.753 -13.472 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.119 8.083 -13.674 1.00 0.00 H new ATOM 1075 N GLY A 72 15.525 12.036 -10.473 1.00 0.00 N ATOM 1076 CA GLY A 72 15.420 13.463 -10.327 1.00 0.00 C ATOM 1077 C GLY A 72 14.914 13.879 -8.958 1.00 0.00 C ATOM 1078 O GLY A 72 15.114 15.018 -8.536 1.00 0.00 O ATOM 0 H GLY A 72 15.132 11.664 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.397 13.914 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.748 13.853 -11.092 1.00 0.00 H new ATOM 1082 N GLY A 73 14.257 12.954 -8.261 1.00 0.00 N ATOM 1083 CA GLY A 73 13.734 13.252 -6.942 1.00 0.00 C ATOM 1084 C GLY A 73 12.524 12.407 -6.588 1.00 0.00 C ATOM 1085 O GLY A 73 11.630 12.859 -5.872 1.00 0.00 O ATOM 0 H GLY A 73 14.079 12.004 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.516 13.089 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.463 14.307 -6.893 1.00 0.00 H new ATOM 1089 N PHE A 74 12.494 11.176 -7.091 1.00 0.00 N ATOM 1090 CA PHE A 74 11.388 10.262 -6.825 1.00 0.00 C ATOM 1091 C PHE A 74 11.141 10.132 -5.325 1.00 0.00 C ATOM 1092 O PHE A 74 11.840 10.745 -4.522 1.00 0.00 O ATOM 1093 CB PHE A 74 11.685 8.890 -7.435 1.00 0.00 C ATOM 1094 CG PHE A 74 11.480 8.851 -8.923 1.00 0.00 C ATOM 1095 CD1 PHE A 74 11.230 10.018 -9.629 1.00 0.00 C ATOM 1096 CD2 PHE A 74 11.537 7.653 -9.617 1.00 0.00 C ATOM 1097 CE1 PHE A 74 11.040 9.992 -10.997 1.00 0.00 C ATOM 1098 CE2 PHE A 74 11.348 7.619 -10.986 1.00 0.00 C ATOM 1099 CZ PHE A 74 11.100 8.791 -11.677 1.00 0.00 C ATOM 0 H PHE A 74 13.225 10.788 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 74 10.486 10.667 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.715 8.613 -7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.044 8.144 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.183 10.960 -9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.731 6.735 -9.082 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.845 10.909 -11.534 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.394 6.679 -11.515 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.953 8.767 -12.747 1.00 0.00 H new ATOM 1109 N LYS A 75 10.143 9.332 -4.953 1.00 0.00 N ATOM 1110 CA LYS A 75 9.814 9.129 -3.544 1.00 0.00 C ATOM 1111 C LYS A 75 9.115 7.788 -3.328 1.00 0.00 C ATOM 1112 O LYS A 75 7.928 7.641 -3.616 1.00 0.00 O ATOM 1113 CB LYS A 75 8.919 10.261 -3.028 1.00 0.00 C ATOM 1114 CG LYS A 75 9.296 11.638 -3.553 1.00 0.00 C ATOM 1115 CD LYS A 75 8.706 11.888 -4.930 1.00 0.00 C ATOM 1116 CE LYS A 75 7.203 12.102 -4.856 1.00 0.00 C ATOM 1117 NZ LYS A 75 6.472 11.243 -5.828 1.00 0.00 N ATOM 0 H LYS A 75 9.551 8.816 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 75 10.750 9.129 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.886 10.048 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.961 10.275 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.943 12.402 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.381 11.727 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.178 12.763 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.923 11.041 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.855 11.885 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.975 13.149 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.450 11.418 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.786 11.467 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.669 10.242 -5.624 1.00 0.00 H new ATOM 1131 N VAL A 76 9.859 6.816 -2.807 1.00 0.00 N ATOM 1132 CA VAL A 76 9.314 5.488 -2.533 1.00 0.00 C ATOM 1133 C VAL A 76 8.996 5.356 -1.084 1.00 0.00 C ATOM 1134 O VAL A 76 8.755 4.256 -0.586 1.00 0.00 O ATOM 1135 CB VAL A 76 10.336 4.384 -2.876 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.628 4.387 -4.367 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.597 4.665 -2.072 1.00 0.00 C ATOM 0 H VAL A 76 10.844 6.923 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 76 8.420 5.374 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 76 9.944 3.399 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.350 3.604 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.706 4.204 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.038 5.355 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.345 3.902 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.990 5.645 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.361 4.649 -1.008 1.00 0.00 H new ATOM 1147 N GLU A 77 9.043 6.478 -0.406 1.00 0.00 N ATOM 1148 CA GLU A 77 8.816 6.484 1.031 1.00 0.00 C ATOM 1149 C GLU A 77 9.248 5.117 1.511 1.00 0.00 C ATOM 1150 O GLU A 77 8.566 4.459 2.292 1.00 0.00 O ATOM 1151 CB GLU A 77 7.340 6.741 1.347 1.00 0.00 C ATOM 1152 CG GLU A 77 6.520 7.145 0.133 1.00 0.00 C ATOM 1153 CD GLU A 77 6.646 8.620 -0.195 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.862 9.420 0.741 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.530 8.975 -1.386 1.00 0.00 O ATOM 0 H GLU A 77 9.234 7.393 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 77 9.375 7.277 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.908 5.840 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.269 7.526 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.839 6.557 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.472 6.905 0.312 1.00 0.00 H new ATOM 1162 N ASN A 78 10.363 4.676 0.916 1.00 0.00 N ATOM 1163 CA ASN A 78 10.893 3.345 1.123 1.00 0.00 C ATOM 1164 C ASN A 78 9.950 2.587 2.015 1.00 0.00 C ATOM 1165 O ASN A 78 10.251 2.247 3.159 1.00 0.00 O ATOM 1166 CB ASN A 78 12.313 3.316 1.654 1.00 0.00 C ATOM 1167 CG ASN A 78 12.855 1.922 1.468 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.827 1.387 0.360 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.350 1.324 2.530 1.00 0.00 N ATOM 0 H ASN A 78 10.918 5.244 0.276 1.00 0.00 H new ATOM 0 HA ASN A 78 10.962 2.863 0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.932 4.039 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.331 3.594 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.354 1.804 3.430 1.00 0.00 H new ATOM 1174 N HIS A 79 8.771 2.392 1.462 1.00 0.00 N ATOM 1175 CA HIS A 79 7.686 1.748 2.150 1.00 0.00 C ATOM 1176 C HIS A 79 8.133 0.603 3.020 1.00 0.00 C ATOM 1177 O HIS A 79 8.723 -0.369 2.573 1.00 0.00 O ATOM 1178 CB HIS A 79 6.610 1.334 1.154 1.00 0.00 C ATOM 1179 CG HIS A 79 6.049 2.539 0.489 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.030 2.553 -0.432 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.424 3.819 0.654 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.827 3.827 -0.795 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.651 4.640 -0.160 1.00 0.00 N ATOM 0 H HIS A 79 8.543 2.682 0.511 1.00 0.00 H new ATOM 0 HA HIS A 79 7.256 2.474 2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.031 0.659 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.818 0.788 1.666 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.520 1.740 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.206 4.158 1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.086 4.147 -1.513 1.00 0.00 H new ATOM 1191 N THR A 80 7.831 0.758 4.283 1.00 0.00 N ATOM 1192 CA THR A 80 8.160 -0.232 5.288 1.00 0.00 C ATOM 1193 C THR A 80 6.879 -0.902 5.781 1.00 0.00 C ATOM 1194 O THR A 80 6.915 -1.883 6.524 1.00 0.00 O ATOM 1195 CB THR A 80 8.922 0.438 6.428 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.036 0.879 7.441 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.725 1.634 5.954 1.00 0.00 C ATOM 0 H THR A 80 7.347 1.577 4.650 1.00 0.00 H new ATOM 0 HA THR A 80 8.800 -1.005 4.863 1.00 0.00 H new ATOM 0 HB THR A 80 9.602 -0.317 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.532 1.005 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.250 2.078 6.800 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.449 1.312 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.054 2.372 5.516 1.00 0.00 H new ATOM 1205 N ALA A 81 5.747 -0.358 5.332 1.00 0.00 N ATOM 1206 CA ALA A 81 4.431 -0.873 5.677 1.00 0.00 C ATOM 1207 C ALA A 81 3.372 -0.122 4.878 1.00 0.00 C ATOM 1208 O ALA A 81 3.506 1.080 4.659 1.00 0.00 O ATOM 1209 CB ALA A 81 4.175 -0.736 7.171 1.00 0.00 C ATOM 0 H ALA A 81 5.722 0.455 4.717 1.00 0.00 H new ATOM 0 HA ALA A 81 4.384 -1.933 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.185 -1.127 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.929 -1.298 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.227 0.315 7.454 1.00 0.00 H new ATOM 1215 N CYS A 82 2.330 -0.816 4.430 1.00 0.00 N ATOM 1216 CA CYS A 82 1.280 -0.162 3.652 1.00 0.00 C ATOM 1217 C CYS A 82 -0.055 -0.193 4.382 1.00 0.00 C ATOM 1218 O CYS A 82 -0.259 -0.977 5.310 1.00 0.00 O ATOM 1219 CB CYS A 82 1.109 -0.812 2.276 1.00 0.00 C ATOM 1220 SG CYS A 82 2.654 -1.368 1.493 1.00 0.00 S ATOM 0 H CYS A 82 2.190 -1.814 4.588 1.00 0.00 H new ATOM 0 HA CYS A 82 1.594 0.874 3.520 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.441 -1.668 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.619 -0.100 1.612 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.966 0.660 3.933 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.301 0.743 4.507 1.00 0.00 C ATOM 1227 C HIS A 83 -3.218 1.529 3.586 1.00 0.00 C ATOM 1228 O HIS A 83 -3.106 2.749 3.466 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.265 1.397 5.884 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.019 2.873 5.842 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.971 3.805 6.200 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.922 3.581 5.476 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.473 5.020 6.054 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.232 4.912 5.617 1.00 0.00 N ATOM 0 H HIS A 83 -0.801 1.310 3.165 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.685 -0.271 4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.212 1.210 6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.485 0.924 6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.019 3.175 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.993 5.944 6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.605 5.691 5.416 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.120 0.815 2.933 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.065 1.430 2.009 1.00 0.00 C ATOM 1245 C CYS A 84 -6.317 1.885 2.743 1.00 0.00 C ATOM 1246 O CYS A 84 -7.060 1.069 3.289 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.443 0.445 0.900 1.00 0.00 C ATOM 1248 SG CYS A 84 -4.590 0.739 -0.684 1.00 0.00 S ATOM 0 H CYS A 84 -4.220 -0.196 3.025 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.585 2.301 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.220 -0.567 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.519 0.496 0.735 1.00 0.00 H new ATOM 1253 N SER A 85 -6.549 3.192 2.754 1.00 0.00 N ATOM 1254 CA SER A 85 -7.717 3.746 3.425 1.00 0.00 C ATOM 1255 C SER A 85 -7.561 5.246 3.654 1.00 0.00 C ATOM 1256 O SER A 85 -6.447 5.746 3.795 1.00 0.00 O ATOM 1257 CB SER A 85 -7.945 3.034 4.760 1.00 0.00 C ATOM 1258 OG SER A 85 -8.072 3.965 5.820 1.00 0.00 O ATOM 0 H SER A 85 -5.947 3.884 2.308 1.00 0.00 H new ATOM 0 HA SER A 85 -8.582 3.588 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.845 2.422 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.113 2.359 4.962 1.00 0.00 H new ATOM 0 HG SER A 85 -7.370 3.803 6.484 1.00 0.00 H new ATOM 1264 N THR A 86 -8.690 5.951 3.688 1.00 0.00 N ATOM 1265 CA THR A 86 -8.692 7.397 3.898 1.00 0.00 C ATOM 1266 C THR A 86 -7.436 7.851 4.636 1.00 0.00 C ATOM 1267 O THR A 86 -7.313 7.664 5.847 1.00 0.00 O ATOM 1268 CB THR A 86 -9.938 7.816 4.684 1.00 0.00 C ATOM 1269 OG1 THR A 86 -11.098 7.699 3.882 1.00 0.00 O ATOM 1270 CG2 THR A 86 -9.875 9.239 5.195 1.00 0.00 C ATOM 0 H THR A 86 -9.618 5.543 3.572 1.00 0.00 H new ATOM 0 HA THR A 86 -8.705 7.877 2.919 1.00 0.00 H new ATOM 0 HB THR A 86 -9.979 7.142 5.540 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.884 7.969 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.789 9.470 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.017 9.350 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.774 9.924 4.353 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.504 8.445 3.897 1.00 0.00 N ATOM 1279 CA CYS A 87 -5.254 8.924 4.477 1.00 0.00 C ATOM 1280 C CYS A 87 -5.515 9.968 5.557 1.00 0.00 C ATOM 1281 O CYS A 87 -6.366 10.843 5.396 1.00 0.00 O ATOM 1282 CB CYS A 87 -4.358 9.513 3.389 1.00 0.00 C ATOM 1283 SG CYS A 87 -3.536 8.265 2.343 1.00 0.00 S ATOM 0 H CYS A 87 -6.591 8.606 2.894 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.749 8.075 4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.957 10.166 2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.597 10.136 3.858 1.00 0.00 H new ATOM 1288 N TYR A 88 -4.775 9.872 6.656 1.00 0.00 N ATOM 1289 CA TYR A 88 -4.921 10.809 7.763 1.00 0.00 C ATOM 1290 C TYR A 88 -6.341 10.784 8.319 1.00 0.00 C ATOM 1291 O TYR A 88 -7.132 11.693 8.067 1.00 0.00 O ATOM 1292 CB TYR A 88 -4.567 12.227 7.312 1.00 0.00 C ATOM 1293 CG TYR A 88 -4.796 13.273 8.380 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -4.121 13.212 9.592 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -5.684 14.323 8.175 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -4.326 14.166 10.572 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -5.894 15.280 9.150 1.00 0.00 C ATOM 1298 CZ TYR A 88 -5.212 15.197 10.346 1.00 0.00 C ATOM 1299 OH TYR A 88 -5.418 16.149 11.318 1.00 0.00 O ATOM 0 H TYR A 88 -4.067 9.153 6.804 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.235 10.502 8.553 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.521 12.253 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.161 12.480 6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.425 12.406 9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.218 14.392 7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.794 14.103 11.510 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.589 16.089 8.976 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.072 16.806 10.999 1.00 0.00 H new ATOM 1309 N TYR A 89 -6.656 9.744 9.084 1.00 0.00 N ATOM 1310 CA TYR A 89 -7.980 9.609 9.681 1.00 0.00 C ATOM 1311 C TYR A 89 -8.104 8.294 10.445 1.00 0.00 C ATOM 1312 O TYR A 89 -8.769 7.363 9.993 1.00 0.00 O ATOM 1313 CB TYR A 89 -9.064 9.688 8.605 1.00 0.00 C ATOM 1314 CG TYR A 89 -10.470 9.658 9.164 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -10.920 10.653 10.025 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -11.348 8.633 8.832 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -12.203 10.626 10.540 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -12.632 8.599 9.342 1.00 0.00 C ATOM 1319 CZ TYR A 89 -13.055 9.596 10.195 1.00 0.00 C ATOM 1320 OH TYR A 89 -14.332 9.565 10.705 1.00 0.00 O ATOM 0 H TYR A 89 -6.014 8.983 9.305 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.115 10.432 10.383 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.929 10.604 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.939 8.856 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.256 11.461 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.021 7.850 8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.537 11.406 11.208 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -13.301 7.795 9.073 1.00 0.00 H new ATOM 0 HH TYR A 89 -14.802 8.776 10.363 1.00 0.00 H new ATOM 1330 N HIS A 90 -7.462 8.229 11.607 1.00 0.00 N ATOM 1331 CA HIS A 90 -7.501 7.030 12.437 1.00 0.00 C ATOM 1332 C HIS A 90 -8.874 6.854 13.080 1.00 0.00 C ATOM 1333 O HIS A 90 -9.281 7.651 13.926 1.00 0.00 O ATOM 1334 CB HIS A 90 -6.425 7.104 13.521 1.00 0.00 C ATOM 1335 CG HIS A 90 -5.133 7.693 13.046 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -4.635 7.491 11.775 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -4.232 8.483 13.679 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -3.484 8.129 11.648 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -3.219 8.738 12.788 1.00 0.00 N ATOM 0 H HIS A 90 -6.908 8.993 11.995 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.308 6.169 11.797 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -6.801 7.698 14.354 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.238 6.101 13.904 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.298 8.844 14.695 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.866 8.148 10.762 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -2.394 9.307 12.977 1.00 0.00 H new ATOM 1348 N LYS A 91 -9.581 5.804 12.678 1.00 0.00 N ATOM 1349 CA LYS A 91 -10.904 5.525 13.222 1.00 0.00 C ATOM 1350 C LYS A 91 -10.795 4.946 14.629 1.00 0.00 C ATOM 1351 O LYS A 91 -11.244 3.831 14.891 1.00 0.00 O ATOM 1352 CB LYS A 91 -11.659 4.554 12.309 1.00 0.00 C ATOM 1353 CG LYS A 91 -11.345 4.738 10.832 1.00 0.00 C ATOM 1354 CD LYS A 91 -10.532 3.576 10.285 1.00 0.00 C ATOM 1355 CE LYS A 91 -10.535 3.558 8.764 1.00 0.00 C ATOM 1356 NZ LYS A 91 -9.255 3.031 8.213 1.00 0.00 N ATOM 0 H LYS A 91 -9.261 5.134 11.979 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.458 6.462 13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.416 3.532 12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.730 4.682 12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.275 4.829 10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.794 5.668 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.506 3.647 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.939 2.637 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.363 2.944 8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.703 4.568 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.041 3.509 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.486 3.208 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.343 2.008 8.048 1.00 0.00 H new ATOM 1370 N SER A 92 -10.188 5.713 15.529 1.00 0.00 N ATOM 1371 CA SER A 92 -10.010 5.280 16.910 1.00 0.00 C ATOM 1372 C SER A 92 -10.474 6.358 17.883 1.00 0.00 C ATOM 1373 O SER A 92 -9.990 7.505 17.770 1.00 0.00 O ATOM 1374 CB SER A 92 -8.541 4.938 17.170 1.00 0.00 C ATOM 1375 OG SER A 92 -7.903 4.498 15.983 1.00 0.00 O ATOM 1376 OXT SER A 92 -11.316 6.049 18.752 1.00 0.00 O ATOM 0 H SER A 92 -9.811 6.639 15.326 1.00 0.00 H new ATOM 0 HA SER A 92 -10.618 4.390 17.068 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.024 5.814 17.561 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.474 4.162 17.932 1.00 0.00 H new ATOM 0 HG SER A 92 -6.965 4.287 16.174 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.724 -0.062 2.440 1.00 0.00 C HETATM 1384 C2 NAG A 178 15.203 -0.233 2.734 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.578 -1.702 2.663 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.663 -2.529 3.549 1.00 0.00 C HETATM 1387 C5 NAG A 178 13.200 -2.218 3.256 1.00 0.00 C HETATM 1388 C6 NAG A 178 12.249 -2.905 4.216 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.779 1.495 2.160 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.548 2.249 1.086 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.977 0.514 1.763 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.919 -1.861 3.099 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.899 -3.928 3.298 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.942 -0.817 3.363 1.00 0.00 O HETATM 1395 O6 NAG A 178 10.897 -2.589 3.913 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.919 1.803 3.344 1.00 0.00 O HETATM 0 HO6 NAG A 178 10.860 -1.736 3.432 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.972 -2.613 3.725 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.906 0.286 0.771 1.00 0.00 H new HETATM 0 H83 NAG A 178 18.189 1.555 0.542 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.846 2.713 0.394 1.00 0.00 H new HETATM 0 H81 NAG A 178 18.162 3.020 1.552 1.00 0.00 H new HETATM 0 H62 NAG A 178 12.393 -3.984 4.165 1.00 0.00 H new HETATM 0 H61 NAG A 178 12.476 -2.601 5.238 1.00 0.00 H new HETATM 0 H5 NAG A 178 13.029 -2.582 2.243 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.875 -2.285 4.590 1.00 0.00 H new HETATM 0 H3 NAG A 178 15.473 -2.044 1.633 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.416 0.141 3.736 1.00 0.00 H new HETATM 1410 C1 NAG A 179 15.099 -4.717 4.416 1.00 0.00 C HETATM 1411 C2 NAG A 179 15.024 -6.183 4.037 1.00 0.00 C HETATM 1412 C3 NAG A 179 15.296 -7.042 5.249 1.00 0.00 C HETATM 1413 C4 NAG A 179 16.611 -6.657 5.886 1.00 0.00 C HETATM 1414 C5 NAG A 179 16.681 -5.158 6.152 1.00 0.00 C HETATM 1415 C6 NAG A 179 18.058 -4.715 6.606 1.00 0.00 C HETATM 1416 C7 NAG A 179 13.348 -6.083 2.310 1.00 0.00 C HETATM 1417 C8 NAG A 179 12.070 -6.667 1.729 1.00 0.00 C HETATM 1418 N2 NAG A 179 13.703 -6.487 3.525 1.00 0.00 N HETATM 1419 O3 NAG A 179 15.350 -8.405 4.856 1.00 0.00 O HETATM 1420 O4 NAG A 179 16.722 -7.340 7.142 1.00 0.00 O HETATM 1421 O5 NAG A 179 16.379 -4.394 4.965 1.00 0.00 O HETATM 1422 O6 NAG A 179 18.127 -3.304 6.745 1.00 0.00 O HETATM 1423 O7 NAG A 179 14.004 -5.275 1.653 1.00 0.00 O HETATM 0 HO6 NAG A 179 17.522 -2.882 6.099 1.00 0.00 H new HETATM 0 HO3 NAG A 179 16.002 -8.880 5.412 1.00 0.00 H new HETATM 0 HN2 NAG A 179 13.044 -7.013 4.099 1.00 0.00 H new HETATM 0 H83 NAG A 179 12.164 -7.751 1.659 1.00 0.00 H new HETATM 0 H82 NAG A 179 11.229 -6.417 2.376 1.00 0.00 H new HETATM 0 H81 NAG A 179 11.899 -6.253 0.735 1.00 0.00 H new HETATM 0 H62 NAG A 179 18.299 -5.188 7.558 1.00 0.00 H new HETATM 0 H61 NAG A 179 18.805 -5.048 5.886 1.00 0.00 H new HETATM 0 H5 NAG A 179 15.946 -4.976 6.936 1.00 0.00 H new HETATM 0 H4 NAG A 179 17.418 -6.930 5.206 1.00 0.00 H new HETATM 0 H3 NAG A 179 14.495 -6.892 5.973 1.00 0.00 H new HETATM 0 H2 NAG A 179 15.771 -6.389 3.271 1.00 0.00 H new HETATM 1437 C1 BMA A 180 17.797 -8.185 7.293 1.00 0.00 C HETATM 1438 C2 BMA A 180 18.162 -8.247 8.761 1.00 0.00 C HETATM 1439 C3 BMA A 180 19.271 -9.253 8.987 1.00 0.00 C HETATM 1440 C4 BMA A 180 18.869 -10.600 8.420 1.00 0.00 C HETATM 1441 C5 BMA A 180 18.464 -10.466 6.956 1.00 0.00 C HETATM 1442 C6 BMA A 180 17.911 -11.759 6.393 1.00 0.00 C HETATM 1443 O2 BMA A 180 17.014 -8.642 9.495 1.00 0.00 O HETATM 1444 O3 BMA A 180 19.521 -9.380 10.403 1.00 0.00 O HETATM 1445 O4 BMA A 180 19.968 -11.492 8.520 1.00 0.00 O HETATM 1446 O5 BMA A 180 17.427 -9.475 6.785 1.00 0.00 O HETATM 1447 O6 BMA A 180 18.724 -12.873 6.807 1.00 0.00 O HETATM 0 HO4 BMA A 180 20.534 -11.230 9.276 1.00 0.00 H new HETATM 0 HO2 BMA A 180 16.436 -9.193 8.927 1.00 0.00 H new HETATM 0 H62 BMA A 180 16.885 -11.902 6.733 1.00 0.00 H new HETATM 0 H61 BMA A 180 17.881 -11.706 5.305 1.00 0.00 H new HETATM 0 H5 BMA A 180 19.376 -10.181 6.432 1.00 0.00 H new HETATM 0 H4 BMA A 180 18.019 -10.982 8.986 1.00 0.00 H new HETATM 0 H3 BMA A 180 20.176 -8.910 8.485 1.00 0.00 H new HETATM 0 H2 BMA A 180 18.507 -7.267 9.090 1.00 0.00 H new HETATM 1457 C1 MAN A 181 19.485 -8.178 11.119 1.00 0.00 C HETATM 1458 C2 MAN A 181 20.047 -8.420 12.514 1.00 0.00 C HETATM 1459 C3 MAN A 181 19.094 -9.262 13.356 1.00 0.00 C HETATM 1460 C4 MAN A 181 17.698 -8.667 13.335 1.00 0.00 C HETATM 1461 C5 MAN A 181 17.231 -8.474 11.905 1.00 0.00 C HETATM 1462 C6 MAN A 181 15.877 -7.799 11.821 1.00 0.00 C HETATM 1463 O2 MAN A 181 20.243 -7.152 13.160 1.00 0.00 O HETATM 1464 O3 MAN A 181 19.565 -9.297 14.695 1.00 0.00 O HETATM 1465 O4 MAN A 181 16.806 -9.543 14.009 1.00 0.00 O HETATM 1466 O5 MAN A 181 18.160 -7.651 11.177 1.00 0.00 O HETATM 1467 O6 MAN A 181 14.877 -8.562 12.482 1.00 0.00 O HETATM 0 HO6 MAN A 181 14.015 -8.101 12.413 1.00 0.00 H new HETATM 0 HO4 MAN A 181 15.918 -9.485 13.598 1.00 0.00 H new HETATM 0 HO3 MAN A 181 20.542 -9.221 14.700 1.00 0.00 H new HETATM 0 H62 MAN A 181 15.935 -6.807 12.268 1.00 0.00 H new HETATM 0 H61 MAN A 181 15.601 -7.662 10.775 1.00 0.00 H new HETATM 0 H5 MAN A 181 17.164 -9.474 11.476 1.00 0.00 H new HETATM 0 H4 MAN A 181 17.716 -7.698 13.834 1.00 0.00 H new HETATM 0 H3 MAN A 181 19.054 -10.270 12.943 1.00 0.00 H new HETATM 0 H2 MAN A 181 20.990 -8.958 12.419 1.00 0.00 H new HETATM 1478 C1 MAN A 182 19.977 -12.880 6.184 1.00 0.00 C HETATM 1479 C2 MAN A 182 19.782 -12.987 4.679 1.00 0.00 C HETATM 1480 C3 MAN A 182 19.175 -14.329 4.315 1.00 0.00 C HETATM 1481 C4 MAN A 182 20.032 -15.450 4.877 1.00 0.00 C HETATM 1482 C5 MAN A 182 20.228 -15.264 6.378 1.00 0.00 C HETATM 1483 C6 MAN A 182 21.190 -16.275 6.969 1.00 0.00 C HETATM 1484 O2 MAN A 182 21.065 -12.883 4.040 1.00 0.00 O HETATM 1485 O3 MAN A 182 19.112 -14.443 2.903 1.00 0.00 O HETATM 1486 O4 MAN A 182 19.398 -16.698 4.634 1.00 0.00 O HETATM 1487 O5 MAN A 182 20.771 -13.960 6.668 1.00 0.00 O HETATM 1488 O6 MAN A 182 20.681 -17.595 6.859 1.00 0.00 O HETATM 0 HO6 MAN A 182 21.323 -18.226 7.247 1.00 0.00 H new HETATM 0 HO4 MAN A 182 19.652 -17.336 5.334 1.00 0.00 H new HETATM 0 HO3 MAN A 182 19.914 -14.043 2.506 1.00 0.00 H new HETATM 0 H62 MAN A 182 22.150 -16.209 6.457 1.00 0.00 H new HETATM 0 H61 MAN A 182 21.371 -16.039 8.018 1.00 0.00 H new HETATM 0 H5 MAN A 182 19.239 -15.393 6.818 1.00 0.00 H new HETATM 0 H4 MAN A 182 21.006 -15.430 4.388 1.00 0.00 H new HETATM 0 H3 MAN A 182 18.172 -14.401 4.736 1.00 0.00 H new HETATM 0 H2 MAN A 182 19.115 -12.190 4.352 1.00 0.00 H new HETATM 1499 C1 NAG A 183 21.714 -11.662 4.090 1.00 0.00 C HETATM 1500 C2 NAG A 183 23.202 -11.915 3.843 1.00 0.00 C HETATM 1501 C3 NAG A 183 23.958 -10.599 3.794 1.00 0.00 C HETATM 1502 C4 NAG A 183 23.325 -9.673 2.774 1.00 0.00 C HETATM 1503 C5 NAG A 183 21.829 -9.545 3.023 1.00 0.00 C HETATM 1504 C6 NAG A 183 21.128 -8.742 1.946 1.00 0.00 C HETATM 1505 C7 NAG A 183 24.010 -14.015 4.686 1.00 0.00 C HETATM 1506 C8 NAG A 183 24.178 -14.919 5.896 1.00 0.00 C HETATM 1507 N2 NAG A 183 23.725 -12.736 4.916 1.00 0.00 N HETATM 1508 O3 NAG A 183 25.307 -10.850 3.430 1.00 0.00 O HETATM 1509 O4 NAG A 183 23.929 -8.370 2.874 1.00 0.00 O HETATM 1510 O5 NAG A 183 21.198 -10.836 3.052 1.00 0.00 O HETATM 1511 O6 NAG A 183 21.635 -7.417 1.877 1.00 0.00 O HETATM 1512 O7 NAG A 183 24.137 -14.477 3.552 1.00 0.00 O HETATM 0 HO6 NAG A 183 22.184 -7.318 1.071 1.00 0.00 H new HETATM 0 HO3 NAG A 183 25.888 -10.181 3.847 1.00 0.00 H new HETATM 0 HN2 NAG A 183 23.874 -12.336 5.842 1.00 0.00 H new HETATM 0 H83 NAG A 183 24.993 -14.547 6.517 1.00 0.00 H new HETATM 0 H82 NAG A 183 23.255 -14.927 6.475 1.00 0.00 H new HETATM 0 H81 NAG A 183 24.407 -15.932 5.565 1.00 0.00 H new HETATM 0 H62 NAG A 183 21.256 -9.233 0.982 1.00 0.00 H new HETATM 0 H61 NAG A 183 20.057 -8.714 2.149 1.00 0.00 H new HETATM 0 H5 NAG A 183 21.738 -9.037 3.983 1.00 0.00 H new HETATM 0 H4 NAG A 183 23.485 -10.089 1.779 1.00 0.00 H new HETATM 0 H3 NAG A 183 23.920 -10.126 4.775 1.00 0.00 H new HETATM 0 H2 NAG A 183 23.327 -12.426 2.888 1.00 0.00 H new HETATM 1526 C1 NAG A 184 21.511 -6.931 13.658 1.00 0.00 C HETATM 1527 C2 NAG A 184 21.512 -5.672 14.531 1.00 0.00 C HETATM 1528 C3 NAG A 184 22.851 -5.510 15.231 1.00 0.00 C HETATM 1529 C4 NAG A 184 23.210 -6.783 15.968 1.00 0.00 C HETATM 1530 C5 NAG A 184 23.172 -7.964 15.019 1.00 0.00 C HETATM 1531 C6 NAG A 184 23.460 -9.276 15.718 1.00 0.00 C HETATM 1532 C7 NAG A 184 20.281 -3.670 14.000 1.00 0.00 C HETATM 1533 C8 NAG A 184 20.219 -2.361 13.229 1.00 0.00 C HETATM 1534 N2 NAG A 184 21.270 -4.507 13.702 1.00 0.00 N HETATM 1535 O3 NAG A 184 22.768 -4.436 16.157 1.00 0.00 O HETATM 1536 O4 NAG A 184 24.529 -6.671 16.530 1.00 0.00 O HETATM 1537 O5 NAG A 184 21.874 -8.086 14.418 1.00 0.00 O HETATM 1538 O6 NAG A 184 23.359 -10.371 14.819 1.00 0.00 O HETATM 1539 O7 NAG A 184 19.435 -3.916 14.860 1.00 0.00 O HETATM 0 HO6 NAG A 184 22.717 -10.155 14.111 1.00 0.00 H new HETATM 0 HO3 NAG A 184 23.666 -4.214 16.482 1.00 0.00 H new HETATM 0 HN2 NAG A 184 21.860 -4.329 12.889 1.00 0.00 H new HETATM 0 H83 NAG A 184 21.136 -1.797 13.396 1.00 0.00 H new HETATM 0 H82 NAG A 184 20.110 -2.570 12.165 1.00 0.00 H new HETATM 0 H81 NAG A 184 19.366 -1.776 13.573 1.00 0.00 H new HETATM 0 H62 NAG A 184 24.460 -9.249 16.151 1.00 0.00 H new HETATM 0 H61 NAG A 184 22.760 -9.413 16.542 1.00 0.00 H new HETATM 0 H5 NAG A 184 23.942 -7.772 14.271 1.00 0.00 H new HETATM 0 H4 NAG A 184 22.485 -6.937 16.767 1.00 0.00 H new HETATM 0 H3 NAG A 184 23.621 -5.300 14.488 1.00 0.00 H new HETATM 0 H2 NAG A 184 20.726 -5.769 15.280 1.00 0.00 H new HETATM 1553 C1 GAL A 185 24.627 -6.990 17.874 1.00 0.00 C HETATM 1554 C2 GAL A 185 23.988 -5.885 18.702 1.00 0.00 C HETATM 1555 C3 GAL A 185 23.951 -6.272 20.168 1.00 0.00 C HETATM 1556 C4 GAL A 185 23.298 -7.631 20.344 1.00 0.00 C HETATM 1557 C5 GAL A 185 23.964 -8.668 19.451 1.00 0.00 C HETATM 1558 C6 GAL A 185 23.248 -10.005 19.496 1.00 0.00 C HETATM 1559 O2 GAL A 185 24.748 -4.695 18.556 1.00 0.00 O HETATM 1560 O3 GAL A 185 23.205 -5.300 20.887 1.00 0.00 O HETATM 1561 O4 GAL A 185 21.925 -7.534 19.997 1.00 0.00 O HETATM 1562 O5 GAL A 185 23.962 -8.246 18.073 1.00 0.00 O HETATM 1563 O6 GAL A 185 23.224 -10.533 20.813 1.00 0.00 O HETATM 0 HO6 GAL A 185 22.755 -11.394 20.812 1.00 0.00 H new HETATM 0 HO4 GAL A 185 21.813 -7.739 19.045 1.00 0.00 H new HETATM 0 HO3 GAL A 185 22.273 -5.593 20.963 1.00 0.00 H new HETATM 0 HO2 GAL A 185 24.340 -3.979 19.086 1.00 0.00 H new HETATM 0 H62 GAL A 185 22.228 -9.886 19.131 1.00 0.00 H new HETATM 0 H61 GAL A 185 23.745 -10.709 18.829 1.00 0.00 H new HETATM 0 H5 GAL A 185 24.981 -8.772 19.830 1.00 0.00 H new HETATM 0 H4 GAL A 185 23.407 -7.941 21.383 1.00 0.00 H new HETATM 0 H3 GAL A 185 24.972 -6.320 20.546 1.00 0.00 H new HETATM 0 H2 GAL A 185 22.968 -5.728 18.352 1.00 0.00 H new HETATM 1575 C1 GAL A 186 24.572 -7.911 1.737 1.00 0.00 C HETATM 1576 C2 GAL A 186 25.867 -8.686 1.532 1.00 0.00 C HETATM 1577 C3 GAL A 186 26.525 -8.282 0.227 1.00 0.00 C HETATM 1578 C4 GAL A 186 25.542 -8.403 -0.922 1.00 0.00 C HETATM 1579 C5 GAL A 186 24.260 -7.643 -0.614 1.00 0.00 C HETATM 1580 C6 GAL A 186 23.201 -7.843 -1.679 1.00 0.00 C HETATM 1581 O2 GAL A 186 26.754 -8.408 2.606 1.00 0.00 O HETATM 1582 O3 GAL A 186 27.636 -9.130 -0.016 1.00 0.00 O HETATM 1583 O4 GAL A 186 25.232 -9.774 -1.126 1.00 0.00 O HETATM 1584 O5 GAL A 186 23.681 -8.084 0.630 1.00 0.00 O HETATM 1585 O6 GAL A 186 21.991 -7.189 -1.331 1.00 0.00 O HETATM 0 HO6 GAL A 186 21.326 -7.334 -2.036 1.00 0.00 H new HETATM 0 HO4 GAL A 186 24.447 -10.015 -0.591 1.00 0.00 H new HETATM 0 HO3 GAL A 186 27.355 -9.886 -0.573 1.00 0.00 H new HETATM 0 HO2 GAL A 186 27.588 -8.906 2.479 1.00 0.00 H new HETATM 0 H62 GAL A 186 23.564 -7.459 -2.632 1.00 0.00 H new HETATM 0 H61 GAL A 186 23.015 -8.908 -1.815 1.00 0.00 H new HETATM 0 H5 GAL A 186 24.549 -6.593 -0.567 1.00 0.00 H new HETATM 0 H4 GAL A 186 25.995 -7.979 -1.818 1.00 0.00 H new HETATM 0 H3 GAL A 186 26.853 -7.245 0.302 1.00 0.00 H new HETATM 0 H2 GAL A 186 25.639 -9.751 1.499 1.00 0.00 H new