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 O3 : rot -140:sc= -2.31! USER MOD Set 1.2: A 185 GAL O2 : rot 31:sc= 0.00409 USER MOD Set 2.1: A 83 HIS : no HD1:sc= -3.05 K(o=-2.3,f=-1.6) USER MOD Set 2.2: A 86 THR OG1 : rot 51:sc= 0.753 USER MOD Set 3.1: A 27 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.9!) USER MOD Set 3.2: A 29 MET CE :methyl -121:sc= -0.0446 (180deg=-0.374) USER MOD Single : A 1 ALA N :NH3+ -131:sc= -3.36! (180deg=-6.85!) USER MOD Single : A 5 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 11 THR OG1 : rot 65:sc= -0.0694! USER MOD Single : A 13 GLN : amide:sc= -2.32! C(o=-2.3!,f=-6.2!) USER MOD Single : A 15 ASN : amide:sc= -13.6! C(o=-14!,f=-19!) USER MOD Single : A 19 SER OG : rot -40:sc= 0.799 USER MOD Single : A 20 GLN : amide:sc= -0.505 K(o=-0.51,f=-4.6!) USER MOD Single : A 34 SER OG : rot 52:sc= 0.796 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 12:sc= 0.51 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.712 (180deg=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -1.47 (180deg=-1.99!) USER MOD Single : A 46 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.025) USER MOD Single : A 52 ASN : amide:sc=-0.00756 X(o=-0.0076,f=-0.016) USER MOD Single : A 54 THR OG1 : rot 130:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -165:sc= 1.31 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.243 K(o=-0.24,f=-1.6!) USER MOD Single : A 69 THR OG1 : rot -57:sc= 0.143 USER MOD Single : A 71 MET CE :methyl -120:sc= -1.65 (180deg=-3.11!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 80 THR OG1 : rot 159:sc= -3.21! USER MOD Single : A 85 SER OG : rot 64:sc= 0.357 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= -4.28! K(o=-4.3!,f=-2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 40:sc= 1.22 USER MOD Single : A 178 NAG O3 : rot 127:sc= 0.121 USER MOD Single : A 178 NAG O6 : rot -41:sc= 0.0874 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot -30:sc= 0.0791 USER MOD Single : A 180 BMA O2 : rot 145:sc= 0.0724 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O3 : rot -1:sc= 0.856 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 20:sc= 0.0508 USER MOD Single : A 182 MAN O3 : rot 33:sc= 0.0694 USER MOD Single : A 182 MAN O4 : rot 31:sc= 0.00201 USER MOD Single : A 182 MAN O6 : rot 31:sc= 0.00522 USER MOD Single : A 183 NAG O3 : rot 126:sc= 0.555 USER MOD Single : A 183 NAG O6 : rot 38:sc= 0.0126 USER MOD Single : A 184 NAG O6 : rot -25:sc= 0.0313 USER MOD Single : A 185 GAL O3 : rot 97:sc= 0.0815 USER MOD Single : A 185 GAL O4 : rot 132:sc= 1.18 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.844 USER MOD Single : A 186 GAL O2 : rot -138:sc= 0.999 USER MOD Single : A 186 GAL O3 : rot 98:sc= 0.0671 USER MOD Single : A 186 GAL O4 : rot 126:sc= 1.21 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.040 -23.200 -13.435 1.00 0.00 N ATOM 2 CA ALA A 1 -9.231 -23.191 -11.963 1.00 0.00 C ATOM 3 C ALA A 1 -8.594 -21.957 -11.331 1.00 0.00 C ATOM 4 O ALA A 1 -9.246 -21.225 -10.586 1.00 0.00 O ATOM 5 CB ALA A 1 -8.658 -24.456 -11.345 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.950 -23.388 -13.902 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.677 -22.276 -13.744 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.359 -23.943 -13.692 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.302 -23.157 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.806 -24.433 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.164 -25.326 -11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.592 -24.517 -11.563 1.00 0.00 H new ATOM 13 N PRO A 2 -7.306 -21.709 -11.618 1.00 0.00 N ATOM 14 CA PRO A 2 -6.588 -20.555 -11.070 1.00 0.00 C ATOM 15 C PRO A 2 -7.139 -19.232 -11.588 1.00 0.00 C ATOM 16 O PRO A 2 -8.186 -19.195 -12.233 1.00 0.00 O ATOM 17 CB PRO A 2 -5.147 -20.760 -11.547 1.00 0.00 C ATOM 18 CG PRO A 2 -5.254 -21.650 -12.738 1.00 0.00 C ATOM 19 CD PRO A 2 -6.452 -22.528 -12.498 1.00 0.00 C ATOM 0 HA PRO A 2 -6.682 -20.499 -9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.679 -19.810 -11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.535 -21.216 -10.768 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.375 -21.066 -13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.351 -22.248 -12.860 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.959 -22.779 -13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.172 -23.469 -12.024 1.00 0.00 H new ATOM 27 N ASP A 3 -6.428 -18.149 -11.302 1.00 0.00 N ATOM 28 CA ASP A 3 -6.848 -16.825 -11.741 1.00 0.00 C ATOM 29 C ASP A 3 -6.035 -16.368 -12.948 1.00 0.00 C ATOM 30 O ASP A 3 -4.865 -16.720 -13.090 1.00 0.00 O ATOM 31 CB ASP A 3 -6.700 -15.815 -10.602 1.00 0.00 C ATOM 32 CG ASP A 3 -5.324 -15.179 -10.562 1.00 0.00 C ATOM 33 OD1 ASP A 3 -4.343 -15.864 -10.922 1.00 0.00 O ATOM 34 OD2 ASP A 3 -5.227 -13.996 -10.175 1.00 0.00 O ATOM 0 H ASP A 3 -5.559 -18.161 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.897 -16.883 -12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.454 -15.035 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.894 -16.313 -9.652 1.00 0.00 H new ATOM 39 N VAL A 4 -6.663 -15.577 -13.811 1.00 0.00 N ATOM 40 CA VAL A 4 -5.997 -15.066 -15.001 1.00 0.00 C ATOM 41 C VAL A 4 -6.364 -13.608 -15.245 1.00 0.00 C ATOM 42 O VAL A 4 -6.211 -13.092 -16.352 1.00 0.00 O ATOM 43 CB VAL A 4 -6.359 -15.891 -16.248 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.195 -15.921 -17.225 1.00 0.00 C ATOM 45 CG2 VAL A 4 -6.771 -17.302 -15.852 1.00 0.00 C ATOM 0 H VAL A 4 -7.632 -15.276 -13.708 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.924 -15.146 -14.824 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.205 -15.416 -16.744 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.470 -16.509 -18.101 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.952 -14.904 -17.533 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.327 -16.371 -16.743 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.024 -17.872 -16.746 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.946 -17.789 -15.332 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.639 -17.256 -15.194 1.00 0.00 H new ATOM 55 N GLN A 5 -6.850 -12.947 -14.200 1.00 0.00 N ATOM 56 CA GLN A 5 -7.242 -11.548 -14.294 1.00 0.00 C ATOM 57 C GLN A 5 -7.176 -10.876 -12.927 1.00 0.00 C ATOM 58 O GLN A 5 -6.580 -11.408 -11.990 1.00 0.00 O ATOM 59 CB GLN A 5 -8.655 -11.431 -14.867 1.00 0.00 C ATOM 60 CG GLN A 5 -8.692 -10.873 -16.280 1.00 0.00 C ATOM 61 CD GLN A 5 -10.065 -10.978 -16.920 1.00 0.00 C ATOM 62 OE1 GLN A 5 -10.219 -10.756 -18.120 1.00 0.00 O ATOM 63 NE2 GLN A 5 -11.073 -11.318 -16.121 1.00 0.00 N ATOM 0 H GLN A 5 -6.982 -13.360 -13.277 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.545 -11.042 -14.962 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.123 -12.415 -14.861 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.251 -10.791 -14.216 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.385 -9.827 -16.261 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.968 -11.407 -16.895 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.902 -11.494 -15.131 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.017 -11.403 -16.499 1.00 0.00 H new ATOM 72 N ASP A 6 -7.787 -9.703 -12.820 1.00 0.00 N ATOM 73 CA ASP A 6 -7.793 -8.959 -11.570 1.00 0.00 C ATOM 74 C ASP A 6 -6.413 -8.383 -11.283 1.00 0.00 C ATOM 75 O ASP A 6 -5.398 -9.058 -11.461 1.00 0.00 O ATOM 76 CB ASP A 6 -8.230 -9.860 -10.413 1.00 0.00 C ATOM 77 CG ASP A 6 -9.628 -9.536 -9.925 1.00 0.00 C ATOM 78 OD1 ASP A 6 -9.937 -8.337 -9.759 1.00 0.00 O ATOM 79 OD2 ASP A 6 -10.414 -10.481 -9.709 1.00 0.00 O ATOM 0 H ASP A 6 -8.285 -9.247 -13.585 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.503 -8.138 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.192 -10.901 -10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.526 -9.754 -9.587 1.00 0.00 H new ATOM 84 N CYS A 7 -6.379 -7.132 -10.840 1.00 0.00 N ATOM 85 CA CYS A 7 -5.120 -6.470 -10.531 1.00 0.00 C ATOM 86 C CYS A 7 -4.211 -7.389 -9.726 1.00 0.00 C ATOM 87 O CYS A 7 -4.664 -8.372 -9.141 1.00 0.00 O ATOM 88 CB CYS A 7 -5.374 -5.178 -9.755 1.00 0.00 C ATOM 89 SG CYS A 7 -5.250 -3.668 -10.768 1.00 0.00 S ATOM 0 H CYS A 7 -7.208 -6.557 -10.687 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.625 -6.227 -11.471 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.368 -5.223 -9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.659 -5.113 -8.935 1.00 0.00 H new ATOM 94 N PRO A 8 -2.908 -7.077 -9.690 1.00 0.00 N ATOM 95 CA PRO A 8 -1.922 -7.871 -8.959 1.00 0.00 C ATOM 96 C PRO A 8 -1.881 -7.529 -7.471 1.00 0.00 C ATOM 97 O PRO A 8 -0.875 -7.758 -6.801 1.00 0.00 O ATOM 98 CB PRO A 8 -0.612 -7.482 -9.636 1.00 0.00 C ATOM 99 CG PRO A 8 -0.818 -6.072 -10.074 1.00 0.00 C ATOM 100 CD PRO A 8 -2.291 -5.922 -10.369 1.00 0.00 C ATOM 0 HA PRO A 8 -2.143 -8.938 -8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.229 -7.564 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.395 -8.133 -10.483 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.506 -5.375 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.221 -5.850 -10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.681 -4.979 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.487 -5.937 -11.441 1.00 0.00 H new ATOM 108 N GLU A 9 -2.981 -6.981 -6.961 1.00 0.00 N ATOM 109 CA GLU A 9 -3.067 -6.613 -5.552 1.00 0.00 C ATOM 110 C GLU A 9 -2.208 -5.386 -5.255 1.00 0.00 C ATOM 111 O GLU A 9 -1.177 -5.167 -5.889 1.00 0.00 O ATOM 112 CB GLU A 9 -2.628 -7.786 -4.673 1.00 0.00 C ATOM 113 CG GLU A 9 -3.155 -7.716 -3.249 1.00 0.00 C ATOM 114 CD GLU A 9 -3.292 -9.085 -2.611 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.267 -9.787 -2.488 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.425 -9.455 -2.235 1.00 0.00 O ATOM 0 H GLU A 9 -3.823 -6.783 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.105 -6.367 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.965 -8.716 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.539 -7.820 -4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.484 -7.104 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.126 -7.220 -3.248 1.00 0.00 H new ATOM 123 N CYS A 10 -2.645 -4.589 -4.283 1.00 0.00 N ATOM 124 CA CYS A 10 -1.922 -3.383 -3.895 1.00 0.00 C ATOM 125 C CYS A 10 -0.830 -3.712 -2.881 1.00 0.00 C ATOM 126 O CYS A 10 -1.081 -4.381 -1.881 1.00 0.00 O ATOM 127 CB CYS A 10 -2.888 -2.358 -3.299 1.00 0.00 C ATOM 128 SG CYS A 10 -2.337 -0.628 -3.463 1.00 0.00 S ATOM 0 H CYS A 10 -3.498 -4.758 -3.749 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.456 -2.962 -4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.859 -2.466 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.032 -2.583 -2.242 1.00 0.00 H new ATOM 133 N THR A 11 0.381 -3.234 -3.142 1.00 0.00 N ATOM 134 CA THR A 11 1.500 -3.477 -2.244 1.00 0.00 C ATOM 135 C THR A 11 2.754 -2.786 -2.739 1.00 0.00 C ATOM 136 O THR A 11 2.716 -1.997 -3.683 1.00 0.00 O ATOM 137 CB THR A 11 1.773 -4.971 -2.097 1.00 0.00 C ATOM 138 OG1 THR A 11 2.927 -5.193 -1.307 1.00 0.00 O ATOM 139 CG2 THR A 11 1.984 -5.669 -3.420 1.00 0.00 C ATOM 0 H THR A 11 0.611 -2.678 -3.966 1.00 0.00 H new ATOM 0 HA THR A 11 1.227 -3.068 -1.271 1.00 0.00 H new ATOM 0 HB THR A 11 0.883 -5.384 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.764 -4.876 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.173 -6.728 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.093 -5.556 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.838 -5.227 -3.932 1.00 0.00 H new ATOM 147 N LEU A 12 3.860 -3.096 -2.087 1.00 0.00 N ATOM 148 CA LEU A 12 5.146 -2.517 -2.427 1.00 0.00 C ATOM 149 C LEU A 12 5.719 -3.118 -3.686 1.00 0.00 C ATOM 150 O LEU A 12 5.866 -4.334 -3.809 1.00 0.00 O ATOM 151 CB LEU A 12 6.106 -2.697 -1.271 1.00 0.00 C ATOM 152 CG LEU A 12 5.817 -1.781 -0.094 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.497 -2.159 0.559 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.950 -1.849 0.906 1.00 0.00 C ATOM 0 H LEU A 12 3.892 -3.755 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 12 4.998 -1.454 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.065 -3.733 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.122 -2.515 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 12 5.736 -0.756 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.304 -1.494 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.691 -2.066 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.548 -3.188 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.734 -1.189 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.056 -2.872 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.877 -1.535 0.427 1.00 0.00 H new ATOM 166 N GLN A 13 6.058 -2.245 -4.620 1.00 0.00 N ATOM 167 CA GLN A 13 6.634 -2.675 -5.874 1.00 0.00 C ATOM 168 C GLN A 13 8.111 -2.404 -5.879 1.00 0.00 C ATOM 169 O GLN A 13 8.649 -1.753 -6.773 1.00 0.00 O ATOM 170 CB GLN A 13 5.971 -1.983 -7.034 1.00 0.00 C ATOM 171 CG GLN A 13 4.490 -2.281 -7.127 1.00 0.00 C ATOM 172 CD GLN A 13 4.069 -2.743 -8.509 1.00 0.00 C ATOM 173 OE1 GLN A 13 3.585 -1.955 -9.320 1.00 0.00 O ATOM 174 NE2 GLN A 13 4.251 -4.029 -8.781 1.00 0.00 N ATOM 0 H GLN A 13 5.943 -1.236 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 13 6.469 -3.747 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.115 -0.907 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.457 -2.290 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.232 -3.049 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.927 -1.387 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.656 -4.647 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.986 -4.400 -9.693 1.00 0.00 H new ATOM 183 N GLU A 14 8.729 -2.902 -4.839 1.00 0.00 N ATOM 184 CA GLU A 14 10.161 -2.747 -4.608 1.00 0.00 C ATOM 185 C GLU A 14 10.819 -1.974 -5.726 1.00 0.00 C ATOM 186 O GLU A 14 10.758 -2.349 -6.897 1.00 0.00 O ATOM 187 CB GLU A 14 10.856 -4.088 -4.444 1.00 0.00 C ATOM 188 CG GLU A 14 12.369 -3.966 -4.337 1.00 0.00 C ATOM 189 CD GLU A 14 13.099 -5.042 -5.115 1.00 0.00 C ATOM 190 OE1 GLU A 14 13.035 -5.020 -6.363 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.734 -5.909 -4.478 1.00 0.00 O ATOM 0 H GLU A 14 8.253 -3.436 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 14 10.265 -2.187 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.473 -4.582 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.608 -4.726 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.677 -2.987 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.661 -4.021 -3.288 1.00 0.00 H new ATOM 198 N ASN A 15 11.436 -0.888 -5.340 1.00 0.00 N ATOM 199 CA ASN A 15 12.107 -0.011 -6.273 1.00 0.00 C ATOM 200 C ASN A 15 13.195 -0.719 -7.058 1.00 0.00 C ATOM 201 O ASN A 15 14.306 -0.907 -6.566 1.00 0.00 O ATOM 202 CB ASN A 15 12.694 1.189 -5.552 1.00 0.00 C ATOM 203 CG ASN A 15 12.255 2.483 -6.193 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.968 3.060 -7.015 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.071 2.939 -5.826 1.00 0.00 N ATOM 0 H ASN A 15 11.489 -0.583 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 15 11.352 0.323 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.385 1.175 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.782 1.126 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.711 3.805 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.517 2.425 -5.141 1.00 0.00 H new ATOM 212 N PRO A 16 12.907 -1.074 -8.320 1.00 0.00 N ATOM 213 CA PRO A 16 13.886 -1.707 -9.192 1.00 0.00 C ATOM 214 C PRO A 16 14.903 -0.671 -9.630 1.00 0.00 C ATOM 215 O PRO A 16 15.817 -0.939 -10.410 1.00 0.00 O ATOM 216 CB PRO A 16 13.060 -2.209 -10.387 1.00 0.00 C ATOM 217 CG PRO A 16 11.628 -1.937 -10.040 1.00 0.00 C ATOM 218 CD PRO A 16 11.640 -0.839 -9.014 1.00 0.00 C ATOM 0 HA PRO A 16 14.438 -2.517 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.345 -1.692 -11.303 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.225 -3.273 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.065 -1.636 -10.924 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.148 -2.832 -9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.606 0.148 -9.475 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.788 -0.905 -8.338 1.00 0.00 H new ATOM 226 N PHE A 17 14.705 0.523 -9.096 1.00 0.00 N ATOM 227 CA PHE A 17 15.546 1.671 -9.364 1.00 0.00 C ATOM 228 C PHE A 17 16.638 1.781 -8.313 1.00 0.00 C ATOM 229 O PHE A 17 17.829 1.728 -8.621 1.00 0.00 O ATOM 230 CB PHE A 17 14.683 2.932 -9.335 1.00 0.00 C ATOM 231 CG PHE A 17 15.167 4.023 -10.236 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.331 4.713 -9.948 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.449 4.358 -11.369 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.774 5.724 -10.783 1.00 0.00 C ATOM 235 CE2 PHE A 17 14.885 5.366 -12.207 1.00 0.00 C ATOM 236 CZ PHE A 17 16.049 6.051 -11.914 1.00 0.00 C ATOM 0 H PHE A 17 13.939 0.722 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 17 16.012 1.557 -10.343 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.663 2.668 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.644 3.309 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.899 4.461 -9.064 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.538 3.826 -11.601 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.685 6.257 -10.551 1.00 0.00 H new ATOM 0 HE2 PHE A 17 14.317 5.618 -13.090 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.392 6.840 -12.567 1.00 0.00 H new ATOM 246 N PHE A 18 16.214 1.938 -7.063 1.00 0.00 N ATOM 247 CA PHE A 18 17.142 2.060 -5.951 1.00 0.00 C ATOM 248 C PHE A 18 17.637 0.692 -5.499 1.00 0.00 C ATOM 249 O PHE A 18 18.515 0.590 -4.642 1.00 0.00 O ATOM 250 CB PHE A 18 16.466 2.788 -4.792 1.00 0.00 C ATOM 251 CG PHE A 18 15.632 3.947 -5.248 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.222 5.020 -5.888 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.263 3.960 -5.050 1.00 0.00 C ATOM 254 CE1 PHE A 18 15.463 6.088 -6.324 1.00 0.00 C ATOM 255 CE2 PHE A 18 13.496 5.027 -5.483 1.00 0.00 C ATOM 256 CZ PHE A 18 14.099 6.092 -6.121 1.00 0.00 C ATOM 0 H PHE A 18 15.230 1.983 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 18 18.005 2.636 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.837 2.086 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.227 3.144 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.290 5.023 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.788 3.128 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.937 6.920 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.428 5.027 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.504 6.927 -6.461 1.00 0.00 H new ATOM 266 N SER A 19 17.072 -0.357 -6.085 1.00 0.00 N ATOM 267 CA SER A 19 17.462 -1.718 -5.745 1.00 0.00 C ATOM 268 C SER A 19 18.972 -1.886 -5.863 1.00 0.00 C ATOM 269 O SER A 19 19.490 -2.246 -6.920 1.00 0.00 O ATOM 270 CB SER A 19 16.742 -2.721 -6.652 1.00 0.00 C ATOM 271 OG SER A 19 17.664 -3.489 -7.404 1.00 0.00 O ATOM 0 H SER A 19 16.344 -0.291 -6.796 1.00 0.00 H new ATOM 0 HA SER A 19 17.173 -1.912 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.123 -3.383 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.073 -2.188 -7.328 1.00 0.00 H new ATOM 0 HG SER A 19 18.394 -2.913 -7.714 1.00 0.00 H new ATOM 277 N GLN A 20 19.674 -1.612 -4.771 1.00 0.00 N ATOM 278 CA GLN A 20 21.125 -1.721 -4.746 1.00 0.00 C ATOM 279 C GLN A 20 21.557 -3.064 -4.173 1.00 0.00 C ATOM 280 O GLN A 20 20.722 -3.912 -3.856 1.00 0.00 O ATOM 281 CB GLN A 20 21.720 -0.580 -3.918 1.00 0.00 C ATOM 282 CG GLN A 20 21.914 -0.920 -2.451 1.00 0.00 C ATOM 283 CD GLN A 20 22.404 0.268 -1.646 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.706 0.763 -0.761 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.610 0.736 -1.954 1.00 0.00 N ATOM 0 H GLN A 20 19.259 -1.312 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 20 21.494 -1.651 -5.769 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.682 -0.297 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.068 0.290 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.971 -1.275 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.630 -1.737 -2.361 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.154 0.295 -2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.991 1.536 -1.449 1.00 0.00 H new ATOM 294 N PRO A 21 22.872 -3.270 -4.022 1.00 0.00 N ATOM 295 CA PRO A 21 23.413 -4.506 -3.474 1.00 0.00 C ATOM 296 C PRO A 21 23.193 -4.590 -1.971 1.00 0.00 C ATOM 297 O PRO A 21 24.145 -4.664 -1.195 1.00 0.00 O ATOM 298 CB PRO A 21 24.914 -4.447 -3.794 1.00 0.00 C ATOM 299 CG PRO A 21 25.155 -3.157 -4.517 1.00 0.00 C ATOM 300 CD PRO A 21 23.924 -2.306 -4.358 1.00 0.00 C ATOM 0 HA PRO A 21 22.926 -5.384 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.506 -4.494 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.211 -5.296 -4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 21 26.028 -2.647 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 21 25.358 -3.342 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 21 24.051 -1.562 -3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.692 -1.764 -5.275 1.00 0.00 H new ATOM 308 N GLY A 22 21.927 -4.572 -1.566 1.00 0.00 N ATOM 309 CA GLY A 22 21.601 -4.643 -0.155 1.00 0.00 C ATOM 310 C GLY A 22 20.408 -3.788 0.228 1.00 0.00 C ATOM 311 O GLY A 22 20.061 -3.702 1.406 1.00 0.00 O ATOM 0 H GLY A 22 21.122 -4.510 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.397 -5.680 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.467 -4.328 0.427 1.00 0.00 H new ATOM 315 N ALA A 23 19.778 -3.150 -0.754 1.00 0.00 N ATOM 316 CA ALA A 23 18.627 -2.303 -0.477 1.00 0.00 C ATOM 317 C ALA A 23 17.715 -2.182 -1.680 1.00 0.00 C ATOM 318 O ALA A 23 18.023 -1.512 -2.664 1.00 0.00 O ATOM 319 CB ALA A 23 19.090 -0.935 -0.006 1.00 0.00 C ATOM 0 H ALA A 23 20.043 -3.203 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 23 18.046 -2.772 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.222 -0.308 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.682 -1.044 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.699 -0.470 -0.781 1.00 0.00 H new ATOM 325 N PRO A 24 16.580 -2.870 -1.594 1.00 0.00 N ATOM 326 CA PRO A 24 15.570 -2.925 -2.625 1.00 0.00 C ATOM 327 C PRO A 24 14.358 -2.058 -2.317 1.00 0.00 C ATOM 328 O PRO A 24 13.289 -2.560 -1.975 1.00 0.00 O ATOM 329 CB PRO A 24 15.214 -4.405 -2.568 1.00 0.00 C ATOM 330 CG PRO A 24 15.361 -4.780 -1.117 1.00 0.00 C ATOM 331 CD PRO A 24 16.189 -3.708 -0.463 1.00 0.00 C ATOM 0 HA PRO A 24 15.906 -2.555 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.198 -4.581 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.878 -4.996 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.385 -4.858 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.843 -5.753 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.616 -3.149 0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.055 -4.123 0.052 1.00 0.00 H new ATOM 339 N ILE A 25 14.551 -0.753 -2.436 1.00 0.00 N ATOM 340 CA ILE A 25 13.519 0.225 -2.184 1.00 0.00 C ATOM 341 C ILE A 25 12.146 -0.205 -2.669 1.00 0.00 C ATOM 342 O ILE A 25 11.959 -1.337 -3.106 1.00 0.00 O ATOM 343 CB ILE A 25 13.929 1.551 -2.821 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.137 2.059 -2.072 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.803 2.557 -2.727 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.996 1.800 -0.594 1.00 0.00 C ATOM 0 H ILE A 25 15.443 -0.344 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 25 13.425 0.334 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 25 14.159 1.407 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.036 1.570 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.258 3.128 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.114 3.495 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.926 2.171 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.556 2.730 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.878 2.174 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.109 2.310 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.899 0.728 -0.420 1.00 0.00 H new ATOM 358 N LEU A 26 11.165 0.686 -2.511 1.00 0.00 N ATOM 359 CA LEU A 26 9.799 0.367 -2.852 1.00 0.00 C ATOM 360 C LEU A 26 8.977 1.548 -3.271 1.00 0.00 C ATOM 361 O LEU A 26 9.474 2.626 -3.595 1.00 0.00 O ATOM 362 CB LEU A 26 9.165 -0.227 -1.623 1.00 0.00 C ATOM 363 CG LEU A 26 10.191 -0.737 -0.650 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.875 -0.294 0.759 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.330 -2.243 -0.745 1.00 0.00 C ATOM 0 H LEU A 26 11.302 1.630 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 26 9.825 -0.311 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.545 0.525 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.505 -1.044 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 26 11.154 -0.302 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.634 -0.678 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.864 0.795 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.898 -0.679 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.079 -2.585 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.372 -2.712 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.639 -2.517 -1.754 1.00 0.00 H new ATOM 377 N GLN A 27 7.689 1.296 -3.241 1.00 0.00 N ATOM 378 CA GLN A 27 6.697 2.297 -3.593 1.00 0.00 C ATOM 379 C GLN A 27 5.327 1.655 -3.799 1.00 0.00 C ATOM 380 O GLN A 27 4.801 1.629 -4.912 1.00 0.00 O ATOM 381 CB GLN A 27 7.142 3.053 -4.848 1.00 0.00 C ATOM 382 CG GLN A 27 6.009 3.739 -5.593 1.00 0.00 C ATOM 383 CD GLN A 27 5.695 3.072 -6.917 1.00 0.00 C ATOM 384 OE1 GLN A 27 5.837 1.858 -7.062 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.268 3.864 -7.893 1.00 0.00 N ATOM 0 H GLN A 27 7.295 0.394 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 27 6.609 3.008 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.882 3.801 -4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.637 2.355 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.115 3.738 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.274 4.782 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.165 4.865 -7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.043 3.471 -8.807 1.00 0.00 H new ATOM 394 N CYS A 28 4.762 1.128 -2.710 1.00 0.00 N ATOM 395 CA CYS A 28 3.457 0.471 -2.753 1.00 0.00 C ATOM 396 C CYS A 28 2.623 0.979 -3.919 1.00 0.00 C ATOM 397 O CYS A 28 2.159 2.118 -3.918 1.00 0.00 O ATOM 398 CB CYS A 28 2.691 0.664 -1.443 1.00 0.00 C ATOM 399 SG CYS A 28 1.461 -0.644 -1.118 1.00 0.00 S ATOM 0 H CYS A 28 5.191 1.145 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 28 3.640 -0.594 -2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.402 0.696 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.185 1.629 -1.466 1.00 0.00 H new ATOM 404 N MET A 29 2.440 0.123 -4.918 1.00 0.00 N ATOM 405 CA MET A 29 1.665 0.487 -6.098 1.00 0.00 C ATOM 406 C MET A 29 0.933 -0.723 -6.668 1.00 0.00 C ATOM 407 O MET A 29 1.542 -1.754 -6.958 1.00 0.00 O ATOM 408 CB MET A 29 2.579 1.105 -7.161 1.00 0.00 C ATOM 409 CG MET A 29 2.230 0.698 -8.585 1.00 0.00 C ATOM 410 SD MET A 29 3.110 1.668 -9.822 1.00 0.00 S ATOM 411 CE MET A 29 2.283 3.248 -9.665 1.00 0.00 C ATOM 0 H MET A 29 2.816 -0.825 -4.935 1.00 0.00 H new ATOM 0 HA MET A 29 0.919 1.224 -5.801 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.530 2.191 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.609 0.816 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.463 -0.358 -8.724 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.157 0.810 -8.738 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.839 3.523 -10.622 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.501 3.176 -8.910 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.005 4.009 -9.368 1.00 0.00 H new ATOM 421 N GLY A 30 -0.377 -0.585 -6.830 1.00 0.00 N ATOM 422 CA GLY A 30 -1.177 -1.666 -7.369 1.00 0.00 C ATOM 423 C GLY A 30 -2.662 -1.402 -7.230 1.00 0.00 C ATOM 424 O GLY A 30 -3.131 -0.297 -7.501 1.00 0.00 O ATOM 0 H GLY A 30 -0.900 0.259 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.932 -1.808 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.925 -2.594 -6.855 1.00 0.00 H new ATOM 428 N CYS A 31 -3.403 -2.419 -6.806 1.00 0.00 N ATOM 429 CA CYS A 31 -4.844 -2.291 -6.630 1.00 0.00 C ATOM 430 C CYS A 31 -5.322 -3.150 -5.467 1.00 0.00 C ATOM 431 O CYS A 31 -4.853 -4.273 -5.280 1.00 0.00 O ATOM 432 CB CYS A 31 -5.574 -2.693 -7.912 1.00 0.00 C ATOM 433 SG CYS A 31 -4.694 -2.237 -9.440 1.00 0.00 S ATOM 0 H CYS A 31 -3.030 -3.341 -6.578 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.069 -1.248 -6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.733 -3.771 -7.904 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.559 -2.226 -7.919 1.00 0.00 H new ATOM 438 N CYS A 32 -6.255 -2.618 -4.684 1.00 0.00 N ATOM 439 CA CYS A 32 -6.790 -3.342 -3.537 1.00 0.00 C ATOM 440 C CYS A 32 -8.208 -3.836 -3.807 1.00 0.00 C ATOM 441 O CYS A 32 -9.030 -3.119 -4.378 1.00 0.00 O ATOM 442 CB CYS A 32 -6.781 -2.454 -2.292 1.00 0.00 C ATOM 443 SG CYS A 32 -7.265 -0.727 -2.604 1.00 0.00 S ATOM 0 H CYS A 32 -6.655 -1.690 -4.823 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.150 -4.208 -3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.456 -2.881 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.781 -2.467 -1.858 1.00 0.00 H new ATOM 448 N PHE A 33 -8.483 -5.064 -3.386 1.00 0.00 N ATOM 449 CA PHE A 33 -9.799 -5.662 -3.569 1.00 0.00 C ATOM 450 C PHE A 33 -9.986 -6.851 -2.631 1.00 0.00 C ATOM 451 O PHE A 33 -11.097 -7.126 -2.177 1.00 0.00 O ATOM 452 CB PHE A 33 -9.994 -6.099 -5.023 1.00 0.00 C ATOM 453 CG PHE A 33 -8.950 -7.059 -5.513 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.845 -8.327 -4.963 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.074 -6.696 -6.524 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.885 -9.215 -5.412 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.113 -7.581 -6.978 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.019 -8.842 -6.421 1.00 0.00 C ATOM 0 H PHE A 33 -7.809 -5.667 -2.914 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.550 -4.910 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.976 -6.562 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.990 -5.216 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.521 -8.625 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.143 -5.711 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.812 -10.200 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.437 -7.287 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.270 -9.535 -6.774 1.00 0.00 H new ATOM 468 N SER A 34 -8.892 -7.547 -2.338 1.00 0.00 N ATOM 469 CA SER A 34 -8.936 -8.699 -1.446 1.00 0.00 C ATOM 470 C SER A 34 -9.408 -8.281 -0.057 1.00 0.00 C ATOM 471 O SER A 34 -8.991 -7.247 0.464 1.00 0.00 O ATOM 472 CB SER A 34 -7.555 -9.354 -1.357 1.00 0.00 C ATOM 473 OG SER A 34 -7.356 -10.271 -2.418 1.00 0.00 O ATOM 0 H SER A 34 -7.965 -7.333 -2.705 1.00 0.00 H new ATOM 0 HA SER A 34 -9.644 -9.422 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.782 -8.586 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.455 -9.870 -0.402 1.00 0.00 H new ATOM 0 HG SER A 34 -7.550 -9.831 -3.272 1.00 0.00 H new ATOM 479 N ARG A 35 -10.280 -9.089 0.536 1.00 0.00 N ATOM 480 CA ARG A 35 -10.812 -8.800 1.864 1.00 0.00 C ATOM 481 C ARG A 35 -11.686 -7.547 1.837 1.00 0.00 C ATOM 482 O ARG A 35 -11.194 -6.437 1.638 1.00 0.00 O ATOM 483 CB ARG A 35 -9.667 -8.635 2.874 1.00 0.00 C ATOM 484 CG ARG A 35 -9.398 -7.192 3.275 1.00 0.00 C ATOM 485 CD ARG A 35 -8.109 -7.061 4.071 1.00 0.00 C ATOM 486 NE ARG A 35 -8.321 -6.368 5.338 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.583 -6.990 6.483 1.00 0.00 C ATOM 488 NH1 ARG A 35 -8.641 -8.314 6.525 1.00 0.00 N ATOM 489 NH2 ARG A 35 -8.782 -6.286 7.589 1.00 0.00 N ATOM 0 H ARG A 35 -10.634 -9.950 0.118 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.432 -9.641 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.900 -9.213 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.757 -9.059 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.339 -6.571 2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.232 -6.818 3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.699 -8.052 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.370 -6.519 3.480 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.265 -5.350 5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.484 -8.859 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.842 -8.788 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.734 -5.268 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.983 -6.763 8.468 1.00 0.00 H new ATOM 503 N ALA A 36 -12.987 -7.735 2.038 1.00 0.00 N ATOM 504 CA ALA A 36 -13.929 -6.622 2.036 1.00 0.00 C ATOM 505 C ALA A 36 -15.352 -7.100 1.787 1.00 0.00 C ATOM 506 O ALA A 36 -15.758 -7.303 0.643 1.00 0.00 O ATOM 507 CB ALA A 36 -13.534 -5.596 0.987 1.00 0.00 C ATOM 0 H ALA A 36 -13.412 -8.647 2.204 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.895 -6.157 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.247 -4.771 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.536 -5.216 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.535 -6.063 0.002 1.00 0.00 H new ATOM 513 N TYR A 37 -16.110 -7.272 2.863 1.00 0.00 N ATOM 514 CA TYR A 37 -17.491 -7.718 2.752 1.00 0.00 C ATOM 515 C TYR A 37 -18.210 -6.937 1.657 1.00 0.00 C ATOM 516 O TYR A 37 -17.829 -5.813 1.333 1.00 0.00 O ATOM 517 CB TYR A 37 -18.221 -7.547 4.088 1.00 0.00 C ATOM 518 CG TYR A 37 -17.309 -7.616 5.293 1.00 0.00 C ATOM 519 CD1 TYR A 37 -16.926 -8.839 5.832 1.00 0.00 C ATOM 520 CD2 TYR A 37 -16.830 -6.457 5.893 1.00 0.00 C ATOM 521 CE1 TYR A 37 -16.094 -8.904 6.934 1.00 0.00 C ATOM 522 CE2 TYR A 37 -15.996 -6.515 6.994 1.00 0.00 C ATOM 523 CZ TYR A 37 -15.631 -7.741 7.511 1.00 0.00 C ATOM 524 OH TYR A 37 -14.800 -7.804 8.606 1.00 0.00 O ATOM 0 H TYR A 37 -15.792 -7.110 3.819 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.492 -8.776 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.738 -6.587 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.984 -8.320 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.284 -9.753 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.114 -5.495 5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.808 -9.862 7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.632 -5.605 7.447 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.564 -6.896 8.890 1.00 0.00 H new ATOM 534 N PRO A 38 -19.266 -7.522 1.076 1.00 0.00 N ATOM 535 CA PRO A 38 -20.042 -6.889 0.022 1.00 0.00 C ATOM 536 C PRO A 38 -20.046 -5.369 0.140 1.00 0.00 C ATOM 537 O PRO A 38 -20.067 -4.823 1.243 1.00 0.00 O ATOM 538 CB PRO A 38 -21.432 -7.467 0.263 1.00 0.00 C ATOM 539 CG PRO A 38 -21.185 -8.845 0.795 1.00 0.00 C ATOM 540 CD PRO A 38 -19.797 -8.851 1.404 1.00 0.00 C ATOM 0 HA PRO A 38 -19.647 -7.079 -0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -21.994 -6.863 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -22.013 -7.497 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -21.934 -9.108 1.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -21.258 -9.584 -0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -19.833 -9.013 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.179 -9.644 0.983 1.00 0.00 H new ATOM 548 N THR A 39 -20.020 -4.691 -1.002 1.00 0.00 N ATOM 549 CA THR A 39 -20.014 -3.233 -1.024 1.00 0.00 C ATOM 550 C THR A 39 -21.312 -2.689 -1.608 1.00 0.00 C ATOM 551 O THR A 39 -21.757 -3.119 -2.672 1.00 0.00 O ATOM 552 CB THR A 39 -18.822 -2.716 -1.833 1.00 0.00 C ATOM 553 OG1 THR A 39 -18.937 -1.322 -2.058 1.00 0.00 O ATOM 554 CG2 THR A 39 -18.677 -3.386 -3.183 1.00 0.00 C ATOM 0 H THR A 39 -20.003 -5.127 -1.924 1.00 0.00 H new ATOM 0 HA THR A 39 -19.925 -2.883 0.005 1.00 0.00 H new ATOM 0 HB THR A 39 -17.943 -2.950 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.165 -1.009 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.813 -2.973 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.538 -4.458 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.575 -3.210 -3.775 1.00 0.00 H new ATOM 562 N PRO A 40 -21.932 -1.728 -0.910 1.00 0.00 N ATOM 563 CA PRO A 40 -23.189 -1.107 -1.347 1.00 0.00 C ATOM 564 C PRO A 40 -23.004 -0.224 -2.577 1.00 0.00 C ATOM 565 O PRO A 40 -21.941 0.363 -2.777 1.00 0.00 O ATOM 566 CB PRO A 40 -23.595 -0.256 -0.141 1.00 0.00 C ATOM 567 CG PRO A 40 -22.309 0.057 0.539 1.00 0.00 C ATOM 568 CD PRO A 40 -21.454 -1.167 0.366 1.00 0.00 C ATOM 0 HA PRO A 40 -23.932 -1.850 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -24.112 0.652 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -24.272 -0.799 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.834 0.933 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.467 0.279 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -20.394 -0.916 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.584 -1.869 1.189 1.00 0.00 H new ATOM 576 N LEU A 41 -24.047 -0.130 -3.394 1.00 0.00 N ATOM 577 CA LEU A 41 -23.999 0.689 -4.599 1.00 0.00 C ATOM 578 C LEU A 41 -24.580 2.073 -4.333 1.00 0.00 C ATOM 579 O LEU A 41 -24.476 2.971 -5.168 1.00 0.00 O ATOM 580 CB LEU A 41 -24.765 0.010 -5.736 1.00 0.00 C ATOM 581 CG LEU A 41 -25.071 0.909 -6.935 1.00 0.00 C ATOM 582 CD1 LEU A 41 -24.938 0.132 -8.235 1.00 0.00 C ATOM 583 CD2 LEU A 41 -26.464 1.510 -6.809 1.00 0.00 C ATOM 0 H LEU A 41 -24.934 -0.610 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.955 0.801 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.188 -0.848 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -25.705 -0.376 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.346 1.723 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -25.160 0.789 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -23.921 -0.248 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -25.638 -0.703 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -26.665 2.147 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -27.203 0.710 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.523 2.104 -5.897 1.00 0.00 H new ATOM 595 N ARG A 42 -25.191 2.239 -3.164 1.00 0.00 N ATOM 596 CA ARG A 42 -25.786 3.516 -2.789 1.00 0.00 C ATOM 597 C ARG A 42 -26.692 3.364 -1.570 1.00 0.00 C ATOM 598 O ARG A 42 -27.521 2.457 -1.506 1.00 0.00 O ATOM 599 CB ARG A 42 -26.584 4.099 -3.958 1.00 0.00 C ATOM 600 CG ARG A 42 -25.922 5.305 -4.607 1.00 0.00 C ATOM 601 CD ARG A 42 -26.925 6.136 -5.390 1.00 0.00 C ATOM 602 NE ARG A 42 -27.525 7.180 -4.565 1.00 0.00 N ATOM 603 CZ ARG A 42 -28.526 7.955 -4.970 1.00 0.00 C ATOM 604 NH1 ARG A 42 -29.032 7.807 -6.186 1.00 0.00 N ATOM 605 NH2 ARG A 42 -29.023 8.878 -4.158 1.00 0.00 N ATOM 0 H ARG A 42 -25.287 1.506 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.975 4.198 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -26.727 3.324 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.574 4.386 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -25.456 5.923 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -25.126 4.970 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -26.430 6.590 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -27.708 5.487 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.155 7.323 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -28.653 7.097 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -29.800 8.403 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -28.637 8.994 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -29.791 9.472 -4.470 1.00 0.00 H new ATOM 619 N SER A 43 -26.527 4.267 -0.609 1.00 0.00 N ATOM 620 CA SER A 43 -27.328 4.251 0.611 1.00 0.00 C ATOM 621 C SER A 43 -27.423 5.650 1.209 1.00 0.00 C ATOM 622 O SER A 43 -27.727 5.813 2.390 1.00 0.00 O ATOM 623 CB SER A 43 -26.727 3.283 1.633 1.00 0.00 C ATOM 624 OG SER A 43 -26.957 1.935 1.258 1.00 0.00 O ATOM 0 H SER A 43 -25.843 5.022 -0.652 1.00 0.00 H new ATOM 0 HA SER A 43 -28.332 3.913 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 43 -25.655 3.461 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 43 -27.162 3.470 2.615 1.00 0.00 H new ATOM 0 HG SER A 43 -27.285 1.904 0.335 1.00 0.00 H new ATOM 630 N LYS A 44 -27.161 6.656 0.382 1.00 0.00 N ATOM 631 CA LYS A 44 -27.216 8.045 0.823 1.00 0.00 C ATOM 632 C LYS A 44 -28.278 8.819 0.047 1.00 0.00 C ATOM 633 O LYS A 44 -28.770 8.354 -0.981 1.00 0.00 O ATOM 634 CB LYS A 44 -25.853 8.715 0.648 1.00 0.00 C ATOM 635 CG LYS A 44 -25.243 8.513 -0.729 1.00 0.00 C ATOM 636 CD LYS A 44 -23.787 8.086 -0.636 1.00 0.00 C ATOM 637 CE LYS A 44 -22.857 9.151 -1.198 1.00 0.00 C ATOM 638 NZ LYS A 44 -23.403 10.524 -1.007 1.00 0.00 N ATOM 0 H LYS A 44 -26.908 6.535 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.483 8.053 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -25.957 9.784 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -25.167 8.324 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -25.811 7.758 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -25.316 9.439 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.530 7.890 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -23.645 7.153 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.884 9.076 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -22.697 8.969 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.625 11.213 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.078 10.738 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.888 10.580 -0.089 1.00 0.00 H new ATOM 652 N LYS A 45 -28.623 10.001 0.544 1.00 0.00 N ATOM 653 CA LYS A 45 -29.625 10.839 -0.105 1.00 0.00 C ATOM 654 C LYS A 45 -29.606 12.256 0.465 1.00 0.00 C ATOM 655 O LYS A 45 -28.651 12.652 1.134 1.00 0.00 O ATOM 656 CB LYS A 45 -31.014 10.221 0.064 1.00 0.00 C ATOM 657 CG LYS A 45 -31.400 9.972 1.513 1.00 0.00 C ATOM 658 CD LYS A 45 -32.293 8.749 1.646 1.00 0.00 C ATOM 659 CE LYS A 45 -31.594 7.626 2.396 1.00 0.00 C ATOM 660 NZ LYS A 45 -30.178 7.466 1.966 1.00 0.00 N ATOM 0 H LYS A 45 -28.224 10.401 1.393 1.00 0.00 H new ATOM 0 HA LYS A 45 -29.386 10.897 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -31.753 10.880 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -31.051 9.277 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -30.500 9.834 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -31.916 10.846 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -33.209 9.022 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -32.584 8.400 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -31.627 7.829 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -32.131 6.691 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.815 6.551 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -30.124 7.501 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -29.604 8.234 2.368 1.00 0.00 H new ATOM 674 N THR A 46 -30.663 13.016 0.193 1.00 0.00 N ATOM 675 CA THR A 46 -30.760 14.388 0.679 1.00 0.00 C ATOM 676 C THR A 46 -31.605 14.461 1.947 1.00 0.00 C ATOM 677 O THR A 46 -32.374 15.403 2.140 1.00 0.00 O ATOM 678 CB THR A 46 -31.359 15.289 -0.403 1.00 0.00 C ATOM 679 OG1 THR A 46 -32.765 15.376 -0.261 1.00 0.00 O ATOM 680 CG2 THR A 46 -31.067 14.810 -1.810 1.00 0.00 C ATOM 0 H THR A 46 -31.462 12.706 -0.360 1.00 0.00 H new ATOM 0 HA THR A 46 -29.755 14.735 0.918 1.00 0.00 H new ATOM 0 HB THR A 46 -30.888 16.262 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 46 -32.981 15.854 0.567 1.00 0.00 H new ATOM 0 HG21 THR A 46 -31.520 15.493 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 46 -29.989 14.780 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 46 -31.482 13.811 -1.948 1.00 0.00 H new ATOM 688 N MET A 47 -31.456 13.462 2.810 1.00 0.00 N ATOM 689 CA MET A 47 -32.202 13.415 4.061 1.00 0.00 C ATOM 690 C MET A 47 -31.274 13.135 5.238 1.00 0.00 C ATOM 691 O MET A 47 -30.863 14.050 5.950 1.00 0.00 O ATOM 692 CB MET A 47 -33.288 12.339 3.996 1.00 0.00 C ATOM 693 CG MET A 47 -33.934 12.056 5.343 1.00 0.00 C ATOM 694 SD MET A 47 -35.638 11.487 5.195 1.00 0.00 S ATOM 695 CE MET A 47 -35.386 9.730 4.955 1.00 0.00 C ATOM 0 H MET A 47 -30.825 12.674 2.666 1.00 0.00 H new ATOM 0 HA MET A 47 -32.670 14.388 4.208 1.00 0.00 H new ATOM 0 HB2 MET A 47 -34.058 12.651 3.290 1.00 0.00 H new ATOM 0 HB3 MET A 47 -32.854 11.417 3.608 1.00 0.00 H new ATOM 0 HG2 MET A 47 -33.349 11.303 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 47 -33.909 12.961 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 47 -36.351 9.235 4.847 1.00 0.00 H new ATOM 0 HE2 MET A 47 -34.792 9.567 4.056 1.00 0.00 H new ATOM 0 HE3 MET A 47 -34.861 9.317 5.816 1.00 0.00 H new ATOM 705 N LEU A 48 -30.951 11.863 5.436 1.00 0.00 N ATOM 706 CA LEU A 48 -30.072 11.459 6.528 1.00 0.00 C ATOM 707 C LEU A 48 -28.612 11.486 6.087 1.00 0.00 C ATOM 708 O LEU A 48 -28.184 10.666 5.274 1.00 0.00 O ATOM 709 CB LEU A 48 -30.447 10.059 7.016 1.00 0.00 C ATOM 710 CG LEU A 48 -30.480 9.887 8.534 1.00 0.00 C ATOM 711 CD1 LEU A 48 -29.079 9.646 9.067 1.00 0.00 C ATOM 712 CD2 LEU A 48 -31.107 11.106 9.197 1.00 0.00 C ATOM 0 H LEU A 48 -31.284 11.093 4.855 1.00 0.00 H new ATOM 0 HA LEU A 48 -30.197 12.167 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -31.428 9.803 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -29.737 9.344 6.601 1.00 0.00 H new ATOM 0 HG LEU A 48 -31.093 9.018 8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -29.117 9.525 10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -28.668 8.743 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.444 10.497 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -31.122 10.965 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -30.522 11.993 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -32.127 11.234 8.834 1.00 0.00 H new ATOM 724 N VAL A 49 -27.853 12.434 6.628 1.00 0.00 N ATOM 725 CA VAL A 49 -26.440 12.572 6.292 1.00 0.00 C ATOM 726 C VAL A 49 -25.738 11.217 6.272 1.00 0.00 C ATOM 727 O VAL A 49 -26.330 10.193 6.613 1.00 0.00 O ATOM 728 CB VAL A 49 -25.715 13.501 7.285 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.576 14.712 7.608 1.00 0.00 C ATOM 730 CG2 VAL A 49 -25.346 12.748 8.553 1.00 0.00 C ATOM 0 H VAL A 49 -28.194 13.119 7.302 1.00 0.00 H new ATOM 0 HA VAL A 49 -26.396 13.011 5.295 1.00 0.00 H new ATOM 0 HB VAL A 49 -24.794 13.851 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.048 15.357 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.783 15.266 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -27.515 14.383 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -24.835 13.422 9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -26.251 12.365 9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.687 11.916 8.304 1.00 0.00 H new ATOM 740 N GLN A 50 -24.471 11.223 5.870 1.00 0.00 N ATOM 741 CA GLN A 50 -23.678 10.002 5.800 1.00 0.00 C ATOM 742 C GLN A 50 -24.064 9.023 6.906 1.00 0.00 C ATOM 743 O GLN A 50 -23.926 9.322 8.091 1.00 0.00 O ATOM 744 CB GLN A 50 -22.188 10.336 5.905 1.00 0.00 C ATOM 745 CG GLN A 50 -21.370 9.841 4.724 1.00 0.00 C ATOM 746 CD GLN A 50 -21.123 10.921 3.688 1.00 0.00 C ATOM 747 OE1 GLN A 50 -20.462 11.923 3.963 1.00 0.00 O ATOM 748 NE2 GLN A 50 -21.652 10.719 2.488 1.00 0.00 N ATOM 0 H GLN A 50 -23.970 12.065 5.587 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.880 9.528 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -22.071 11.416 5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.790 9.899 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.413 9.463 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -21.887 9.004 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -22.193 9.874 2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -21.518 11.409 1.749 1.00 0.00 H new ATOM 757 N LYS A 51 -24.542 7.849 6.507 1.00 0.00 N ATOM 758 CA LYS A 51 -24.941 6.819 7.460 1.00 0.00 C ATOM 759 C LYS A 51 -24.167 5.530 7.205 1.00 0.00 C ATOM 760 O LYS A 51 -24.710 4.564 6.666 1.00 0.00 O ATOM 761 CB LYS A 51 -26.447 6.562 7.365 1.00 0.00 C ATOM 762 CG LYS A 51 -26.919 6.214 5.962 1.00 0.00 C ATOM 763 CD LYS A 51 -28.404 5.885 5.944 1.00 0.00 C ATOM 764 CE LYS A 51 -29.244 7.064 6.404 1.00 0.00 C ATOM 765 NZ LYS A 51 -30.684 6.708 6.515 1.00 0.00 N ATOM 0 H LYS A 51 -24.663 7.587 5.529 1.00 0.00 H new ATOM 0 HA LYS A 51 -24.710 7.169 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -26.711 5.748 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -26.981 7.448 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -26.722 7.051 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -26.351 5.363 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -28.701 5.597 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -28.595 5.028 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -28.881 7.414 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -29.127 7.889 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -31.263 7.563 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -30.928 6.016 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -30.868 6.296 7.452 1.00 0.00 H new ATOM 779 N ASN A 52 -22.893 5.525 7.587 1.00 0.00 N ATOM 780 CA ASN A 52 -22.035 4.361 7.391 1.00 0.00 C ATOM 781 C ASN A 52 -21.402 4.396 6.003 1.00 0.00 C ATOM 782 O ASN A 52 -21.460 3.420 5.256 1.00 0.00 O ATOM 783 CB ASN A 52 -22.835 3.069 7.566 1.00 0.00 C ATOM 784 CG ASN A 52 -21.944 1.875 7.844 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.281 1.808 8.879 1.00 0.00 O ATOM 786 ND2 ASN A 52 -21.924 0.923 6.917 1.00 0.00 N ATOM 0 H ASN A 52 -22.431 6.316 8.035 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.245 4.388 8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -23.543 3.190 8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -23.420 2.881 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.343 0.095 7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.490 1.020 6.074 1.00 0.00 H new ATOM 793 N VAL A 53 -20.808 5.535 5.665 1.00 0.00 N ATOM 794 CA VAL A 53 -20.172 5.712 4.365 1.00 0.00 C ATOM 795 C VAL A 53 -19.094 4.664 4.119 1.00 0.00 C ATOM 796 O VAL A 53 -18.340 4.304 5.024 1.00 0.00 O ATOM 797 CB VAL A 53 -19.547 7.113 4.231 1.00 0.00 C ATOM 798 CG1 VAL A 53 -18.759 7.471 5.482 1.00 0.00 C ATOM 799 CG2 VAL A 53 -18.661 7.189 2.996 1.00 0.00 C ATOM 0 H VAL A 53 -20.754 6.351 6.275 1.00 0.00 H new ATOM 0 HA VAL A 53 -20.958 5.595 3.619 1.00 0.00 H new ATOM 0 HB VAL A 53 -20.353 7.838 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.326 8.464 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -19.424 7.463 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -17.962 6.742 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.229 8.187 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.862 6.452 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.257 6.982 2.107 1.00 0.00 H new ATOM 809 N THR A 54 -19.028 4.182 2.883 1.00 0.00 N ATOM 810 CA THR A 54 -18.042 3.180 2.500 1.00 0.00 C ATOM 811 C THR A 54 -17.340 3.583 1.206 1.00 0.00 C ATOM 812 O THR A 54 -16.202 3.187 0.954 1.00 0.00 O ATOM 813 CB THR A 54 -18.709 1.814 2.331 1.00 0.00 C ATOM 814 OG1 THR A 54 -19.392 1.738 1.091 1.00 0.00 O ATOM 815 CG2 THR A 54 -19.707 1.497 3.424 1.00 0.00 C ATOM 0 H THR A 54 -19.649 4.471 2.127 1.00 0.00 H new ATOM 0 HA THR A 54 -17.297 3.113 3.293 1.00 0.00 H new ATOM 0 HB THR A 54 -17.897 1.088 2.379 1.00 0.00 H new ATOM 0 HG1 THR A 54 -19.130 0.918 0.623 1.00 0.00 H new ATOM 0 HG21 THR A 54 -20.144 0.515 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.202 1.498 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 54 -20.496 2.249 3.426 1.00 0.00 H new ATOM 823 N SER A 55 -18.031 4.376 0.393 1.00 0.00 N ATOM 824 CA SER A 55 -17.484 4.839 -0.876 1.00 0.00 C ATOM 825 C SER A 55 -16.426 5.914 -0.650 1.00 0.00 C ATOM 826 O SER A 55 -16.546 7.035 -1.148 1.00 0.00 O ATOM 827 CB SER A 55 -18.604 5.385 -1.764 1.00 0.00 C ATOM 828 OG SER A 55 -19.139 4.368 -2.591 1.00 0.00 O ATOM 0 H SER A 55 -18.973 4.712 0.592 1.00 0.00 H new ATOM 0 HA SER A 55 -17.013 3.992 -1.375 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.394 5.805 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 -18.220 6.196 -2.382 1.00 0.00 H new ATOM 0 HG SER A 55 -19.854 4.741 -3.148 1.00 0.00 H new ATOM 834 N GLU A 56 -15.388 5.562 0.100 1.00 0.00 N ATOM 835 CA GLU A 56 -14.301 6.492 0.391 1.00 0.00 C ATOM 836 C GLU A 56 -13.104 6.214 -0.512 1.00 0.00 C ATOM 837 O GLU A 56 -12.712 5.063 -0.701 1.00 0.00 O ATOM 838 CB GLU A 56 -13.882 6.389 1.860 1.00 0.00 C ATOM 839 CG GLU A 56 -14.007 4.987 2.438 1.00 0.00 C ATOM 840 CD GLU A 56 -12.804 4.591 3.271 1.00 0.00 C ATOM 841 OE1 GLU A 56 -12.069 5.494 3.720 1.00 0.00 O ATOM 842 OE2 GLU A 56 -12.598 3.375 3.476 1.00 0.00 O ATOM 0 H GLU A 56 -15.275 4.639 0.518 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.659 7.503 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.848 6.721 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.493 7.071 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.905 4.930 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.132 4.272 1.625 1.00 0.00 H new ATOM 849 N SER A 57 -12.530 7.274 -1.069 1.00 0.00 N ATOM 850 CA SER A 57 -11.379 7.142 -1.954 1.00 0.00 C ATOM 851 C SER A 57 -10.333 6.211 -1.351 1.00 0.00 C ATOM 852 O SER A 57 -9.476 6.644 -0.579 1.00 0.00 O ATOM 853 CB SER A 57 -10.760 8.513 -2.231 1.00 0.00 C ATOM 854 OG SER A 57 -11.348 9.514 -1.417 1.00 0.00 O ATOM 0 H SER A 57 -12.843 8.234 -0.924 1.00 0.00 H new ATOM 0 HA SER A 57 -11.724 6.711 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.686 8.474 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.894 8.770 -3.282 1.00 0.00 H new ATOM 0 HG SER A 57 -11.115 10.399 -1.768 1.00 0.00 H new ATOM 860 N THR A 58 -10.406 4.931 -1.705 1.00 0.00 N ATOM 861 CA THR A 58 -9.462 3.945 -1.194 1.00 0.00 C ATOM 862 C THR A 58 -8.056 4.214 -1.715 1.00 0.00 C ATOM 863 O THR A 58 -7.868 4.578 -2.876 1.00 0.00 O ATOM 864 CB THR A 58 -9.895 2.531 -1.583 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.704 2.556 -2.745 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.671 1.820 -0.494 1.00 0.00 C ATOM 0 H THR A 58 -11.108 4.554 -2.342 1.00 0.00 H new ATOM 0 HA THR A 58 -9.453 4.027 -0.107 1.00 0.00 H new ATOM 0 HB THR A 58 -8.969 1.984 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.969 1.642 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.947 0.823 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.052 1.739 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.573 2.386 -0.261 1.00 0.00 H new ATOM 874 N CYS A 59 -7.071 4.028 -0.845 1.00 0.00 N ATOM 875 CA CYS A 59 -5.677 4.244 -1.207 1.00 0.00 C ATOM 876 C CYS A 59 -4.741 3.472 -0.283 1.00 0.00 C ATOM 877 O CYS A 59 -4.950 3.423 0.929 1.00 0.00 O ATOM 878 CB CYS A 59 -5.342 5.737 -1.168 1.00 0.00 C ATOM 879 SG CYS A 59 -4.658 6.304 0.424 1.00 0.00 S ATOM 0 H CYS A 59 -7.213 3.727 0.119 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.533 3.874 -2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.625 5.959 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.245 6.307 -1.387 1.00 0.00 H new ATOM 884 N CYS A 60 -3.704 2.877 -0.866 1.00 0.00 N ATOM 885 CA CYS A 60 -2.730 2.111 -0.097 1.00 0.00 C ATOM 886 C CYS A 60 -1.421 2.883 0.041 1.00 0.00 C ATOM 887 O CYS A 60 -0.413 2.527 -0.571 1.00 0.00 O ATOM 888 CB CYS A 60 -2.467 0.754 -0.759 1.00 0.00 C ATOM 889 SG CYS A 60 -3.542 0.394 -2.188 1.00 0.00 S ATOM 0 H CYS A 60 -3.517 2.911 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.144 1.944 0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.427 0.717 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.597 -0.031 -0.015 1.00 0.00 H new ATOM 894 N VAL A 61 -1.441 3.940 0.850 1.00 0.00 N ATOM 895 CA VAL A 61 -0.252 4.760 1.067 1.00 0.00 C ATOM 896 C VAL A 61 0.585 4.214 2.219 1.00 0.00 C ATOM 897 O VAL A 61 0.529 4.727 3.336 1.00 0.00 O ATOM 898 CB VAL A 61 -0.622 6.227 1.360 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.577 6.991 1.907 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.160 6.902 0.108 1.00 0.00 C ATOM 0 H VAL A 61 -2.266 4.248 1.365 1.00 0.00 H new ATOM 0 HA VAL A 61 0.331 4.722 0.147 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.404 6.235 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.291 8.024 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.915 6.524 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.385 6.973 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.416 7.937 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.400 6.878 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.050 6.375 -0.236 1.00 0.00 H new ATOM 910 N ALA A 62 1.357 3.171 1.928 1.00 0.00 N ATOM 911 CA ALA A 62 2.223 2.525 2.916 1.00 0.00 C ATOM 912 C ALA A 62 1.853 2.885 4.354 1.00 0.00 C ATOM 913 O ALA A 62 2.041 4.021 4.789 1.00 0.00 O ATOM 914 CB ALA A 62 3.678 2.881 2.657 1.00 0.00 C ATOM 0 H ALA A 62 1.402 2.748 1.001 1.00 0.00 H new ATOM 0 HA ALA A 62 2.077 1.451 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.310 2.393 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.963 2.544 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.806 3.961 2.725 1.00 0.00 H new ATOM 920 N LYS A 63 1.370 1.895 5.099 1.00 0.00 N ATOM 921 CA LYS A 63 1.019 2.089 6.497 1.00 0.00 C ATOM 922 C LYS A 63 2.219 2.667 7.222 1.00 0.00 C ATOM 923 O LYS A 63 2.094 3.476 8.142 1.00 0.00 O ATOM 924 CB LYS A 63 0.631 0.748 7.120 1.00 0.00 C ATOM 925 CG LYS A 63 -0.082 0.869 8.456 1.00 0.00 C ATOM 926 CD LYS A 63 -0.265 -0.492 9.111 1.00 0.00 C ATOM 927 CE LYS A 63 -1.655 -1.052 8.858 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.828 -2.405 9.456 1.00 0.00 N ATOM 0 H LYS A 63 1.213 0.948 4.754 1.00 0.00 H new ATOM 0 HA LYS A 63 0.174 2.772 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.012 0.209 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.531 0.147 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.490 1.519 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.055 1.338 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.483 -1.185 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.097 -0.405 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.400 -0.374 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.835 -1.104 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.789 -2.751 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.134 -3.059 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.682 -2.351 10.484 1.00 0.00 H new ATOM 942 N SER A 64 3.387 2.243 6.762 1.00 0.00 N ATOM 943 CA SER A 64 4.654 2.693 7.302 1.00 0.00 C ATOM 944 C SER A 64 5.610 2.966 6.155 1.00 0.00 C ATOM 945 O SER A 64 5.228 2.883 4.988 1.00 0.00 O ATOM 946 CB SER A 64 5.241 1.643 8.247 1.00 0.00 C ATOM 947 OG SER A 64 4.808 1.855 9.580 1.00 0.00 O ATOM 0 H SER A 64 3.479 1.573 5.999 1.00 0.00 H new ATOM 0 HA SER A 64 4.498 3.608 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.943 0.647 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.330 1.680 8.205 1.00 0.00 H new ATOM 0 HG SER A 64 5.196 1.169 10.163 1.00 0.00 H new ATOM 953 N TYR A 65 6.843 3.294 6.478 1.00 0.00 N ATOM 954 CA TYR A 65 7.830 3.579 5.447 1.00 0.00 C ATOM 955 C TYR A 65 9.233 3.563 6.002 1.00 0.00 C ATOM 956 O TYR A 65 9.446 3.709 7.205 1.00 0.00 O ATOM 957 CB TYR A 65 7.577 4.950 4.835 1.00 0.00 C ATOM 958 CG TYR A 65 7.016 5.952 5.812 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.662 5.971 6.121 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.843 6.882 6.428 1.00 0.00 C ATOM 961 CE1 TYR A 65 5.148 6.888 7.017 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.338 7.803 7.323 1.00 0.00 C ATOM 963 CZ TYR A 65 5.990 7.803 7.615 1.00 0.00 C ATOM 964 OH TYR A 65 5.484 8.719 8.508 1.00 0.00 O ATOM 0 H TYR A 65 7.188 3.371 7.435 1.00 0.00 H new ATOM 0 HA TYR A 65 7.734 2.800 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.512 5.335 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.886 4.844 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.000 5.257 5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.899 6.885 6.203 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.093 6.889 7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.995 8.520 7.792 1.00 0.00 H new ATOM 0 HH TYR A 65 6.209 9.289 8.838 1.00 0.00 H new ATOM 974 N ASN A 66 10.190 3.442 5.104 1.00 0.00 N ATOM 975 CA ASN A 66 11.587 3.473 5.492 1.00 0.00 C ATOM 976 C ASN A 66 12.299 4.413 4.562 1.00 0.00 C ATOM 977 O ASN A 66 13.492 4.298 4.289 1.00 0.00 O ATOM 978 CB ASN A 66 12.207 2.086 5.460 1.00 0.00 C ATOM 979 CG ASN A 66 12.625 1.600 6.835 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.824 1.582 7.769 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.886 1.203 6.965 1.00 0.00 N ATOM 0 H ASN A 66 10.028 3.322 4.104 1.00 0.00 H new ATOM 0 HA ASN A 66 11.679 3.822 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.492 1.383 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.077 2.096 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.224 0.866 7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.516 1.235 6.163 1.00 0.00 H new ATOM 988 N ARG A 67 11.502 5.345 4.089 1.00 0.00 N ATOM 989 CA ARG A 67 11.935 6.375 3.165 1.00 0.00 C ATOM 990 C ARG A 67 13.438 6.352 2.980 1.00 0.00 C ATOM 991 O ARG A 67 14.205 6.498 3.931 1.00 0.00 O ATOM 992 CB ARG A 67 11.481 7.740 3.661 1.00 0.00 C ATOM 993 CG ARG A 67 10.758 8.569 2.613 1.00 0.00 C ATOM 994 CD ARG A 67 10.917 10.059 2.872 1.00 0.00 C ATOM 995 NE ARG A 67 11.071 10.351 4.295 1.00 0.00 N ATOM 996 CZ ARG A 67 12.193 10.806 4.848 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.268 11.036 4.104 1.00 0.00 N ATOM 998 NH2 ARG A 67 12.238 11.033 6.154 1.00 0.00 N ATOM 0 H ARG A 67 10.515 5.411 4.339 1.00 0.00 H new ATOM 0 HA ARG A 67 11.479 6.177 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.823 7.603 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.351 8.295 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.148 8.327 1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.699 8.310 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.786 10.431 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.047 10.590 2.484 1.00 0.00 H new ATOM 0 HE ARG A 67 10.267 10.196 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.239 10.864 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.123 11.385 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.415 10.859 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.096 11.382 6.582 1.00 0.00 H new ATOM 1012 N VAL A 68 13.840 6.170 1.742 1.00 0.00 N ATOM 1013 CA VAL A 68 15.245 6.126 1.387 1.00 0.00 C ATOM 1014 C VAL A 68 15.539 7.166 0.331 1.00 0.00 C ATOM 1015 O VAL A 68 16.234 6.898 -0.647 1.00 0.00 O ATOM 1016 CB VAL A 68 15.658 4.735 0.862 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.152 3.632 1.784 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.145 4.519 -0.556 1.00 0.00 C ATOM 0 H VAL A 68 13.205 6.048 0.953 1.00 0.00 H new ATOM 0 HA VAL A 68 15.821 6.334 2.289 1.00 0.00 H new ATOM 0 HB VAL A 68 16.747 4.693 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.456 2.662 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.573 3.769 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.064 3.676 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.448 3.532 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.057 4.589 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.562 5.281 -1.214 1.00 0.00 H new ATOM 1028 N THR A 69 14.981 8.354 0.536 1.00 0.00 N ATOM 1029 CA THR A 69 15.149 9.452 -0.402 1.00 0.00 C ATOM 1030 C THR A 69 16.326 9.200 -1.317 1.00 0.00 C ATOM 1031 O THR A 69 17.465 9.069 -0.871 1.00 0.00 O ATOM 1032 CB THR A 69 15.337 10.782 0.313 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.170 11.142 1.030 1.00 0.00 O ATOM 1034 CG2 THR A 69 15.663 11.907 -0.645 1.00 0.00 C ATOM 0 H THR A 69 14.406 8.579 1.348 1.00 0.00 H new ATOM 0 HA THR A 69 14.236 9.508 -0.994 1.00 0.00 H new ATOM 0 HB THR A 69 16.175 10.641 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.406 11.176 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.788 12.835 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.586 11.676 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.850 12.021 -1.362 1.00 0.00 H new ATOM 1042 N VAL A 70 16.036 9.114 -2.598 1.00 0.00 N ATOM 1043 CA VAL A 70 17.060 8.855 -3.588 1.00 0.00 C ATOM 1044 C VAL A 70 17.114 9.952 -4.630 1.00 0.00 C ATOM 1045 O VAL A 70 16.494 11.007 -4.486 1.00 0.00 O ATOM 1046 CB VAL A 70 16.825 7.513 -4.294 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.109 6.700 -4.336 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.705 6.735 -3.612 1.00 0.00 C ATOM 0 H VAL A 70 15.096 9.220 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 70 18.009 8.822 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 70 16.518 7.712 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.923 5.752 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.874 7.256 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.452 6.509 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.554 5.787 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.975 6.544 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.784 7.317 -3.647 1.00 0.00 H new ATOM 1058 N MET A 71 17.871 9.690 -5.679 1.00 0.00 N ATOM 1059 CA MET A 71 18.035 10.641 -6.761 1.00 0.00 C ATOM 1060 C MET A 71 18.195 12.053 -6.207 1.00 0.00 C ATOM 1061 O MET A 71 18.863 12.260 -5.195 1.00 0.00 O ATOM 1062 CB MET A 71 16.846 10.588 -7.724 1.00 0.00 C ATOM 1063 CG MET A 71 16.085 9.277 -7.695 1.00 0.00 C ATOM 1064 SD MET A 71 16.463 8.219 -9.106 1.00 0.00 S ATOM 1065 CE MET A 71 18.132 7.698 -8.711 1.00 0.00 C ATOM 0 H MET A 71 18.386 8.818 -5.804 1.00 0.00 H new ATOM 0 HA MET A 71 18.936 10.371 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.160 11.400 -7.482 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.205 10.765 -8.738 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.322 8.745 -6.774 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.015 9.483 -7.678 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.810 8.017 -9.503 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.440 8.148 -7.767 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.163 6.612 -8.623 1.00 0.00 H new ATOM 1075 N GLY A 72 17.574 13.021 -6.873 1.00 0.00 N ATOM 1076 CA GLY A 72 17.660 14.395 -6.429 1.00 0.00 C ATOM 1077 C GLY A 72 16.890 14.648 -5.146 1.00 0.00 C ATOM 1078 O GLY A 72 16.863 15.773 -4.646 1.00 0.00 O ATOM 0 H GLY A 72 17.013 12.876 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.707 14.658 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.277 15.050 -7.212 1.00 0.00 H new ATOM 1082 N GLY A 73 16.263 13.605 -4.611 1.00 0.00 N ATOM 1083 CA GLY A 73 15.499 13.745 -3.389 1.00 0.00 C ATOM 1084 C GLY A 73 14.164 13.031 -3.454 1.00 0.00 C ATOM 1085 O GLY A 73 13.153 13.548 -2.981 1.00 0.00 O ATOM 0 H GLY A 73 16.272 12.664 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.079 13.350 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.332 14.803 -3.188 1.00 0.00 H new ATOM 1089 N PHE A 74 14.161 11.834 -4.036 1.00 0.00 N ATOM 1090 CA PHE A 74 12.939 11.050 -4.151 1.00 0.00 C ATOM 1091 C PHE A 74 12.503 10.559 -2.778 1.00 0.00 C ATOM 1092 O PHE A 74 13.146 10.865 -1.776 1.00 0.00 O ATOM 1093 CB PHE A 74 13.151 9.869 -5.101 1.00 0.00 C ATOM 1094 CG PHE A 74 13.198 10.275 -6.547 1.00 0.00 C ATOM 1095 CD1 PHE A 74 13.861 11.431 -6.933 1.00 0.00 C ATOM 1096 CD2 PHE A 74 12.578 9.507 -7.519 1.00 0.00 C ATOM 1097 CE1 PHE A 74 13.903 11.811 -8.261 1.00 0.00 C ATOM 1098 CE2 PHE A 74 12.615 9.883 -8.849 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.280 11.036 -9.219 1.00 0.00 C ATOM 0 H PHE A 74 14.989 11.389 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 74 12.152 11.683 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.082 9.364 -4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.347 9.147 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.350 12.041 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.059 8.603 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.422 12.713 -8.549 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.125 9.277 -9.597 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.313 11.331 -10.257 1.00 0.00 H new ATOM 1109 N LYS A 75 11.404 9.814 -2.726 1.00 0.00 N ATOM 1110 CA LYS A 75 10.903 9.308 -1.453 1.00 0.00 C ATOM 1111 C LYS A 75 10.015 8.077 -1.636 1.00 0.00 C ATOM 1112 O LYS A 75 8.819 8.196 -1.900 1.00 0.00 O ATOM 1113 CB LYS A 75 10.109 10.392 -0.715 1.00 0.00 C ATOM 1114 CG LYS A 75 10.232 11.781 -1.325 1.00 0.00 C ATOM 1115 CD LYS A 75 10.061 12.862 -0.271 1.00 0.00 C ATOM 1116 CE LYS A 75 8.933 13.817 -0.628 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.599 13.255 -0.278 1.00 0.00 N ATOM 0 H LYS A 75 10.849 9.549 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 75 11.774 9.021 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.057 10.107 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.446 10.431 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.206 11.886 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.480 11.907 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.856 12.400 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.992 13.420 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.078 14.762 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.966 14.036 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.857 13.936 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.450 12.366 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.558 13.070 0.745 1.00 0.00 H new ATOM 1131 N VAL A 76 10.601 6.897 -1.455 1.00 0.00 N ATOM 1132 CA VAL A 76 9.858 5.643 -1.557 1.00 0.00 C ATOM 1133 C VAL A 76 9.348 5.269 -0.210 1.00 0.00 C ATOM 1134 O VAL A 76 8.924 4.135 0.020 1.00 0.00 O ATOM 1135 CB VAL A 76 10.763 4.486 -2.039 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.150 4.696 -3.492 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.999 4.473 -1.150 1.00 0.00 C ATOM 0 H VAL A 76 11.591 6.782 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 76 9.049 5.795 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 76 10.240 3.532 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.787 3.875 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.251 4.726 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.690 5.637 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.663 3.667 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.520 5.426 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.700 4.317 -0.114 1.00 0.00 H new ATOM 1147 N GLU A 77 9.446 6.223 0.691 1.00 0.00 N ATOM 1148 CA GLU A 77 9.058 5.984 2.069 1.00 0.00 C ATOM 1149 C GLU A 77 9.303 4.516 2.296 1.00 0.00 C ATOM 1150 O GLU A 77 8.492 3.803 2.879 1.00 0.00 O ATOM 1151 CB GLU A 77 7.589 6.349 2.293 1.00 0.00 C ATOM 1152 CG GLU A 77 7.375 7.345 3.420 1.00 0.00 C ATOM 1153 CD GLU A 77 7.364 8.781 2.933 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.271 8.989 1.705 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.451 9.695 3.779 1.00 0.00 O ATOM 0 H GLU A 77 9.788 7.165 0.499 1.00 0.00 H new ATOM 0 HA GLU A 77 9.626 6.597 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.182 6.763 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.027 5.441 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.431 7.127 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.163 7.223 4.163 1.00 0.00 H new ATOM 1162 N ASN A 78 10.425 4.081 1.712 1.00 0.00 N ATOM 1163 CA ASN A 78 10.816 2.692 1.690 1.00 0.00 C ATOM 1164 C ASN A 78 9.770 1.894 2.415 1.00 0.00 C ATOM 1165 O ASN A 78 9.987 1.348 3.496 1.00 0.00 O ATOM 1166 CB ASN A 78 12.201 2.445 2.248 1.00 0.00 C ATOM 1167 CG ASN A 78 12.624 1.052 1.874 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.798 0.736 0.699 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.783 0.218 2.870 1.00 0.00 N ATOM 0 H ASN A 78 11.085 4.700 1.240 1.00 0.00 H new ATOM 0 HA ASN A 78 10.879 2.370 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.906 3.175 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.199 2.562 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.626 0.532 3.828 1.00 0.00 H new ATOM 1174 N HIS A 79 8.606 1.907 1.802 1.00 0.00 N ATOM 1175 CA HIS A 79 7.430 1.272 2.338 1.00 0.00 C ATOM 1176 C HIS A 79 7.727 0.005 3.099 1.00 0.00 C ATOM 1177 O HIS A 79 8.335 -0.937 2.600 1.00 0.00 O ATOM 1178 CB HIS A 79 6.405 1.054 1.236 1.00 0.00 C ATOM 1179 CG HIS A 79 5.949 2.363 0.696 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.984 2.538 -0.265 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.388 3.595 1.019 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.873 3.854 -0.498 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.707 4.542 0.260 1.00 0.00 N ATOM 0 H HIS A 79 8.452 2.367 0.905 1.00 0.00 H new ATOM 0 HA HIS A 79 7.005 1.950 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.841 0.454 0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.554 0.496 1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.150 3.814 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.191 4.293 -1.211 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.827 5.555 0.284 1.00 0.00 H new ATOM 1191 N THR A 80 7.279 0.019 4.333 1.00 0.00 N ATOM 1192 CA THR A 80 7.457 -1.105 5.234 1.00 0.00 C ATOM 1193 C THR A 80 6.114 -1.782 5.515 1.00 0.00 C ATOM 1194 O THR A 80 6.065 -2.909 6.009 1.00 0.00 O ATOM 1195 CB THR A 80 8.115 -0.625 6.524 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.161 -0.016 7.376 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.220 0.380 6.269 1.00 0.00 C ATOM 0 H THR A 80 6.780 0.808 4.744 1.00 0.00 H new ATOM 0 HA THR A 80 8.108 -1.844 4.767 1.00 0.00 H new ATOM 0 HB THR A 80 8.542 -1.511 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.495 -0.020 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.656 0.690 7.219 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.991 -0.076 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.809 1.250 5.757 1.00 0.00 H new ATOM 1205 N ALA A 81 5.029 -1.085 5.180 1.00 0.00 N ATOM 1206 CA ALA A 81 3.679 -1.604 5.370 1.00 0.00 C ATOM 1207 C ALA A 81 2.695 -0.817 4.511 1.00 0.00 C ATOM 1208 O ALA A 81 2.892 0.373 4.276 1.00 0.00 O ATOM 1209 CB ALA A 81 3.285 -1.529 6.839 1.00 0.00 C ATOM 0 H ALA A 81 5.062 -0.151 4.772 1.00 0.00 H new ATOM 0 HA ALA A 81 3.655 -2.649 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.275 -1.920 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.980 -2.122 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.317 -0.492 7.172 1.00 0.00 H new ATOM 1215 N CYS A 82 1.641 -1.479 4.035 1.00 0.00 N ATOM 1216 CA CYS A 82 0.639 -0.814 3.200 1.00 0.00 C ATOM 1217 C CYS A 82 -0.769 -1.028 3.750 1.00 0.00 C ATOM 1218 O CYS A 82 -1.034 -2.009 4.445 1.00 0.00 O ATOM 1219 CB CYS A 82 0.715 -1.310 1.755 1.00 0.00 C ATOM 1220 SG CYS A 82 0.462 0.010 0.522 1.00 0.00 S ATOM 0 H CYS A 82 1.459 -2.467 4.211 1.00 0.00 H new ATOM 0 HA CYS A 82 0.858 0.254 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.688 -1.772 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.036 -2.086 1.605 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.667 -0.100 3.433 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.050 -0.181 3.894 1.00 0.00 C ATOM 1227 C HIS A 83 -3.980 0.595 2.967 1.00 0.00 C ATOM 1228 O HIS A 83 -3.912 1.821 2.886 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.165 0.363 5.320 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.695 1.778 5.462 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.955 2.547 6.575 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -1.975 2.563 4.625 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.417 3.743 6.418 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.816 3.778 5.243 1.00 0.00 N ATOM 0 H HIS A 83 -1.462 0.717 2.858 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.349 -1.229 3.885 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.205 0.300 5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.586 -0.272 5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.597 2.285 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.461 4.554 7.130 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.315 4.578 4.857 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.850 -0.128 2.267 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.796 0.494 1.345 1.00 0.00 C ATOM 1245 C CYS A 84 -7.084 0.884 2.060 1.00 0.00 C ATOM 1246 O CYS A 84 -7.742 0.042 2.670 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.120 -0.453 0.191 1.00 0.00 C ATOM 1248 SG CYS A 84 -7.612 0.011 -0.746 1.00 0.00 S ATOM 0 H CYS A 84 -4.920 -1.144 2.320 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.328 1.396 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.270 -0.484 -0.490 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.249 -1.461 0.586 1.00 0.00 H new ATOM 1253 N SER A 85 -7.435 2.167 1.968 1.00 0.00 N ATOM 1254 CA SER A 85 -8.651 2.697 2.592 1.00 0.00 C ATOM 1255 C SER A 85 -8.318 3.776 3.618 1.00 0.00 C ATOM 1256 O SER A 85 -8.889 3.807 4.708 1.00 0.00 O ATOM 1257 CB SER A 85 -9.460 1.582 3.260 1.00 0.00 C ATOM 1258 OG SER A 85 -10.660 2.086 3.818 1.00 0.00 O ATOM 0 H SER A 85 -6.890 2.865 1.463 1.00 0.00 H new ATOM 0 HA SER A 85 -9.254 3.141 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.693 0.809 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.862 1.112 4.041 1.00 0.00 H new ATOM 0 HG SER A 85 -11.234 2.430 3.102 1.00 0.00 H new ATOM 1264 N THR A 86 -7.392 4.661 3.263 1.00 0.00 N ATOM 1265 CA THR A 86 -6.988 5.742 4.153 1.00 0.00 C ATOM 1266 C THR A 86 -6.602 6.984 3.355 1.00 0.00 C ATOM 1267 O THR A 86 -5.434 7.371 3.314 1.00 0.00 O ATOM 1268 CB THR A 86 -5.815 5.302 5.031 1.00 0.00 C ATOM 1269 OG1 THR A 86 -4.678 5.008 4.240 1.00 0.00 O ATOM 1270 CG2 THR A 86 -6.121 4.079 5.868 1.00 0.00 C ATOM 0 H THR A 86 -6.908 4.650 2.365 1.00 0.00 H new ATOM 0 HA THR A 86 -7.836 5.988 4.792 1.00 0.00 H new ATOM 0 HB THR A 86 -5.624 6.142 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.501 5.755 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.248 3.820 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.963 4.290 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.373 3.244 5.214 1.00 0.00 H new ATOM 1278 N CYS A 87 -7.590 7.602 2.719 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.355 8.799 1.920 1.00 0.00 C ATOM 1280 C CYS A 87 -8.634 9.615 1.777 1.00 0.00 C ATOM 1281 O CYS A 87 -9.346 9.499 0.780 1.00 0.00 O ATOM 1282 CB CYS A 87 -6.830 8.419 0.534 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.016 8.303 0.429 1.00 0.00 S ATOM 0 H CYS A 87 -8.562 7.294 2.741 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.608 9.405 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.261 7.461 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.178 9.157 -0.189 1.00 0.00 H new ATOM 1288 N TYR A 88 -8.921 10.443 2.776 1.00 0.00 N ATOM 1289 CA TYR A 88 -10.115 11.276 2.754 1.00 0.00 C ATOM 1290 C TYR A 88 -9.815 12.645 2.156 1.00 0.00 C ATOM 1291 O TYR A 88 -8.754 13.221 2.396 1.00 0.00 O ATOM 1292 CB TYR A 88 -10.684 11.433 4.165 1.00 0.00 C ATOM 1293 CG TYR A 88 -9.869 12.345 5.054 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.903 13.723 4.884 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -9.071 11.827 6.065 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -9.162 14.560 5.699 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -8.328 12.656 6.883 1.00 0.00 C ATOM 1298 CZ TYR A 88 -8.377 14.021 6.696 1.00 0.00 C ATOM 1299 OH TYR A 88 -7.639 14.849 7.509 1.00 0.00 O ATOM 0 H TYR A 88 -8.343 10.554 3.609 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.857 10.782 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.700 11.822 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.750 10.450 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.517 14.148 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.030 10.758 6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.198 15.630 5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.712 12.237 7.665 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.142 14.310 8.160 1.00 0.00 H new ATOM 1309 N TYR A 89 -10.759 13.160 1.375 1.00 0.00 N ATOM 1310 CA TYR A 89 -10.603 14.462 0.738 1.00 0.00 C ATOM 1311 C TYR A 89 -11.926 14.934 0.148 1.00 0.00 C ATOM 1312 O TYR A 89 -12.903 14.184 0.121 1.00 0.00 O ATOM 1313 CB TYR A 89 -9.544 14.392 -0.364 1.00 0.00 C ATOM 1314 CG TYR A 89 -10.081 13.884 -1.680 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -10.901 12.763 -1.728 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -9.774 14.523 -2.875 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -11.398 12.291 -2.928 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -10.267 14.058 -4.079 1.00 0.00 C ATOM 1319 CZ TYR A 89 -11.078 12.942 -4.101 1.00 0.00 C ATOM 1320 OH TYR A 89 -11.571 12.475 -5.297 1.00 0.00 O ATOM 0 H TYR A 89 -11.642 12.694 1.168 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.282 15.175 1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.119 15.385 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.732 13.743 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.154 12.252 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.140 15.397 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.033 11.418 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.019 14.566 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.253 13.046 -6.027 1.00 0.00 H new ATOM 1330 N HIS A 90 -11.948 16.176 -0.328 1.00 0.00 N ATOM 1331 CA HIS A 90 -13.148 16.754 -0.927 1.00 0.00 C ATOM 1332 C HIS A 90 -14.413 16.092 -0.381 1.00 0.00 C ATOM 1333 O HIS A 90 -15.067 15.316 -1.077 1.00 0.00 O ATOM 1334 CB HIS A 90 -13.097 16.607 -2.451 1.00 0.00 C ATOM 1335 CG HIS A 90 -11.855 17.177 -3.067 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -11.134 18.204 -2.494 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -11.207 16.857 -4.212 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -10.097 18.492 -3.261 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -10.119 17.688 -4.308 1.00 0.00 N ATOM 0 H HIS A 90 -11.145 16.804 -0.310 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.179 17.812 -0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -13.168 15.550 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.967 17.100 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.493 16.091 -4.918 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.358 19.255 -3.065 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.437 17.685 -5.066 1.00 0.00 H new ATOM 1348 N LYS A 91 -14.749 16.398 0.870 1.00 0.00 N ATOM 1349 CA LYS A 91 -15.931 15.824 1.505 1.00 0.00 C ATOM 1350 C LYS A 91 -17.018 16.877 1.708 1.00 0.00 C ATOM 1351 O LYS A 91 -18.052 16.602 2.316 1.00 0.00 O ATOM 1352 CB LYS A 91 -15.547 15.178 2.845 1.00 0.00 C ATOM 1353 CG LYS A 91 -15.980 15.966 4.077 1.00 0.00 C ATOM 1354 CD LYS A 91 -16.836 15.119 5.004 1.00 0.00 C ATOM 1355 CE LYS A 91 -16.196 14.976 6.374 1.00 0.00 C ATOM 1356 NZ LYS A 91 -15.178 13.889 6.402 1.00 0.00 N ATOM 0 H LYS A 91 -14.220 17.039 1.462 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.334 15.056 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.988 14.182 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.465 15.049 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.099 16.318 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.540 16.849 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.822 15.573 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.983 14.132 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.728 15.919 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.968 14.769 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.765 13.824 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.629 12.984 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.428 14.098 5.713 1.00 0.00 H new ATOM 1370 N SER A 92 -16.777 18.081 1.202 1.00 0.00 N ATOM 1371 CA SER A 92 -17.737 19.169 1.337 1.00 0.00 C ATOM 1372 C SER A 92 -18.188 19.670 -0.030 1.00 0.00 C ATOM 1373 O SER A 92 -19.152 19.098 -0.582 1.00 0.00 O ATOM 1374 CB SER A 92 -17.127 20.320 2.140 1.00 0.00 C ATOM 1375 OG SER A 92 -16.084 20.949 1.416 1.00 0.00 O ATOM 1376 OXT SER A 92 -17.577 20.633 -0.540 1.00 0.00 O ATOM 0 H SER A 92 -15.927 18.328 0.696 1.00 0.00 H new ATOM 0 HA SER A 92 -18.608 18.787 1.869 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.900 21.050 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.741 19.943 3.087 1.00 0.00 H new ATOM 0 HG SER A 92 -16.335 21.014 0.471 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.045 -1.168 2.627 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.439 -1.505 3.157 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.669 -3.009 3.145 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.539 -3.709 3.874 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.217 -3.343 3.233 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.027 -3.979 3.931 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.275 0.022 2.846 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.279 0.673 1.908 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.430 -0.861 2.321 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.900 -3.304 3.788 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.720 -5.136 3.823 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.014 -1.930 3.283 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.803 -3.540 3.362 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.272 0.319 4.040 1.00 0.00 O HETATM 0 HO6 NAG A 178 9.855 -2.580 3.174 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.751 -3.973 4.488 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.480 -1.085 1.327 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.907 -0.095 1.458 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.748 1.213 1.124 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.903 1.369 2.469 1.00 0.00 H new HETATM 0 H62 NAG A 178 11.097 -5.064 3.858 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.048 -3.729 4.992 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.275 -3.710 2.208 1.00 0.00 H new HETATM 0 H4 NAG A 178 13.541 -3.390 4.916 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.701 -3.359 2.113 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.523 -1.149 4.184 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.619 -5.787 5.042 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.554 -7.292 4.831 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.535 -8.007 6.167 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.707 -7.566 7.017 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.760 -6.049 7.130 1.00 0.00 C HETATM 1415 C6 NAG A 179 16.012 -5.572 7.838 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.182 -7.203 2.849 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.880 -7.574 2.159 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.351 -7.628 4.097 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.618 -9.407 5.950 1.00 0.00 O HETATM 1420 O4 NAG A 179 14.562 -8.122 8.335 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.761 -5.426 5.828 1.00 0.00 O HETATM 1422 O6 NAG A 179 16.094 -4.155 7.846 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.029 -6.546 2.245 1.00 0.00 O HETATM 0 HO6 NAG A 179 15.653 -3.797 7.047 1.00 0.00 H new HETATM 0 HO3 NAG A 179 13.608 -9.873 6.812 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.629 -8.195 4.541 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.790 -8.659 2.111 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.041 -7.165 2.721 1.00 0.00 H new HETATM 0 H81 NAG A 179 10.874 -7.164 1.149 1.00 0.00 H new HETATM 0 H62 NAG A 179 16.017 -5.944 8.863 1.00 0.00 H new HETATM 0 H61 NAG A 179 16.891 -5.986 7.344 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.874 -5.769 7.700 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.627 -7.915 6.547 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.608 -7.762 6.686 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.432 -7.606 4.267 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.715 -8.611 8.916 1.00 0.00 C HETATM 1438 C2 BMA A 180 15.488 -8.811 10.406 1.00 0.00 C HETATM 1439 C3 BMA A 180 16.715 -9.440 11.047 1.00 0.00 C HETATM 1440 C4 BMA A 180 17.122 -10.696 10.297 1.00 0.00 C HETATM 1441 C5 BMA A 180 17.259 -10.418 8.808 1.00 0.00 C HETATM 1442 C6 BMA A 180 17.525 -11.678 8.012 1.00 0.00 C HETATM 1443 O2 BMA A 180 14.368 -9.664 10.595 1.00 0.00 O HETATM 1444 O3 BMA A 180 16.428 -9.790 12.411 1.00 0.00 O HETATM 1445 O4 BMA A 180 18.371 -11.150 10.798 1.00 0.00 O HETATM 1446 O5 BMA A 180 16.053 -9.843 8.273 1.00 0.00 O HETATM 1447 O6 BMA A 180 17.415 -11.398 6.605 1.00 0.00 O HETATM 0 HO4 BMA A 180 18.491 -12.096 10.570 1.00 0.00 H new HETATM 0 HO2 BMA A 180 14.518 -10.232 11.379 1.00 0.00 H new HETATM 0 H62 BMA A 180 18.520 -12.059 8.239 1.00 0.00 H new HETATM 0 H61 BMA A 180 16.814 -12.454 8.294 1.00 0.00 H new HETATM 0 H5 BMA A 180 18.100 -9.730 8.717 1.00 0.00 H new HETATM 0 H4 BMA A 180 16.352 -11.454 10.442 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.529 -8.716 11.010 1.00 0.00 H new HETATM 0 H2 BMA A 180 15.304 -7.843 10.872 1.00 0.00 H new HETATM 1457 C1 MAN A 181 16.580 -8.756 13.337 1.00 0.00 C HETATM 1458 C2 MAN A 181 18.038 -8.316 13.369 1.00 0.00 C HETATM 1459 C3 MAN A 181 18.921 -9.410 13.947 1.00 0.00 C HETATM 1460 C4 MAN A 181 18.395 -9.852 15.299 1.00 0.00 C HETATM 1461 C5 MAN A 181 16.928 -10.241 15.195 1.00 0.00 C HETATM 1462 C6 MAN A 181 16.319 -10.562 16.545 1.00 0.00 C HETATM 1463 O2 MAN A 181 18.143 -7.148 14.202 1.00 0.00 O HETATM 1464 O3 MAN A 181 20.242 -8.908 14.100 1.00 0.00 O HETATM 1465 O4 MAN A 181 19.147 -10.969 15.751 1.00 0.00 O HETATM 1466 O5 MAN A 181 16.147 -9.167 14.632 1.00 0.00 O HETATM 1467 O6 MAN A 181 16.419 -9.456 17.431 1.00 0.00 O HETATM 0 HO6 MAN A 181 16.567 -8.636 16.915 1.00 0.00 H new HETATM 0 HO4 MAN A 181 19.046 -11.060 16.722 1.00 0.00 H new HETATM 0 HO3 MAN A 181 20.280 -7.983 13.779 1.00 0.00 H new HETATM 0 H62 MAN A 181 15.272 -10.836 16.418 1.00 0.00 H new HETATM 0 H61 MAN A 181 16.824 -11.425 16.979 1.00 0.00 H new HETATM 0 H5 MAN A 181 16.904 -11.125 14.557 1.00 0.00 H new HETATM 0 H4 MAN A 181 18.492 -9.027 16.004 1.00 0.00 H new HETATM 0 H3 MAN A 181 18.919 -10.264 13.270 1.00 0.00 H new HETATM 0 H2 MAN A 181 18.367 -8.103 12.352 1.00 0.00 H new HETATM 1478 C1 MAN A 182 18.359 -12.111 5.864 1.00 0.00 C HETATM 1479 C2 MAN A 182 18.219 -11.717 4.400 1.00 0.00 C HETATM 1480 C3 MAN A 182 16.927 -12.261 3.809 1.00 0.00 C HETATM 1481 C4 MAN A 182 16.828 -13.755 4.047 1.00 0.00 C HETATM 1482 C5 MAN A 182 16.981 -14.065 5.527 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.015 -15.554 5.802 1.00 0.00 C HETATM 1484 O2 MAN A 182 19.325 -12.271 3.680 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.912 -12.006 2.412 1.00 0.00 O HETATM 1486 O4 MAN A 182 15.565 -14.221 3.595 1.00 0.00 O HETATM 1487 O5 MAN A 182 18.209 -13.520 6.042 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.078 -16.182 5.102 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.825 -15.554 5.009 1.00 0.00 H new HETATM 0 HO4 MAN A 182 15.262 -13.668 2.845 1.00 0.00 H new HETATM 0 HO3 MAN A 182 17.826 -12.051 2.061 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.129 -15.726 6.872 1.00 0.00 H new HETATM 0 H61 MAN A 182 16.067 -16.003 5.507 1.00 0.00 H new HETATM 0 H5 MAN A 182 16.114 -13.617 6.013 1.00 0.00 H new HETATM 0 H4 MAN A 182 17.626 -14.255 3.497 1.00 0.00 H new HETATM 0 H3 MAN A 182 16.080 -11.770 4.289 1.00 0.00 H new HETATM 0 H2 MAN A 182 18.202 -10.630 4.324 1.00 0.00 H new HETATM 1499 C1 NAG A 183 20.328 -11.395 3.316 1.00 0.00 C HETATM 1500 C2 NAG A 183 21.433 -12.195 2.623 1.00 0.00 C HETATM 1501 C3 NAG A 183 22.500 -11.267 2.081 1.00 0.00 C HETATM 1502 C4 NAG A 183 21.873 -10.207 1.204 1.00 0.00 C HETATM 1503 C5 NAG A 183 20.754 -9.494 1.943 1.00 0.00 C HETATM 1504 C6 NAG A 183 20.021 -8.506 1.060 1.00 0.00 C HETATM 1505 C7 NAG A 183 21.888 -14.407 3.446 1.00 0.00 C HETATM 1506 C8 NAG A 183 22.316 -15.277 4.613 1.00 0.00 C HETATM 1507 N2 NAG A 183 22.031 -13.096 3.585 1.00 0.00 N HETATM 1508 O3 NAG A 183 23.430 -12.021 1.318 1.00 0.00 O HETATM 1509 O4 NAG A 183 22.879 -9.251 0.828 1.00 0.00 O HETATM 1510 O5 NAG A 183 19.774 -10.438 2.415 1.00 0.00 O HETATM 1511 O6 NAG A 183 19.435 -9.156 -0.059 1.00 0.00 O HETATM 1512 O7 NAG A 183 21.434 -14.926 2.425 1.00 0.00 O HETATM 0 HO6 NAG A 183 19.091 -10.032 0.215 1.00 0.00 H new HETATM 0 HO3 NAG A 183 23.512 -11.630 0.423 1.00 0.00 H new HETATM 0 HN2 NAG A 183 22.563 -12.722 4.371 1.00 0.00 H new HETATM 0 H83 NAG A 183 23.375 -15.119 4.815 1.00 0.00 H new HETATM 0 H82 NAG A 183 21.735 -15.013 5.496 1.00 0.00 H new HETATM 0 H81 NAG A 183 22.146 -16.325 4.367 1.00 0.00 H new HETATM 0 H62 NAG A 183 19.247 -8.002 1.638 1.00 0.00 H new HETATM 0 H61 NAG A 183 20.713 -7.737 0.716 1.00 0.00 H new HETATM 0 H5 NAG A 183 21.231 -8.967 2.770 1.00 0.00 H new HETATM 0 H4 NAG A 183 21.457 -10.684 0.317 1.00 0.00 H new HETATM 0 H3 NAG A 183 23.009 -10.782 2.914 1.00 0.00 H new HETATM 0 H2 NAG A 183 21.001 -12.755 1.794 1.00 0.00 H new HETATM 1526 C1 NAG A 184 18.605 -5.996 13.596 1.00 0.00 C HETATM 1527 C2 NAG A 184 18.621 -4.856 14.616 1.00 0.00 C HETATM 1528 C3 NAG A 184 19.204 -3.603 13.989 1.00 0.00 C HETATM 1529 C4 NAG A 184 20.568 -3.902 13.390 1.00 0.00 C HETATM 1530 C5 NAG A 184 20.492 -5.103 12.457 1.00 0.00 C HETATM 1531 C6 NAG A 184 21.858 -5.529 11.950 1.00 0.00 C HETATM 1532 C7 NAG A 184 16.576 -5.507 15.729 1.00 0.00 C HETATM 1533 C8 NAG A 184 15.138 -5.178 16.097 1.00 0.00 C HETATM 1534 N2 NAG A 184 17.265 -4.584 15.062 1.00 0.00 N HETATM 1535 O3 NAG A 184 19.338 -2.604 14.989 1.00 0.00 O HETATM 1536 O4 NAG A 184 21.016 -2.758 12.635 1.00 0.00 O HETATM 1537 O5 NAG A 184 19.926 -6.248 13.127 1.00 0.00 O HETATM 1538 O6 NAG A 184 21.764 -6.659 11.094 1.00 0.00 O HETATM 1539 O7 NAG A 184 17.058 -6.589 16.063 1.00 0.00 O HETATM 0 HO6 NAG A 184 20.956 -7.168 11.312 1.00 0.00 H new HETATM 0 HO3 NAG A 184 19.087 -1.733 14.617 1.00 0.00 H new HETATM 0 HN2 NAG A 184 16.838 -3.679 14.862 1.00 0.00 H new HETATM 0 H83 NAG A 184 15.118 -4.290 16.729 1.00 0.00 H new HETATM 0 H82 NAG A 184 14.564 -4.990 15.190 1.00 0.00 H new HETATM 0 H81 NAG A 184 14.699 -6.018 16.636 1.00 0.00 H new HETATM 0 H62 NAG A 184 22.323 -4.702 11.413 1.00 0.00 H new HETATM 0 H61 NAG A 184 22.505 -5.764 12.795 1.00 0.00 H new HETATM 0 H5 NAG A 184 19.867 -4.783 11.623 1.00 0.00 H new HETATM 0 H4 NAG A 184 21.263 -4.122 14.200 1.00 0.00 H new HETATM 0 H3 NAG A 184 18.539 -3.254 13.198 1.00 0.00 H new HETATM 0 H2 NAG A 184 19.236 -5.150 15.466 1.00 0.00 H new HETATM 1553 C1 GAL A 185 22.128 -2.087 13.121 1.00 0.00 C HETATM 1554 C2 GAL A 185 21.731 -1.231 14.314 1.00 0.00 C HETATM 1555 C3 GAL A 185 22.953 -0.569 14.922 1.00 0.00 C HETATM 1556 C4 GAL A 185 24.025 -1.601 15.223 1.00 0.00 C HETATM 1557 C5 GAL A 185 24.316 -2.450 13.993 1.00 0.00 C HETATM 1558 C6 GAL A 185 25.283 -3.577 14.291 1.00 0.00 C HETATM 1559 O2 GAL A 185 20.824 -0.228 13.880 1.00 0.00 O HETATM 1560 O3 GAL A 185 22.582 0.083 16.128 1.00 0.00 O HETATM 1561 O4 GAL A 185 23.577 -2.444 16.274 1.00 0.00 O HETATM 1562 O5 GAL A 185 23.114 -3.061 13.486 1.00 0.00 O HETATM 1563 O6 GAL A 185 24.780 -4.429 15.310 1.00 0.00 O HETATM 0 HO6 GAL A 185 25.423 -5.148 15.482 1.00 0.00 H new HETATM 0 HO4 GAL A 185 23.715 -3.381 16.023 1.00 0.00 H new HETATM 0 HO3 GAL A 185 22.778 -0.502 16.890 1.00 0.00 H new HETATM 0 HO2 GAL A 185 20.300 -0.566 13.124 1.00 0.00 H new HETATM 0 H62 GAL A 185 25.462 -4.156 13.385 1.00 0.00 H new HETATM 0 H61 GAL A 185 26.243 -3.164 14.600 1.00 0.00 H new HETATM 0 H5 GAL A 185 24.749 -1.767 13.263 1.00 0.00 H new HETATM 0 H4 GAL A 185 24.938 -1.083 15.515 1.00 0.00 H new HETATM 0 H3 GAL A 185 23.350 0.155 14.210 1.00 0.00 H new HETATM 0 H2 GAL A 185 21.263 -1.865 15.067 1.00 0.00 H new HETATM 1575 C1 GAL A 186 23.071 -9.102 -0.531 1.00 0.00 C HETATM 1576 C2 GAL A 186 24.344 -8.308 -0.789 1.00 0.00 C HETATM 1577 C3 GAL A 186 24.634 -8.245 -2.279 1.00 0.00 C HETATM 1578 C4 GAL A 186 24.636 -9.641 -2.880 1.00 0.00 C HETATM 1579 C5 GAL A 186 23.353 -10.380 -2.526 1.00 0.00 C HETATM 1580 C6 GAL A 186 23.371 -11.822 -2.989 1.00 0.00 C HETATM 1581 O2 GAL A 186 24.182 -6.989 -0.290 1.00 0.00 O HETATM 1582 O3 GAL A 186 25.905 -7.646 -2.482 1.00 0.00 O HETATM 1583 O4 GAL A 186 25.744 -10.368 -2.371 1.00 0.00 O HETATM 1584 O5 GAL A 186 23.153 -10.412 -1.101 1.00 0.00 O HETATM 1585 O6 GAL A 186 24.432 -12.545 -2.380 1.00 0.00 O HETATM 0 HO6 GAL A 186 24.419 -13.473 -2.696 1.00 0.00 H new HETATM 0 HO4 GAL A 186 25.432 -11.213 -1.985 1.00 0.00 H new HETATM 0 HO3 GAL A 186 26.580 -8.345 -2.604 1.00 0.00 H new HETATM 0 HO2 GAL A 186 24.562 -6.349 -0.928 1.00 0.00 H new HETATM 0 H62 GAL A 186 22.419 -12.296 -2.748 1.00 0.00 H new HETATM 0 H61 GAL A 186 23.479 -11.857 -4.073 1.00 0.00 H new HETATM 0 H5 GAL A 186 22.555 -9.835 -3.030 1.00 0.00 H new HETATM 0 H4 GAL A 186 24.706 -9.554 -3.964 1.00 0.00 H new HETATM 0 H3 GAL A 186 23.858 -7.654 -2.765 1.00 0.00 H new HETATM 0 H2 GAL A 186 25.176 -8.800 -0.285 1.00 0.00 H new