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 O3 : rot 113:sc= -0.602! USER MOD Set 1.2: A 186 GAL O6 : rot 180:sc= 0 USER MOD Set 2.1: A 181 MAN O3 : rot -21:sc= 1.29 USER MOD Set 2.2: A 184 NAG O6 : rot -28:sc= 0.0305 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 61:sc= 0.469 USER MOD Single : A 1 ALA N :NH3+ -110:sc= -1.36! (180deg=-3.42!) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.161 F(o=-0.73,f=-0.16) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0922 USER MOD Single : A 13 GLN : amide:sc= -5.59! C(o=-5.6!,f=-7.1!) USER MOD Single : A 15 ASN :FLIP amide:sc= -19.1! C(o=-25!,f=-19!) USER MOD Single : A 19 SER OG : rot -11:sc= 0.332! USER MOD Single : A 20 GLN : amide:sc=-0.00291 X(o=-0.0029,f=-0.11) USER MOD Single : A 27 GLN : amide:sc= -0.0364 X(o=-0.036,f=0) 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 43 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -3.12! C(o=-3.1!,f=-7.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.889 X(o=-0.89,f=-0.62) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.203 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.975! 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= -0.0216 X(o=-0.022,f=-0.15) USER MOD Single : A 69 THR OG1 : rot -56:sc= 0.232 USER MOD Single : A 71 MET CE :methyl -164:sc= -0.495 (180deg=-1.09) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -15.1! C(o=-15!,f=-15!) USER MOD Single : A 80 THR OG1 : rot -40:sc= -6.3! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -9.16! C(o=-12!,f=-9.2!) USER MOD Single : A 85 SER OG : rot 37:sc= 0.193 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= -0.343 X(o=-0.34,f=-0.19) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.845! (180deg=-1.97!) USER MOD Single : A 92 SER OG : rot -23:sc= -0.209 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0165 USER MOD Single : A 179 NAG O3 : rot -99:sc= 0.132 USER MOD Single : A 179 NAG O6 : rot 34:sc= 0.0042 USER MOD Single : A 180 BMA O2 : rot -32:sc= 0.0423 USER MOD Single : A 180 BMA O4 : rot 150:sc= -3.17! USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot -34:sc= 0.0321 USER MOD Single : A 182 MAN O3 : rot 28:sc= 0.0661 USER MOD Single : A 182 MAN O4 : rot -159:sc= 1.07 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.9 USER MOD Single : A 183 NAG O6 : rot -37:sc= 0.0582 USER MOD Single : A 184 NAG O3 : rot -160:sc=-0.00673 USER MOD Single : A 185 GAL O2 : rot -55:sc= -3.56! USER MOD Single : A 185 GAL O3 : rot 93:sc= 0.102 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0772 USER MOD Single : A 185 GAL O6 : rot -34:sc= 0.0374 USER MOD Single : A 186 GAL O2 : rot 27:sc= 0.00278 USER MOD Single : A 186 GAL O3 : rot 87:sc= 0.0766 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0798 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.108 3.039 -28.476 1.00 0.00 N ATOM 2 CA ALA A 1 -6.542 3.314 -28.196 1.00 0.00 C ATOM 3 C ALA A 1 -6.889 2.985 -26.747 1.00 0.00 C ATOM 4 O ALA A 1 -7.190 3.874 -25.951 1.00 0.00 O ATOM 5 CB ALA A 1 -7.426 2.519 -29.142 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.602 3.938 -28.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.690 2.524 -27.675 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.027 2.463 -29.338 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.721 4.377 -28.356 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.473 2.730 -28.925 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.204 2.802 -30.171 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.236 1.454 -29.009 1.00 0.00 H new ATOM 13 N PRO A 2 -6.850 1.692 -26.393 1.00 0.00 N ATOM 14 CA PRO A 2 -7.155 1.224 -25.050 1.00 0.00 C ATOM 15 C PRO A 2 -6.694 2.203 -23.976 1.00 0.00 C ATOM 16 O PRO A 2 -5.573 2.710 -24.023 1.00 0.00 O ATOM 17 CB PRO A 2 -6.375 -0.094 -24.943 1.00 0.00 C ATOM 18 CG PRO A 2 -5.932 -0.448 -26.334 1.00 0.00 C ATOM 19 CD PRO A 2 -6.505 0.580 -27.277 1.00 0.00 C ATOM 0 HA PRO A 2 -8.228 1.113 -24.893 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.517 0.017 -24.280 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.002 -0.882 -24.524 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.844 -0.459 -26.397 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.277 -1.447 -26.602 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.781 0.878 -28.035 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.380 0.199 -27.804 1.00 0.00 H new ATOM 27 N ASP A 3 -7.564 2.461 -23.004 1.00 0.00 N ATOM 28 CA ASP A 3 -7.244 3.378 -21.916 1.00 0.00 C ATOM 29 C ASP A 3 -6.992 2.617 -20.618 1.00 0.00 C ATOM 30 O ASP A 3 -5.949 2.782 -19.984 1.00 0.00 O ATOM 31 CB ASP A 3 -8.377 4.387 -21.721 1.00 0.00 C ATOM 32 CG ASP A 3 -8.429 5.416 -22.833 1.00 0.00 C ATOM 33 OD1 ASP A 3 -7.692 6.421 -22.747 1.00 0.00 O ATOM 34 OD2 ASP A 3 -9.205 5.216 -23.791 1.00 0.00 O ATOM 0 H ASP A 3 -8.495 2.048 -22.948 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.333 3.914 -22.182 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.328 3.857 -21.675 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.248 4.895 -20.765 1.00 0.00 H new ATOM 39 N VAL A 4 -7.950 1.782 -20.226 1.00 0.00 N ATOM 40 CA VAL A 4 -7.822 0.999 -19.002 1.00 0.00 C ATOM 41 C VAL A 4 -6.848 -0.158 -19.191 1.00 0.00 C ATOM 42 O VAL A 4 -6.672 -0.661 -20.301 1.00 0.00 O ATOM 43 CB VAL A 4 -9.183 0.447 -18.537 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.913 1.478 -17.689 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.030 0.031 -19.729 1.00 0.00 C ATOM 0 H VAL A 4 -8.820 1.631 -20.736 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.437 1.672 -18.236 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.005 -0.437 -17.924 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.873 1.072 -17.369 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.311 1.721 -16.813 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.079 2.381 -18.277 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.987 -0.356 -19.378 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.201 0.894 -20.372 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.510 -0.744 -20.292 1.00 0.00 H new ATOM 55 N GLN A 5 -6.207 -0.569 -18.102 1.00 0.00 N ATOM 56 CA GLN A 5 -5.243 -1.661 -18.152 1.00 0.00 C ATOM 57 C GLN A 5 -5.408 -2.589 -16.955 1.00 0.00 C ATOM 58 O GLN A 5 -6.485 -2.674 -16.365 1.00 0.00 O ATOM 59 CB GLN A 5 -3.817 -1.107 -18.183 1.00 0.00 C ATOM 60 CG GLN A 5 -3.721 0.322 -18.694 1.00 0.00 C ATOM 61 CD GLN A 5 -3.015 0.414 -20.031 1.00 0.00 C ATOM 62 OE1 GLN A 5 -3.197 -0.604 -20.866 1.00 0.00 O flip ATOM 63 NE2 GLN A 5 -2.313 1.385 -20.311 1.00 0.00 N flip ATOM 0 H GLN A 5 -6.338 -0.163 -17.176 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.428 -2.232 -19.062 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.399 -1.152 -17.177 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.202 -1.750 -18.813 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.724 0.739 -18.787 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.189 0.931 -17.963 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.201 2.144 -19.639 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.843 1.431 -21.215 1.00 0.00 H new ATOM 72 N ASP A 6 -4.331 -3.282 -16.601 1.00 0.00 N ATOM 73 CA ASP A 6 -4.355 -4.203 -15.472 1.00 0.00 C ATOM 74 C ASP A 6 -4.817 -3.491 -14.206 1.00 0.00 C ATOM 75 O ASP A 6 -5.276 -2.349 -14.255 1.00 0.00 O ATOM 76 CB ASP A 6 -2.970 -4.815 -15.250 1.00 0.00 C ATOM 77 CG ASP A 6 -2.314 -5.251 -16.546 1.00 0.00 C ATOM 78 OD1 ASP A 6 -2.552 -4.595 -17.582 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.564 -6.249 -16.524 1.00 0.00 O ATOM 0 H ASP A 6 -3.432 -3.223 -17.079 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.061 -5.001 -15.701 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.331 -4.088 -14.750 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.058 -5.673 -14.584 1.00 0.00 H new ATOM 84 N CYS A 7 -4.692 -4.172 -13.074 1.00 0.00 N ATOM 85 CA CYS A 7 -5.095 -3.604 -11.794 1.00 0.00 C ATOM 86 C CYS A 7 -4.817 -4.580 -10.655 1.00 0.00 C ATOM 87 O CYS A 7 -5.730 -5.220 -10.135 1.00 0.00 O ATOM 88 CB CYS A 7 -6.582 -3.246 -11.821 1.00 0.00 C ATOM 89 SG CYS A 7 -7.273 -2.830 -10.189 1.00 0.00 S ATOM 0 H CYS A 7 -4.315 -5.118 -13.016 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.511 -2.699 -11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.730 -2.400 -12.493 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.140 -4.085 -12.237 1.00 0.00 H new ATOM 94 N PRO A 8 -3.543 -4.703 -10.253 1.00 0.00 N ATOM 95 CA PRO A 8 -3.139 -5.605 -9.170 1.00 0.00 C ATOM 96 C PRO A 8 -3.526 -5.073 -7.793 1.00 0.00 C ATOM 97 O PRO A 8 -3.747 -3.874 -7.621 1.00 0.00 O ATOM 98 CB PRO A 8 -1.618 -5.658 -9.313 1.00 0.00 C ATOM 99 CG PRO A 8 -1.253 -4.348 -9.918 1.00 0.00 C ATOM 100 CD PRO A 8 -2.397 -3.973 -10.824 1.00 0.00 C ATOM 0 HA PRO A 8 -3.626 -6.577 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.133 -5.797 -8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.308 -6.488 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.102 -3.592 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.321 -4.424 -10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.569 -2.897 -10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.206 -4.270 -11.855 1.00 0.00 H new ATOM 108 N GLU A 9 -3.607 -5.973 -6.816 1.00 0.00 N ATOM 109 CA GLU A 9 -3.966 -5.593 -5.456 1.00 0.00 C ATOM 110 C GLU A 9 -3.132 -4.411 -4.985 1.00 0.00 C ATOM 111 O GLU A 9 -1.902 -4.457 -5.002 1.00 0.00 O ATOM 112 CB GLU A 9 -3.772 -6.773 -4.503 1.00 0.00 C ATOM 113 CG GLU A 9 -4.552 -6.638 -3.206 1.00 0.00 C ATOM 114 CD GLU A 9 -5.743 -7.574 -3.142 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.679 -7.400 -3.951 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.740 -8.482 -2.285 1.00 0.00 O ATOM 0 H GLU A 9 -3.429 -6.969 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.016 -5.302 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.076 -7.691 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.712 -6.873 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.889 -6.841 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.897 -5.609 -3.099 1.00 0.00 H new ATOM 123 N CYS A 10 -3.810 -3.351 -4.565 1.00 0.00 N ATOM 124 CA CYS A 10 -3.132 -2.155 -4.091 1.00 0.00 C ATOM 125 C CYS A 10 -2.226 -2.472 -2.906 1.00 0.00 C ATOM 126 O CYS A 10 -2.664 -3.050 -1.912 1.00 0.00 O ATOM 127 CB CYS A 10 -4.153 -1.084 -3.702 1.00 0.00 C ATOM 128 SG CYS A 10 -3.590 0.056 -2.396 1.00 0.00 S ATOM 0 H CYS A 10 -4.828 -3.296 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.511 -1.775 -4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.408 -0.504 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.067 -1.575 -3.369 1.00 0.00 H new ATOM 133 N THR A 11 -0.964 -2.081 -3.022 1.00 0.00 N ATOM 134 CA THR A 11 0.013 -2.307 -1.967 1.00 0.00 C ATOM 135 C THR A 11 1.379 -1.839 -2.415 1.00 0.00 C ATOM 136 O THR A 11 1.526 -1.265 -3.491 1.00 0.00 O ATOM 137 CB THR A 11 0.075 -3.781 -1.572 1.00 0.00 C ATOM 138 OG1 THR A 11 1.027 -3.981 -0.542 1.00 0.00 O ATOM 139 CG2 THR A 11 0.447 -4.693 -2.718 1.00 0.00 C ATOM 0 H THR A 11 -0.592 -1.603 -3.842 1.00 0.00 H new ATOM 0 HA THR A 11 -0.299 -1.734 -1.094 1.00 0.00 H new ATOM 0 HB THR A 11 -0.932 -4.034 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.053 -4.930 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.473 -5.725 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.292 -4.598 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.429 -4.415 -3.100 1.00 0.00 H new ATOM 147 N LEU A 12 2.373 -2.083 -1.584 1.00 0.00 N ATOM 148 CA LEU A 12 3.729 -1.675 -1.894 1.00 0.00 C ATOM 149 C LEU A 12 4.393 -2.637 -2.853 1.00 0.00 C ATOM 150 O LEU A 12 4.285 -3.855 -2.713 1.00 0.00 O ATOM 151 CB LEU A 12 4.548 -1.566 -0.622 1.00 0.00 C ATOM 152 CG LEU A 12 4.128 -0.430 0.293 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.649 -0.544 0.619 1.00 0.00 C ATOM 154 CD2 LEU A 12 4.963 -0.449 1.561 1.00 0.00 C ATOM 0 H LEU A 12 2.267 -2.561 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 12 3.679 -0.699 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.474 -2.505 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.597 -1.434 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 12 4.295 0.520 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.357 0.275 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.069 -0.495 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.459 -1.494 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.655 0.369 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.818 -1.398 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.016 -0.332 1.305 1.00 0.00 H new ATOM 166 N GLN A 13 5.087 -2.076 -3.825 1.00 0.00 N ATOM 167 CA GLN A 13 5.783 -2.881 -4.814 1.00 0.00 C ATOM 168 C GLN A 13 7.277 -2.689 -4.721 1.00 0.00 C ATOM 169 O GLN A 13 7.927 -2.242 -5.664 1.00 0.00 O ATOM 170 CB GLN A 13 5.323 -2.544 -6.208 1.00 0.00 C ATOM 171 CG GLN A 13 4.072 -3.291 -6.629 1.00 0.00 C ATOM 172 CD GLN A 13 3.783 -3.169 -8.113 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.460 -2.433 -8.830 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.772 -3.892 -8.580 1.00 0.00 N ATOM 0 H GLN A 13 5.185 -1.069 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 13 5.546 -3.924 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.135 -1.472 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.125 -2.769 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.180 -4.344 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.220 -2.910 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.238 -4.489 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.530 -3.850 -9.570 1.00 0.00 H new ATOM 183 N GLU A 14 7.789 -3.028 -3.563 1.00 0.00 N ATOM 184 CA GLU A 14 9.212 -2.913 -3.254 1.00 0.00 C ATOM 185 C GLU A 14 9.987 -2.299 -4.400 1.00 0.00 C ATOM 186 O GLU A 14 10.007 -2.805 -5.522 1.00 0.00 O ATOM 187 CB GLU A 14 9.817 -4.261 -2.900 1.00 0.00 C ATOM 188 CG GLU A 14 11.199 -4.160 -2.268 1.00 0.00 C ATOM 189 CD GLU A 14 11.933 -5.488 -2.275 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.179 -6.023 -3.376 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.256 -5.997 -1.181 1.00 0.00 O ATOM 0 H GLU A 14 7.231 -3.397 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 14 9.287 -2.254 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.149 -4.781 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.882 -4.869 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.789 -3.418 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.102 -3.806 -1.242 1.00 0.00 H new ATOM 198 N ASN A 15 10.620 -1.202 -4.082 1.00 0.00 N ATOM 199 CA ASN A 15 11.417 -0.448 -5.030 1.00 0.00 C ATOM 200 C ASN A 15 12.431 -1.325 -5.753 1.00 0.00 C ATOM 201 O ASN A 15 13.382 -1.819 -5.146 1.00 0.00 O ATOM 202 CB ASN A 15 12.133 0.666 -4.294 1.00 0.00 C ATOM 203 CG ASN A 15 11.974 2.003 -4.972 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.589 3.019 -4.393 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 11.308 2.122 -6.000 1.00 0.00 N flip ATOM 0 H ASN A 15 10.601 -0.796 -3.146 1.00 0.00 H new ATOM 0 HA ASN A 15 10.748 -0.038 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.748 0.731 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.193 0.424 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.852 1.307 -6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.212 3.036 -6.443 1.00 0.00 H new ATOM 212 N PRO A 16 12.255 -1.516 -7.072 1.00 0.00 N ATOM 213 CA PRO A 16 13.174 -2.318 -7.877 1.00 0.00 C ATOM 214 C PRO A 16 14.426 -1.532 -8.250 1.00 0.00 C ATOM 215 O PRO A 16 15.152 -1.891 -9.178 1.00 0.00 O ATOM 216 CB PRO A 16 12.349 -2.644 -9.118 1.00 0.00 C ATOM 217 CG PRO A 16 11.422 -1.485 -9.271 1.00 0.00 C ATOM 218 CD PRO A 16 11.158 -0.954 -7.882 1.00 0.00 C ATOM 0 HA PRO A 16 13.536 -3.201 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.984 -2.762 -9.996 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.799 -3.577 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.866 -0.715 -9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.493 -1.793 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.165 0.136 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.184 -1.273 -7.511 1.00 0.00 H new ATOM 226 N PHE A 17 14.664 -0.452 -7.514 1.00 0.00 N ATOM 227 CA PHE A 17 15.816 0.408 -7.742 1.00 0.00 C ATOM 228 C PHE A 17 16.630 0.556 -6.467 1.00 0.00 C ATOM 229 O PHE A 17 17.830 0.287 -6.439 1.00 0.00 O ATOM 230 CB PHE A 17 15.351 1.787 -8.203 1.00 0.00 C ATOM 231 CG PHE A 17 16.451 2.808 -8.243 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.861 3.448 -7.084 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.072 3.130 -9.438 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.872 4.390 -7.117 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.084 4.071 -9.478 1.00 0.00 C ATOM 236 CZ PHE A 17 18.484 4.701 -8.315 1.00 0.00 C ATOM 0 H PHE A 17 14.065 -0.150 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 17 16.439 -0.047 -8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.911 1.700 -9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.564 2.138 -7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.385 3.208 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.762 2.640 -10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.183 4.882 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.561 4.313 -10.416 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.275 5.436 -8.343 1.00 0.00 H new ATOM 246 N PHE A 18 15.954 0.992 -5.413 1.00 0.00 N ATOM 247 CA PHE A 18 16.588 1.193 -4.119 1.00 0.00 C ATOM 248 C PHE A 18 16.894 -0.143 -3.452 1.00 0.00 C ATOM 249 O PHE A 18 17.677 -0.210 -2.506 1.00 0.00 O ATOM 250 CB PHE A 18 15.672 2.016 -3.217 1.00 0.00 C ATOM 251 CG PHE A 18 16.341 3.213 -2.603 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.666 4.313 -3.378 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.651 3.234 -1.253 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.288 5.413 -2.819 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.270 4.332 -0.687 1.00 0.00 C ATOM 256 CZ PHE A 18 17.592 5.423 -1.472 1.00 0.00 C ATOM 0 H PHE A 18 14.959 1.215 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 18 17.525 1.727 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.811 2.350 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.291 1.376 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.431 4.311 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.406 2.382 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.536 6.264 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.502 4.338 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.080 6.281 -1.033 1.00 0.00 H new ATOM 266 N SER A 19 16.267 -1.203 -3.949 1.00 0.00 N ATOM 267 CA SER A 19 16.473 -2.534 -3.395 1.00 0.00 C ATOM 268 C SER A 19 17.963 -2.833 -3.254 1.00 0.00 C ATOM 269 O SER A 19 18.584 -3.391 -4.159 1.00 0.00 O ATOM 270 CB SER A 19 15.807 -3.587 -4.283 1.00 0.00 C ATOM 271 OG SER A 19 16.692 -4.043 -5.291 1.00 0.00 O ATOM 0 H SER A 19 15.614 -1.166 -4.732 1.00 0.00 H new ATOM 0 HA SER A 19 16.018 -2.568 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.483 -4.429 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.914 -3.165 -4.744 1.00 0.00 H new ATOM 0 HG SER A 19 17.485 -3.468 -5.314 1.00 0.00 H new ATOM 277 N GLN A 20 18.534 -2.456 -2.115 1.00 0.00 N ATOM 278 CA GLN A 20 19.953 -2.682 -1.862 1.00 0.00 C ATOM 279 C GLN A 20 20.155 -3.684 -0.732 1.00 0.00 C ATOM 280 O GLN A 20 19.253 -3.918 0.071 1.00 0.00 O ATOM 281 CB GLN A 20 20.651 -1.363 -1.518 1.00 0.00 C ATOM 282 CG GLN A 20 20.230 -0.201 -2.401 1.00 0.00 C ATOM 283 CD GLN A 20 21.403 0.655 -2.841 1.00 0.00 C ATOM 284 OE1 GLN A 20 22.393 0.148 -3.368 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.294 1.961 -2.626 1.00 0.00 N ATOM 0 H GLN A 20 18.037 -1.993 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 20 20.393 -3.093 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.442 -1.112 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.729 -1.500 -1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.716 -0.587 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.515 0.420 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.454 2.337 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.050 2.588 -2.901 1.00 0.00 H new ATOM 294 N PRO A 21 21.350 -4.289 -0.661 1.00 0.00 N ATOM 295 CA PRO A 21 21.681 -5.273 0.375 1.00 0.00 C ATOM 296 C PRO A 21 21.463 -4.724 1.782 1.00 0.00 C ATOM 297 O PRO A 21 22.416 -4.526 2.536 1.00 0.00 O ATOM 298 CB PRO A 21 23.168 -5.557 0.138 1.00 0.00 C ATOM 299 CG PRO A 21 23.404 -5.199 -1.288 1.00 0.00 C ATOM 300 CD PRO A 21 22.472 -4.060 -1.588 1.00 0.00 C ATOM 0 HA PRO A 21 21.050 -6.159 0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.795 -4.963 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.405 -6.604 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.442 -4.907 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.205 -6.048 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.947 -3.095 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.144 -4.071 -2.627 1.00 0.00 H new ATOM 308 N GLY A 22 20.204 -4.477 2.128 1.00 0.00 N ATOM 309 CA GLY A 22 19.884 -3.953 3.441 1.00 0.00 C ATOM 310 C GLY A 22 18.720 -2.985 3.419 1.00 0.00 C ATOM 311 O GLY A 22 18.265 -2.529 4.469 1.00 0.00 O ATOM 0 H GLY A 22 19.399 -4.631 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.650 -4.781 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.761 -3.451 3.850 1.00 0.00 H new ATOM 315 N ALA A 23 18.234 -2.664 2.224 1.00 0.00 N ATOM 316 CA ALA A 23 17.117 -1.741 2.089 1.00 0.00 C ATOM 317 C ALA A 23 16.328 -1.992 0.820 1.00 0.00 C ATOM 318 O ALA A 23 16.757 -1.674 -0.288 1.00 0.00 O ATOM 319 CB ALA A 23 17.608 -0.305 2.149 1.00 0.00 C ATOM 0 H ALA A 23 18.594 -3.028 1.342 1.00 0.00 H new ATOM 0 HA ALA A 23 16.440 -1.914 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.761 0.374 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.101 -0.129 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.315 -0.128 1.338 1.00 0.00 H new ATOM 325 N PRO A 24 15.155 -2.591 1.002 1.00 0.00 N ATOM 326 CA PRO A 24 14.236 -2.945 -0.053 1.00 0.00 C ATOM 327 C PRO A 24 13.063 -1.987 -0.148 1.00 0.00 C ATOM 328 O PRO A 24 11.925 -2.347 0.148 1.00 0.00 O ATOM 329 CB PRO A 24 13.775 -4.311 0.433 1.00 0.00 C ATOM 330 CG PRO A 24 13.797 -4.217 1.934 1.00 0.00 C ATOM 331 CD PRO A 24 14.619 -3.009 2.293 1.00 0.00 C ATOM 0 HA PRO A 24 14.679 -2.924 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.775 -4.544 0.067 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.437 -5.101 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.785 -4.125 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.228 -5.119 2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.012 -2.228 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.411 -3.254 3.000 1.00 0.00 H new ATOM 339 N ILE A 25 13.363 -0.768 -0.555 1.00 0.00 N ATOM 340 CA ILE A 25 12.386 0.280 -0.700 1.00 0.00 C ATOM 341 C ILE A 25 11.067 -0.196 -1.282 1.00 0.00 C ATOM 342 O ILE A 25 10.825 -1.395 -1.404 1.00 0.00 O ATOM 343 CB ILE A 25 12.995 1.384 -1.540 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.140 1.959 -0.753 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.978 2.465 -1.836 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.706 2.322 0.638 1.00 0.00 C ATOM 0 H ILE A 25 14.311 -0.479 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 25 12.135 0.651 0.294 1.00 0.00 H new ATOM 0 HB ILE A 25 13.334 0.985 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.954 1.236 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.527 2.843 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.441 3.245 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.138 2.035 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.621 2.895 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.552 2.736 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.908 3.063 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.342 1.431 1.150 1.00 0.00 H new ATOM 358 N LEU A 26 10.173 0.752 -1.550 1.00 0.00 N ATOM 359 CA LEU A 26 8.844 0.417 -2.002 1.00 0.00 C ATOM 360 C LEU A 26 8.176 1.481 -2.832 1.00 0.00 C ATOM 361 O LEU A 26 8.805 2.360 -3.415 1.00 0.00 O ATOM 362 CB LEU A 26 8.036 0.209 -0.752 1.00 0.00 C ATOM 363 CG LEU A 26 8.912 0.196 0.483 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.162 0.712 1.692 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.457 -1.197 0.745 1.00 0.00 C ATOM 0 H LEU A 26 10.353 1.752 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 26 8.910 -0.457 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.292 1.001 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.492 -0.733 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 26 9.754 0.864 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.817 0.691 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.836 1.736 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.292 0.082 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.083 -1.181 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.629 -1.889 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.051 -1.522 -0.109 1.00 0.00 H new ATOM 377 N GLN A 27 6.867 1.356 -2.858 1.00 0.00 N ATOM 378 CA GLN A 27 6.001 2.267 -3.592 1.00 0.00 C ATOM 379 C GLN A 27 4.645 1.613 -3.842 1.00 0.00 C ATOM 380 O GLN A 27 4.499 0.767 -4.724 1.00 0.00 O ATOM 381 CB GLN A 27 6.670 2.681 -4.901 1.00 0.00 C ATOM 382 CG GLN A 27 5.699 3.017 -6.024 1.00 0.00 C ATOM 383 CD GLN A 27 6.248 2.660 -7.391 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.915 3.469 -8.035 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.970 1.441 -7.840 1.00 0.00 N ATOM 0 H GLN A 27 6.365 0.615 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 27 5.835 3.166 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.303 3.548 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.324 1.874 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.762 2.484 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.469 4.082 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.413 0.803 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.314 1.143 -8.753 1.00 0.00 H new ATOM 394 N CYS A 28 3.665 2.005 -3.037 1.00 0.00 N ATOM 395 CA CYS A 28 2.316 1.459 -3.133 1.00 0.00 C ATOM 396 C CYS A 28 1.834 1.438 -4.578 1.00 0.00 C ATOM 397 O CYS A 28 1.457 2.471 -5.130 1.00 0.00 O ATOM 398 CB CYS A 28 1.336 2.266 -2.273 1.00 0.00 C ATOM 399 SG CYS A 28 0.311 1.243 -1.159 1.00 0.00 S ATOM 0 H CYS A 28 3.781 2.705 -2.304 1.00 0.00 H new ATOM 0 HA CYS A 28 2.351 0.435 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.898 2.984 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.681 2.840 -2.928 1.00 0.00 H new ATOM 404 N MET A 29 1.841 0.257 -5.185 1.00 0.00 N ATOM 405 CA MET A 29 1.397 0.110 -6.565 1.00 0.00 C ATOM 406 C MET A 29 0.221 -0.856 -6.659 1.00 0.00 C ATOM 407 O MET A 29 0.187 -1.876 -5.971 1.00 0.00 O ATOM 408 CB MET A 29 2.547 -0.383 -7.443 1.00 0.00 C ATOM 409 CG MET A 29 2.157 -0.591 -8.897 1.00 0.00 C ATOM 410 SD MET A 29 2.772 0.718 -9.972 1.00 0.00 S ATOM 411 CE MET A 29 1.309 1.071 -10.945 1.00 0.00 C ATOM 0 H MET A 29 2.148 -0.610 -4.744 1.00 0.00 H new ATOM 0 HA MET A 29 1.070 1.087 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.364 0.336 -7.394 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.925 -1.322 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.545 -1.550 -9.240 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.071 -0.640 -8.975 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.530 1.864 -11.660 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.004 0.173 -11.482 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.502 1.391 -10.286 1.00 0.00 H new ATOM 421 N GLY A 30 -0.741 -0.530 -7.517 1.00 0.00 N ATOM 422 CA GLY A 30 -1.902 -1.383 -7.684 1.00 0.00 C ATOM 423 C GLY A 30 -3.203 -0.605 -7.696 1.00 0.00 C ATOM 424 O GLY A 30 -3.307 0.436 -8.343 1.00 0.00 O ATOM 0 H GLY A 30 -0.737 0.308 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.808 -1.940 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.929 -2.115 -6.877 1.00 0.00 H new ATOM 428 N CYS A 31 -4.199 -1.118 -6.980 1.00 0.00 N ATOM 429 CA CYS A 31 -5.506 -0.473 -6.910 1.00 0.00 C ATOM 430 C CYS A 31 -6.272 -0.929 -5.674 1.00 0.00 C ATOM 431 O CYS A 31 -6.291 -2.117 -5.346 1.00 0.00 O ATOM 432 CB CYS A 31 -6.318 -0.784 -8.166 1.00 0.00 C ATOM 433 SG CYS A 31 -5.662 -2.170 -9.147 1.00 0.00 S ATOM 0 H CYS A 31 -4.126 -1.980 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.348 0.603 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.344 -1.011 -7.876 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.354 0.107 -8.793 1.00 0.00 H new ATOM 438 N CYS A 32 -6.898 0.021 -4.990 1.00 0.00 N ATOM 439 CA CYS A 32 -7.663 -0.283 -3.786 1.00 0.00 C ATOM 440 C CYS A 32 -8.975 -0.981 -4.124 1.00 0.00 C ATOM 441 O CYS A 32 -10.049 -0.386 -4.034 1.00 0.00 O ATOM 442 CB CYS A 32 -7.946 0.997 -3.002 1.00 0.00 C ATOM 443 SG CYS A 32 -8.850 0.723 -1.445 1.00 0.00 S ATOM 0 H CYS A 32 -6.891 1.008 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.065 -0.958 -3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.001 1.492 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.522 1.677 -3.630 1.00 0.00 H new ATOM 448 N PHE A 33 -8.883 -2.248 -4.505 1.00 0.00 N ATOM 449 CA PHE A 33 -10.063 -3.029 -4.847 1.00 0.00 C ATOM 450 C PHE A 33 -10.170 -4.260 -3.953 1.00 0.00 C ATOM 451 O PHE A 33 -9.391 -4.426 -3.015 1.00 0.00 O ATOM 452 CB PHE A 33 -10.015 -3.449 -6.317 1.00 0.00 C ATOM 453 CG PHE A 33 -9.073 -4.588 -6.582 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.728 -4.350 -6.815 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.531 -5.895 -6.597 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.858 -5.393 -7.057 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.665 -6.944 -6.839 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.326 -6.694 -7.069 1.00 0.00 C ATOM 0 H PHE A 33 -8.003 -2.757 -4.585 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.944 -2.407 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.017 -3.734 -6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.717 -2.593 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.356 -3.336 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.577 -6.096 -6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.812 -5.193 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.035 -7.959 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.647 -7.512 -7.258 1.00 0.00 H new ATOM 468 N SER A 34 -11.137 -5.121 -4.249 1.00 0.00 N ATOM 469 CA SER A 34 -11.340 -6.337 -3.469 1.00 0.00 C ATOM 470 C SER A 34 -12.409 -7.219 -4.105 1.00 0.00 C ATOM 471 O SER A 34 -13.341 -6.721 -4.738 1.00 0.00 O ATOM 472 CB SER A 34 -11.737 -5.985 -2.033 1.00 0.00 C ATOM 473 OG SER A 34 -13.054 -6.423 -1.744 1.00 0.00 O ATOM 0 H SER A 34 -11.792 -5.000 -5.022 1.00 0.00 H new ATOM 0 HA SER A 34 -10.402 -6.891 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.037 -6.445 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.669 -4.907 -1.888 1.00 0.00 H new ATOM 0 HG SER A 34 -13.282 -6.187 -0.821 1.00 0.00 H new ATOM 479 N ARG A 35 -12.270 -8.529 -3.936 1.00 0.00 N ATOM 480 CA ARG A 35 -13.228 -9.474 -4.496 1.00 0.00 C ATOM 481 C ARG A 35 -14.652 -8.960 -4.333 1.00 0.00 C ATOM 482 O ARG A 35 -15.047 -8.530 -3.249 1.00 0.00 O ATOM 483 CB ARG A 35 -13.086 -10.839 -3.825 1.00 0.00 C ATOM 484 CG ARG A 35 -11.965 -11.683 -4.404 1.00 0.00 C ATOM 485 CD ARG A 35 -12.411 -12.424 -5.655 1.00 0.00 C ATOM 486 NE ARG A 35 -11.907 -13.794 -5.686 1.00 0.00 N ATOM 487 CZ ARG A 35 -12.562 -14.833 -5.177 1.00 0.00 C ATOM 488 NH1 ARG A 35 -13.739 -14.656 -4.593 1.00 0.00 N ATOM 489 NH2 ARG A 35 -12.039 -16.050 -5.247 1.00 0.00 N ATOM 0 H ARG A 35 -11.505 -8.960 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.016 -9.580 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.909 -10.695 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.026 -11.382 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.114 -11.045 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.626 -12.401 -3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.500 -12.437 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.062 -11.889 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.001 -13.964 -6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.143 -13.722 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.240 -15.454 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.132 -16.191 -5.692 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.544 -16.845 -4.856 1.00 0.00 H new ATOM 503 N ALA A 36 -15.419 -9.007 -5.415 1.00 0.00 N ATOM 504 CA ALA A 36 -16.801 -8.543 -5.389 1.00 0.00 C ATOM 505 C ALA A 36 -17.700 -9.535 -4.657 1.00 0.00 C ATOM 506 O ALA A 36 -17.859 -10.677 -5.087 1.00 0.00 O ATOM 507 CB ALA A 36 -17.309 -8.310 -6.803 1.00 0.00 C ATOM 0 H ALA A 36 -15.109 -9.361 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.829 -7.598 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.342 -7.964 -6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.691 -7.557 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.258 -9.242 -7.366 1.00 0.00 H new ATOM 513 N TYR A 37 -18.287 -9.090 -3.550 1.00 0.00 N ATOM 514 CA TYR A 37 -19.170 -9.940 -2.757 1.00 0.00 C ATOM 515 C TYR A 37 -19.347 -9.373 -1.352 1.00 0.00 C ATOM 516 O TYR A 37 -18.373 -9.163 -0.629 1.00 0.00 O ATOM 517 CB TYR A 37 -18.609 -11.362 -2.680 1.00 0.00 C ATOM 518 CG TYR A 37 -19.054 -12.129 -1.455 1.00 0.00 C ATOM 519 CD1 TYR A 37 -20.303 -12.733 -1.407 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.224 -12.249 -0.347 1.00 0.00 C ATOM 521 CE1 TYR A 37 -20.715 -13.436 -0.290 1.00 0.00 C ATOM 522 CE2 TYR A 37 -18.628 -12.950 0.775 1.00 0.00 C ATOM 523 CZ TYR A 37 -19.874 -13.541 0.797 1.00 0.00 C ATOM 524 OH TYR A 37 -20.280 -14.240 1.911 1.00 0.00 O ATOM 0 H TYR A 37 -18.168 -8.146 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 37 -20.144 -9.968 -3.245 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.913 -11.911 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.520 -11.314 -2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -20.964 -12.652 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.248 -11.787 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -21.690 -13.900 -0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.972 -13.034 1.629 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.570 -14.219 2.587 1.00 0.00 H new ATOM 534 N PRO A 38 -20.602 -9.120 -0.946 1.00 0.00 N ATOM 535 CA PRO A 38 -20.913 -8.577 0.380 1.00 0.00 C ATOM 536 C PRO A 38 -20.293 -9.406 1.499 1.00 0.00 C ATOM 537 O PRO A 38 -19.766 -10.492 1.259 1.00 0.00 O ATOM 538 CB PRO A 38 -22.445 -8.635 0.455 1.00 0.00 C ATOM 539 CG PRO A 38 -22.870 -9.503 -0.685 1.00 0.00 C ATOM 540 CD PRO A 38 -21.815 -9.345 -1.740 1.00 0.00 C ATOM 0 HA PRO A 38 -20.512 -7.571 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -22.776 -9.049 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -22.880 -7.639 0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -22.956 -10.544 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -23.847 -9.201 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -21.731 -10.233 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -22.027 -8.506 -2.403 1.00 0.00 H new ATOM 548 N THR A 39 -20.358 -8.887 2.723 1.00 0.00 N ATOM 549 CA THR A 39 -19.798 -9.580 3.878 1.00 0.00 C ATOM 550 C THR A 39 -18.550 -10.357 3.481 1.00 0.00 C ATOM 551 O THR A 39 -18.523 -11.586 3.535 1.00 0.00 O ATOM 552 CB THR A 39 -20.833 -10.524 4.492 1.00 0.00 C ATOM 553 OG1 THR A 39 -21.234 -11.512 3.558 1.00 0.00 O ATOM 554 CG2 THR A 39 -22.079 -9.814 4.975 1.00 0.00 C ATOM 0 H THR A 39 -20.793 -7.990 2.939 1.00 0.00 H new ATOM 0 HA THR A 39 -19.522 -8.834 4.623 1.00 0.00 H new ATOM 0 HB THR A 39 -20.335 -10.975 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.456 -12.044 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.771 -10.542 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.809 -9.083 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 -22.556 -9.305 4.137 1.00 0.00 H new ATOM 562 N PRO A 40 -17.497 -9.637 3.066 1.00 0.00 N ATOM 563 CA PRO A 40 -16.234 -10.247 2.643 1.00 0.00 C ATOM 564 C PRO A 40 -15.442 -10.826 3.808 1.00 0.00 C ATOM 565 O PRO A 40 -15.807 -10.655 4.971 1.00 0.00 O ATOM 566 CB PRO A 40 -15.473 -9.079 2.014 1.00 0.00 C ATOM 567 CG PRO A 40 -16.014 -7.872 2.697 1.00 0.00 C ATOM 568 CD PRO A 40 -17.462 -8.166 2.969 1.00 0.00 C ATOM 0 HA PRO A 40 -16.397 -11.087 1.968 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.398 -9.175 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.636 -9.033 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.475 -7.673 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.906 -6.987 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.802 -7.694 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.104 -7.800 2.168 1.00 0.00 H new ATOM 576 N LEU A 41 -14.353 -11.511 3.482 1.00 0.00 N ATOM 577 CA LEU A 41 -13.500 -12.117 4.493 1.00 0.00 C ATOM 578 C LEU A 41 -12.904 -11.055 5.410 1.00 0.00 C ATOM 579 O LEU A 41 -12.211 -10.144 4.954 1.00 0.00 O ATOM 580 CB LEU A 41 -12.386 -12.924 3.824 1.00 0.00 C ATOM 581 CG LEU A 41 -12.729 -14.388 3.548 1.00 0.00 C ATOM 582 CD1 LEU A 41 -13.100 -15.098 4.840 1.00 0.00 C ATOM 583 CD2 LEU A 41 -13.863 -14.488 2.538 1.00 0.00 C ATOM 0 H LEU A 41 -14.040 -11.660 2.523 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.109 -12.787 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.125 -12.443 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.500 -12.887 4.457 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.850 -14.876 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.342 -16.139 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.260 -15.055 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.965 -14.609 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.094 -15.537 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.746 -13.986 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.562 -14.013 1.604 1.00 0.00 H new ATOM 595 N ARG A 42 -13.181 -11.176 6.704 1.00 0.00 N ATOM 596 CA ARG A 42 -12.676 -10.224 7.686 1.00 0.00 C ATOM 597 C ARG A 42 -12.498 -10.887 9.048 1.00 0.00 C ATOM 598 O ARG A 42 -13.266 -10.639 9.978 1.00 0.00 O ATOM 599 CB ARG A 42 -13.626 -9.031 7.804 1.00 0.00 C ATOM 600 CG ARG A 42 -13.376 -7.948 6.766 1.00 0.00 C ATOM 601 CD ARG A 42 -12.551 -6.806 7.338 1.00 0.00 C ATOM 602 NE ARG A 42 -13.193 -5.511 7.126 1.00 0.00 N ATOM 603 CZ ARG A 42 -12.524 -4.375 6.967 1.00 0.00 C ATOM 604 NH1 ARG A 42 -11.198 -4.373 7.010 1.00 0.00 N ATOM 605 NH2 ARG A 42 -13.177 -3.238 6.769 1.00 0.00 N ATOM 0 H ARG A 42 -13.752 -11.924 7.097 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.702 -9.872 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.653 -9.384 7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.530 -8.598 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.859 -8.378 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.329 -7.563 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.400 -6.966 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.565 -6.803 6.874 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.212 -5.478 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.691 -5.245 7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.685 -3.500 6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.197 -3.234 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.660 -2.367 6.647 1.00 0.00 H new ATOM 619 N SER A 43 -11.478 -11.732 9.158 1.00 0.00 N ATOM 620 CA SER A 43 -11.192 -12.435 10.404 1.00 0.00 C ATOM 621 C SER A 43 -9.799 -13.057 10.363 1.00 0.00 C ATOM 622 O SER A 43 -8.805 -12.396 10.665 1.00 0.00 O ATOM 623 CB SER A 43 -12.245 -13.515 10.659 1.00 0.00 C ATOM 624 OG SER A 43 -11.919 -14.287 11.803 1.00 0.00 O ATOM 0 H SER A 43 -10.834 -11.947 8.397 1.00 0.00 H new ATOM 0 HA SER A 43 -11.224 -11.713 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.221 -13.050 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.322 -14.165 9.788 1.00 0.00 H new ATOM 0 HG SER A 43 -12.609 -14.969 11.945 1.00 0.00 H new ATOM 630 N LYS A 44 -9.730 -14.329 9.980 1.00 0.00 N ATOM 631 CA LYS A 44 -8.453 -15.026 9.890 1.00 0.00 C ATOM 632 C LYS A 44 -7.495 -14.253 8.989 1.00 0.00 C ATOM 633 O LYS A 44 -7.637 -14.258 7.766 1.00 0.00 O ATOM 634 CB LYS A 44 -8.665 -16.448 9.358 1.00 0.00 C ATOM 635 CG LYS A 44 -7.631 -16.891 8.333 1.00 0.00 C ATOM 636 CD LYS A 44 -6.214 -16.740 8.864 1.00 0.00 C ATOM 637 CE LYS A 44 -5.303 -16.077 7.843 1.00 0.00 C ATOM 638 NZ LYS A 44 -4.739 -17.060 6.877 1.00 0.00 N ATOM 0 H LYS A 44 -10.540 -14.895 9.728 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.014 -15.091 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.650 -17.144 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.656 -16.512 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.809 -17.932 8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.744 -16.301 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.229 -16.148 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.816 -17.721 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.861 -15.315 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.489 -15.568 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.124 -16.567 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.184 -17.774 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.514 -17.527 6.365 1.00 0.00 H new ATOM 652 N LYS A 45 -6.527 -13.580 9.600 1.00 0.00 N ATOM 653 CA LYS A 45 -5.557 -12.792 8.846 1.00 0.00 C ATOM 654 C LYS A 45 -4.550 -12.120 9.776 1.00 0.00 C ATOM 655 O LYS A 45 -3.401 -11.892 9.399 1.00 0.00 O ATOM 656 CB LYS A 45 -6.286 -11.737 8.013 1.00 0.00 C ATOM 657 CG LYS A 45 -5.357 -10.738 7.339 1.00 0.00 C ATOM 658 CD LYS A 45 -6.132 -9.569 6.748 1.00 0.00 C ATOM 659 CE LYS A 45 -7.284 -9.147 7.647 1.00 0.00 C ATOM 660 NZ LYS A 45 -7.602 -7.698 7.508 1.00 0.00 N ATOM 0 H LYS A 45 -6.392 -13.563 10.611 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.009 -13.463 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.881 -12.238 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.981 -11.197 8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.632 -10.367 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.793 -11.238 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.459 -8.725 6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.518 -9.847 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.168 -9.737 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.032 -9.364 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.393 -7.454 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.767 -7.133 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.868 -7.494 6.524 1.00 0.00 H new ATOM 674 N THR A 46 -4.989 -11.805 10.991 1.00 0.00 N ATOM 675 CA THR A 46 -4.126 -11.159 11.974 1.00 0.00 C ATOM 676 C THR A 46 -4.912 -10.803 13.231 1.00 0.00 C ATOM 677 O THR A 46 -4.389 -10.870 14.344 1.00 0.00 O ATOM 678 CB THR A 46 -3.489 -9.899 11.384 1.00 0.00 C ATOM 679 OG1 THR A 46 -3.372 -8.888 12.369 1.00 0.00 O ATOM 680 CG2 THR A 46 -4.267 -9.318 10.224 1.00 0.00 C ATOM 0 H THR A 46 -5.938 -11.987 11.318 1.00 0.00 H new ATOM 0 HA THR A 46 -3.336 -11.861 12.243 1.00 0.00 H new ATOM 0 HB THR A 46 -2.511 -10.216 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.961 -8.091 11.973 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.759 -8.427 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.333 -10.056 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.271 -9.052 10.556 1.00 0.00 H new ATOM 688 N MET A 47 -6.172 -10.424 13.046 1.00 0.00 N ATOM 689 CA MET A 47 -7.035 -10.058 14.162 1.00 0.00 C ATOM 690 C MET A 47 -8.497 -10.023 13.728 1.00 0.00 C ATOM 691 O MET A 47 -8.798 -10.073 12.535 1.00 0.00 O ATOM 692 CB MET A 47 -6.626 -8.695 14.723 1.00 0.00 C ATOM 693 CG MET A 47 -6.317 -8.717 16.212 1.00 0.00 C ATOM 694 SD MET A 47 -7.768 -8.365 17.223 1.00 0.00 S ATOM 695 CE MET A 47 -7.398 -9.317 18.695 1.00 0.00 C ATOM 0 H MET A 47 -6.619 -10.362 12.131 1.00 0.00 H new ATOM 0 HA MET A 47 -6.922 -10.813 14.940 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.749 -8.338 14.184 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.427 -7.980 14.537 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.918 -9.695 16.483 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.540 -7.984 16.430 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.206 -9.200 19.417 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.296 -10.370 18.431 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.466 -8.961 19.134 1.00 0.00 H new ATOM 705 N LEU A 48 -9.402 -9.936 14.697 1.00 0.00 N ATOM 706 CA LEU A 48 -10.830 -9.894 14.403 1.00 0.00 C ATOM 707 C LEU A 48 -11.289 -8.469 14.116 1.00 0.00 C ATOM 708 O LEU A 48 -11.865 -7.806 14.979 1.00 0.00 O ATOM 709 CB LEU A 48 -11.636 -10.471 15.568 1.00 0.00 C ATOM 710 CG LEU A 48 -12.990 -11.077 15.186 1.00 0.00 C ATOM 711 CD1 LEU A 48 -14.061 -10.659 16.181 1.00 0.00 C ATOM 712 CD2 LEU A 48 -13.388 -10.669 13.775 1.00 0.00 C ATOM 0 H LEU A 48 -9.173 -9.893 15.690 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.003 -10.501 13.514 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.037 -11.239 16.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.803 -9.681 16.300 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.895 -12.163 15.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.016 -11.099 15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.787 -11.006 17.177 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.149 -9.573 16.186 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.353 -11.112 13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.461 -9.583 13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.635 -11.020 13.069 1.00 0.00 H new ATOM 724 N VAL A 49 -11.036 -8.007 12.898 1.00 0.00 N ATOM 725 CA VAL A 49 -11.426 -6.662 12.494 1.00 0.00 C ATOM 726 C VAL A 49 -10.834 -5.612 13.430 1.00 0.00 C ATOM 727 O VAL A 49 -10.602 -5.876 14.610 1.00 0.00 O ATOM 728 CB VAL A 49 -12.960 -6.508 12.470 1.00 0.00 C ATOM 729 CG1 VAL A 49 -13.354 -5.040 12.413 1.00 0.00 C ATOM 730 CG2 VAL A 49 -13.553 -7.273 11.297 1.00 0.00 C ATOM 0 H VAL A 49 -10.562 -8.544 12.172 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.036 -6.507 11.488 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.362 -6.929 13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.441 -4.955 12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.963 -4.524 13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.941 -4.587 11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.636 -7.154 11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.143 -6.884 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.305 -8.330 11.389 1.00 0.00 H new ATOM 740 N GLN A 50 -10.595 -4.419 12.895 1.00 0.00 N ATOM 741 CA GLN A 50 -10.033 -3.327 13.681 1.00 0.00 C ATOM 742 C GLN A 50 -10.864 -2.059 13.514 1.00 0.00 C ATOM 743 O GLN A 50 -11.567 -1.893 12.518 1.00 0.00 O ATOM 744 CB GLN A 50 -8.585 -3.061 13.265 1.00 0.00 C ATOM 745 CG GLN A 50 -8.231 -3.623 11.897 1.00 0.00 C ATOM 746 CD GLN A 50 -7.904 -5.104 11.943 1.00 0.00 C ATOM 747 OE1 GLN A 50 -8.268 -5.801 12.889 1.00 0.00 O ATOM 748 NE2 GLN A 50 -7.214 -5.590 10.919 1.00 0.00 N ATOM 0 H GLN A 50 -10.782 -4.184 11.920 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.051 -3.619 14.731 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.408 -1.985 13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.917 -3.493 14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.065 -3.460 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.377 -3.078 11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.933 -4.975 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.965 -6.579 10.895 1.00 0.00 H new ATOM 757 N LYS A 51 -10.780 -1.166 14.496 1.00 0.00 N ATOM 758 CA LYS A 51 -11.524 0.088 14.458 1.00 0.00 C ATOM 759 C LYS A 51 -11.670 0.591 13.024 1.00 0.00 C ATOM 760 O LYS A 51 -10.681 0.923 12.369 1.00 0.00 O ATOM 761 CB LYS A 51 -10.827 1.146 15.314 1.00 0.00 C ATOM 762 CG LYS A 51 -10.705 0.760 16.780 1.00 0.00 C ATOM 763 CD LYS A 51 -9.286 0.957 17.291 1.00 0.00 C ATOM 764 CE LYS A 51 -9.273 1.647 18.646 1.00 0.00 C ATOM 765 NZ LYS A 51 -9.052 3.114 18.519 1.00 0.00 N ATOM 0 H LYS A 51 -10.203 -1.288 15.328 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.519 -0.097 14.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.831 1.329 14.911 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.378 2.083 15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.394 1.361 17.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.998 -0.282 16.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.789 -0.010 17.369 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.719 1.550 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.219 1.465 19.155 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.489 1.214 19.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.050 3.548 19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.137 3.288 18.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.814 3.532 17.948 1.00 0.00 H new ATOM 779 N ASN A 52 -12.908 0.643 12.542 1.00 0.00 N ATOM 780 CA ASN A 52 -13.182 1.102 11.184 1.00 0.00 C ATOM 781 C ASN A 52 -13.153 2.626 11.103 1.00 0.00 C ATOM 782 O ASN A 52 -12.705 3.300 12.029 1.00 0.00 O ATOM 783 CB ASN A 52 -14.543 0.580 10.712 1.00 0.00 C ATOM 784 CG ASN A 52 -15.679 1.530 11.043 1.00 0.00 C ATOM 785 OD1 ASN A 52 -15.998 1.752 12.211 1.00 0.00 O ATOM 786 ND2 ASN A 52 -16.296 2.098 10.012 1.00 0.00 N ATOM 0 H ASN A 52 -13.737 0.373 13.071 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.402 0.709 10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.512 0.418 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.737 -0.388 11.174 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.067 2.746 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.999 1.885 9.060 1.00 0.00 H new ATOM 793 N VAL A 53 -13.640 3.158 9.986 1.00 0.00 N ATOM 794 CA VAL A 53 -13.677 4.600 9.773 1.00 0.00 C ATOM 795 C VAL A 53 -14.922 4.995 8.987 1.00 0.00 C ATOM 796 O VAL A 53 -15.059 4.650 7.813 1.00 0.00 O ATOM 797 CB VAL A 53 -12.428 5.088 9.018 1.00 0.00 C ATOM 798 CG1 VAL A 53 -11.292 5.374 9.988 1.00 0.00 C ATOM 799 CG2 VAL A 53 -12.001 4.066 7.976 1.00 0.00 C ATOM 0 H VAL A 53 -14.016 2.609 9.212 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.700 5.071 10.756 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.678 6.016 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.418 5.718 9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.601 6.145 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.041 4.464 10.533 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.116 4.428 7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.770 3.121 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.810 3.916 7.261 1.00 0.00 H new ATOM 809 N THR A 54 -15.828 5.712 9.647 1.00 0.00 N ATOM 810 CA THR A 54 -17.072 6.153 9.020 1.00 0.00 C ATOM 811 C THR A 54 -16.920 6.276 7.506 1.00 0.00 C ATOM 812 O THR A 54 -17.636 5.622 6.749 1.00 0.00 O ATOM 813 CB THR A 54 -17.515 7.492 9.612 1.00 0.00 C ATOM 814 OG1 THR A 54 -18.621 8.017 8.900 1.00 0.00 O ATOM 815 CG2 THR A 54 -16.423 8.537 9.604 1.00 0.00 C ATOM 0 H THR A 54 -15.724 6.001 10.620 1.00 0.00 H new ATOM 0 HA THR A 54 -17.833 5.400 9.222 1.00 0.00 H new ATOM 0 HB THR A 54 -17.782 7.276 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 54 -18.889 8.872 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.802 9.463 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.576 8.182 10.191 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.103 8.721 8.578 1.00 0.00 H new ATOM 823 N SER A 55 -15.984 7.117 7.074 1.00 0.00 N ATOM 824 CA SER A 55 -15.740 7.322 5.649 1.00 0.00 C ATOM 825 C SER A 55 -15.100 8.684 5.396 1.00 0.00 C ATOM 826 O SER A 55 -15.669 9.722 5.735 1.00 0.00 O ATOM 827 CB SER A 55 -17.048 7.202 4.864 1.00 0.00 C ATOM 828 OG SER A 55 -17.022 8.010 3.698 1.00 0.00 O ATOM 0 H SER A 55 -15.383 7.666 7.689 1.00 0.00 H new ATOM 0 HA SER A 55 -15.050 6.550 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.214 6.161 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.884 7.499 5.497 1.00 0.00 H new ATOM 0 HG SER A 55 -17.869 7.914 3.214 1.00 0.00 H new ATOM 834 N GLU A 56 -13.914 8.671 4.794 1.00 0.00 N ATOM 835 CA GLU A 56 -13.195 9.904 4.491 1.00 0.00 C ATOM 836 C GLU A 56 -12.320 9.731 3.252 1.00 0.00 C ATOM 837 O GLU A 56 -11.127 9.451 3.359 1.00 0.00 O ATOM 838 CB GLU A 56 -12.335 10.326 5.684 1.00 0.00 C ATOM 839 CG GLU A 56 -12.133 9.224 6.712 1.00 0.00 C ATOM 840 CD GLU A 56 -11.362 8.041 6.157 1.00 0.00 C ATOM 841 OE1 GLU A 56 -11.825 7.442 5.164 1.00 0.00 O ATOM 842 OE2 GLU A 56 -10.294 7.715 6.716 1.00 0.00 O ATOM 0 H GLU A 56 -13.431 7.820 4.506 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.929 10.684 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.361 10.655 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.800 11.184 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.600 9.629 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.105 8.884 7.070 1.00 0.00 H new ATOM 849 N SER A 57 -12.922 9.897 2.079 1.00 0.00 N ATOM 850 CA SER A 57 -12.198 9.756 0.820 1.00 0.00 C ATOM 851 C SER A 57 -11.669 8.334 0.655 1.00 0.00 C ATOM 852 O SER A 57 -12.241 7.383 1.190 1.00 0.00 O ATOM 853 CB SER A 57 -11.040 10.753 0.755 1.00 0.00 C ATOM 854 OG SER A 57 -11.265 11.857 1.615 1.00 0.00 O ATOM 0 H SER A 57 -13.910 10.129 1.974 1.00 0.00 H new ATOM 0 HA SER A 57 -12.892 9.965 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.112 10.255 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.917 11.106 -0.269 1.00 0.00 H new ATOM 0 HG SER A 57 -10.509 12.478 1.555 1.00 0.00 H new ATOM 860 N THR A 58 -10.574 8.195 -0.086 1.00 0.00 N ATOM 861 CA THR A 58 -9.970 6.888 -0.318 1.00 0.00 C ATOM 862 C THR A 58 -8.738 7.004 -1.209 1.00 0.00 C ATOM 863 O THR A 58 -8.339 8.105 -1.591 1.00 0.00 O ATOM 864 CB THR A 58 -10.988 5.939 -0.953 1.00 0.00 C ATOM 865 OG1 THR A 58 -12.147 6.645 -1.361 1.00 0.00 O ATOM 866 CG2 THR A 58 -11.430 4.828 -0.024 1.00 0.00 C ATOM 0 H THR A 58 -10.087 8.971 -0.536 1.00 0.00 H new ATOM 0 HA THR A 58 -9.659 6.485 0.645 1.00 0.00 H new ATOM 0 HB THR A 58 -10.476 5.495 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.785 6.021 -1.766 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.152 4.191 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.565 4.233 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.892 5.259 0.864 1.00 0.00 H new ATOM 874 N CYS A 59 -8.144 5.857 -1.533 1.00 0.00 N ATOM 875 CA CYS A 59 -6.952 5.798 -2.380 1.00 0.00 C ATOM 876 C CYS A 59 -5.720 5.451 -1.559 1.00 0.00 C ATOM 877 O CYS A 59 -5.481 6.024 -0.499 1.00 0.00 O ATOM 878 CB CYS A 59 -6.721 7.115 -3.113 1.00 0.00 C ATOM 879 SG CYS A 59 -5.438 7.030 -4.404 1.00 0.00 S ATOM 0 H CYS A 59 -8.473 4.945 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.123 5.015 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -7.659 7.435 -3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.441 7.879 -2.387 1.00 0.00 H new ATOM 884 N CYS A 60 -4.944 4.509 -2.061 1.00 0.00 N ATOM 885 CA CYS A 60 -3.730 4.074 -1.379 1.00 0.00 C ATOM 886 C CYS A 60 -2.805 5.254 -1.104 1.00 0.00 C ATOM 887 O CYS A 60 -2.382 5.953 -2.024 1.00 0.00 O ATOM 888 CB CYS A 60 -2.997 3.027 -2.216 1.00 0.00 C ATOM 889 SG CYS A 60 -4.098 1.886 -3.111 1.00 0.00 S ATOM 0 H CYS A 60 -5.129 4.027 -2.940 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.020 3.632 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.357 3.537 -2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.344 2.448 -1.563 1.00 0.00 H new ATOM 894 N VAL A 61 -2.493 5.468 0.170 1.00 0.00 N ATOM 895 CA VAL A 61 -1.617 6.559 0.571 1.00 0.00 C ATOM 896 C VAL A 61 -0.792 6.163 1.787 1.00 0.00 C ATOM 897 O VAL A 61 -1.084 6.580 2.907 1.00 0.00 O ATOM 898 CB VAL A 61 -2.415 7.834 0.901 1.00 0.00 C ATOM 899 CG1 VAL A 61 -2.491 8.742 -0.315 1.00 0.00 C ATOM 900 CG2 VAL A 61 -3.808 7.484 1.405 1.00 0.00 C ATOM 0 H VAL A 61 -2.836 4.898 0.943 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.957 6.767 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.895 8.369 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.058 9.638 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.484 9.024 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.985 8.216 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.354 8.400 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.342 6.924 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.727 6.877 2.307 1.00 0.00 H new ATOM 910 N ALA A 62 0.231 5.342 1.552 1.00 0.00 N ATOM 911 CA ALA A 62 1.106 4.861 2.620 1.00 0.00 C ATOM 912 C ALA A 62 0.796 5.505 3.948 1.00 0.00 C ATOM 913 O ALA A 62 1.186 6.636 4.232 1.00 0.00 O ATOM 914 CB ALA A 62 2.572 5.047 2.260 1.00 0.00 C ATOM 0 H ALA A 62 0.475 4.994 0.625 1.00 0.00 H new ATOM 0 HA ALA A 62 0.912 3.794 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.196 4.680 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.797 4.490 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.775 6.105 2.096 1.00 0.00 H new ATOM 920 N LYS A 63 0.117 4.728 4.765 1.00 0.00 N ATOM 921 CA LYS A 63 -0.245 5.136 6.099 1.00 0.00 C ATOM 922 C LYS A 63 0.976 5.639 6.790 1.00 0.00 C ATOM 923 O LYS A 63 0.971 6.674 7.456 1.00 0.00 O ATOM 924 CB LYS A 63 -0.741 3.946 6.885 1.00 0.00 C ATOM 925 CG LYS A 63 -1.024 2.739 6.049 1.00 0.00 C ATOM 926 CD LYS A 63 -2.245 1.986 6.547 1.00 0.00 C ATOM 927 CE LYS A 63 -1.874 0.964 7.607 1.00 0.00 C ATOM 928 NZ LYS A 63 -2.889 0.902 8.694 1.00 0.00 N ATOM 0 H LYS A 63 -0.200 3.791 4.517 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.019 5.901 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.002 3.687 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.650 4.228 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.180 3.042 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.158 2.077 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.967 2.692 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.731 1.484 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.775 -0.019 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.902 1.217 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.601 0.193 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.966 1.833 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.811 0.636 8.293 1.00 0.00 H new ATOM 942 N SER A 64 2.034 4.873 6.617 1.00 0.00 N ATOM 943 CA SER A 64 3.285 5.209 7.212 1.00 0.00 C ATOM 944 C SER A 64 4.416 4.947 6.244 1.00 0.00 C ATOM 945 O SER A 64 4.694 3.807 5.889 1.00 0.00 O ATOM 946 CB SER A 64 3.499 4.451 8.522 1.00 0.00 C ATOM 947 OG SER A 64 2.660 4.956 9.547 1.00 0.00 O ATOM 0 H SER A 64 2.039 4.015 6.066 1.00 0.00 H new ATOM 0 HA SER A 64 3.273 6.273 7.448 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.295 3.391 8.370 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.542 4.534 8.828 1.00 0.00 H new ATOM 0 HG SER A 64 2.815 4.453 10.374 1.00 0.00 H new ATOM 953 N TYR A 65 5.047 6.018 5.807 1.00 0.00 N ATOM 954 CA TYR A 65 6.137 5.930 4.855 1.00 0.00 C ATOM 955 C TYR A 65 7.483 6.024 5.532 1.00 0.00 C ATOM 956 O TYR A 65 7.600 6.483 6.668 1.00 0.00 O ATOM 957 CB TYR A 65 6.026 7.058 3.843 1.00 0.00 C ATOM 958 CG TYR A 65 5.389 8.310 4.401 1.00 0.00 C ATOM 959 CD1 TYR A 65 4.012 8.481 4.382 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.169 9.323 4.942 1.00 0.00 C ATOM 961 CE1 TYR A 65 3.428 9.625 4.891 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.595 10.471 5.452 1.00 0.00 C ATOM 963 CZ TYR A 65 4.223 10.618 5.424 1.00 0.00 C ATOM 964 OH TYR A 65 3.647 11.759 5.932 1.00 0.00 O ATOM 0 H TYR A 65 4.821 6.969 6.099 1.00 0.00 H new ATOM 0 HA TYR A 65 6.062 4.960 4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.022 7.301 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.443 6.713 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.386 7.707 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.243 9.211 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.354 9.741 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.216 11.249 5.870 1.00 0.00 H new ATOM 0 HH TYR A 65 4.347 12.356 6.269 1.00 0.00 H new ATOM 974 N ASN A 66 8.506 5.632 4.796 1.00 0.00 N ATOM 975 CA ASN A 66 9.868 5.719 5.291 1.00 0.00 C ATOM 976 C ASN A 66 10.718 6.299 4.194 1.00 0.00 C ATOM 977 O ASN A 66 11.910 6.028 4.069 1.00 0.00 O ATOM 978 CB ASN A 66 10.393 4.364 5.734 1.00 0.00 C ATOM 979 CG ASN A 66 10.752 4.333 7.205 1.00 0.00 C ATOM 980 OD1 ASN A 66 9.991 4.800 8.054 1.00 0.00 O ATOM 981 ND2 ASN A 66 11.921 3.784 7.515 1.00 0.00 N ATOM 0 H ASN A 66 8.420 5.250 3.854 1.00 0.00 H new ATOM 0 HA ASN A 66 9.899 6.360 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.640 3.602 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.273 4.108 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.220 3.737 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.520 3.409 6.779 1.00 0.00 H new ATOM 988 N ARG A 67 10.034 7.099 3.410 1.00 0.00 N ATOM 989 CA ARG A 67 10.591 7.795 2.264 1.00 0.00 C ATOM 990 C ARG A 67 12.099 7.617 2.151 1.00 0.00 C ATOM 991 O ARG A 67 12.844 7.816 3.110 1.00 0.00 O ATOM 992 CB ARG A 67 10.220 9.270 2.348 1.00 0.00 C ATOM 993 CG ARG A 67 9.758 9.860 1.030 1.00 0.00 C ATOM 994 CD ARG A 67 10.673 10.989 0.577 1.00 0.00 C ATOM 995 NE ARG A 67 10.209 12.293 1.046 1.00 0.00 N ATOM 996 CZ ARG A 67 10.767 13.446 0.687 1.00 0.00 C ATOM 997 NH1 ARG A 67 11.805 13.454 -0.137 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.286 14.591 1.151 1.00 0.00 N ATOM 0 H ARG A 67 9.043 7.292 3.553 1.00 0.00 H new ATOM 0 HA ARG A 67 10.165 7.359 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.430 9.395 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.083 9.832 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.735 9.080 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.740 10.234 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.682 10.809 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.730 10.995 -0.512 1.00 0.00 H new ATOM 0 HE ARG A 67 9.413 12.321 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.177 12.575 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.232 14.339 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.487 14.589 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.715 15.474 0.874 1.00 0.00 H new ATOM 1012 N VAL A 68 12.527 7.239 0.955 1.00 0.00 N ATOM 1013 CA VAL A 68 13.937 7.016 0.661 1.00 0.00 C ATOM 1014 C VAL A 68 14.280 7.525 -0.728 1.00 0.00 C ATOM 1015 O VAL A 68 14.919 6.825 -1.513 1.00 0.00 O ATOM 1016 CB VAL A 68 14.295 5.518 0.732 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.694 4.869 1.968 1.00 0.00 C ATOM 1018 CG2 VAL A 68 13.826 4.801 -0.530 1.00 0.00 C ATOM 0 H VAL A 68 11.908 7.078 0.161 1.00 0.00 H new ATOM 0 HA VAL A 68 14.510 7.560 1.412 1.00 0.00 H new ATOM 0 HB VAL A 68 15.379 5.432 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.963 3.813 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.079 5.362 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.609 4.966 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.086 3.744 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.745 4.904 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.312 5.242 -1.401 1.00 0.00 H new ATOM 1028 N THR A 69 13.839 8.737 -1.025 1.00 0.00 N ATOM 1029 CA THR A 69 14.078 9.344 -2.331 1.00 0.00 C ATOM 1030 C THR A 69 15.010 8.484 -3.174 1.00 0.00 C ATOM 1031 O THR A 69 16.152 8.229 -2.793 1.00 0.00 O ATOM 1032 CB THR A 69 14.658 10.745 -2.185 1.00 0.00 C ATOM 1033 OG1 THR A 69 13.685 11.641 -1.677 1.00 0.00 O ATOM 1034 CG2 THR A 69 15.160 11.299 -3.497 1.00 0.00 C ATOM 0 H THR A 69 13.311 9.324 -0.379 1.00 0.00 H new ATOM 0 HA THR A 69 13.116 9.415 -2.838 1.00 0.00 H new ATOM 0 HB THR A 69 15.496 10.654 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.894 11.626 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.563 12.299 -3.339 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.942 10.650 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.337 11.348 -4.210 1.00 0.00 H new ATOM 1042 N VAL A 70 14.506 8.023 -4.310 1.00 0.00 N ATOM 1043 CA VAL A 70 15.287 7.167 -5.191 1.00 0.00 C ATOM 1044 C VAL A 70 15.500 7.773 -6.563 1.00 0.00 C ATOM 1045 O VAL A 70 15.211 8.943 -6.808 1.00 0.00 O ATOM 1046 CB VAL A 70 14.620 5.789 -5.381 1.00 0.00 C ATOM 1047 CG1 VAL A 70 14.244 5.188 -4.038 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.394 5.891 -6.270 1.00 0.00 C ATOM 0 H VAL A 70 13.563 8.226 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 70 16.252 7.056 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 70 15.342 5.135 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.775 4.216 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.141 5.065 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.546 5.850 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.945 4.904 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.670 6.568 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.685 6.274 -7.248 1.00 0.00 H new ATOM 1058 N MET A 71 16.011 6.938 -7.451 1.00 0.00 N ATOM 1059 CA MET A 71 16.280 7.328 -8.820 1.00 0.00 C ATOM 1060 C MET A 71 16.725 8.776 -8.909 1.00 0.00 C ATOM 1061 O MET A 71 17.653 9.202 -8.221 1.00 0.00 O ATOM 1062 CB MET A 71 15.034 7.124 -9.673 1.00 0.00 C ATOM 1063 CG MET A 71 14.350 5.802 -9.436 1.00 0.00 C ATOM 1064 SD MET A 71 14.790 4.564 -10.671 1.00 0.00 S ATOM 1065 CE MET A 71 13.414 3.426 -10.530 1.00 0.00 C ATOM 0 H MET A 71 16.251 5.969 -7.241 1.00 0.00 H new ATOM 0 HA MET A 71 17.089 6.700 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.329 7.930 -9.470 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.308 7.198 -10.725 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.615 5.432 -8.445 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.270 5.949 -9.443 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.672 2.482 -11.009 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.194 3.250 -9.477 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.538 3.853 -11.018 1.00 0.00 H new ATOM 1075 N GLY A 72 16.054 9.523 -9.770 1.00 0.00 N ATOM 1076 CA GLY A 72 16.376 10.914 -9.958 1.00 0.00 C ATOM 1077 C GLY A 72 15.730 11.806 -8.919 1.00 0.00 C ATOM 1078 O GLY A 72 15.322 12.927 -9.219 1.00 0.00 O ATOM 0 H GLY A 72 15.284 9.183 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.458 11.041 -9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.054 11.227 -10.951 1.00 0.00 H new ATOM 1082 N GLY A 73 15.633 11.303 -7.693 1.00 0.00 N ATOM 1083 CA GLY A 73 15.028 12.069 -6.620 1.00 0.00 C ATOM 1084 C GLY A 73 13.625 11.598 -6.308 1.00 0.00 C ATOM 1085 O GLY A 73 12.837 12.318 -5.695 1.00 0.00 O ATOM 0 H GLY A 73 15.963 10.376 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.645 11.989 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.003 13.123 -6.896 1.00 0.00 H new ATOM 1089 N PHE A 74 13.318 10.378 -6.732 1.00 0.00 N ATOM 1090 CA PHE A 74 12.008 9.786 -6.506 1.00 0.00 C ATOM 1091 C PHE A 74 11.621 9.861 -5.037 1.00 0.00 C ATOM 1092 O PHE A 74 12.348 10.429 -4.226 1.00 0.00 O ATOM 1093 CB PHE A 74 12.023 8.332 -6.972 1.00 0.00 C ATOM 1094 CG PHE A 74 11.670 8.170 -8.423 1.00 0.00 C ATOM 1095 CD1 PHE A 74 12.164 9.056 -9.368 1.00 0.00 C ATOM 1096 CD2 PHE A 74 10.845 7.138 -8.843 1.00 0.00 C ATOM 1097 CE1 PHE A 74 11.844 8.915 -10.704 1.00 0.00 C ATOM 1098 CE2 PHE A 74 10.523 6.993 -10.179 1.00 0.00 C ATOM 1099 CZ PHE A 74 11.022 7.883 -11.111 1.00 0.00 C ATOM 0 H PHE A 74 13.966 9.776 -7.239 1.00 0.00 H new ATOM 0 HA PHE A 74 11.268 10.346 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.013 7.912 -6.797 1.00 0.00 H new ATOM 0 HB3 PHE A 74 11.321 7.757 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.807 9.866 -9.056 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.450 6.441 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.236 9.612 -11.430 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.881 6.184 -10.495 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.770 7.772 -12.155 1.00 0.00 H new ATOM 1109 N LYS A 75 10.473 9.282 -4.706 1.00 0.00 N ATOM 1110 CA LYS A 75 9.985 9.279 -3.332 1.00 0.00 C ATOM 1111 C LYS A 75 9.078 8.075 -3.078 1.00 0.00 C ATOM 1112 O LYS A 75 7.879 8.122 -3.348 1.00 0.00 O ATOM 1113 CB LYS A 75 9.226 10.574 -3.028 1.00 0.00 C ATOM 1114 CG LYS A 75 9.876 11.817 -3.616 1.00 0.00 C ATOM 1115 CD LYS A 75 9.509 13.065 -2.828 1.00 0.00 C ATOM 1116 CE LYS A 75 8.005 13.284 -2.797 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.478 13.725 -4.118 1.00 0.00 N ATOM 0 H LYS A 75 9.862 8.808 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 75 10.849 9.210 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.210 10.489 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.147 10.693 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.959 11.694 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.564 11.936 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.886 12.977 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.995 13.933 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.510 12.359 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.763 14.032 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.449 13.863 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.931 14.621 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.685 13.000 -4.834 1.00 0.00 H new ATOM 1131 N VAL A 76 9.660 7.001 -2.551 1.00 0.00 N ATOM 1132 CA VAL A 76 8.903 5.787 -2.251 1.00 0.00 C ATOM 1133 C VAL A 76 8.292 5.871 -0.895 1.00 0.00 C ATOM 1134 O VAL A 76 7.811 4.873 -0.359 1.00 0.00 O ATOM 1135 CB VAL A 76 9.811 4.540 -2.253 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.408 4.315 -3.631 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.898 4.765 -1.214 1.00 0.00 C ATOM 0 H VAL A 76 10.653 6.946 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 76 8.139 5.701 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 76 9.237 3.647 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.045 3.431 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.607 4.169 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.001 5.184 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.561 3.900 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.472 5.654 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.442 4.902 -0.234 1.00 0.00 H new ATOM 1147 N GLU A 77 8.348 7.054 -0.334 1.00 0.00 N ATOM 1148 CA GLU A 77 7.833 7.257 1.011 1.00 0.00 C ATOM 1149 C GLU A 77 7.936 5.908 1.697 1.00 0.00 C ATOM 1150 O GLU A 77 7.001 5.434 2.335 1.00 0.00 O ATOM 1151 CB GLU A 77 6.381 7.741 0.953 1.00 0.00 C ATOM 1152 CG GLU A 77 6.100 8.953 1.823 1.00 0.00 C ATOM 1153 CD GLU A 77 6.208 10.261 1.063 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.371 10.217 -0.174 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.126 11.328 1.706 1.00 0.00 O ATOM 0 H GLU A 77 8.739 7.886 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 77 8.394 8.017 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.130 7.982 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.725 6.926 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.099 8.866 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.800 8.965 2.658 1.00 0.00 H new ATOM 1162 N ASN A 78 9.080 5.264 1.439 1.00 0.00 N ATOM 1163 CA ASN A 78 9.342 3.910 1.888 1.00 0.00 C ATOM 1164 C ASN A 78 8.159 3.412 2.670 1.00 0.00 C ATOM 1165 O ASN A 78 8.189 3.285 3.893 1.00 0.00 O ATOM 1166 CB ASN A 78 10.627 3.754 2.678 1.00 0.00 C ATOM 1167 CG ASN A 78 10.949 2.283 2.780 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.007 1.587 1.767 1.00 0.00 O ATOM 1169 ND2 ASN A 78 11.166 1.795 3.984 1.00 0.00 N ATOM 0 H ASN A 78 9.848 5.678 0.910 1.00 0.00 H new ATOM 0 HA ASN A 78 9.489 3.301 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.441 4.287 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.516 4.188 3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.109 2.405 4.800 1.00 0.00 H new ATOM 1174 N HIS A 79 7.096 3.194 1.929 1.00 0.00 N ATOM 1175 CA HIS A 79 5.840 2.777 2.486 1.00 0.00 C ATOM 1176 C HIS A 79 5.975 1.707 3.538 1.00 0.00 C ATOM 1177 O HIS A 79 6.307 0.556 3.268 1.00 0.00 O ATOM 1178 CB HIS A 79 4.900 2.339 1.380 1.00 0.00 C ATOM 1179 CG HIS A 79 4.604 3.470 0.479 1.00 0.00 C ATOM 1180 ND1 HIS A 79 3.776 3.408 -0.605 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.092 4.723 0.522 1.00 0.00 C ATOM 1182 CE1 HIS A 79 3.788 4.613 -1.192 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.573 5.452 -0.541 1.00 0.00 N ATOM 0 H HIS A 79 7.084 3.304 0.915 1.00 0.00 H new ATOM 0 HA HIS A 79 5.419 3.643 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.349 1.523 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.974 1.957 1.811 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.778 5.102 1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.229 4.865 -2.081 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.759 6.428 -0.770 1.00 0.00 H new ATOM 1191 N THR A 80 5.670 2.112 4.742 1.00 0.00 N ATOM 1192 CA THR A 80 5.698 1.217 5.876 1.00 0.00 C ATOM 1193 C THR A 80 4.310 0.609 6.044 1.00 0.00 C ATOM 1194 O THR A 80 4.168 -0.554 6.419 1.00 0.00 O ATOM 1195 CB THR A 80 6.150 1.973 7.120 1.00 0.00 C ATOM 1196 OG1 THR A 80 5.054 2.589 7.771 1.00 0.00 O ATOM 1197 CG2 THR A 80 7.169 3.046 6.792 1.00 0.00 C ATOM 0 H THR A 80 5.395 3.068 4.968 1.00 0.00 H new ATOM 0 HA THR A 80 6.412 0.409 5.716 1.00 0.00 H new ATOM 0 HB THR A 80 6.606 1.232 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.447 2.968 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.464 3.560 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.046 2.587 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.731 3.763 6.098 1.00 0.00 H new ATOM 1205 N ALA A 81 3.287 1.403 5.716 1.00 0.00 N ATOM 1206 CA ALA A 81 1.914 0.956 5.776 1.00 0.00 C ATOM 1207 C ALA A 81 1.113 1.694 4.708 1.00 0.00 C ATOM 1208 O ALA A 81 1.450 2.825 4.363 1.00 0.00 O ATOM 1209 CB ALA A 81 1.345 1.196 7.165 1.00 0.00 C ATOM 0 H ALA A 81 3.398 2.368 5.404 1.00 0.00 H new ATOM 0 HA ALA A 81 1.857 -0.115 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.310 0.855 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.932 0.644 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.384 2.261 7.395 1.00 0.00 H new ATOM 1215 N CYS A 82 0.066 1.067 4.173 1.00 0.00 N ATOM 1216 CA CYS A 82 -0.742 1.711 3.138 1.00 0.00 C ATOM 1217 C CYS A 82 -2.232 1.658 3.471 1.00 0.00 C ATOM 1218 O CYS A 82 -2.771 0.603 3.808 1.00 0.00 O ATOM 1219 CB CYS A 82 -0.483 1.064 1.773 1.00 0.00 C ATOM 1220 SG CYS A 82 0.633 2.024 0.690 1.00 0.00 S ATOM 0 H CYS A 82 -0.239 0.129 4.433 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.445 2.759 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -0.057 0.073 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.436 0.925 1.262 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.889 2.814 3.379 1.00 0.00 N ATOM 1226 CA HIS A 83 -4.318 2.915 3.674 1.00 0.00 C ATOM 1227 C HIS A 83 -5.065 3.675 2.582 1.00 0.00 C ATOM 1228 O HIS A 83 -4.660 4.765 2.179 1.00 0.00 O ATOM 1229 CB HIS A 83 -4.533 3.626 5.012 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.868 4.968 5.090 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -3.119 5.642 4.184 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -3.936 5.779 6.204 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -2.753 6.831 4.761 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -3.258 6.892 5.978 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.454 3.694 3.102 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.712 1.900 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.603 3.749 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.154 2.994 5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.461 5.542 7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.149 7.595 4.294 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.145 7.666 6.633 1.00 0.00 H new ATOM 1243 N CYS A 84 -6.171 3.100 2.123 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.990 3.732 1.098 1.00 0.00 C ATOM 1245 C CYS A 84 -7.601 5.022 1.633 1.00 0.00 C ATOM 1246 O CYS A 84 -8.573 4.996 2.387 1.00 0.00 O ATOM 1247 CB CYS A 84 -8.097 2.782 0.641 1.00 0.00 C ATOM 1248 SG CYS A 84 -7.493 1.193 -0.012 1.00 0.00 S ATOM 0 H CYS A 84 -6.520 2.197 2.445 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.355 3.968 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.763 2.587 1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.690 3.276 -0.128 1.00 0.00 H new ATOM 1253 N SER A 85 -7.018 6.147 1.243 1.00 0.00 N ATOM 1254 CA SER A 85 -7.492 7.451 1.684 1.00 0.00 C ATOM 1255 C SER A 85 -7.081 8.537 0.696 1.00 0.00 C ATOM 1256 O SER A 85 -6.355 8.273 -0.263 1.00 0.00 O ATOM 1257 CB SER A 85 -6.940 7.770 3.073 1.00 0.00 C ATOM 1258 OG SER A 85 -7.866 7.412 4.084 1.00 0.00 O ATOM 0 H SER A 85 -6.212 6.182 0.619 1.00 0.00 H new ATOM 0 HA SER A 85 -8.581 7.422 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.003 7.235 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.714 8.834 3.143 1.00 0.00 H new ATOM 0 HG SER A 85 -8.324 6.584 3.830 1.00 0.00 H new ATOM 1264 N THR A 86 -7.551 9.756 0.936 1.00 0.00 N ATOM 1265 CA THR A 86 -7.235 10.885 0.067 1.00 0.00 C ATOM 1266 C THR A 86 -5.826 10.762 -0.505 1.00 0.00 C ATOM 1267 O THR A 86 -4.861 10.549 0.230 1.00 0.00 O ATOM 1268 CB THR A 86 -7.374 12.200 0.836 1.00 0.00 C ATOM 1269 OG1 THR A 86 -6.706 13.250 0.161 1.00 0.00 O ATOM 1270 CG2 THR A 86 -6.821 12.134 2.243 1.00 0.00 C ATOM 0 H THR A 86 -8.153 9.988 1.726 1.00 0.00 H new ATOM 0 HA THR A 86 -7.942 10.879 -0.763 1.00 0.00 H new ATOM 0 HB THR A 86 -8.446 12.387 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.808 14.082 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.952 13.100 2.731 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.352 11.367 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.760 11.887 2.206 1.00 0.00 H new ATOM 1278 N CYS A 87 -5.719 10.898 -1.822 1.00 0.00 N ATOM 1279 CA CYS A 87 -4.431 10.803 -2.498 1.00 0.00 C ATOM 1280 C CYS A 87 -4.381 11.735 -3.705 1.00 0.00 C ATOM 1281 O CYS A 87 -5.416 12.184 -4.199 1.00 0.00 O ATOM 1282 CB CYS A 87 -4.166 9.361 -2.937 1.00 0.00 C ATOM 1283 SG CYS A 87 -4.814 8.953 -4.591 1.00 0.00 S ATOM 0 H CYS A 87 -6.509 11.074 -2.443 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.656 11.108 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.091 9.181 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.610 8.684 -2.208 1.00 0.00 H new ATOM 1288 N TYR A 88 -3.172 12.021 -4.175 1.00 0.00 N ATOM 1289 CA TYR A 88 -2.984 12.898 -5.325 1.00 0.00 C ATOM 1290 C TYR A 88 -2.658 12.087 -6.575 1.00 0.00 C ATOM 1291 O TYR A 88 -1.967 11.071 -6.501 1.00 0.00 O ATOM 1292 CB TYR A 88 -1.862 13.900 -5.042 1.00 0.00 C ATOM 1293 CG TYR A 88 -1.666 14.927 -6.133 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -2.733 15.350 -6.916 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -0.414 15.478 -6.378 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -2.558 16.292 -7.911 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -0.232 16.422 -7.371 1.00 0.00 C ATOM 1298 CZ TYR A 88 -1.305 16.824 -8.135 1.00 0.00 C ATOM 1299 OH TYR A 88 -1.129 17.763 -9.126 1.00 0.00 O ATOM 0 H TYR A 88 -2.306 11.658 -3.777 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.913 13.441 -5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.077 14.416 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.929 13.355 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.715 14.935 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.431 15.163 -5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.398 16.610 -8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.747 16.842 -7.547 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.189 18.037 -9.153 1.00 0.00 H new ATOM 1309 N TYR A 89 -3.160 12.536 -7.722 1.00 0.00 N ATOM 1310 CA TYR A 89 -2.917 11.845 -8.984 1.00 0.00 C ATOM 1311 C TYR A 89 -1.460 11.987 -9.408 1.00 0.00 C ATOM 1312 O TYR A 89 -1.164 12.483 -10.496 1.00 0.00 O ATOM 1313 CB TYR A 89 -3.834 12.393 -10.081 1.00 0.00 C ATOM 1314 CG TYR A 89 -5.266 11.911 -9.981 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -5.605 10.835 -9.170 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -6.279 12.534 -10.701 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -6.911 10.393 -9.080 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -7.587 12.097 -10.615 1.00 0.00 C ATOM 1319 CZ TYR A 89 -7.898 11.027 -9.804 1.00 0.00 C ATOM 1320 OH TYR A 89 -9.199 10.591 -9.716 1.00 0.00 O ATOM 0 H TYR A 89 -3.736 13.374 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.135 10.787 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.824 13.482 -10.039 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.432 12.108 -11.053 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.835 10.336 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.040 13.373 -11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.157 9.555 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.362 12.592 -11.181 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.769 11.146 -10.288 1.00 0.00 H new ATOM 1330 N HIS A 90 -0.554 11.549 -8.542 1.00 0.00 N ATOM 1331 CA HIS A 90 0.874 11.626 -8.826 1.00 0.00 C ATOM 1332 C HIS A 90 1.447 10.238 -9.088 1.00 0.00 C ATOM 1333 O HIS A 90 2.089 10.009 -10.113 1.00 0.00 O ATOM 1334 CB HIS A 90 1.608 12.283 -7.656 1.00 0.00 C ATOM 1335 CG HIS A 90 2.672 13.247 -8.079 1.00 0.00 C ATOM 1336 ND1 HIS A 90 3.472 13.926 -7.185 1.00 0.00 N ATOM 1337 CD2 HIS A 90 3.066 13.649 -9.312 1.00 0.00 C ATOM 1338 CE1 HIS A 90 4.310 14.704 -7.846 1.00 0.00 C ATOM 1339 NE2 HIS A 90 4.085 14.553 -9.139 1.00 0.00 N ATOM 0 H HIS A 90 -0.783 11.137 -7.637 1.00 0.00 H new ATOM 0 HA HIS A 90 1.014 12.232 -9.721 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.884 12.806 -7.032 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.059 11.506 -7.039 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.655 13.320 -10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.052 15.353 -7.405 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.587 15.031 -9.888 1.00 0.00 H new ATOM 1348 N LYS A 91 1.207 9.323 -8.149 1.00 0.00 N ATOM 1349 CA LYS A 91 1.687 7.945 -8.252 1.00 0.00 C ATOM 1350 C LYS A 91 2.443 7.701 -9.556 1.00 0.00 C ATOM 1351 O LYS A 91 1.942 7.034 -10.461 1.00 0.00 O ATOM 1352 CB LYS A 91 0.513 6.971 -8.141 1.00 0.00 C ATOM 1353 CG LYS A 91 -0.706 7.563 -7.453 1.00 0.00 C ATOM 1354 CD LYS A 91 -1.935 6.691 -7.650 1.00 0.00 C ATOM 1355 CE LYS A 91 -2.790 6.634 -6.393 1.00 0.00 C ATOM 1356 NZ LYS A 91 -1.963 6.636 -5.155 1.00 0.00 N ATOM 0 H LYS A 91 0.677 9.515 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 91 2.382 7.777 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.231 6.640 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.836 6.087 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.505 7.675 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.899 8.561 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.529 7.080 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.626 5.683 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.468 7.487 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.407 5.736 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.487 6.171 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.076 6.122 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.747 7.616 -4.883 1.00 0.00 H new ATOM 1370 N SER A 92 3.653 8.243 -9.642 1.00 0.00 N ATOM 1371 CA SER A 92 4.482 8.085 -10.832 1.00 0.00 C ATOM 1372 C SER A 92 5.900 8.586 -10.574 1.00 0.00 C ATOM 1373 O SER A 92 6.328 9.529 -11.271 1.00 0.00 O ATOM 1374 CB SER A 92 3.870 8.837 -12.016 1.00 0.00 C ATOM 1375 OG SER A 92 2.515 8.470 -12.209 1.00 0.00 O ATOM 1376 OXT SER A 92 6.567 8.032 -9.676 1.00 0.00 O ATOM 0 H SER A 92 4.082 8.797 -8.901 1.00 0.00 H new ATOM 0 HA SER A 92 4.526 7.023 -11.074 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.938 9.911 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.440 8.623 -12.920 1.00 0.00 H new ATOM 0 HG SER A 92 2.357 7.584 -11.820 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 11.319 0.373 4.148 1.00 0.00 C HETATM 1384 C2 NAG A 178 12.660 0.041 4.762 1.00 0.00 C HETATM 1385 C3 NAG A 178 12.799 -1.460 4.899 1.00 0.00 C HETATM 1386 C4 NAG A 178 11.620 -2.045 5.655 1.00 0.00 C HETATM 1387 C5 NAG A 178 10.297 -1.548 5.077 1.00 0.00 C HETATM 1388 C6 NAG A 178 9.108 -1.943 5.928 1.00 0.00 C HETATM 1389 C7 NAG A 178 14.569 1.461 4.385 1.00 0.00 C HETATM 1390 C8 NAG A 178 15.662 1.945 3.445 1.00 0.00 C HETATM 1391 N2 NAG A 178 13.721 0.552 3.917 1.00 0.00 N HETATM 1392 O3 NAG A 178 13.996 -1.757 5.603 1.00 0.00 O HETATM 1393 O4 NAG A 178 11.667 -3.481 5.525 1.00 0.00 O HETATM 1394 O5 NAG A 178 10.270 -0.119 4.981 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.256 -1.485 7.264 1.00 0.00 O HETATM 1396 O7 NAG A 178 14.497 1.918 5.526 1.00 0.00 O HETATM 0 HO6 NAG A 178 8.474 -1.752 7.790 1.00 0.00 H new HETATM 0 HO3 NAG A 178 14.089 -2.728 5.695 1.00 0.00 H new HETATM 0 HN2 NAG A 178 13.817 0.213 2.960 1.00 0.00 H new HETATM 0 H83 NAG A 178 16.281 1.101 3.141 1.00 0.00 H new HETATM 0 H82 NAG A 178 15.209 2.398 2.563 1.00 0.00 H new HETATM 0 H81 NAG A 178 16.280 2.683 3.956 1.00 0.00 H new HETATM 0 H62 NAG A 178 8.196 -1.528 5.498 1.00 0.00 H new HETATM 0 H61 NAG A 178 8.998 -3.027 5.923 1.00 0.00 H new HETATM 0 H5 NAG A 178 10.226 -2.011 4.093 1.00 0.00 H new HETATM 0 H4 NAG A 178 11.682 -1.738 6.699 1.00 0.00 H new HETATM 0 H3 NAG A 178 12.827 -1.898 3.901 1.00 0.00 H new HETATM 0 H2 NAG A 178 12.729 0.501 5.748 1.00 0.00 H new HETATM 1410 C1 NAG A 179 11.106 -4.232 6.545 1.00 0.00 C HETATM 1411 C2 NAG A 179 10.494 -5.495 5.950 1.00 0.00 C HETATM 1412 C3 NAG A 179 9.998 -6.408 7.056 1.00 0.00 C HETATM 1413 C4 NAG A 179 11.109 -6.687 8.043 1.00 0.00 C HETATM 1414 C5 NAG A 179 11.708 -5.393 8.569 1.00 0.00 C HETATM 1415 C6 NAG A 179 12.921 -5.639 9.444 1.00 0.00 C HETATM 1416 C7 NAG A 179 8.164 -5.624 5.232 1.00 0.00 C HETATM 1417 C8 NAG A 179 7.134 -5.287 4.166 1.00 0.00 C HETATM 1418 N2 NAG A 179 9.391 -5.121 5.070 1.00 0.00 N HETATM 1419 O3 NAG A 179 9.563 -7.636 6.486 1.00 0.00 O HETATM 1420 O4 NAG A 179 10.579 -7.430 9.151 1.00 0.00 O HETATM 1421 O5 NAG A 179 12.146 -4.539 7.488 1.00 0.00 O HETATM 1422 O6 NAG A 179 13.944 -6.318 8.731 1.00 0.00 O HETATM 1423 O7 NAG A 179 7.836 -6.326 6.187 1.00 0.00 O HETATM 0 HO6 NAG A 179 13.936 -6.030 7.794 1.00 0.00 H new HETATM 0 HO3 NAG A 179 8.588 -7.625 6.391 1.00 0.00 H new HETATM 0 HN2 NAG A 179 9.561 -4.459 4.313 1.00 0.00 H new HETATM 0 H83 NAG A 179 7.003 -4.206 4.116 1.00 0.00 H new HETATM 0 H82 NAG A 179 7.477 -5.656 3.199 1.00 0.00 H new HETATM 0 H81 NAG A 179 6.183 -5.756 4.418 1.00 0.00 H new HETATM 0 H62 NAG A 179 13.303 -4.688 9.815 1.00 0.00 H new HETATM 0 H61 NAG A 179 12.630 -6.227 10.315 1.00 0.00 H new HETATM 0 H5 NAG A 179 10.914 -4.920 9.147 1.00 0.00 H new HETATM 0 H4 NAG A 179 11.887 -7.255 7.533 1.00 0.00 H new HETATM 0 H3 NAG A 179 9.173 -5.921 7.576 1.00 0.00 H new HETATM 0 H2 NAG A 179 11.250 -6.031 5.377 1.00 0.00 H new HETATM 1437 C1 BMA A 180 11.218 -8.619 9.433 1.00 0.00 C HETATM 1438 C2 BMA A 180 10.996 -8.975 10.891 1.00 0.00 C HETATM 1439 C3 BMA A 180 11.609 -10.332 11.201 1.00 0.00 C HETATM 1440 C4 BMA A 180 11.109 -11.374 10.213 1.00 0.00 C HETATM 1441 C5 BMA A 180 11.319 -10.902 8.781 1.00 0.00 C HETATM 1442 C6 BMA A 180 10.731 -11.858 7.761 1.00 0.00 C HETATM 1443 O2 BMA A 180 9.601 -9.021 11.152 1.00 0.00 O HETATM 1444 O3 BMA A 180 11.242 -10.732 12.537 1.00 0.00 O HETATM 1445 O4 BMA A 180 11.823 -12.584 10.410 1.00 0.00 O HETATM 1446 O5 BMA A 180 10.695 -9.625 8.561 1.00 0.00 O HETATM 1447 O6 BMA A 180 9.290 -11.855 7.833 1.00 0.00 O HETATM 0 HO4 BMA A 180 11.251 -13.344 10.174 1.00 0.00 H new HETATM 0 HO2 BMA A 180 9.140 -8.368 10.585 1.00 0.00 H new HETATM 0 H62 BMA A 180 11.051 -11.571 6.759 1.00 0.00 H new HETATM 0 H61 BMA A 180 11.107 -12.865 7.940 1.00 0.00 H new HETATM 0 H5 BMA A 180 12.400 -10.843 8.651 1.00 0.00 H new HETATM 0 H4 BMA A 180 10.043 -11.531 10.380 1.00 0.00 H new HETATM 0 H3 BMA A 180 12.693 -10.255 11.121 1.00 0.00 H new HETATM 0 H2 BMA A 180 11.470 -8.220 11.518 1.00 0.00 H new HETATM 1457 C1 MAN A 181 12.314 -10.890 13.424 1.00 0.00 C HETATM 1458 C2 MAN A 181 13.228 -11.986 12.900 1.00 0.00 C HETATM 1459 C3 MAN A 181 12.559 -13.349 12.995 1.00 0.00 C HETATM 1460 C4 MAN A 181 12.059 -13.599 14.405 1.00 0.00 C HETATM 1461 C5 MAN A 181 11.173 -12.452 14.866 1.00 0.00 C HETATM 1462 C6 MAN A 181 10.770 -12.589 16.321 1.00 0.00 C HETATM 1463 O2 MAN A 181 14.422 -11.996 13.699 1.00 0.00 O HETATM 1464 O3 MAN A 181 13.502 -14.355 12.650 1.00 0.00 O HETATM 1465 O4 MAN A 181 11.311 -14.807 14.427 1.00 0.00 O HETATM 1466 O5 MAN A 181 11.856 -11.189 14.742 1.00 0.00 O HETATM 1467 O6 MAN A 181 9.944 -11.510 16.731 1.00 0.00 O HETATM 0 HO6 MAN A 181 10.214 -10.694 16.261 1.00 0.00 H new HETATM 0 HO4 MAN A 181 11.259 -15.143 15.346 1.00 0.00 H new HETATM 0 HO3 MAN A 181 14.228 -13.957 12.125 1.00 0.00 H new HETATM 0 H62 MAN A 181 10.241 -13.531 16.467 1.00 0.00 H new HETATM 0 H61 MAN A 181 11.662 -12.625 16.946 1.00 0.00 H new HETATM 0 H5 MAN A 181 10.290 -12.488 14.228 1.00 0.00 H new HETATM 0 H4 MAN A 181 12.915 -13.675 15.076 1.00 0.00 H new HETATM 0 H3 MAN A 181 11.711 -13.375 12.311 1.00 0.00 H new HETATM 0 H2 MAN A 181 13.456 -11.788 11.853 1.00 0.00 H new HETATM 1478 C1 MAN A 182 8.809 -12.907 8.619 1.00 0.00 C HETATM 1479 C2 MAN A 182 7.682 -13.608 7.867 1.00 0.00 C HETATM 1480 C3 MAN A 182 6.461 -12.707 7.761 1.00 0.00 C HETATM 1481 C4 MAN A 182 6.053 -12.215 9.138 1.00 0.00 C HETATM 1482 C5 MAN A 182 7.231 -11.549 9.833 1.00 0.00 C HETATM 1483 C6 MAN A 182 6.913 -11.154 11.260 1.00 0.00 C HETATM 1484 O2 MAN A 182 7.316 -14.793 8.593 1.00 0.00 O HETATM 1485 O3 MAN A 182 5.388 -13.440 7.187 1.00 0.00 O HETATM 1486 O4 MAN A 182 4.991 -11.279 9.009 1.00 0.00 O HETATM 1487 O5 MAN A 182 8.362 -12.438 9.890 1.00 0.00 O HETATM 1488 O6 MAN A 182 5.839 -10.226 11.311 1.00 0.00 O HETATM 0 HO6 MAN A 182 5.654 -9.990 12.244 1.00 0.00 H new HETATM 0 HO4 MAN A 182 4.952 -10.717 9.811 1.00 0.00 H new HETATM 0 HO3 MAN A 182 5.498 -14.393 7.388 1.00 0.00 H new HETATM 0 H62 MAN A 182 6.657 -12.042 11.837 1.00 0.00 H new HETATM 0 H61 MAN A 182 7.797 -10.717 11.724 1.00 0.00 H new HETATM 0 H5 MAN A 182 7.454 -10.659 9.245 1.00 0.00 H new HETATM 0 H4 MAN A 182 5.727 -13.067 9.735 1.00 0.00 H new HETATM 0 H3 MAN A 182 6.703 -11.849 7.134 1.00 0.00 H new HETATM 0 H2 MAN A 182 8.027 -13.854 6.863 1.00 0.00 H new HETATM 1499 C1 NAG A 183 7.798 -16.001 8.117 1.00 0.00 C HETATM 1500 C2 NAG A 183 7.394 -17.101 9.099 1.00 0.00 C HETATM 1501 C3 NAG A 183 7.841 -18.456 8.572 1.00 0.00 C HETATM 1502 C4 NAG A 183 7.308 -18.673 7.170 1.00 0.00 C HETATM 1503 C5 NAG A 183 7.662 -17.495 6.273 1.00 0.00 C HETATM 1504 C6 NAG A 183 7.020 -17.601 4.904 1.00 0.00 C HETATM 1505 C7 NAG A 183 8.961 -17.614 10.894 1.00 0.00 C HETATM 1506 C8 NAG A 183 9.732 -17.084 12.090 1.00 0.00 C HETATM 1507 N2 NAG A 183 8.014 -16.822 10.388 1.00 0.00 N HETATM 1508 O3 NAG A 183 7.341 -19.480 9.421 1.00 0.00 O HETATM 1509 O4 NAG A 183 7.892 -19.870 6.625 1.00 0.00 O HETATM 1510 O5 NAG A 183 7.209 -16.252 6.846 1.00 0.00 O HETATM 1511 O6 NAG A 183 7.317 -16.465 4.109 1.00 0.00 O HETATM 1512 O7 NAG A 183 9.221 -18.732 10.452 1.00 0.00 O HETATM 0 HO6 NAG A 183 7.329 -15.664 4.674 1.00 0.00 H new HETATM 0 HO3 NAG A 183 6.674 -20.010 8.937 1.00 0.00 H new HETATM 0 HN2 NAG A 183 7.717 -16.001 10.916 1.00 0.00 H new HETATM 0 H83 NAG A 183 10.238 -16.159 11.815 1.00 0.00 H new HETATM 0 H82 NAG A 183 9.042 -16.890 12.911 1.00 0.00 H new HETATM 0 H81 NAG A 183 10.470 -17.822 12.403 1.00 0.00 H new HETATM 0 H62 NAG A 183 7.374 -18.502 4.402 1.00 0.00 H new HETATM 0 H61 NAG A 183 5.940 -17.700 5.013 1.00 0.00 H new HETATM 0 H5 NAG A 183 8.748 -17.516 6.180 1.00 0.00 H new HETATM 0 H4 NAG A 183 6.223 -18.766 7.217 1.00 0.00 H new HETATM 0 H3 NAG A 183 8.930 -18.486 8.551 1.00 0.00 H new HETATM 0 H2 NAG A 183 6.310 -17.123 9.214 1.00 0.00 H new HETATM 1526 C1 NAG A 184 15.616 -11.917 13.011 1.00 0.00 C HETATM 1527 C2 NAG A 184 16.773 -11.900 14.013 1.00 0.00 C HETATM 1528 C3 NAG A 184 18.104 -11.950 13.287 1.00 0.00 C HETATM 1529 C4 NAG A 184 18.136 -13.129 12.337 1.00 0.00 C HETATM 1530 C5 NAG A 184 16.931 -13.097 11.409 1.00 0.00 C HETATM 1531 C6 NAG A 184 16.860 -14.318 10.517 1.00 0.00 C HETATM 1532 C7 NAG A 184 16.688 -9.500 14.193 1.00 0.00 C HETATM 1533 C8 NAG A 184 16.431 -8.276 15.057 1.00 0.00 C HETATM 1534 N2 NAG A 184 16.702 -10.684 14.798 1.00 0.00 N HETATM 1535 O3 NAG A 184 19.151 -12.083 14.238 1.00 0.00 O HETATM 1536 O4 NAG A 184 19.341 -13.073 11.549 1.00 0.00 O HETATM 1537 O5 NAG A 184 15.703 -13.062 12.162 1.00 0.00 O HETATM 1538 O6 NAG A 184 15.721 -14.270 9.670 1.00 0.00 O HETATM 1539 O7 NAG A 184 16.874 -9.368 12.983 1.00 0.00 O HETATM 0 HO6 NAG A 184 15.010 -13.757 10.107 1.00 0.00 H new HETATM 0 HO3 NAG A 184 19.998 -11.803 13.833 1.00 0.00 H new HETATM 0 HN2 NAG A 184 16.663 -10.736 15.816 1.00 0.00 H new HETATM 0 H83 NAG A 184 15.456 -8.367 15.536 1.00 0.00 H new HETATM 0 H82 NAG A 184 17.205 -8.201 15.821 1.00 0.00 H new HETATM 0 H81 NAG A 184 16.447 -7.381 14.435 1.00 0.00 H new HETATM 0 H62 NAG A 184 17.764 -14.382 9.912 1.00 0.00 H new HETATM 0 H61 NAG A 184 16.822 -15.218 11.131 1.00 0.00 H new HETATM 0 H5 NAG A 184 17.051 -12.200 10.802 1.00 0.00 H new HETATM 0 H4 NAG A 184 18.111 -14.050 12.919 1.00 0.00 H new HETATM 0 H3 NAG A 184 18.235 -11.031 12.716 1.00 0.00 H new HETATM 0 H2 NAG A 184 16.693 -12.772 14.662 1.00 0.00 H new HETATM 1553 C1 GAL A 185 20.432 -13.786 12.026 1.00 0.00 C HETATM 1554 C2 GAL A 185 20.168 -15.284 11.915 1.00 0.00 C HETATM 1555 C3 GAL A 185 21.402 -16.073 12.313 1.00 0.00 C HETATM 1556 C4 GAL A 185 22.617 -15.594 11.540 1.00 0.00 C HETATM 1557 C5 GAL A 185 22.770 -14.083 11.667 1.00 0.00 C HETATM 1558 C6 GAL A 185 23.897 -13.545 10.810 1.00 0.00 C HETATM 1559 O2 GAL A 185 19.097 -15.641 12.773 1.00 0.00 O HETATM 1560 O3 GAL A 185 21.186 -17.449 12.035 1.00 0.00 O HETATM 1561 O4 GAL A 185 22.460 -15.934 10.170 1.00 0.00 O HETATM 1562 O5 GAL A 185 21.573 -13.404 11.248 1.00 0.00 O HETATM 1563 O6 GAL A 185 24.019 -12.136 10.944 1.00 0.00 O HETATM 0 HO6 GAL A 185 23.132 -11.742 11.081 1.00 0.00 H new HETATM 0 HO4 GAL A 185 22.022 -15.195 9.698 1.00 0.00 H new HETATM 0 HO3 GAL A 185 21.522 -17.658 11.139 1.00 0.00 H new HETATM 0 HO2 GAL A 185 19.298 -15.348 13.686 1.00 0.00 H new HETATM 0 H62 GAL A 185 24.834 -14.022 11.096 1.00 0.00 H new HETATM 0 H61 GAL A 185 23.716 -13.799 9.766 1.00 0.00 H new HETATM 0 H5 GAL A 185 22.981 -13.899 12.720 1.00 0.00 H new HETATM 0 H4 GAL A 185 23.507 -16.073 11.948 1.00 0.00 H new HETATM 0 H3 GAL A 185 21.583 -15.926 13.378 1.00 0.00 H new HETATM 0 H2 GAL A 185 19.914 -15.516 10.881 1.00 0.00 H new HETATM 1575 C1 GAL A 186 7.087 -20.997 6.622 1.00 0.00 C HETATM 1576 C2 GAL A 186 7.845 -22.161 5.999 1.00 0.00 C HETATM 1577 C3 GAL A 186 7.032 -23.438 6.094 1.00 0.00 C HETATM 1578 C4 GAL A 186 6.580 -23.674 7.523 1.00 0.00 C HETATM 1579 C5 GAL A 186 5.872 -22.444 8.073 1.00 0.00 C HETATM 1580 C6 GAL A 186 5.505 -22.595 9.535 1.00 0.00 C HETATM 1581 O2 GAL A 186 8.098 -21.871 4.632 1.00 0.00 O HETATM 1582 O3 GAL A 186 7.831 -24.532 5.670 1.00 0.00 O HETATM 1583 O4 GAL A 186 7.716 -23.954 8.327 1.00 0.00 O HETATM 1584 O5 GAL A 186 6.713 -21.280 7.976 1.00 0.00 O HETATM 1585 O6 GAL A 186 4.841 -21.438 10.019 1.00 0.00 O HETATM 0 HO6 GAL A 186 4.614 -21.562 10.964 1.00 0.00 H new HETATM 0 HO4 GAL A 186 8.062 -23.119 8.706 1.00 0.00 H new HETATM 0 HO3 GAL A 186 8.342 -24.878 6.431 1.00 0.00 H new HETATM 0 HO2 GAL A 186 8.134 -20.900 4.505 1.00 0.00 H new HETATM 0 H62 GAL A 186 4.863 -23.467 9.663 1.00 0.00 H new HETATM 0 H61 GAL A 186 6.406 -22.773 10.122 1.00 0.00 H new HETATM 0 H5 GAL A 186 4.969 -22.333 7.473 1.00 0.00 H new HETATM 0 H4 GAL A 186 5.886 -24.514 7.538 1.00 0.00 H new HETATM 0 H3 GAL A 186 6.153 -23.345 5.457 1.00 0.00 H new HETATM 0 H2 GAL A 186 8.783 -22.300 6.537 1.00 0.00 H new