USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O6 : rot 34:sc= 1.07 USER MOD Set 1.2: A 185 GAL O2 : rot 105:sc= -2.29! USER MOD Set 2.1: A 85 SER OG : rot 180:sc= -0.985! USER MOD Set 2.2: A 86 THR OG1 : rot 71:sc= 0.0643 USER MOD Set 3.1: A 63 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.0922 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.82) USER MOD Single : A 11 THR OG1 : rot 102:sc= -1.42! USER MOD Single : A 13 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.4!) USER MOD Single : A 15 ASN : amide:sc= -13.8! C(o=-14!,f=-19!) USER MOD Single : A 19 SER OG : rot 59:sc= 1.2 USER MOD Single : A 20 GLN : amide:sc= -1.94! K(o=-1.9!,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.66) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -47:sc= 0.944 USER MOD Single : A 43 SER OG : rot 180:sc= 0 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= 0.00103 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) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.21! USER MOD Single : A 55 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 57 SER OG : rot 171:sc= -0.686 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 64 SER OG : rot 14:sc= 0.0108 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00436 K(o=-0.0044,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 71 MET CE :methyl -143:sc= -0.462 (180deg=-1.89!) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.187 (180deg=-0.812) USER MOD Single : A 79 HIS : no HD1:sc= -20.7! C(o=-21!,f=-23!) USER MOD Single : A 80 THR OG1 : rot 168:sc= -4.98! USER MOD Single : A 83 HIS : no HD1:sc= -4.78! K(o=-4.8!,f=-2.2) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -0.466 K(o=-0.47,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.185) USER MOD Single : A 92 SER OG : rot 56:sc= 0.143 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0234 USER MOD Single : A 179 NAG O3 : rot 15:sc= -0.244 USER MOD Single : A 179 NAG O6 : rot 32:sc= 0.0114 USER MOD Single : A 180 BMA O2 : rot -26:sc= 0.0835 USER MOD Single : A 180 BMA O4 : rot -145:sc= 1.1 USER MOD Single : A 181 MAN O3 : rot 24:sc= 0.0763 USER MOD Single : A 181 MAN O4 : rot -153:sc= 0.984 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.838 USER MOD Single : A 182 MAN O3 : rot 24:sc= 0.0507 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 30:sc= 0.00532 USER MOD Single : A 183 NAG O3 : rot 128:sc= 1.03 USER MOD Single : A 183 NAG O6 : rot 25:sc= 0.00886 USER MOD Single : A 184 NAG O3 : rot -160:sc= 0 USER MOD Single : A 185 GAL O3 : rot 92:sc= 0.0731 USER MOD Single : A 185 GAL O4 : rot 159:sc= 1.1 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.854 USER MOD Single : A 186 GAL O2 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 86:sc= 0.0869 USER MOD Single : A 186 GAL O4 : rot 122:sc= 1.18 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.933 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.105 -18.444 -15.390 1.00 0.00 N ATOM 2 CA ALA A 1 -11.855 -19.258 -14.398 1.00 0.00 C ATOM 3 C ALA A 1 -12.480 -18.371 -13.327 1.00 0.00 C ATOM 4 O ALA A 1 -12.166 -17.185 -13.227 1.00 0.00 O ATOM 5 CB ALA A 1 -10.937 -20.289 -13.762 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.563 -18.522 -16.320 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.099 -17.449 -15.089 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.127 -18.791 -15.456 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.659 -19.777 -14.920 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.499 -20.879 -13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.539 -20.947 -14.534 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.115 -19.782 -13.258 1.00 0.00 H new ATOM 13 N PRO A 2 -13.378 -18.940 -12.509 1.00 0.00 N ATOM 14 CA PRO A 2 -14.055 -18.205 -11.436 1.00 0.00 C ATOM 15 C PRO A 2 -13.083 -17.753 -10.353 1.00 0.00 C ATOM 16 O PRO A 2 -11.886 -17.617 -10.606 1.00 0.00 O ATOM 17 CB PRO A 2 -15.053 -19.222 -10.864 1.00 0.00 C ATOM 18 CG PRO A 2 -15.140 -20.310 -11.882 1.00 0.00 C ATOM 19 CD PRO A 2 -13.803 -20.343 -12.563 1.00 0.00 C ATOM 0 HA PRO A 2 -14.527 -17.295 -11.805 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.712 -19.609 -9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.027 -18.764 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.363 -21.268 -11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.938 -20.113 -12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.102 -20.999 -12.047 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.880 -20.703 -13.589 1.00 0.00 H new ATOM 27 N ASP A 3 -13.610 -17.527 -9.151 1.00 0.00 N ATOM 28 CA ASP A 3 -12.804 -17.091 -8.008 1.00 0.00 C ATOM 29 C ASP A 3 -11.355 -16.826 -8.408 1.00 0.00 C ATOM 30 O ASP A 3 -10.607 -17.755 -8.722 1.00 0.00 O ATOM 31 CB ASP A 3 -12.852 -18.143 -6.901 1.00 0.00 C ATOM 32 CG ASP A 3 -13.487 -17.615 -5.630 1.00 0.00 C ATOM 33 OD1 ASP A 3 -13.493 -16.381 -5.438 1.00 0.00 O ATOM 34 OD2 ASP A 3 -13.981 -18.436 -4.828 1.00 0.00 O ATOM 0 H ASP A 3 -14.602 -17.640 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.227 -16.156 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.413 -19.010 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.840 -18.484 -6.684 1.00 0.00 H new ATOM 39 N VAL A 4 -10.966 -15.556 -8.401 1.00 0.00 N ATOM 40 CA VAL A 4 -9.611 -15.168 -8.772 1.00 0.00 C ATOM 41 C VAL A 4 -8.740 -14.908 -7.546 1.00 0.00 C ATOM 42 O VAL A 4 -9.207 -14.389 -6.533 1.00 0.00 O ATOM 43 CB VAL A 4 -9.613 -13.908 -9.657 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.191 -13.446 -9.942 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.367 -14.172 -10.952 1.00 0.00 C ATOM 0 H VAL A 4 -11.571 -14.777 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.194 -16.005 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.124 -13.109 -9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.217 -12.555 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.688 -13.215 -9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.648 -14.237 -10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.360 -13.272 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.885 -14.986 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.397 -14.447 -10.724 1.00 0.00 H new ATOM 55 N GLN A 5 -7.465 -15.266 -7.658 1.00 0.00 N ATOM 56 CA GLN A 5 -6.506 -15.071 -6.576 1.00 0.00 C ATOM 57 C GLN A 5 -5.197 -14.522 -7.128 1.00 0.00 C ATOM 58 O GLN A 5 -4.114 -14.880 -6.663 1.00 0.00 O ATOM 59 CB GLN A 5 -6.253 -16.388 -5.841 1.00 0.00 C ATOM 60 CG GLN A 5 -6.087 -16.221 -4.339 1.00 0.00 C ATOM 61 CD GLN A 5 -5.023 -15.201 -3.981 1.00 0.00 C ATOM 62 OE1 GLN A 5 -5.320 -14.027 -3.765 1.00 0.00 O ATOM 63 NE2 GLN A 5 -3.773 -15.647 -3.919 1.00 0.00 N ATOM 0 H GLN A 5 -7.070 -15.696 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.922 -14.353 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.083 -17.068 -6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.357 -16.856 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.039 -15.916 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.827 -17.183 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.572 -16.629 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.014 -15.007 -3.685 1.00 0.00 H new ATOM 72 N ASP A 6 -5.309 -13.659 -8.130 1.00 0.00 N ATOM 73 CA ASP A 6 -4.141 -13.061 -8.767 1.00 0.00 C ATOM 74 C ASP A 6 -3.221 -12.404 -7.743 1.00 0.00 C ATOM 75 O ASP A 6 -3.250 -12.737 -6.558 1.00 0.00 O ATOM 76 CB ASP A 6 -4.578 -12.030 -9.810 1.00 0.00 C ATOM 77 CG ASP A 6 -3.883 -12.224 -11.143 1.00 0.00 C ATOM 78 OD1 ASP A 6 -4.320 -13.099 -11.918 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.902 -11.498 -11.412 1.00 0.00 O ATOM 0 H ASP A 6 -6.201 -13.356 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.585 -13.860 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.657 -12.097 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.367 -11.028 -9.436 1.00 0.00 H new ATOM 84 N CYS A 7 -2.399 -11.473 -8.223 1.00 0.00 N ATOM 85 CA CYS A 7 -1.449 -10.756 -7.376 1.00 0.00 C ATOM 86 C CYS A 7 -1.904 -10.715 -5.920 1.00 0.00 C ATOM 87 O CYS A 7 -3.096 -10.623 -5.628 1.00 0.00 O ATOM 88 CB CYS A 7 -1.250 -9.331 -7.895 1.00 0.00 C ATOM 89 SG CYS A 7 -2.760 -8.567 -8.568 1.00 0.00 S ATOM 0 H CYS A 7 -2.373 -11.196 -9.204 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.503 -11.296 -7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.872 -8.710 -7.083 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.484 -9.342 -8.671 1.00 0.00 H new ATOM 94 N PRO A 8 -0.939 -10.782 -4.988 1.00 0.00 N ATOM 95 CA PRO A 8 -1.212 -10.753 -3.547 1.00 0.00 C ATOM 96 C PRO A 8 -1.968 -9.496 -3.120 1.00 0.00 C ATOM 97 O PRO A 8 -2.637 -8.856 -3.932 1.00 0.00 O ATOM 98 CB PRO A 8 0.183 -10.779 -2.907 1.00 0.00 C ATOM 99 CG PRO A 8 1.128 -10.405 -4.000 1.00 0.00 C ATOM 100 CD PRO A 8 0.498 -10.889 -5.273 1.00 0.00 C ATOM 0 HA PRO A 8 -1.847 -11.585 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.247 -10.077 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.414 -11.767 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.286 -9.327 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.104 -10.866 -3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.788 -10.275 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.789 -11.914 -5.504 1.00 0.00 H new ATOM 108 N GLU A 9 -1.860 -9.155 -1.838 1.00 0.00 N ATOM 109 CA GLU A 9 -2.535 -7.981 -1.297 1.00 0.00 C ATOM 110 C GLU A 9 -1.655 -6.736 -1.403 1.00 0.00 C ATOM 111 O GLU A 9 -0.488 -6.750 -1.012 1.00 0.00 O ATOM 112 CB GLU A 9 -2.930 -8.222 0.161 1.00 0.00 C ATOM 113 CG GLU A 9 -3.179 -6.944 0.946 1.00 0.00 C ATOM 114 CD GLU A 9 -4.396 -7.042 1.845 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.693 -8.156 2.325 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.054 -6.003 2.069 1.00 0.00 O ATOM 0 H GLU A 9 -1.311 -9.677 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.435 -7.810 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.831 -8.835 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.141 -8.792 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.302 -6.717 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.311 -6.115 0.251 1.00 0.00 H new ATOM 123 N CYS A 10 -2.232 -5.663 -1.934 1.00 0.00 N ATOM 124 CA CYS A 10 -1.521 -4.397 -2.102 1.00 0.00 C ATOM 125 C CYS A 10 -0.491 -4.179 -0.991 1.00 0.00 C ATOM 126 O CYS A 10 -0.803 -4.302 0.193 1.00 0.00 O ATOM 127 CB CYS A 10 -2.526 -3.239 -2.131 1.00 0.00 C ATOM 128 SG CYS A 10 -1.875 -1.646 -1.525 1.00 0.00 S ATOM 0 H CYS A 10 -3.199 -5.644 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.981 -4.433 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.877 -3.106 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.393 -3.514 -1.530 1.00 0.00 H new ATOM 133 N THR A 11 0.733 -3.838 -1.390 1.00 0.00 N ATOM 134 CA THR A 11 1.817 -3.580 -0.446 1.00 0.00 C ATOM 135 C THR A 11 3.004 -2.992 -1.166 1.00 0.00 C ATOM 136 O THR A 11 2.881 -2.463 -2.263 1.00 0.00 O ATOM 137 CB THR A 11 2.247 -4.846 0.299 1.00 0.00 C ATOM 138 OG1 THR A 11 3.621 -4.796 0.643 1.00 0.00 O ATOM 139 CG2 THR A 11 2.030 -6.109 -0.493 1.00 0.00 C ATOM 0 H THR A 11 0.999 -3.734 -2.369 1.00 0.00 H new ATOM 0 HA THR A 11 1.440 -2.870 0.291 1.00 0.00 H new ATOM 0 HB THR A 11 1.618 -4.874 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.713 -4.565 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.356 -6.967 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.971 -6.213 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.606 -6.062 -1.417 1.00 0.00 H new ATOM 147 N LEU A 12 4.146 -3.091 -0.528 1.00 0.00 N ATOM 148 CA LEU A 12 5.383 -2.565 -1.067 1.00 0.00 C ATOM 149 C LEU A 12 5.938 -3.423 -2.187 1.00 0.00 C ATOM 150 O LEU A 12 6.006 -4.648 -2.077 1.00 0.00 O ATOM 151 CB LEU A 12 6.419 -2.489 0.033 1.00 0.00 C ATOM 152 CG LEU A 12 6.374 -1.245 0.910 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.761 -1.576 2.263 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.776 -0.713 1.063 1.00 0.00 C ATOM 0 H LEU A 12 4.246 -3.540 0.383 1.00 0.00 H new ATOM 0 HA LEU A 12 5.162 -1.577 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.305 -3.364 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.408 -2.553 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 12 5.750 -0.481 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.735 -0.678 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.747 -1.949 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.362 -2.339 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.760 0.179 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.404 -1.472 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.178 -0.461 0.082 1.00 0.00 H new ATOM 166 N GLN A 13 6.376 -2.766 -3.246 1.00 0.00 N ATOM 167 CA GLN A 13 6.974 -3.458 -4.368 1.00 0.00 C ATOM 168 C GLN A 13 8.366 -2.937 -4.602 1.00 0.00 C ATOM 169 O GLN A 13 8.712 -2.485 -5.691 1.00 0.00 O ATOM 170 CB GLN A 13 6.149 -3.295 -5.614 1.00 0.00 C ATOM 171 CG GLN A 13 4.816 -4.005 -5.532 1.00 0.00 C ATOM 172 CD GLN A 13 4.474 -4.763 -6.798 1.00 0.00 C ATOM 173 OE1 GLN A 13 5.024 -4.496 -7.866 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.562 -5.721 -6.681 1.00 0.00 N ATOM 0 H GLN A 13 6.328 -1.753 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 13 7.016 -4.521 -4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.980 -2.234 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.708 -3.679 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.831 -4.699 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.033 -3.275 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.132 -5.908 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.292 -6.270 -7.497 1.00 0.00 H new ATOM 183 N GLU A 14 9.130 -2.987 -3.535 1.00 0.00 N ATOM 184 CA GLU A 14 10.509 -2.507 -3.518 1.00 0.00 C ATOM 185 C GLU A 14 10.943 -2.026 -4.882 1.00 0.00 C ATOM 186 O GLU A 14 10.847 -2.738 -5.883 1.00 0.00 O ATOM 187 CB GLU A 14 11.481 -3.566 -3.019 1.00 0.00 C ATOM 188 CG GLU A 14 12.933 -3.102 -3.037 1.00 0.00 C ATOM 189 CD GLU A 14 13.902 -4.233 -3.324 1.00 0.00 C ATOM 190 OE1 GLU A 14 14.321 -4.913 -2.365 1.00 0.00 O ATOM 191 OE2 GLU A 14 14.242 -4.437 -4.509 1.00 0.00 O ATOM 0 H GLU A 14 8.816 -3.364 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 14 10.531 -1.669 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.209 -3.850 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.384 -4.459 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.053 -2.325 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.179 -2.653 -2.075 1.00 0.00 H new ATOM 198 N ASN A 15 11.412 -0.804 -4.899 1.00 0.00 N ATOM 199 CA ASN A 15 11.859 -0.168 -6.116 1.00 0.00 C ATOM 200 C ASN A 15 13.031 -0.892 -6.745 1.00 0.00 C ATOM 201 O ASN A 15 14.165 -0.777 -6.282 1.00 0.00 O ATOM 202 CB ASN A 15 12.240 1.274 -5.855 1.00 0.00 C ATOM 203 CG ASN A 15 11.586 2.204 -6.847 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.190 2.597 -7.845 1.00 0.00 O ATOM 205 ND2 ASN A 15 10.339 2.547 -6.582 1.00 0.00 N ATOM 0 H ASN A 15 11.496 -0.219 -4.068 1.00 0.00 H new ATOM 0 HA ASN A 15 11.024 -0.207 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.945 1.553 -4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.323 1.382 -5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.834 3.164 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.881 2.195 -5.741 1.00 0.00 H new ATOM 212 N PRO A 16 12.785 -1.611 -7.846 1.00 0.00 N ATOM 213 CA PRO A 16 13.831 -2.307 -8.574 1.00 0.00 C ATOM 214 C PRO A 16 14.616 -1.310 -9.405 1.00 0.00 C ATOM 215 O PRO A 16 15.416 -1.672 -10.268 1.00 0.00 O ATOM 216 CB PRO A 16 13.069 -3.294 -9.475 1.00 0.00 C ATOM 217 CG PRO A 16 11.613 -3.101 -9.170 1.00 0.00 C ATOM 218 CD PRO A 16 11.485 -1.760 -8.501 1.00 0.00 C ATOM 0 HA PRO A 16 14.546 -2.814 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.275 -3.099 -10.527 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.376 -4.321 -9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.019 -3.136 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.245 -3.895 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.299 -0.963 -9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.664 -1.740 -7.784 1.00 0.00 H new ATOM 226 N PHE A 17 14.349 -0.041 -9.125 1.00 0.00 N ATOM 227 CA PHE A 17 14.975 1.072 -9.813 1.00 0.00 C ATOM 228 C PHE A 17 16.003 1.761 -8.928 1.00 0.00 C ATOM 229 O PHE A 17 17.186 1.834 -9.257 1.00 0.00 O ATOM 230 CB PHE A 17 13.899 2.085 -10.201 1.00 0.00 C ATOM 231 CG PHE A 17 14.252 2.902 -11.403 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.440 3.612 -11.451 1.00 0.00 C ATOM 233 CD2 PHE A 17 13.397 2.951 -12.488 1.00 0.00 C ATOM 234 CE1 PHE A 17 15.767 4.362 -12.567 1.00 0.00 C ATOM 235 CE2 PHE A 17 13.717 3.696 -13.606 1.00 0.00 C ATOM 236 CZ PHE A 17 14.905 4.403 -13.647 1.00 0.00 C ATOM 0 H PHE A 17 13.684 0.244 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 17 15.483 0.688 -10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.966 1.556 -10.393 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.719 2.752 -9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.117 3.580 -10.610 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.468 2.400 -12.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 16.694 4.915 -12.594 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.040 3.726 -14.447 1.00 0.00 H new ATOM 0 HZ PHE A 17 15.159 4.986 -14.520 1.00 0.00 H new ATOM 246 N PHE A 18 15.522 2.286 -7.810 1.00 0.00 N ATOM 247 CA PHE A 18 16.364 3.004 -6.865 1.00 0.00 C ATOM 248 C PHE A 18 17.115 2.052 -5.943 1.00 0.00 C ATOM 249 O PHE A 18 17.920 2.481 -5.119 1.00 0.00 O ATOM 250 CB PHE A 18 15.501 3.955 -6.043 1.00 0.00 C ATOM 251 CG PHE A 18 14.407 4.597 -6.845 1.00 0.00 C ATOM 252 CD1 PHE A 18 14.708 5.329 -7.977 1.00 0.00 C ATOM 253 CD2 PHE A 18 13.082 4.471 -6.465 1.00 0.00 C ATOM 254 CE1 PHE A 18 13.708 5.925 -8.722 1.00 0.00 C ATOM 255 CE2 PHE A 18 12.076 5.065 -7.205 1.00 0.00 C ATOM 256 CZ PHE A 18 12.390 5.792 -8.335 1.00 0.00 C ATOM 0 H PHE A 18 14.542 2.227 -7.534 1.00 0.00 H new ATOM 0 HA PHE A 18 17.107 3.568 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.060 3.408 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.134 4.732 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.738 5.437 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.831 3.903 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.958 6.494 -9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.046 4.960 -6.899 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.606 6.256 -8.915 1.00 0.00 H new ATOM 266 N SER A 19 16.849 0.760 -6.086 1.00 0.00 N ATOM 267 CA SER A 19 17.506 -0.239 -5.257 1.00 0.00 C ATOM 268 C SER A 19 19.018 -0.168 -5.424 1.00 0.00 C ATOM 269 O SER A 19 19.593 -0.840 -6.280 1.00 0.00 O ATOM 270 CB SER A 19 17.005 -1.641 -5.603 1.00 0.00 C ATOM 271 OG SER A 19 17.517 -2.073 -6.851 1.00 0.00 O ATOM 0 H SER A 19 16.187 0.382 -6.764 1.00 0.00 H new ATOM 0 HA SER A 19 17.261 -0.028 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.304 -2.340 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.915 -1.644 -5.633 1.00 0.00 H new ATOM 0 HG SER A 19 18.497 -2.073 -6.820 1.00 0.00 H new ATOM 277 N GLN A 20 19.657 0.649 -4.593 1.00 0.00 N ATOM 278 CA GLN A 20 21.101 0.809 -4.638 1.00 0.00 C ATOM 279 C GLN A 20 21.766 -0.227 -3.743 1.00 0.00 C ATOM 280 O GLN A 20 21.104 -0.860 -2.922 1.00 0.00 O ATOM 281 CB GLN A 20 21.482 2.228 -4.193 1.00 0.00 C ATOM 282 CG GLN A 20 22.311 2.281 -2.918 1.00 0.00 C ATOM 283 CD GLN A 20 22.489 3.695 -2.402 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.561 4.287 -2.537 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.438 4.244 -1.807 1.00 0.00 N ATOM 0 H GLN A 20 19.193 1.211 -3.879 1.00 0.00 H new ATOM 0 HA GLN A 20 21.448 0.659 -5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.039 2.711 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.571 2.807 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.830 1.675 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.290 1.840 -3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.570 3.717 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.498 5.194 -1.439 1.00 0.00 H new ATOM 294 N PRO A 21 23.085 -0.412 -3.884 1.00 0.00 N ATOM 295 CA PRO A 21 23.832 -1.375 -3.073 1.00 0.00 C ATOM 296 C PRO A 21 23.760 -1.030 -1.592 1.00 0.00 C ATOM 297 O PRO A 21 24.781 -0.803 -0.942 1.00 0.00 O ATOM 298 CB PRO A 21 25.271 -1.252 -3.589 1.00 0.00 C ATOM 299 CG PRO A 21 25.324 0.071 -4.276 1.00 0.00 C ATOM 300 CD PRO A 21 23.950 0.301 -4.835 1.00 0.00 C ATOM 0 HA PRO A 21 23.433 -2.386 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.989 -1.301 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.515 -2.063 -4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 21 25.599 0.862 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 21 26.073 0.070 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.707 1.362 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.853 -0.096 -5.845 1.00 0.00 H new ATOM 308 N GLY A 22 22.540 -0.985 -1.068 1.00 0.00 N ATOM 309 CA GLY A 22 22.339 -0.658 0.328 1.00 0.00 C ATOM 310 C GLY A 22 20.948 -0.130 0.608 1.00 0.00 C ATOM 311 O GLY A 22 20.520 -0.082 1.762 1.00 0.00 O ATOM 0 H GLY A 22 21.684 -1.171 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 22 22.515 -1.546 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 22 23.074 0.087 0.632 1.00 0.00 H new ATOM 315 N ALA A 23 20.240 0.281 -0.441 1.00 0.00 N ATOM 316 CA ALA A 23 18.898 0.819 -0.275 1.00 0.00 C ATOM 317 C ALA A 23 17.988 0.454 -1.432 1.00 0.00 C ATOM 318 O ALA A 23 18.137 0.935 -2.555 1.00 0.00 O ATOM 319 CB ALA A 23 18.970 2.323 -0.092 1.00 0.00 C ATOM 0 H ALA A 23 20.571 0.251 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 23 18.462 0.369 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.964 2.723 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.564 2.554 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.434 2.774 -0.969 1.00 0.00 H new ATOM 325 N PRO A 24 17.038 -0.434 -1.141 1.00 0.00 N ATOM 326 CA PRO A 24 16.068 -0.947 -2.083 1.00 0.00 C ATOM 327 C PRO A 24 14.694 -0.304 -1.947 1.00 0.00 C ATOM 328 O PRO A 24 13.783 -0.879 -1.358 1.00 0.00 O ATOM 329 CB PRO A 24 16.021 -2.407 -1.660 1.00 0.00 C ATOM 330 CG PRO A 24 16.236 -2.385 -0.173 1.00 0.00 C ATOM 331 CD PRO A 24 16.844 -1.050 0.167 1.00 0.00 C ATOM 0 HA PRO A 24 16.336 -0.760 -3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.063 -2.861 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.794 -2.989 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.292 -2.524 0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.895 -3.198 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.184 -0.455 0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.786 -1.161 0.704 1.00 0.00 H new ATOM 339 N ILE A 25 14.569 0.896 -2.493 1.00 0.00 N ATOM 340 CA ILE A 25 13.341 1.656 -2.462 1.00 0.00 C ATOM 341 C ILE A 25 12.096 0.812 -2.659 1.00 0.00 C ATOM 342 O ILE A 25 12.157 -0.415 -2.689 1.00 0.00 O ATOM 343 CB ILE A 25 13.414 2.758 -3.519 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.472 3.736 -3.086 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.084 3.463 -3.647 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.448 3.926 -1.594 1.00 0.00 C ATOM 0 H ILE A 25 15.332 1.371 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 25 13.250 2.084 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 25 13.658 2.328 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.454 3.377 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.312 4.694 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.157 4.244 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.318 2.745 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.816 3.910 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.222 4.637 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.473 4.308 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.632 2.971 -1.103 1.00 0.00 H new ATOM 358 N LEU A 26 10.947 1.487 -2.715 1.00 0.00 N ATOM 359 CA LEU A 26 9.677 0.811 -2.813 1.00 0.00 C ATOM 360 C LEU A 26 8.605 1.621 -3.486 1.00 0.00 C ATOM 361 O LEU A 26 8.859 2.584 -4.207 1.00 0.00 O ATOM 362 CB LEU A 26 9.242 0.533 -1.400 1.00 0.00 C ATOM 363 CG LEU A 26 10.374 0.724 -0.421 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.872 1.209 0.919 1.00 0.00 C ATOM 365 CD2 LEU A 26 11.182 -0.551 -0.269 1.00 0.00 C ATOM 0 H LEU A 26 10.882 2.505 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 26 9.809 -0.084 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.417 1.195 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.867 -0.488 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 26 11.030 1.495 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.714 1.336 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.361 2.164 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.178 0.478 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.992 -0.386 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.536 -1.350 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.600 -0.834 -1.235 1.00 0.00 H new ATOM 377 N GLN A 27 7.393 1.195 -3.208 1.00 0.00 N ATOM 378 CA GLN A 27 6.203 1.839 -3.741 1.00 0.00 C ATOM 379 C GLN A 27 4.982 0.931 -3.627 1.00 0.00 C ATOM 380 O GLN A 27 4.559 0.309 -4.601 1.00 0.00 O ATOM 381 CB GLN A 27 6.439 2.254 -5.194 1.00 0.00 C ATOM 382 CG GLN A 27 5.172 2.641 -5.942 1.00 0.00 C ATOM 383 CD GLN A 27 5.322 2.513 -7.446 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.411 2.695 -7.990 1.00 0.00 O ATOM 385 NE2 GLN A 27 4.226 2.197 -8.126 1.00 0.00 N ATOM 0 H GLN A 27 7.200 0.394 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 27 6.002 2.732 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.131 3.096 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.923 1.432 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.349 2.009 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.907 3.668 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.344 2.055 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.266 2.096 -9.140 1.00 0.00 H new ATOM 394 N CYS A 28 4.427 0.863 -2.419 1.00 0.00 N ATOM 395 CA CYS A 28 3.252 0.042 -2.143 1.00 0.00 C ATOM 396 C CYS A 28 2.421 -0.176 -3.408 1.00 0.00 C ATOM 397 O CYS A 28 1.650 0.695 -3.809 1.00 0.00 O ATOM 398 CB CYS A 28 2.375 0.688 -1.060 1.00 0.00 C ATOM 399 SG CYS A 28 3.193 0.912 0.559 1.00 0.00 S ATOM 0 H CYS A 28 4.777 1.373 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 28 3.608 -0.924 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.038 1.661 -1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.485 0.074 -0.919 1.00 0.00 H new ATOM 404 N MET A 29 2.578 -1.342 -4.029 1.00 0.00 N ATOM 405 CA MET A 29 1.838 -1.670 -5.243 1.00 0.00 C ATOM 406 C MET A 29 1.300 -3.096 -5.185 1.00 0.00 C ATOM 407 O MET A 29 1.934 -3.985 -4.615 1.00 0.00 O ATOM 408 CB MET A 29 2.731 -1.496 -6.473 1.00 0.00 C ATOM 409 CG MET A 29 2.469 -0.209 -7.239 1.00 0.00 C ATOM 410 SD MET A 29 1.016 -0.319 -8.301 1.00 0.00 S ATOM 411 CE MET A 29 0.306 1.312 -8.077 1.00 0.00 C ATOM 0 H MET A 29 3.211 -2.075 -3.711 1.00 0.00 H new ATOM 0 HA MET A 29 0.992 -0.987 -5.319 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.775 -1.516 -6.159 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.583 -2.344 -7.142 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.337 0.610 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.341 0.032 -7.846 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.603 1.398 -8.673 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.066 1.463 -7.025 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.023 2.068 -8.397 1.00 0.00 H new ATOM 421 N GLY A 30 0.128 -3.309 -5.777 1.00 0.00 N ATOM 422 CA GLY A 30 -0.473 -4.630 -5.779 1.00 0.00 C ATOM 423 C GLY A 30 -1.951 -4.597 -6.116 1.00 0.00 C ATOM 424 O GLY A 30 -2.411 -3.710 -6.835 1.00 0.00 O ATOM 0 H GLY A 30 -0.415 -2.590 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.047 -5.260 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.337 -5.088 -4.799 1.00 0.00 H new ATOM 428 N CYS A 31 -2.695 -5.567 -5.595 1.00 0.00 N ATOM 429 CA CYS A 31 -4.131 -5.648 -5.843 1.00 0.00 C ATOM 430 C CYS A 31 -4.859 -6.240 -4.641 1.00 0.00 C ATOM 431 O CYS A 31 -5.193 -7.424 -4.629 1.00 0.00 O ATOM 432 CB CYS A 31 -4.408 -6.496 -7.087 1.00 0.00 C ATOM 433 SG CYS A 31 -3.905 -8.239 -6.925 1.00 0.00 S ATOM 0 H CYS A 31 -2.328 -6.308 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.502 -4.637 -6.009 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.474 -6.456 -7.311 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.887 -6.056 -7.937 1.00 0.00 H new ATOM 438 N CYS A 32 -5.107 -5.409 -3.635 1.00 0.00 N ATOM 439 CA CYS A 32 -5.800 -5.854 -2.432 1.00 0.00 C ATOM 440 C CYS A 32 -6.904 -6.845 -2.777 1.00 0.00 C ATOM 441 O CYS A 32 -6.710 -8.059 -2.703 1.00 0.00 O ATOM 442 CB CYS A 32 -6.395 -4.659 -1.688 1.00 0.00 C ATOM 443 SG CYS A 32 -5.586 -4.292 -0.098 1.00 0.00 S ATOM 0 H CYS A 32 -4.839 -4.425 -3.629 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.073 -6.351 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.331 -3.779 -2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.454 -4.847 -1.509 1.00 0.00 H new ATOM 448 N PHE A 33 -8.065 -6.319 -3.150 1.00 0.00 N ATOM 449 CA PHE A 33 -9.205 -7.155 -3.504 1.00 0.00 C ATOM 450 C PHE A 33 -10.239 -6.361 -4.295 1.00 0.00 C ATOM 451 O PHE A 33 -10.843 -6.876 -5.236 1.00 0.00 O ATOM 452 CB PHE A 33 -9.846 -7.736 -2.244 1.00 0.00 C ATOM 453 CG PHE A 33 -8.856 -8.355 -1.298 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.368 -9.632 -1.522 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.412 -7.658 -0.185 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.456 -10.203 -0.653 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.501 -8.223 0.686 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.022 -9.497 0.451 1.00 0.00 C ATOM 0 H PHE A 33 -8.241 -5.316 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.845 -7.971 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.388 -6.946 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.580 -8.489 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.703 -10.188 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.783 -6.661 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.084 -11.200 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.164 -7.669 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.309 -9.940 1.130 1.00 0.00 H new ATOM 468 N SER A 34 -10.436 -5.104 -3.910 1.00 0.00 N ATOM 469 CA SER A 34 -11.396 -4.238 -4.586 1.00 0.00 C ATOM 470 C SER A 34 -10.684 -3.121 -5.343 1.00 0.00 C ATOM 471 O SER A 34 -10.014 -2.280 -4.743 1.00 0.00 O ATOM 472 CB SER A 34 -12.375 -3.641 -3.574 1.00 0.00 C ATOM 473 OG SER A 34 -12.133 -4.145 -2.272 1.00 0.00 O ATOM 0 H SER A 34 -9.944 -4.662 -3.134 1.00 0.00 H new ATOM 0 HA SER A 34 -11.950 -4.842 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.282 -2.555 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.398 -3.872 -3.873 1.00 0.00 H new ATOM 0 HG SER A 34 -12.771 -3.747 -1.643 1.00 0.00 H new ATOM 479 N ARG A 35 -10.836 -3.115 -6.666 1.00 0.00 N ATOM 480 CA ARG A 35 -10.209 -2.097 -7.504 1.00 0.00 C ATOM 481 C ARG A 35 -11.259 -1.287 -8.258 1.00 0.00 C ATOM 482 O ARG A 35 -12.435 -1.287 -7.895 1.00 0.00 O ATOM 483 CB ARG A 35 -9.234 -2.741 -8.491 1.00 0.00 C ATOM 484 CG ARG A 35 -9.910 -3.545 -9.592 1.00 0.00 C ATOM 485 CD ARG A 35 -10.257 -4.952 -9.130 1.00 0.00 C ATOM 486 NE ARG A 35 -10.484 -5.857 -10.256 1.00 0.00 N ATOM 487 CZ ARG A 35 -11.267 -6.931 -10.194 1.00 0.00 C ATOM 488 NH1 ARG A 35 -11.879 -7.246 -9.061 1.00 0.00 N ATOM 489 NH2 ARG A 35 -11.436 -7.692 -11.267 1.00 0.00 N ATOM 0 H ARG A 35 -11.387 -3.803 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.656 -1.421 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.625 -1.960 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.556 -3.394 -7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.818 -3.033 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.252 -3.599 -10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.449 -5.340 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.150 -4.919 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.016 -5.653 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.750 -6.664 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.479 -8.070 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.966 -7.454 -12.140 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.036 -8.515 -11.219 1.00 0.00 H new ATOM 503 N ALA A 36 -10.825 -0.595 -9.308 1.00 0.00 N ATOM 504 CA ALA A 36 -11.726 0.223 -10.111 1.00 0.00 C ATOM 505 C ALA A 36 -12.644 1.060 -9.226 1.00 0.00 C ATOM 506 O ALA A 36 -12.507 1.067 -8.004 1.00 0.00 O ATOM 507 CB ALA A 36 -12.547 -0.653 -11.045 1.00 0.00 C ATOM 0 H ALA A 36 -9.855 -0.585 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.120 0.904 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.215 -0.027 -11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.880 -1.202 -11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.136 -1.358 -10.458 1.00 0.00 H new ATOM 513 N TYR A 37 -13.583 1.764 -9.852 1.00 0.00 N ATOM 514 CA TYR A 37 -14.524 2.603 -9.118 1.00 0.00 C ATOM 515 C TYR A 37 -15.887 1.925 -9.011 1.00 0.00 C ATOM 516 O TYR A 37 -16.488 1.553 -10.019 1.00 0.00 O ATOM 517 CB TYR A 37 -14.665 3.966 -9.799 1.00 0.00 C ATOM 518 CG TYR A 37 -15.722 4.005 -10.882 1.00 0.00 C ATOM 519 CD1 TYR A 37 -15.708 3.085 -11.923 1.00 0.00 C ATOM 520 CD2 TYR A 37 -16.730 4.961 -10.865 1.00 0.00 C ATOM 521 CE1 TYR A 37 -16.668 3.117 -12.915 1.00 0.00 C ATOM 522 CE2 TYR A 37 -17.695 4.998 -11.855 1.00 0.00 C ATOM 523 CZ TYR A 37 -17.659 4.074 -12.876 1.00 0.00 C ATOM 524 OH TYR A 37 -18.617 4.108 -13.863 1.00 0.00 O ATOM 0 H TYR A 37 -13.712 1.770 -10.864 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.134 2.751 -8.111 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.905 4.715 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.705 4.246 -10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.934 2.333 -11.957 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.760 5.687 -10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.642 2.395 -13.718 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.472 5.747 -11.828 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.242 4.842 -13.687 1.00 0.00 H new ATOM 534 N PRO A 38 -16.391 1.757 -7.779 1.00 0.00 N ATOM 535 CA PRO A 38 -17.690 1.121 -7.532 1.00 0.00 C ATOM 536 C PRO A 38 -18.846 1.905 -8.143 1.00 0.00 C ATOM 537 O PRO A 38 -18.644 2.952 -8.759 1.00 0.00 O ATOM 538 CB PRO A 38 -17.804 1.107 -6.003 1.00 0.00 C ATOM 539 CG PRO A 38 -16.859 2.160 -5.534 1.00 0.00 C ATOM 540 CD PRO A 38 -15.734 2.175 -6.531 1.00 0.00 C ATOM 0 HA PRO A 38 -17.746 0.131 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -18.823 1.321 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.540 0.131 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.350 3.132 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.491 1.937 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.289 3.166 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.934 1.491 -6.247 1.00 0.00 H new ATOM 548 N THR A 39 -20.058 1.390 -7.969 1.00 0.00 N ATOM 549 CA THR A 39 -21.250 2.039 -8.501 1.00 0.00 C ATOM 550 C THR A 39 -22.161 2.509 -7.374 1.00 0.00 C ATOM 551 O THR A 39 -22.901 1.719 -6.787 1.00 0.00 O ATOM 552 CB THR A 39 -22.010 1.082 -9.422 1.00 0.00 C ATOM 553 OG1 THR A 39 -23.267 0.738 -8.863 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.262 -0.205 -9.696 1.00 0.00 C ATOM 0 H THR A 39 -20.241 0.524 -7.463 1.00 0.00 H new ATOM 0 HA THR A 39 -20.934 2.910 -9.075 1.00 0.00 H new ATOM 0 HB THR A 39 -22.130 1.621 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 39 -23.151 0.498 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.856 -0.838 -10.355 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.309 0.023 -10.174 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.081 -0.728 -8.757 1.00 0.00 H new ATOM 562 N PRO A 40 -22.120 3.812 -7.061 1.00 0.00 N ATOM 563 CA PRO A 40 -22.935 4.402 -6.012 1.00 0.00 C ATOM 564 C PRO A 40 -24.303 4.837 -6.526 1.00 0.00 C ATOM 565 O PRO A 40 -24.752 4.389 -7.580 1.00 0.00 O ATOM 566 CB PRO A 40 -22.117 5.616 -5.566 1.00 0.00 C ATOM 567 CG PRO A 40 -21.142 5.905 -6.673 1.00 0.00 C ATOM 568 CD PRO A 40 -21.278 4.817 -7.713 1.00 0.00 C ATOM 0 HA PRO A 40 -23.143 3.697 -5.207 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -22.764 6.474 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -21.594 5.409 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.345 6.881 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.124 5.936 -6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -21.739 5.193 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.307 4.406 -7.991 1.00 0.00 H new ATOM 576 N LEU A 41 -24.960 5.713 -5.775 1.00 0.00 N ATOM 577 CA LEU A 41 -26.277 6.208 -6.158 1.00 0.00 C ATOM 578 C LEU A 41 -26.198 7.655 -6.631 1.00 0.00 C ATOM 579 O LEU A 41 -27.166 8.408 -6.519 1.00 0.00 O ATOM 580 CB LEU A 41 -27.248 6.099 -4.981 1.00 0.00 C ATOM 581 CG LEU A 41 -27.608 4.672 -4.570 1.00 0.00 C ATOM 582 CD1 LEU A 41 -27.734 4.568 -3.059 1.00 0.00 C ATOM 583 CD2 LEU A 41 -28.899 4.236 -5.245 1.00 0.00 C ATOM 0 H LEU A 41 -24.603 6.095 -4.899 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.642 5.594 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -26.813 6.609 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -28.165 6.630 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 41 -26.808 4.007 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -27.991 3.545 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -26.786 4.841 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -28.516 5.244 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -29.142 3.217 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -29.708 4.905 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -28.774 4.273 -6.327 1.00 0.00 H new ATOM 595 N ARG A 42 -25.040 8.043 -7.158 1.00 0.00 N ATOM 596 CA ARG A 42 -24.844 9.403 -7.643 1.00 0.00 C ATOM 597 C ARG A 42 -25.010 10.405 -6.509 1.00 0.00 C ATOM 598 O ARG A 42 -24.034 10.970 -6.014 1.00 0.00 O ATOM 599 CB ARG A 42 -25.841 9.714 -8.759 1.00 0.00 C ATOM 600 CG ARG A 42 -25.845 8.682 -9.871 1.00 0.00 C ATOM 601 CD ARG A 42 -26.914 7.625 -9.644 1.00 0.00 C ATOM 602 NE ARG A 42 -27.136 6.810 -10.835 1.00 0.00 N ATOM 603 CZ ARG A 42 -28.244 6.111 -11.052 1.00 0.00 C ATOM 604 NH1 ARG A 42 -29.230 6.131 -10.166 1.00 0.00 N ATOM 605 NH2 ARG A 42 -28.368 5.388 -12.158 1.00 0.00 N ATOM 0 H ARG A 42 -24.226 7.436 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 42 -23.831 9.484 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -26.842 9.781 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -25.608 10.691 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -26.017 9.176 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.867 8.205 -9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -26.619 6.983 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -27.847 8.109 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 42 -26.399 6.776 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -29.139 6.685 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -30.080 5.593 -10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.612 5.369 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -29.219 4.851 -12.324 1.00 0.00 H new ATOM 619 N SER A 43 -26.255 10.613 -6.098 1.00 0.00 N ATOM 620 CA SER A 43 -26.563 11.539 -5.016 1.00 0.00 C ATOM 621 C SER A 43 -25.917 12.901 -5.252 1.00 0.00 C ATOM 622 O SER A 43 -25.604 13.264 -6.386 1.00 0.00 O ATOM 623 CB SER A 43 -26.096 10.962 -3.679 1.00 0.00 C ATOM 624 OG SER A 43 -27.160 10.921 -2.745 1.00 0.00 O ATOM 0 H SER A 43 -27.071 10.151 -6.500 1.00 0.00 H new ATOM 0 HA SER A 43 -27.644 11.677 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 43 -25.701 9.957 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 43 -25.282 11.568 -3.282 1.00 0.00 H new ATOM 0 HG SER A 43 -26.838 10.547 -1.898 1.00 0.00 H new ATOM 630 N LYS A 44 -25.728 13.651 -4.171 1.00 0.00 N ATOM 631 CA LYS A 44 -25.128 14.978 -4.251 1.00 0.00 C ATOM 632 C LYS A 44 -26.192 16.030 -4.535 1.00 0.00 C ATOM 633 O LYS A 44 -26.111 16.763 -5.522 1.00 0.00 O ATOM 634 CB LYS A 44 -24.048 15.014 -5.334 1.00 0.00 C ATOM 635 CG LYS A 44 -22.854 15.882 -4.972 1.00 0.00 C ATOM 636 CD LYS A 44 -22.155 15.376 -3.720 1.00 0.00 C ATOM 637 CE LYS A 44 -21.115 16.367 -3.221 1.00 0.00 C ATOM 638 NZ LYS A 44 -19.733 15.834 -3.353 1.00 0.00 N ATOM 0 H LYS A 44 -25.983 13.361 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 44 -24.665 15.202 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -23.703 13.998 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -24.487 15.382 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.149 15.897 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -23.184 16.909 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.893 15.197 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.676 14.420 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.201 17.297 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.314 16.606 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.054 16.539 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.643 14.960 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.534 15.629 -4.353 1.00 0.00 H new ATOM 652 N LYS A 45 -27.191 16.094 -3.660 1.00 0.00 N ATOM 653 CA LYS A 45 -28.282 17.052 -3.807 1.00 0.00 C ATOM 654 C LYS A 45 -27.789 18.475 -3.580 1.00 0.00 C ATOM 655 O LYS A 45 -26.599 18.761 -3.711 1.00 0.00 O ATOM 656 CB LYS A 45 -29.415 16.742 -2.823 1.00 0.00 C ATOM 657 CG LYS A 45 -29.453 15.297 -2.350 1.00 0.00 C ATOM 658 CD LYS A 45 -30.303 15.145 -1.099 1.00 0.00 C ATOM 659 CE LYS A 45 -31.763 14.897 -1.443 1.00 0.00 C ATOM 660 NZ LYS A 45 -32.595 16.114 -1.238 1.00 0.00 N ATOM 0 H LYS A 45 -27.268 15.492 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.661 16.966 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -29.316 17.394 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -30.367 16.983 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -29.852 14.664 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.439 14.952 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -29.924 14.318 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -30.220 16.045 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -31.842 14.574 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -32.149 14.085 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -33.584 15.904 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -32.540 16.408 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -32.243 16.881 -1.845 1.00 0.00 H new ATOM 674 N THR A 46 -28.716 19.365 -3.239 1.00 0.00 N ATOM 675 CA THR A 46 -28.379 20.760 -2.989 1.00 0.00 C ATOM 676 C THR A 46 -28.358 21.053 -1.493 1.00 0.00 C ATOM 677 O THR A 46 -29.309 21.613 -0.949 1.00 0.00 O ATOM 678 CB THR A 46 -29.381 21.680 -3.687 1.00 0.00 C ATOM 679 OG1 THR A 46 -30.321 20.928 -4.433 1.00 0.00 O ATOM 680 CG2 THR A 46 -28.728 22.664 -4.632 1.00 0.00 C ATOM 0 H THR A 46 -29.706 19.144 -3.130 1.00 0.00 H new ATOM 0 HA THR A 46 -27.383 20.947 -3.392 1.00 0.00 H new ATOM 0 HB THR A 46 -29.869 22.236 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 46 -30.953 21.536 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 46 -29.493 23.287 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 46 -28.033 23.295 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 46 -28.186 22.120 -5.406 1.00 0.00 H new ATOM 688 N MET A 47 -27.270 20.666 -0.834 1.00 0.00 N ATOM 689 CA MET A 47 -27.131 20.887 0.602 1.00 0.00 C ATOM 690 C MET A 47 -25.711 20.578 1.068 1.00 0.00 C ATOM 691 O MET A 47 -25.160 19.521 0.761 1.00 0.00 O ATOM 692 CB MET A 47 -28.134 20.027 1.370 1.00 0.00 C ATOM 693 CG MET A 47 -28.913 20.799 2.423 1.00 0.00 C ATOM 694 SD MET A 47 -28.210 20.626 4.075 1.00 0.00 S ATOM 695 CE MET A 47 -29.464 21.439 5.063 1.00 0.00 C ATOM 0 H MET A 47 -26.474 20.199 -1.269 1.00 0.00 H new ATOM 0 HA MET A 47 -27.336 21.938 0.804 1.00 0.00 H new ATOM 0 HB2 MET A 47 -28.835 19.582 0.664 1.00 0.00 H new ATOM 0 HB3 MET A 47 -27.603 19.206 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 47 -28.936 21.854 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 47 -29.946 20.450 2.434 1.00 0.00 H new ATOM 0 HE1 MET A 47 -29.173 21.414 6.113 1.00 0.00 H new ATOM 0 HE2 MET A 47 -29.567 22.475 4.739 1.00 0.00 H new ATOM 0 HE3 MET A 47 -30.416 20.923 4.938 1.00 0.00 H new ATOM 705 N LEU A 48 -25.125 21.512 1.810 1.00 0.00 N ATOM 706 CA LEU A 48 -23.767 21.347 2.318 1.00 0.00 C ATOM 707 C LEU A 48 -23.732 20.377 3.495 1.00 0.00 C ATOM 708 O LEU A 48 -23.584 20.785 4.646 1.00 0.00 O ATOM 709 CB LEU A 48 -23.191 22.699 2.743 1.00 0.00 C ATOM 710 CG LEU A 48 -22.507 23.494 1.627 1.00 0.00 C ATOM 711 CD1 LEU A 48 -21.785 22.560 0.667 1.00 0.00 C ATOM 712 CD2 LEU A 48 -23.525 24.343 0.880 1.00 0.00 C ATOM 0 H LEU A 48 -25.569 22.392 2.073 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.158 20.933 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -23.996 23.305 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.471 22.534 3.544 1.00 0.00 H new ATOM 0 HG LEU A 48 -21.769 24.156 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -21.306 23.145 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.029 21.993 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -22.503 21.872 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -23.023 24.902 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -24.285 23.697 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -23.997 25.039 1.573 1.00 0.00 H new ATOM 724 N VAL A 49 -23.862 19.090 3.195 1.00 0.00 N ATOM 725 CA VAL A 49 -23.839 18.059 4.225 1.00 0.00 C ATOM 726 C VAL A 49 -22.638 17.137 4.037 1.00 0.00 C ATOM 727 O VAL A 49 -22.498 16.493 2.998 1.00 0.00 O ATOM 728 CB VAL A 49 -25.141 17.223 4.217 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.078 17.701 3.117 1.00 0.00 C ATOM 730 CG2 VAL A 49 -24.841 15.738 4.059 1.00 0.00 C ATOM 0 H VAL A 49 -23.984 18.736 2.246 1.00 0.00 H new ATOM 0 HA VAL A 49 -23.758 18.563 5.188 1.00 0.00 H new ATOM 0 HB VAL A 49 -25.636 17.364 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.988 17.101 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.332 18.748 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -25.586 17.597 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -25.775 15.176 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -24.315 15.571 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.218 15.402 4.888 1.00 0.00 H new ATOM 740 N GLN A 50 -21.774 17.078 5.044 1.00 0.00 N ATOM 741 CA GLN A 50 -20.588 16.232 4.974 1.00 0.00 C ATOM 742 C GLN A 50 -20.202 15.708 6.354 1.00 0.00 C ATOM 743 O GLN A 50 -20.367 16.396 7.361 1.00 0.00 O ATOM 744 CB GLN A 50 -19.419 17.005 4.362 1.00 0.00 C ATOM 745 CG GLN A 50 -19.851 18.223 3.561 1.00 0.00 C ATOM 746 CD GLN A 50 -18.766 18.722 2.627 1.00 0.00 C ATOM 747 OE1 GLN A 50 -18.756 18.398 1.439 1.00 0.00 O ATOM 748 NE2 GLN A 50 -17.845 19.516 3.160 1.00 0.00 N ATOM 0 H GLN A 50 -21.871 17.602 5.914 1.00 0.00 H new ATOM 0 HA GLN A 50 -20.823 15.378 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.747 17.324 5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.851 16.337 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.739 17.975 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.132 19.023 4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -17.892 19.759 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.091 19.883 2.580 1.00 0.00 H new ATOM 757 N LYS A 51 -19.687 14.484 6.388 1.00 0.00 N ATOM 758 CA LYS A 51 -19.272 13.859 7.640 1.00 0.00 C ATOM 759 C LYS A 51 -17.943 13.128 7.466 1.00 0.00 C ATOM 760 O LYS A 51 -17.629 12.205 8.217 1.00 0.00 O ATOM 761 CB LYS A 51 -20.344 12.882 8.128 1.00 0.00 C ATOM 762 CG LYS A 51 -21.654 13.552 8.508 1.00 0.00 C ATOM 763 CD LYS A 51 -21.441 14.643 9.542 1.00 0.00 C ATOM 764 CE LYS A 51 -22.497 14.588 10.633 1.00 0.00 C ATOM 765 NZ LYS A 51 -22.052 13.773 11.795 1.00 0.00 N ATOM 0 H LYS A 51 -19.546 13.903 5.561 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.142 14.645 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.536 12.147 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.961 12.338 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.118 13.978 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.345 12.806 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.451 14.537 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.469 15.618 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.728 15.600 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.417 14.169 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.800 13.760 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.856 12.801 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.188 14.187 12.199 1.00 0.00 H new ATOM 779 N ASN A 52 -17.168 13.545 6.469 1.00 0.00 N ATOM 780 CA ASN A 52 -15.876 12.928 6.194 1.00 0.00 C ATOM 781 C ASN A 52 -16.026 11.423 6.005 1.00 0.00 C ATOM 782 O ASN A 52 -15.161 10.647 6.409 1.00 0.00 O ATOM 783 CB ASN A 52 -14.889 13.214 7.330 1.00 0.00 C ATOM 784 CG ASN A 52 -14.469 14.672 7.381 1.00 0.00 C ATOM 785 OD1 ASN A 52 -14.841 15.466 6.518 1.00 0.00 O ATOM 786 ND2 ASN A 52 -13.692 15.031 8.397 1.00 0.00 N ATOM 0 H ASN A 52 -17.413 14.308 5.838 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.487 13.360 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.344 12.937 8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.005 12.589 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.380 15.998 8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.407 14.339 9.090 1.00 0.00 H new ATOM 793 N VAL A 53 -17.131 11.018 5.386 1.00 0.00 N ATOM 794 CA VAL A 53 -17.393 9.606 5.142 1.00 0.00 C ATOM 795 C VAL A 53 -16.974 9.210 3.732 1.00 0.00 C ATOM 796 O VAL A 53 -16.790 10.064 2.865 1.00 0.00 O ATOM 797 CB VAL A 53 -18.882 9.265 5.335 1.00 0.00 C ATOM 798 CG1 VAL A 53 -19.049 7.808 5.745 1.00 0.00 C ATOM 799 CG2 VAL A 53 -19.516 10.194 6.360 1.00 0.00 C ATOM 0 H VAL A 53 -17.858 11.648 5.045 1.00 0.00 H new ATOM 0 HA VAL A 53 -16.805 9.046 5.869 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.395 9.410 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -20.108 7.586 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.637 7.162 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.522 7.631 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -20.568 9.937 6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.003 10.086 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.432 11.225 6.017 1.00 0.00 H new ATOM 809 N THR A 54 -16.824 7.911 3.508 1.00 0.00 N ATOM 810 CA THR A 54 -16.427 7.402 2.202 1.00 0.00 C ATOM 811 C THR A 54 -16.242 5.890 2.242 1.00 0.00 C ATOM 812 O THR A 54 -16.606 5.235 3.218 1.00 0.00 O ATOM 813 CB THR A 54 -15.130 8.073 1.741 1.00 0.00 C ATOM 814 OG1 THR A 54 -14.521 8.776 2.810 1.00 0.00 O ATOM 815 CG2 THR A 54 -15.332 9.050 0.604 1.00 0.00 C ATOM 0 H THR A 54 -16.971 7.190 4.215 1.00 0.00 H new ATOM 0 HA THR A 54 -17.221 7.636 1.493 1.00 0.00 H new ATOM 0 HB THR A 54 -14.494 7.260 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.693 9.196 2.496 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.374 9.489 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.753 8.527 -0.255 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.015 9.839 0.919 1.00 0.00 H new ATOM 823 N SER A 55 -15.673 5.343 1.174 1.00 0.00 N ATOM 824 CA SER A 55 -15.441 3.907 1.086 1.00 0.00 C ATOM 825 C SER A 55 -14.141 3.608 0.346 1.00 0.00 C ATOM 826 O SER A 55 -13.252 2.947 0.881 1.00 0.00 O ATOM 827 CB SER A 55 -16.613 3.223 0.379 1.00 0.00 C ATOM 828 OG SER A 55 -17.854 3.653 0.914 1.00 0.00 O ATOM 0 H SER A 55 -15.364 5.872 0.358 1.00 0.00 H new ATOM 0 HA SER A 55 -15.358 3.516 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.577 3.444 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.524 2.142 0.483 1.00 0.00 H new ATOM 0 HG SER A 55 -18.587 3.202 0.444 1.00 0.00 H new ATOM 834 N GLU A 56 -14.040 4.095 -0.889 1.00 0.00 N ATOM 835 CA GLU A 56 -12.850 3.873 -1.703 1.00 0.00 C ATOM 836 C GLU A 56 -12.473 2.396 -1.706 1.00 0.00 C ATOM 837 O GLU A 56 -12.020 1.861 -0.694 1.00 0.00 O ATOM 838 CB GLU A 56 -11.677 4.708 -1.182 1.00 0.00 C ATOM 839 CG GLU A 56 -12.095 6.030 -0.560 1.00 0.00 C ATOM 840 CD GLU A 56 -11.916 7.200 -1.508 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.955 7.175 -2.306 1.00 0.00 O ATOM 842 OE2 GLU A 56 -12.737 8.140 -1.452 1.00 0.00 O ATOM 0 H GLU A 56 -14.767 4.645 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.075 4.182 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.129 4.126 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.990 4.905 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.140 5.970 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.509 6.205 0.342 1.00 0.00 H new ATOM 849 N SER A 57 -12.665 1.737 -2.845 1.00 0.00 N ATOM 850 CA SER A 57 -12.345 0.318 -2.969 1.00 0.00 C ATOM 851 C SER A 57 -11.173 -0.055 -2.066 1.00 0.00 C ATOM 852 O SER A 57 -11.367 -0.545 -0.954 1.00 0.00 O ATOM 853 CB SER A 57 -12.021 -0.035 -4.421 1.00 0.00 C ATOM 854 OG SER A 57 -12.955 -0.968 -4.941 1.00 0.00 O ATOM 0 H SER A 57 -13.040 2.161 -3.694 1.00 0.00 H new ATOM 0 HA SER A 57 -13.219 -0.253 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.029 0.870 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.015 -0.451 -4.482 1.00 0.00 H new ATOM 0 HG SER A 57 -12.812 -1.071 -5.905 1.00 0.00 H new ATOM 860 N THR A 58 -9.958 0.189 -2.548 1.00 0.00 N ATOM 861 CA THR A 58 -8.761 -0.116 -1.775 1.00 0.00 C ATOM 862 C THR A 58 -8.546 0.930 -0.687 1.00 0.00 C ATOM 863 O THR A 58 -9.357 1.840 -0.523 1.00 0.00 O ATOM 864 CB THR A 58 -7.536 -0.178 -2.689 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.571 0.865 -3.647 1.00 0.00 O ATOM 866 CG2 THR A 58 -7.415 -1.487 -3.440 1.00 0.00 C ATOM 0 H THR A 58 -9.778 0.595 -3.466 1.00 0.00 H new ATOM 0 HA THR A 58 -8.898 -1.089 -1.303 1.00 0.00 H new ATOM 0 HB THR A 58 -6.676 -0.077 -2.026 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.778 0.809 -4.221 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.525 -1.464 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.335 -2.309 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.297 -1.632 -4.064 1.00 0.00 H new ATOM 874 N CYS A 59 -7.453 0.798 0.056 1.00 0.00 N ATOM 875 CA CYS A 59 -7.150 1.742 1.126 1.00 0.00 C ATOM 876 C CYS A 59 -5.665 1.833 1.374 1.00 0.00 C ATOM 877 O CYS A 59 -5.214 2.139 2.476 1.00 0.00 O ATOM 878 CB CYS A 59 -7.862 1.340 2.405 1.00 0.00 C ATOM 879 SG CYS A 59 -8.310 2.738 3.487 1.00 0.00 S ATOM 0 H CYS A 59 -6.767 0.053 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.505 2.723 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.768 0.792 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.223 0.655 2.962 1.00 0.00 H new ATOM 884 N CYS A 60 -4.928 1.579 0.328 1.00 0.00 N ATOM 885 CA CYS A 60 -3.470 1.630 0.377 1.00 0.00 C ATOM 886 C CYS A 60 -2.995 3.033 0.711 1.00 0.00 C ATOM 887 O CYS A 60 -3.778 3.881 1.133 1.00 0.00 O ATOM 888 CB CYS A 60 -2.856 1.177 -0.950 1.00 0.00 C ATOM 889 SG CYS A 60 -3.493 -0.417 -1.568 1.00 0.00 S ATOM 0 H CYS A 60 -5.307 1.330 -0.586 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.142 0.947 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.039 1.944 -1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.775 1.101 -0.829 1.00 0.00 H new ATOM 894 N VAL A 61 -1.701 3.247 0.523 1.00 0.00 N ATOM 895 CA VAL A 61 -1.057 4.530 0.798 1.00 0.00 C ATOM 896 C VAL A 61 -0.033 4.371 1.909 1.00 0.00 C ATOM 897 O VAL A 61 -0.164 4.967 2.977 1.00 0.00 O ATOM 898 CB VAL A 61 -2.063 5.629 1.200 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.326 6.864 1.690 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.974 5.977 0.032 1.00 0.00 C ATOM 0 H VAL A 61 -1.062 2.533 0.173 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.575 4.842 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.683 5.250 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.048 7.631 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.717 6.605 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.683 7.243 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.676 6.754 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.373 6.338 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.527 5.089 -0.275 1.00 0.00 H new ATOM 910 N ALA A 62 0.981 3.552 1.641 1.00 0.00 N ATOM 911 CA ALA A 62 2.046 3.282 2.602 1.00 0.00 C ATOM 912 C ALA A 62 1.725 3.833 3.988 1.00 0.00 C ATOM 913 O ALA A 62 1.770 5.043 4.210 1.00 0.00 O ATOM 914 CB ALA A 62 3.359 3.857 2.101 1.00 0.00 C ATOM 0 H ALA A 62 1.087 3.059 0.755 1.00 0.00 H new ATOM 0 HA ALA A 62 2.134 2.200 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.147 3.650 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.615 3.400 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.259 4.935 1.972 1.00 0.00 H new ATOM 920 N LYS A 63 1.433 2.937 4.927 1.00 0.00 N ATOM 921 CA LYS A 63 1.140 3.341 6.294 1.00 0.00 C ATOM 922 C LYS A 63 2.254 4.241 6.787 1.00 0.00 C ATOM 923 O LYS A 63 2.039 5.175 7.560 1.00 0.00 O ATOM 924 CB LYS A 63 1.030 2.120 7.204 1.00 0.00 C ATOM 925 CG LYS A 63 0.375 2.424 8.542 1.00 0.00 C ATOM 926 CD LYS A 63 0.501 1.259 9.512 1.00 0.00 C ATOM 927 CE LYS A 63 -0.638 1.249 10.520 1.00 0.00 C ATOM 928 NZ LYS A 63 -0.769 -0.069 11.202 1.00 0.00 N ATOM 0 H LYS A 63 1.394 1.931 4.765 1.00 0.00 H new ATOM 0 HA LYS A 63 0.189 3.873 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.456 1.346 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.027 1.715 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.834 3.311 8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.679 2.655 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.506 0.321 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.454 1.323 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.470 2.027 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.573 1.489 10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.754 -0.206 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.500 -0.828 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.144 -0.094 12.033 1.00 0.00 H new ATOM 942 N SER A 64 3.448 3.945 6.305 1.00 0.00 N ATOM 943 CA SER A 64 4.637 4.704 6.644 1.00 0.00 C ATOM 944 C SER A 64 5.509 4.833 5.407 1.00 0.00 C ATOM 945 O SER A 64 5.298 4.127 4.421 1.00 0.00 O ATOM 946 CB SER A 64 5.411 4.025 7.774 1.00 0.00 C ATOM 947 OG SER A 64 4.795 4.263 9.029 1.00 0.00 O ATOM 0 H SER A 64 3.620 3.169 5.666 1.00 0.00 H new ATOM 0 HA SER A 64 4.344 5.695 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.464 2.952 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.436 4.397 7.792 1.00 0.00 H new ATOM 0 HG SER A 64 3.894 4.621 8.888 1.00 0.00 H new ATOM 953 N TYR A 65 6.476 5.733 5.442 1.00 0.00 N ATOM 954 CA TYR A 65 7.346 5.927 4.291 1.00 0.00 C ATOM 955 C TYR A 65 8.748 6.318 4.702 1.00 0.00 C ATOM 956 O TYR A 65 8.975 6.813 5.806 1.00 0.00 O ATOM 957 CB TYR A 65 6.798 7.031 3.394 1.00 0.00 C ATOM 958 CG TYR A 65 6.255 8.213 4.161 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.158 8.075 4.999 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.845 9.465 4.048 1.00 0.00 C ATOM 961 CE1 TYR A 65 4.661 9.155 5.704 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.356 10.547 4.750 1.00 0.00 C ATOM 963 CZ TYR A 65 5.263 10.387 5.576 1.00 0.00 C ATOM 964 OH TYR A 65 4.773 11.464 6.277 1.00 0.00 O ATOM 0 H TYR A 65 6.679 6.334 6.241 1.00 0.00 H new ATOM 0 HA TYR A 65 7.380 4.976 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.589 7.373 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.007 6.620 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.685 7.109 5.102 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.700 9.594 3.401 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.805 9.033 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.826 11.514 4.653 1.00 0.00 H new ATOM 0 HH TYR A 65 5.311 12.258 6.076 1.00 0.00 H new ATOM 974 N ASN A 66 9.673 6.148 3.774 1.00 0.00 N ATOM 975 CA ASN A 66 11.053 6.546 4.005 1.00 0.00 C ATOM 976 C ASN A 66 11.527 7.282 2.783 1.00 0.00 C ATOM 977 O ASN A 66 12.702 7.277 2.417 1.00 0.00 O ATOM 978 CB ASN A 66 11.942 5.352 4.305 1.00 0.00 C ATOM 979 CG ASN A 66 12.561 5.425 5.686 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.297 4.582 6.544 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.390 6.439 5.906 1.00 0.00 N ATOM 0 H ASN A 66 9.496 5.739 2.857 1.00 0.00 H new ATOM 0 HA ASN A 66 11.107 7.192 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.357 4.436 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.733 5.295 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.838 6.543 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.579 7.113 5.165 1.00 0.00 H new ATOM 988 N ARG A 67 10.545 7.903 2.170 1.00 0.00 N ATOM 989 CA ARG A 67 10.710 8.682 0.958 1.00 0.00 C ATOM 990 C ARG A 67 12.170 8.896 0.610 1.00 0.00 C ATOM 991 O ARG A 67 12.970 9.336 1.434 1.00 0.00 O ATOM 992 CB ARG A 67 9.997 10.020 1.110 1.00 0.00 C ATOM 993 CG ARG A 67 9.186 10.423 -0.111 1.00 0.00 C ATOM 994 CD ARG A 67 9.744 11.678 -0.774 1.00 0.00 C ATOM 995 NE ARG A 67 10.614 12.438 0.119 1.00 0.00 N ATOM 996 CZ ARG A 67 10.170 13.324 1.005 1.00 0.00 C ATOM 997 NH1 ARG A 67 8.870 13.551 1.122 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.025 13.981 1.777 1.00 0.00 N ATOM 0 H ARG A 67 9.583 7.881 2.508 1.00 0.00 H new ATOM 0 HA ARG A 67 10.266 8.121 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.336 9.973 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.736 10.794 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.181 9.604 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.151 10.597 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.301 11.397 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.919 12.312 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 67 11.620 12.280 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.209 13.046 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.530 14.231 1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.026 13.807 1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.681 14.660 2.456 1.00 0.00 H new ATOM 1012 N VAL A 68 12.496 8.580 -0.629 1.00 0.00 N ATOM 1013 CA VAL A 68 13.850 8.725 -1.131 1.00 0.00 C ATOM 1014 C VAL A 68 13.834 9.345 -2.515 1.00 0.00 C ATOM 1015 O VAL A 68 14.479 8.844 -3.436 1.00 0.00 O ATOM 1016 CB VAL A 68 14.586 7.365 -1.185 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.418 6.599 0.122 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.098 6.522 -2.359 1.00 0.00 C ATOM 0 H VAL A 68 11.833 8.217 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 68 14.386 9.378 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 68 15.647 7.571 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.945 5.647 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.830 7.186 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.359 6.415 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.633 5.572 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.029 6.336 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.283 7.055 -3.292 1.00 0.00 H new ATOM 1028 N THR A 69 13.081 10.435 -2.658 1.00 0.00 N ATOM 1029 CA THR A 69 12.968 11.117 -3.940 1.00 0.00 C ATOM 1030 C THR A 69 14.131 10.742 -4.831 1.00 0.00 C ATOM 1031 O THR A 69 15.291 10.975 -4.491 1.00 0.00 O ATOM 1032 CB THR A 69 12.926 12.628 -3.782 1.00 0.00 C ATOM 1033 OG1 THR A 69 11.790 13.030 -3.037 1.00 0.00 O ATOM 1034 CG2 THR A 69 12.884 13.327 -5.122 1.00 0.00 C ATOM 0 H THR A 69 12.543 10.861 -1.903 1.00 0.00 H new ATOM 0 HA THR A 69 12.029 10.798 -4.393 1.00 0.00 H new ATOM 0 HB THR A 69 13.837 12.910 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.786 14.006 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.855 14.406 -4.969 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.773 13.066 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.994 13.014 -5.668 1.00 0.00 H new ATOM 1042 N VAL A 70 13.821 10.128 -5.952 1.00 0.00 N ATOM 1043 CA VAL A 70 14.848 9.682 -6.866 1.00 0.00 C ATOM 1044 C VAL A 70 14.716 10.312 -8.242 1.00 0.00 C ATOM 1045 O VAL A 70 13.916 11.222 -8.457 1.00 0.00 O ATOM 1046 CB VAL A 70 14.818 8.153 -7.009 1.00 0.00 C ATOM 1047 CG1 VAL A 70 16.145 7.545 -6.583 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.672 7.569 -6.194 1.00 0.00 C ATOM 0 H VAL A 70 12.867 9.927 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 70 15.800 9.999 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 70 14.657 7.908 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.101 6.461 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.944 7.941 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.343 7.796 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.663 6.485 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.805 7.826 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.727 7.978 -6.550 1.00 0.00 H new ATOM 1058 N MET A 71 15.529 9.814 -9.161 1.00 0.00 N ATOM 1059 CA MET A 71 15.551 10.307 -10.529 1.00 0.00 C ATOM 1060 C MET A 71 15.251 11.791 -10.580 1.00 0.00 C ATOM 1061 O MET A 71 15.882 12.593 -9.890 1.00 0.00 O ATOM 1062 CB MET A 71 14.553 9.551 -11.401 1.00 0.00 C ATOM 1063 CG MET A 71 14.649 8.053 -11.262 1.00 0.00 C ATOM 1064 SD MET A 71 15.928 7.330 -12.308 1.00 0.00 S ATOM 1065 CE MET A 71 15.427 7.925 -13.922 1.00 0.00 C ATOM 0 H MET A 71 16.190 9.059 -8.980 1.00 0.00 H new ATOM 0 HA MET A 71 16.555 10.139 -10.918 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.543 9.868 -11.142 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.715 9.823 -12.444 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.854 7.802 -10.221 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.687 7.608 -11.514 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.614 7.153 -14.668 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.364 8.166 -13.907 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.998 8.819 -14.174 1.00 0.00 H new ATOM 1075 N GLY A 72 14.285 12.146 -11.407 1.00 0.00 N ATOM 1076 CA GLY A 72 13.905 13.525 -11.552 1.00 0.00 C ATOM 1077 C GLY A 72 13.023 14.010 -10.418 1.00 0.00 C ATOM 1078 O GLY A 72 12.465 15.106 -10.482 1.00 0.00 O ATOM 0 H GLY A 72 13.754 11.494 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.802 14.142 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.379 13.655 -12.498 1.00 0.00 H new ATOM 1082 N GLY A 73 12.897 13.193 -9.378 1.00 0.00 N ATOM 1083 CA GLY A 73 12.077 13.563 -8.242 1.00 0.00 C ATOM 1084 C GLY A 73 11.075 12.486 -7.865 1.00 0.00 C ATOM 1085 O GLY A 73 10.038 12.779 -7.270 1.00 0.00 O ATOM 0 H GLY A 73 13.348 12.281 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.721 13.770 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.543 14.486 -8.470 1.00 0.00 H new ATOM 1089 N PHE A 74 11.380 11.239 -8.215 1.00 0.00 N ATOM 1090 CA PHE A 74 10.490 10.124 -7.909 1.00 0.00 C ATOM 1091 C PHE A 74 10.462 9.843 -6.413 1.00 0.00 C ATOM 1092 O PHE A 74 11.485 9.512 -5.815 1.00 0.00 O ATOM 1093 CB PHE A 74 10.924 8.865 -8.658 1.00 0.00 C ATOM 1094 CG PHE A 74 10.508 8.835 -10.101 1.00 0.00 C ATOM 1095 CD1 PHE A 74 9.357 9.482 -10.526 1.00 0.00 C ATOM 1096 CD2 PHE A 74 11.272 8.157 -11.034 1.00 0.00 C ATOM 1097 CE1 PHE A 74 8.979 9.451 -11.856 1.00 0.00 C ATOM 1098 CE2 PHE A 74 10.901 8.122 -12.363 1.00 0.00 C ATOM 1099 CZ PHE A 74 9.752 8.769 -12.776 1.00 0.00 C ATOM 0 H PHE A 74 12.233 10.977 -8.709 1.00 0.00 H new ATOM 0 HA PHE A 74 9.487 10.404 -8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 74 12.009 8.778 -8.602 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.508 7.993 -8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.749 10.016 -9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.171 7.648 -10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.081 9.959 -12.175 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.508 7.589 -13.080 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.459 8.742 -13.815 1.00 0.00 H new ATOM 1109 N LYS A 75 9.286 9.977 -5.810 1.00 0.00 N ATOM 1110 CA LYS A 75 9.138 9.742 -4.382 1.00 0.00 C ATOM 1111 C LYS A 75 8.428 8.422 -4.093 1.00 0.00 C ATOM 1112 O LYS A 75 7.230 8.279 -4.335 1.00 0.00 O ATOM 1113 CB LYS A 75 8.377 10.900 -3.739 1.00 0.00 C ATOM 1114 CG LYS A 75 8.862 12.268 -4.190 1.00 0.00 C ATOM 1115 CD LYS A 75 7.702 13.169 -4.574 1.00 0.00 C ATOM 1116 CE LYS A 75 7.909 14.593 -4.077 1.00 0.00 C ATOM 1117 NZ LYS A 75 8.043 14.652 -2.595 1.00 0.00 N ATOM 0 H LYS A 75 8.426 10.246 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 75 10.137 9.678 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.317 10.803 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.471 10.829 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.437 12.734 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.534 12.155 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.588 13.174 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.777 12.769 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.803 15.012 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.068 15.212 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.667 15.558 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.509 13.869 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.046 14.571 -2.334 1.00 0.00 H new ATOM 1131 N VAL A 76 9.185 7.472 -3.554 1.00 0.00 N ATOM 1132 CA VAL A 76 8.656 6.157 -3.195 1.00 0.00 C ATOM 1133 C VAL A 76 8.279 6.151 -1.756 1.00 0.00 C ATOM 1134 O VAL A 76 8.066 5.094 -1.159 1.00 0.00 O ATOM 1135 CB VAL A 76 9.732 5.069 -3.383 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.037 4.885 -4.862 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.969 5.532 -2.621 1.00 0.00 C ATOM 0 H VAL A 76 10.178 7.589 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 76 7.797 5.955 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 76 9.392 4.106 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.798 4.114 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.130 4.585 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.402 5.824 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.760 4.790 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.310 6.485 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.723 5.652 -1.566 1.00 0.00 H new ATOM 1147 N GLU A 77 8.255 7.337 -1.195 1.00 0.00 N ATOM 1148 CA GLU A 77 7.975 7.479 0.223 1.00 0.00 C ATOM 1149 C GLU A 77 8.484 6.210 0.863 1.00 0.00 C ATOM 1150 O GLU A 77 7.834 5.607 1.711 1.00 0.00 O ATOM 1151 CB GLU A 77 6.476 7.659 0.465 1.00 0.00 C ATOM 1152 CG GLU A 77 6.138 8.886 1.289 1.00 0.00 C ATOM 1153 CD GLU A 77 5.551 10.006 0.455 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.184 10.394 -0.550 1.00 0.00 O ATOM 1155 OE2 GLU A 77 4.457 10.497 0.805 1.00 0.00 O ATOM 0 H GLU A 77 8.424 8.213 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 77 8.458 8.360 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.967 7.725 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.089 6.774 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.429 8.610 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.039 9.243 1.788 1.00 0.00 H new ATOM 1162 N ASN A 78 9.638 5.779 0.341 1.00 0.00 N ATOM 1163 CA ASN A 78 10.255 4.524 0.717 1.00 0.00 C ATOM 1164 C ASN A 78 9.345 3.819 1.690 1.00 0.00 C ATOM 1165 O ASN A 78 9.653 3.649 2.869 1.00 0.00 O ATOM 1166 CB ASN A 78 11.657 4.683 1.277 1.00 0.00 C ATOM 1167 CG ASN A 78 12.345 3.341 1.280 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.337 2.634 0.274 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.943 2.977 2.396 1.00 0.00 N ATOM 0 H ASN A 78 10.165 6.302 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 78 10.382 3.923 -0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.223 5.394 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.614 5.085 2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.926 3.594 3.208 1.00 0.00 H new ATOM 1174 N HIS A 79 8.183 3.479 1.168 1.00 0.00 N ATOM 1175 CA HIS A 79 7.134 2.856 1.944 1.00 0.00 C ATOM 1176 C HIS A 79 7.662 1.865 2.953 1.00 0.00 C ATOM 1177 O HIS A 79 8.225 0.835 2.625 1.00 0.00 O ATOM 1178 CB HIS A 79 6.079 2.250 1.021 1.00 0.00 C ATOM 1179 CG HIS A 79 5.474 3.317 0.179 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.478 3.144 -0.754 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.786 4.625 0.158 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.227 4.337 -1.307 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.995 5.275 -0.786 1.00 0.00 N ATOM 0 H HIS A 79 7.941 3.629 0.189 1.00 0.00 H new ATOM 0 HA HIS A 79 6.653 3.635 2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.532 1.487 0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.306 1.757 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.534 5.098 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.492 4.509 -2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.007 6.267 -1.024 1.00 0.00 H new ATOM 1191 N THR A 80 7.473 2.212 4.202 1.00 0.00 N ATOM 1192 CA THR A 80 7.927 1.371 5.294 1.00 0.00 C ATOM 1193 C THR A 80 6.774 0.532 5.831 1.00 0.00 C ATOM 1194 O THR A 80 6.969 -0.360 6.656 1.00 0.00 O ATOM 1195 CB THR A 80 8.554 2.237 6.379 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.564 2.778 7.233 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.354 3.384 5.797 1.00 0.00 C ATOM 0 H THR A 80 7.008 3.072 4.493 1.00 0.00 H new ATOM 0 HA THR A 80 8.688 0.680 4.933 1.00 0.00 H new ATOM 0 HB THR A 80 9.221 1.584 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.992 3.165 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.783 3.975 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.155 2.989 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.700 4.014 5.194 1.00 0.00 H new ATOM 1205 N ALA A 81 5.571 0.816 5.335 1.00 0.00 N ATOM 1206 CA ALA A 81 4.379 0.085 5.729 1.00 0.00 C ATOM 1207 C ALA A 81 3.220 0.452 4.813 1.00 0.00 C ATOM 1208 O ALA A 81 3.032 1.622 4.492 1.00 0.00 O ATOM 1209 CB ALA A 81 4.031 0.377 7.181 1.00 0.00 C ATOM 0 H ALA A 81 5.401 1.555 4.653 1.00 0.00 H new ATOM 0 HA ALA A 81 4.573 -0.984 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.136 -0.179 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.859 0.075 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.848 1.445 7.304 1.00 0.00 H new ATOM 1215 N CYS A 82 2.449 -0.541 4.385 1.00 0.00 N ATOM 1216 CA CYS A 82 1.314 -0.287 3.506 1.00 0.00 C ATOM 1217 C CYS A 82 0.016 -0.740 4.161 1.00 0.00 C ATOM 1218 O CYS A 82 -0.158 -1.922 4.458 1.00 0.00 O ATOM 1219 CB CYS A 82 1.467 -1.009 2.162 1.00 0.00 C ATOM 1220 SG CYS A 82 3.127 -0.922 1.422 1.00 0.00 S ATOM 0 H CYS A 82 2.587 -1.522 4.630 1.00 0.00 H new ATOM 0 HA CYS A 82 1.284 0.788 3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.202 -2.057 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.750 -0.588 1.457 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.900 0.195 4.366 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.187 -0.126 4.965 1.00 0.00 C ATOM 1227 C HIS A 83 -3.289 -0.024 3.924 1.00 0.00 C ATOM 1228 O HIS A 83 -3.666 1.069 3.509 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.486 0.801 6.138 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.438 2.255 5.780 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.651 3.263 6.696 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -2.204 2.867 4.596 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.551 4.433 6.090 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -2.280 4.221 4.816 1.00 0.00 N ATOM 0 H HIS A 83 -0.777 1.179 4.127 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.145 -1.149 5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.474 0.565 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.768 0.608 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.996 2.382 3.654 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.671 5.399 6.558 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.148 4.945 4.109 1.00 0.00 H new ATOM 1243 N CYS A 84 -3.790 -1.174 3.497 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.843 -1.229 2.490 1.00 0.00 C ATOM 1245 C CYS A 84 -6.051 -2.005 3.004 1.00 0.00 C ATOM 1246 O CYS A 84 -5.959 -2.734 3.992 1.00 0.00 O ATOM 1247 CB CYS A 84 -4.308 -1.880 1.216 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.589 -2.265 -0.019 1.00 0.00 S ATOM 0 H CYS A 84 -3.483 -2.087 3.833 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.161 -0.210 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.571 -1.216 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.788 -2.800 1.482 1.00 0.00 H new ATOM 1253 N SER A 85 -7.188 -1.840 2.332 1.00 0.00 N ATOM 1254 CA SER A 85 -8.411 -2.524 2.730 1.00 0.00 C ATOM 1255 C SER A 85 -8.888 -2.010 4.082 1.00 0.00 C ATOM 1256 O SER A 85 -8.297 -1.087 4.641 1.00 0.00 O ATOM 1257 CB SER A 85 -8.181 -4.035 2.795 1.00 0.00 C ATOM 1258 OG SER A 85 -8.599 -4.563 4.041 1.00 0.00 O ATOM 0 H SER A 85 -7.286 -1.240 1.513 1.00 0.00 H new ATOM 0 HA SER A 85 -9.179 -2.319 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.727 -4.524 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.124 -4.252 2.641 1.00 0.00 H new ATOM 0 HG SER A 85 -8.442 -5.530 4.055 1.00 0.00 H new ATOM 1264 N THR A 86 -9.956 -2.616 4.602 1.00 0.00 N ATOM 1265 CA THR A 86 -10.516 -2.224 5.895 1.00 0.00 C ATOM 1266 C THR A 86 -9.848 -0.960 6.428 1.00 0.00 C ATOM 1267 O THR A 86 -8.892 -1.033 7.200 1.00 0.00 O ATOM 1268 CB THR A 86 -10.357 -3.363 6.903 1.00 0.00 C ATOM 1269 OG1 THR A 86 -10.773 -4.594 6.338 1.00 0.00 O ATOM 1270 CG2 THR A 86 -11.145 -3.151 8.178 1.00 0.00 C ATOM 0 H THR A 86 -10.451 -3.382 4.146 1.00 0.00 H new ATOM 0 HA THR A 86 -11.576 -2.013 5.752 1.00 0.00 H new ATOM 0 HB THR A 86 -9.296 -3.382 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.127 -4.876 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.987 -3.996 8.848 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.811 -2.235 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.206 -3.070 7.941 1.00 0.00 H new ATOM 1278 N CYS A 87 -10.352 0.197 6.006 1.00 0.00 N ATOM 1279 CA CYS A 87 -9.797 1.475 6.439 1.00 0.00 C ATOM 1280 C CYS A 87 -10.003 1.676 7.937 1.00 0.00 C ATOM 1281 O CYS A 87 -10.640 2.638 8.365 1.00 0.00 O ATOM 1282 CB CYS A 87 -10.434 2.625 5.656 1.00 0.00 C ATOM 1283 SG CYS A 87 -10.290 2.461 3.845 1.00 0.00 S ATOM 0 H CYS A 87 -11.142 0.275 5.366 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.725 1.466 6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -11.489 2.691 5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.969 3.562 5.964 1.00 0.00 H new ATOM 1288 N TYR A 88 -9.450 0.753 8.720 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.547 0.792 10.178 1.00 0.00 C ATOM 1290 C TYR A 88 -9.365 -0.607 10.761 1.00 0.00 C ATOM 1291 O TYR A 88 -9.798 -0.886 11.880 1.00 0.00 O ATOM 1292 CB TYR A 88 -10.896 1.361 10.626 1.00 0.00 C ATOM 1293 CG TYR A 88 -11.027 1.480 12.128 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.990 2.001 12.893 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -12.184 1.075 12.780 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -10.104 2.114 14.266 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -12.306 1.185 14.153 1.00 0.00 C ATOM 1298 CZ TYR A 88 -11.263 1.705 14.891 1.00 0.00 C ATOM 1299 OH TYR A 88 -11.379 1.816 16.258 1.00 0.00 O ATOM 0 H TYR A 88 -8.922 -0.043 8.362 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.754 1.443 10.546 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.034 2.345 10.177 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.695 0.723 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.081 2.323 12.407 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.002 0.667 12.205 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.289 2.521 14.846 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.213 0.866 14.645 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.257 1.485 16.540 1.00 0.00 H new ATOM 1309 N TYR A 89 -8.727 -1.485 9.991 1.00 0.00 N ATOM 1310 CA TYR A 89 -8.493 -2.855 10.425 1.00 0.00 C ATOM 1311 C TYR A 89 -7.923 -2.890 11.838 1.00 0.00 C ATOM 1312 O TYR A 89 -6.785 -2.483 12.072 1.00 0.00 O ATOM 1313 CB TYR A 89 -7.548 -3.564 9.452 1.00 0.00 C ATOM 1314 CG TYR A 89 -6.090 -3.466 9.838 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -5.532 -4.361 10.741 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -5.273 -2.477 9.303 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -4.201 -4.275 11.100 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -3.941 -2.385 9.657 1.00 0.00 C ATOM 1319 CZ TYR A 89 -3.410 -3.286 10.556 1.00 0.00 C ATOM 1320 OH TYR A 89 -2.084 -3.198 10.913 1.00 0.00 O ATOM 0 H TYR A 89 -8.363 -1.269 9.063 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.449 -3.378 10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.828 -4.616 9.389 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.680 -3.139 8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.149 -5.137 11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.686 -1.769 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.782 -4.979 11.804 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.319 -1.611 9.232 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.667 -2.448 10.440 1.00 0.00 H new ATOM 1330 N HIS A 90 -8.723 -3.381 12.776 1.00 0.00 N ATOM 1331 CA HIS A 90 -8.304 -3.474 14.167 1.00 0.00 C ATOM 1332 C HIS A 90 -7.132 -4.436 14.313 1.00 0.00 C ATOM 1333 O HIS A 90 -5.990 -4.019 14.500 1.00 0.00 O ATOM 1334 CB HIS A 90 -9.471 -3.943 15.038 1.00 0.00 C ATOM 1335 CG HIS A 90 -9.062 -4.339 16.422 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -9.656 -5.371 17.118 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -8.110 -3.834 17.242 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -9.090 -5.482 18.306 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -8.148 -4.562 18.406 1.00 0.00 N ATOM 0 H HIS A 90 -9.668 -3.721 12.597 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.986 -2.485 14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.211 -3.145 15.101 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.957 -4.791 14.555 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -10.414 -5.957 16.769 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.445 -3.012 17.022 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.353 -6.203 19.066 1.00 0.00 H new ATOM 1348 N LYS A 91 -7.430 -5.726 14.226 1.00 0.00 N ATOM 1349 CA LYS A 91 -6.414 -6.763 14.346 1.00 0.00 C ATOM 1350 C LYS A 91 -7.074 -8.124 14.537 1.00 0.00 C ATOM 1351 O LYS A 91 -6.608 -9.134 14.013 1.00 0.00 O ATOM 1352 CB LYS A 91 -5.477 -6.463 15.522 1.00 0.00 C ATOM 1353 CG LYS A 91 -5.527 -7.505 16.630 1.00 0.00 C ATOM 1354 CD LYS A 91 -4.440 -7.273 17.666 1.00 0.00 C ATOM 1355 CE LYS A 91 -4.649 -5.962 18.404 1.00 0.00 C ATOM 1356 NZ LYS A 91 -3.811 -4.869 17.839 1.00 0.00 N ATOM 0 H LYS A 91 -8.374 -6.081 14.072 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.826 -6.780 13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.455 -6.390 15.150 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.734 -5.490 15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.503 -7.476 17.114 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.414 -8.500 16.200 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.433 -8.097 18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.465 -7.266 17.178 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.700 -5.679 18.351 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.408 -6.096 19.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.337 -3.973 17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.935 -4.781 18.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.575 -5.088 16.850 1.00 0.00 H new ATOM 1370 N SER A 92 -8.166 -8.133 15.293 1.00 0.00 N ATOM 1371 CA SER A 92 -8.904 -9.361 15.561 1.00 0.00 C ATOM 1372 C SER A 92 -10.195 -9.062 16.315 1.00 0.00 C ATOM 1373 O SER A 92 -10.238 -8.037 17.028 1.00 0.00 O ATOM 1374 CB SER A 92 -8.043 -10.333 16.366 1.00 0.00 C ATOM 1375 OG SER A 92 -7.644 -11.436 15.572 1.00 0.00 O ATOM 1376 OXT SER A 92 -11.152 -9.854 16.187 1.00 0.00 O ATOM 0 H SER A 92 -8.560 -7.301 15.732 1.00 0.00 H new ATOM 0 HA SER A 92 -9.159 -9.820 14.606 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.162 -9.816 16.745 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.602 -10.687 17.232 1.00 0.00 H new ATOM 0 HG SER A 92 -7.181 -11.112 14.771 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.503 1.653 2.498 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.996 1.729 2.780 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.569 0.334 2.968 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.777 -0.444 4.003 1.00 0.00 C HETATM 1387 C5 NAG A 178 13.285 -0.399 3.678 1.00 0.00 C HETATM 1388 C6 NAG A 178 12.426 -1.035 4.755 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.321 3.513 1.845 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.982 4.139 0.628 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.661 2.375 1.664 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.917 0.434 3.403 1.00 0.00 O HETATM 1393 O4 NAG A 178 15.229 -1.819 3.986 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.828 0.949 3.545 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.740 -0.517 6.040 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.412 4.064 2.942 1.00 0.00 O HETATM 0 HO6 NAG A 178 12.170 -0.944 6.713 1.00 0.00 H new HETATM 0 HO3 NAG A 178 17.288 -0.464 3.527 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.621 1.953 0.736 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.712 3.444 0.213 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.224 4.361 -0.124 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.484 5.061 0.921 1.00 0.00 H new HETATM 0 H62 NAG A 178 11.373 -0.856 4.536 1.00 0.00 H new HETATM 0 H61 NAG A 178 12.574 -2.115 4.750 1.00 0.00 H new HETATM 0 H5 NAG A 178 13.183 -0.955 2.746 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.932 -0.001 4.987 1.00 0.00 H new HETATM 0 H3 NAG A 178 15.513 -0.191 2.014 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.156 2.303 3.693 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.957 -2.589 5.108 1.00 0.00 C HETATM 1411 C2 NAG A 179 14.772 -4.032 4.695 1.00 0.00 C HETATM 1412 C3 NAG A 179 14.486 -4.875 5.914 1.00 0.00 C HETATM 1413 C4 NAG A 179 15.583 -4.703 6.944 1.00 0.00 C HETATM 1414 C5 NAG A 179 15.843 -3.232 7.244 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.081 -3.028 8.093 1.00 0.00 C HETATM 1416 C7 NAG A 179 13.413 -5.261 3.126 1.00 0.00 C HETATM 1417 C8 NAG A 179 12.327 -5.229 2.066 1.00 0.00 C HETATM 1418 N2 NAG A 179 13.665 -4.123 3.763 1.00 0.00 N HETATM 1419 O3 NAG A 179 14.412 -6.242 5.540 1.00 0.00 O HETATM 1420 O4 NAG A 179 15.162 -5.332 8.160 1.00 0.00 O HETATM 1421 O5 NAG A 179 16.044 -2.459 6.031 1.00 0.00 O HETATM 1422 O6 NAG A 179 18.246 -3.504 7.433 1.00 0.00 O HETATM 1423 O7 NAG A 179 14.020 -6.307 3.351 1.00 0.00 O HETATM 0 HO6 NAG A 179 18.143 -3.390 6.465 1.00 0.00 H new HETATM 0 HO3 NAG A 179 14.788 -6.356 4.642 1.00 0.00 H new HETATM 0 HN2 NAG A 179 13.076 -3.308 3.595 1.00 0.00 H new HETATM 0 H83 NAG A 179 11.382 -4.932 2.522 1.00 0.00 H new HETATM 0 H82 NAG A 179 12.597 -4.512 1.290 1.00 0.00 H new HETATM 0 H81 NAG A 179 12.221 -6.219 1.623 1.00 0.00 H new HETATM 0 H62 NAG A 179 17.197 -1.968 8.321 1.00 0.00 H new HETATM 0 H61 NAG A 179 16.962 -3.547 9.044 1.00 0.00 H new HETATM 0 H5 NAG A 179 14.955 -2.894 7.778 1.00 0.00 H new HETATM 0 H4 NAG A 179 16.497 -5.148 6.550 1.00 0.00 H new HETATM 0 H3 NAG A 179 13.537 -4.554 6.345 1.00 0.00 H new HETATM 0 H2 NAG A 179 15.681 -4.396 4.216 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.889 -6.421 8.584 1.00 0.00 C HETATM 1438 C2 BMA A 180 15.757 -6.530 10.090 1.00 0.00 C HETATM 1439 C3 BMA A 180 16.420 -7.799 10.592 1.00 0.00 C HETATM 1440 C4 BMA A 180 15.868 -9.004 9.849 1.00 0.00 C HETATM 1441 C5 BMA A 180 16.004 -8.813 8.345 1.00 0.00 C HETATM 1442 C6 BMA A 180 15.351 -9.918 7.550 1.00 0.00 C HETATM 1443 O2 BMA A 180 14.381 -6.556 10.435 1.00 0.00 O HETATM 1444 O3 BMA A 180 16.156 -7.943 12.003 1.00 0.00 O HETATM 1445 O4 BMA A 180 16.591 -10.162 10.238 1.00 0.00 O HETATM 1446 O5 BMA A 180 15.380 -7.584 7.916 1.00 0.00 O HETATM 1447 O6 BMA A 180 15.933 -11.188 7.883 1.00 0.00 O HETATM 0 HO4 BMA A 180 16.675 -10.768 9.472 1.00 0.00 H new HETATM 0 HO2 BMA A 180 13.861 -6.103 9.739 1.00 0.00 H new HETATM 0 H62 BMA A 180 14.280 -9.937 7.754 1.00 0.00 H new HETATM 0 H61 BMA A 180 15.469 -9.726 6.484 1.00 0.00 H new HETATM 0 H5 BMA A 180 17.078 -8.806 8.160 1.00 0.00 H new HETATM 0 H4 BMA A 180 14.812 -9.117 10.096 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.494 -7.737 10.419 1.00 0.00 H new HETATM 0 H2 BMA A 180 16.246 -5.671 10.550 1.00 0.00 H new HETATM 1457 C1 MAN A 181 17.155 -7.442 12.846 1.00 0.00 C HETATM 1458 C2 MAN A 181 18.373 -8.355 12.767 1.00 0.00 C HETATM 1459 C3 MAN A 181 18.082 -9.708 13.403 1.00 0.00 C HETATM 1460 C4 MAN A 181 17.536 -9.527 14.809 1.00 0.00 C HETATM 1461 C5 MAN A 181 16.342 -8.585 14.799 1.00 0.00 C HETATM 1462 C6 MAN A 181 15.845 -8.260 16.194 1.00 0.00 C HETATM 1463 O2 MAN A 181 19.467 -7.741 13.474 1.00 0.00 O HETATM 1464 O3 MAN A 181 19.283 -10.463 13.463 1.00 0.00 O HETATM 1465 O4 MAN A 181 17.132 -10.790 15.318 1.00 0.00 O HETATM 1466 O5 MAN A 181 16.684 -7.331 14.185 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.387 -9.425 16.863 1.00 0.00 O HETATM 0 HO6 MAN A 181 15.074 -9.185 17.760 1.00 0.00 H new HETATM 0 HO4 MAN A 181 16.426 -10.663 15.986 1.00 0.00 H new HETATM 0 HO3 MAN A 181 20.052 -9.856 13.452 1.00 0.00 H new HETATM 0 H62 MAN A 181 16.647 -7.799 16.770 1.00 0.00 H new HETATM 0 H61 MAN A 181 15.037 -7.531 16.134 1.00 0.00 H new HETATM 0 H5 MAN A 181 15.565 -9.107 14.241 1.00 0.00 H new HETATM 0 H4 MAN A 181 18.316 -9.100 15.439 1.00 0.00 H new HETATM 0 H3 MAN A 181 17.339 -10.230 12.800 1.00 0.00 H new HETATM 0 H2 MAN A 181 18.625 -8.505 11.717 1.00 0.00 H new HETATM 1478 C1 MAN A 182 14.930 -12.115 8.148 1.00 0.00 C HETATM 1479 C2 MAN A 182 15.548 -13.483 8.399 1.00 0.00 C HETATM 1480 C3 MAN A 182 16.219 -13.999 7.141 1.00 0.00 C HETATM 1481 C4 MAN A 182 15.223 -14.008 5.992 1.00 0.00 C HETATM 1482 C5 MAN A 182 14.595 -12.630 5.825 1.00 0.00 C HETATM 1483 C6 MAN A 182 13.488 -12.620 4.790 1.00 0.00 C HETATM 1484 O2 MAN A 182 14.493 -14.393 8.756 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.688 -15.321 7.371 1.00 0.00 O HETATM 1486 O4 MAN A 182 15.892 -14.369 4.792 1.00 0.00 O HETATM 1487 O5 MAN A 182 14.011 -12.177 7.061 1.00 0.00 O HETATM 1488 O6 MAN A 182 12.445 -13.516 5.142 1.00 0.00 O HETATM 0 HO6 MAN A 182 12.391 -13.588 6.118 1.00 0.00 H new HETATM 0 HO4 MAN A 182 15.237 -14.686 4.135 1.00 0.00 H new HETATM 0 HO3 MAN A 182 16.164 -15.734 8.089 1.00 0.00 H new HETATM 0 H62 MAN A 182 13.087 -11.611 4.693 1.00 0.00 H new HETATM 0 H61 MAN A 182 13.894 -12.896 3.817 1.00 0.00 H new HETATM 0 H5 MAN A 182 15.406 -11.976 5.506 1.00 0.00 H new HETATM 0 H4 MAN A 182 14.437 -14.731 6.211 1.00 0.00 H new HETATM 0 H3 MAN A 182 17.056 -13.350 6.884 1.00 0.00 H new HETATM 0 H2 MAN A 182 16.290 -13.404 9.194 1.00 0.00 H new HETATM 1499 C1 NAG A 183 14.201 -14.576 10.099 1.00 0.00 C HETATM 1500 C2 NAG A 183 12.798 -15.182 10.185 1.00 0.00 C HETATM 1501 C3 NAG A 183 12.456 -15.532 11.620 1.00 0.00 C HETATM 1502 C4 NAG A 183 13.529 -16.421 12.212 1.00 0.00 C HETATM 1503 C5 NAG A 183 14.900 -15.788 12.035 1.00 0.00 C HETATM 1504 C6 NAG A 183 16.019 -16.702 12.498 1.00 0.00 C HETATM 1505 C7 NAG A 183 11.720 -13.027 10.261 1.00 0.00 C HETATM 1506 C8 NAG A 183 10.766 -12.032 9.619 1.00 0.00 C HETATM 1507 N2 NAG A 183 11.837 -14.219 9.684 1.00 0.00 N HETATM 1508 O3 NAG A 183 11.210 -16.215 11.651 1.00 0.00 O HETATM 1509 O4 NAG A 183 13.266 -16.602 13.616 1.00 0.00 O HETATM 1510 O5 NAG A 183 15.155 -15.485 10.647 1.00 0.00 O HETATM 1511 O6 NAG A 183 16.043 -17.908 11.750 1.00 0.00 O HETATM 1512 O7 NAG A 183 12.347 -12.711 11.272 1.00 0.00 O HETATM 0 HO6 NAG A 183 15.638 -17.756 10.871 1.00 0.00 H new HETATM 0 HO3 NAG A 183 11.310 -17.056 12.145 1.00 0.00 H new HETATM 0 HN2 NAG A 183 11.248 -14.457 8.886 1.00 0.00 H new HETATM 0 H83 NAG A 183 11.086 -11.829 8.597 1.00 0.00 H new HETATM 0 H82 NAG A 183 9.759 -12.449 9.608 1.00 0.00 H new HETATM 0 H81 NAG A 183 10.769 -11.104 10.191 1.00 0.00 H new HETATM 0 H62 NAG A 183 16.976 -16.189 12.396 1.00 0.00 H new HETATM 0 H61 NAG A 183 15.891 -16.930 13.556 1.00 0.00 H new HETATM 0 H5 NAG A 183 14.886 -14.882 12.640 1.00 0.00 H new HETATM 0 H4 NAG A 183 13.518 -17.383 11.700 1.00 0.00 H new HETATM 0 H3 NAG A 183 12.393 -14.614 12.205 1.00 0.00 H new HETATM 0 H2 NAG A 183 12.767 -16.093 9.587 1.00 0.00 H new HETATM 1526 C1 NAG A 184 20.454 -7.152 12.700 1.00 0.00 C HETATM 1527 C2 NAG A 184 21.663 -6.834 13.581 1.00 0.00 C HETATM 1528 C3 NAG A 184 22.791 -6.264 12.738 1.00 0.00 C HETATM 1529 C4 NAG A 184 23.106 -7.198 11.586 1.00 0.00 C HETATM 1530 C5 NAG A 184 21.843 -7.536 10.809 1.00 0.00 C HETATM 1531 C6 NAG A 184 22.088 -8.575 9.733 1.00 0.00 C HETATM 1532 C7 NAG A 184 21.361 -6.190 15.884 1.00 0.00 C HETATM 1533 C8 NAG A 184 20.901 -5.149 16.894 1.00 0.00 C HETATM 1534 N2 NAG A 184 21.286 -5.868 14.596 1.00 0.00 N HETATM 1535 O3 NAG A 184 23.947 -6.109 13.548 1.00 0.00 O HETATM 1536 O4 NAG A 184 24.041 -6.551 10.700 1.00 0.00 O HETATM 1537 O5 NAG A 184 20.828 -8.073 11.679 1.00 0.00 O HETATM 1538 O6 NAG A 184 22.592 -9.782 10.286 1.00 0.00 O HETATM 1539 O7 NAG A 184 21.783 -7.277 16.277 1.00 0.00 O HETATM 0 HO6 NAG A 184 22.197 -9.926 11.171 1.00 0.00 H new HETATM 0 HO3 NAG A 184 24.559 -5.470 13.126 1.00 0.00 H new HETATM 0 HN2 NAG A 184 20.963 -4.940 14.321 1.00 0.00 H new HETATM 0 H83 NAG A 184 21.503 -4.247 16.786 1.00 0.00 H new HETATM 0 H82 NAG A 184 19.853 -4.909 16.717 1.00 0.00 H new HETATM 0 H81 NAG A 184 21.017 -5.545 17.903 1.00 0.00 H new HETATM 0 H62 NAG A 184 21.158 -8.777 9.201 1.00 0.00 H new HETATM 0 H61 NAG A 184 22.796 -8.184 9.002 1.00 0.00 H new HETATM 0 H5 NAG A 184 21.521 -6.599 10.355 1.00 0.00 H new HETATM 0 H4 NAG A 184 23.532 -8.119 11.986 1.00 0.00 H new HETATM 0 H3 NAG A 184 22.485 -5.298 12.338 1.00 0.00 H new HETATM 0 H2 NAG A 184 22.003 -7.754 14.057 1.00 0.00 H new HETATM 1553 C1 GAL A 185 25.382 -6.869 10.860 1.00 0.00 C HETATM 1554 C2 GAL A 185 25.631 -8.317 10.448 1.00 0.00 C HETATM 1555 C3 GAL A 185 27.115 -8.631 10.479 1.00 0.00 C HETATM 1556 C4 GAL A 185 27.892 -7.615 9.665 1.00 0.00 C HETATM 1557 C5 GAL A 185 27.553 -6.199 10.109 1.00 0.00 C HETATM 1558 C6 GAL A 185 28.209 -5.154 9.230 1.00 0.00 C HETATM 1559 O2 GAL A 185 24.958 -9.188 11.346 1.00 0.00 O HETATM 1560 O3 GAL A 185 27.330 -9.925 9.937 1.00 0.00 O HETATM 1561 O4 GAL A 185 27.554 -7.764 8.293 1.00 0.00 O HETATM 1562 O5 GAL A 185 26.135 -5.962 10.043 1.00 0.00 O HETATM 1563 O6 GAL A 185 27.783 -5.278 7.881 1.00 0.00 O HETATM 0 HO6 GAL A 185 28.220 -4.591 7.335 1.00 0.00 H new HETATM 0 HO4 GAL A 185 27.764 -6.936 7.813 1.00 0.00 H new HETATM 0 HO3 GAL A 185 27.510 -9.852 8.976 1.00 0.00 H new HETATM 0 HO2 GAL A 185 24.156 -9.548 10.913 1.00 0.00 H new HETATM 0 H62 GAL A 185 27.966 -4.158 9.601 1.00 0.00 H new HETATM 0 H61 GAL A 185 29.293 -5.258 9.283 1.00 0.00 H new HETATM 0 H5 GAL A 185 27.920 -6.115 11.132 1.00 0.00 H new HETATM 0 H4 GAL A 185 28.958 -7.785 9.815 1.00 0.00 H new HETATM 0 H3 GAL A 185 27.461 -8.593 11.512 1.00 0.00 H new HETATM 0 H2 GAL A 185 25.256 -8.459 9.434 1.00 0.00 H new HETATM 1575 C1 GAL A 186 12.997 -17.899 14.019 1.00 0.00 C HETATM 1576 C2 GAL A 186 12.542 -17.899 15.473 1.00 0.00 C HETATM 1577 C3 GAL A 186 12.119 -19.294 15.898 1.00 0.00 C HETATM 1578 C4 GAL A 186 11.109 -19.866 14.921 1.00 0.00 C HETATM 1579 C5 GAL A 186 11.635 -19.781 13.495 1.00 0.00 C HETATM 1580 C6 GAL A 186 10.613 -20.236 12.473 1.00 0.00 C HETATM 1581 O2 GAL A 186 13.616 -17.466 16.295 1.00 0.00 O HETATM 1582 O3 GAL A 186 11.534 -19.231 17.191 1.00 0.00 O HETATM 1583 O4 GAL A 186 9.901 -19.124 15.017 1.00 0.00 O HETATM 1584 O5 GAL A 186 11.984 -18.427 13.156 1.00 0.00 O HETATM 1585 O6 GAL A 186 9.453 -19.419 12.504 1.00 0.00 O HETATM 0 HO6 GAL A 186 8.812 -19.735 11.834 1.00 0.00 H new HETATM 0 HO4 GAL A 186 9.682 -18.742 14.142 1.00 0.00 H new HETATM 0 HO3 GAL A 186 10.580 -19.024 17.109 1.00 0.00 H new HETATM 0 HO2 GAL A 186 13.330 -17.462 17.232 1.00 0.00 H new HETATM 0 H62 GAL A 186 11.054 -20.207 11.477 1.00 0.00 H new HETATM 0 H61 GAL A 186 10.336 -21.272 12.669 1.00 0.00 H new HETATM 0 H5 GAL A 186 12.506 -20.436 13.465 1.00 0.00 H new HETATM 0 H4 GAL A 186 10.932 -20.913 15.168 1.00 0.00 H new HETATM 0 H3 GAL A 186 12.998 -19.939 15.913 1.00 0.00 H new HETATM 0 H2 GAL A 186 11.691 -17.226 15.578 1.00 0.00 H new