USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 183 NAG O6 : rot -72:sc= 0.589! USER MOD Set 1.2: A 186 GAL O2 : rot -150:sc= -2.8! USER MOD Set 2.1: A 64 SER OG : rot 103:sc= -2.8! USER MOD Set 2.2: A 80 THR OG1 : rot 140:sc= -3.87! USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 THR OG1 : rot -81:sc= -1.77! USER MOD Single : A 1 ALA N :NH3+ -123:sc= -0.685 (180deg=-2.64!) USER MOD Single : A 5 GLN : amide:sc= -1.85! C(o=-1.8!,f=-6.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.273! USER MOD Single : A 13 GLN : amide:sc= -2.05 K(o=-2,f=-4.1!) USER MOD Single : A 15 ASN : amide:sc= -30.3! C(o=-30!,f=-27!) USER MOD Single : A 19 SER OG : rot -60:sc= 1.12 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.11) 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 -87:sc= -4.11! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -0.576 (180deg=-0.665) USER MOD Single : A 47 MET CE :methyl -117:sc= 0 (180deg=-1.4) USER MOD Single : A 50 GLN : amide:sc= -0.634 K(o=-0.63,f=-9.2!) USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.0793 (180deg=-0.606) USER MOD Single : A 52 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1.1) USER MOD Single : A 54 THR OG1 : rot -77:sc= -0.462! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot 160:sc= -3.83! USER MOD Single : A 71 MET CE :methyl -173:sc= -0.876 (180deg=-1.25) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -16.9! C(o=-17!,f=-21!) USER MOD Single : A 83 HIS : no HE2:sc= -23.3! C(o=-23!,f=-18!) USER MOD Single : A 85 SER OG : rot -58:sc= 0.00357 USER MOD Single : A 86 THR OG1 : rot 59:sc= 0.947 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= -0.0986 X(o=-0.099,f=-0.32) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.69 (180deg=-1.96!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.662 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0116 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot -29:sc= 0.0545 USER MOD Single : A 180 BMA O2 : rot 151:sc= 0.0821 USER MOD Single : A 180 BMA O4 : rot 150:sc= -0.0237 USER MOD Single : A 181 MAN O3 : rot 32:sc= 0.0797 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot -39:sc= 0.0197 USER MOD Single : A 182 MAN O3 : rot -0:sc= 0.127 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 26:sc= 0.0122 USER MOD Single : A 183 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O6 : rot -34:sc= 0.0092 USER MOD Single : A 185 GAL O2 : rot 158:sc= -9.02! USER MOD Single : A 185 GAL O3 : rot 90:sc= 0.0776 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.105 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 96:sc= 0.0872 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0951 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.315 -16.514 11.105 1.00 0.00 N ATOM 2 CA ALA A 1 -4.751 -15.453 10.229 1.00 0.00 C ATOM 3 C ALA A 1 -3.434 -14.928 10.790 1.00 0.00 C ATOM 4 O ALA A 1 -3.356 -13.793 11.261 1.00 0.00 O ATOM 5 CB ALA A 1 -5.749 -14.316 10.071 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.453 -17.384 10.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.658 -16.703 11.889 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.229 -16.198 11.488 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.554 -15.888 9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.324 -13.546 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.667 -14.697 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.972 -13.889 11.049 1.00 0.00 H new ATOM 13 N PRO A 2 -2.381 -15.755 10.746 1.00 0.00 N ATOM 14 CA PRO A 2 -1.061 -15.392 11.250 1.00 0.00 C ATOM 15 C PRO A 2 -0.207 -14.677 10.207 1.00 0.00 C ATOM 16 O PRO A 2 0.473 -13.698 10.512 1.00 0.00 O ATOM 17 CB PRO A 2 -0.457 -16.749 11.600 1.00 0.00 C ATOM 18 CG PRO A 2 -1.071 -17.708 10.631 1.00 0.00 C ATOM 19 CD PRO A 2 -2.399 -17.125 10.205 1.00 0.00 C ATOM 0 HA PRO A 2 -1.114 -14.693 12.085 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.629 -16.734 11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.684 -17.028 12.629 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.420 -17.853 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.210 -18.685 11.093 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.504 -17.124 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.234 -17.701 10.605 1.00 0.00 H new ATOM 27 N ASP A 3 -0.242 -15.176 8.977 1.00 0.00 N ATOM 28 CA ASP A 3 0.535 -14.589 7.892 1.00 0.00 C ATOM 29 C ASP A 3 -0.370 -14.114 6.760 1.00 0.00 C ATOM 30 O ASP A 3 -0.063 -14.312 5.583 1.00 0.00 O ATOM 31 CB ASP A 3 1.545 -15.606 7.362 1.00 0.00 C ATOM 32 CG ASP A 3 2.897 -14.984 7.081 1.00 0.00 C ATOM 33 OD1 ASP A 3 3.538 -14.502 8.038 1.00 0.00 O ATOM 34 OD2 ASP A 3 3.314 -14.976 5.904 1.00 0.00 O ATOM 0 H ASP A 3 -0.800 -15.986 8.706 1.00 0.00 H new ATOM 0 HA ASP A 3 1.067 -13.723 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.662 -16.410 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.158 -16.056 6.448 1.00 0.00 H new ATOM 39 N VAL A 4 -1.481 -13.484 7.122 1.00 0.00 N ATOM 40 CA VAL A 4 -2.427 -12.978 6.136 1.00 0.00 C ATOM 41 C VAL A 4 -3.123 -11.720 6.644 1.00 0.00 C ATOM 42 O VAL A 4 -2.938 -11.319 7.793 1.00 0.00 O ATOM 43 CB VAL A 4 -3.486 -14.040 5.776 1.00 0.00 C ATOM 44 CG1 VAL A 4 -2.876 -15.433 5.805 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.679 -13.958 6.717 1.00 0.00 C ATOM 0 H VAL A 4 -1.749 -13.311 8.091 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.857 -12.735 5.239 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.839 -13.839 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.638 -16.169 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.061 -15.488 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.492 -15.641 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.412 -14.717 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.347 -14.128 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.134 -12.970 6.642 1.00 0.00 H new ATOM 55 N GLN A 5 -3.923 -11.101 5.781 1.00 0.00 N ATOM 56 CA GLN A 5 -4.643 -9.888 6.148 1.00 0.00 C ATOM 57 C GLN A 5 -5.811 -9.634 5.199 1.00 0.00 C ATOM 58 O GLN A 5 -5.992 -8.522 4.705 1.00 0.00 O ATOM 59 CB GLN A 5 -3.694 -8.688 6.140 1.00 0.00 C ATOM 60 CG GLN A 5 -3.193 -8.301 7.521 1.00 0.00 C ATOM 61 CD GLN A 5 -4.323 -8.066 8.505 1.00 0.00 C ATOM 62 OE1 GLN A 5 -5.496 -8.230 8.172 1.00 0.00 O ATOM 63 NE2 GLN A 5 -3.974 -7.680 9.727 1.00 0.00 N ATOM 0 H GLN A 5 -4.088 -11.419 4.826 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.042 -10.024 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.839 -8.915 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.205 -7.834 5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.542 -9.088 7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.589 -7.397 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.989 -7.556 9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.691 -7.508 10.432 1.00 0.00 H new ATOM 72 N ASP A 6 -6.601 -10.673 4.951 1.00 0.00 N ATOM 73 CA ASP A 6 -7.753 -10.561 4.064 1.00 0.00 C ATOM 74 C ASP A 6 -7.321 -10.571 2.601 1.00 0.00 C ATOM 75 O ASP A 6 -6.163 -10.846 2.290 1.00 0.00 O ATOM 76 CB ASP A 6 -8.538 -9.283 4.368 1.00 0.00 C ATOM 77 CG ASP A 6 -10.026 -9.448 4.127 1.00 0.00 C ATOM 78 OD1 ASP A 6 -10.435 -9.496 2.947 1.00 0.00 O ATOM 79 OD2 ASP A 6 -10.783 -9.530 5.116 1.00 0.00 O ATOM 0 H ASP A 6 -6.465 -11.601 5.351 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.396 -11.424 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.370 -8.995 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.160 -8.471 3.747 1.00 0.00 H new ATOM 84 N CYS A 7 -8.268 -10.268 1.713 1.00 0.00 N ATOM 85 CA CYS A 7 -8.013 -10.239 0.272 1.00 0.00 C ATOM 86 C CYS A 7 -6.549 -10.528 -0.051 1.00 0.00 C ATOM 87 O CYS A 7 -5.661 -9.743 0.283 1.00 0.00 O ATOM 88 CB CYS A 7 -8.413 -8.881 -0.307 1.00 0.00 C ATOM 89 SG CYS A 7 -7.708 -7.458 0.584 1.00 0.00 S ATOM 0 H CYS A 7 -9.228 -10.037 1.970 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.617 -11.023 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.099 -8.835 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.500 -8.800 -0.298 1.00 0.00 H new ATOM 94 N PRO A 8 -6.285 -11.664 -0.711 1.00 0.00 N ATOM 95 CA PRO A 8 -4.925 -12.071 -1.089 1.00 0.00 C ATOM 96 C PRO A 8 -4.215 -11.014 -1.926 1.00 0.00 C ATOM 97 O PRO A 8 -4.149 -11.119 -3.151 1.00 0.00 O ATOM 98 CB PRO A 8 -5.148 -13.341 -1.916 1.00 0.00 C ATOM 99 CG PRO A 8 -6.474 -13.856 -1.476 1.00 0.00 C ATOM 100 CD PRO A 8 -7.294 -12.645 -1.142 1.00 0.00 C ATOM 0 HA PRO A 8 -4.290 -12.220 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.143 -13.123 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.360 -14.073 -1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.946 -14.443 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.372 -14.510 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.858 -12.290 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.016 -12.853 -0.353 1.00 0.00 H new ATOM 108 N GLU A 9 -3.688 -9.995 -1.260 1.00 0.00 N ATOM 109 CA GLU A 9 -2.986 -8.920 -1.948 1.00 0.00 C ATOM 110 C GLU A 9 -2.746 -7.740 -1.011 1.00 0.00 C ATOM 111 O GLU A 9 -3.101 -7.785 0.167 1.00 0.00 O ATOM 112 CB GLU A 9 -3.783 -8.473 -3.174 1.00 0.00 C ATOM 113 CG GLU A 9 -5.280 -8.391 -2.931 1.00 0.00 C ATOM 114 CD GLU A 9 -6.078 -9.216 -3.922 1.00 0.00 C ATOM 115 OE1 GLU A 9 -5.655 -9.309 -5.094 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.126 -9.768 -3.525 1.00 0.00 O ATOM 0 H GLU A 9 -3.733 -9.890 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.016 -9.296 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.422 -7.496 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.594 -9.168 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.499 -8.733 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.598 -7.350 -2.992 1.00 0.00 H new ATOM 123 N CYS A 10 -2.134 -6.689 -1.546 1.00 0.00 N ATOM 124 CA CYS A 10 -1.832 -5.489 -0.768 1.00 0.00 C ATOM 125 C CYS A 10 -0.528 -5.665 0.002 1.00 0.00 C ATOM 126 O CYS A 10 -0.516 -6.207 1.108 1.00 0.00 O ATOM 127 CB CYS A 10 -2.974 -5.164 0.202 1.00 0.00 C ATOM 128 SG CYS A 10 -3.676 -3.492 -0.004 1.00 0.00 S ATOM 0 H CYS A 10 -1.835 -6.642 -2.520 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.722 -4.657 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.768 -5.898 0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.609 -5.270 1.224 1.00 0.00 H new ATOM 133 N THR A 11 0.571 -5.207 -0.591 1.00 0.00 N ATOM 134 CA THR A 11 1.879 -5.318 0.039 1.00 0.00 C ATOM 135 C THR A 11 2.833 -4.296 -0.553 1.00 0.00 C ATOM 136 O THR A 11 2.542 -3.106 -0.571 1.00 0.00 O ATOM 137 CB THR A 11 2.433 -6.735 -0.131 1.00 0.00 C ATOM 138 OG1 THR A 11 3.814 -6.777 0.182 1.00 0.00 O ATOM 139 CG2 THR A 11 2.260 -7.283 -1.530 1.00 0.00 C ATOM 0 H THR A 11 0.580 -4.756 -1.506 1.00 0.00 H new ATOM 0 HA THR A 11 1.774 -5.117 1.105 1.00 0.00 H new ATOM 0 HB THR A 11 1.855 -7.353 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.147 -7.692 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.674 -8.290 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.200 -7.314 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.781 -6.640 -2.240 1.00 0.00 H new ATOM 147 N LEU A 12 3.966 -4.762 -1.037 1.00 0.00 N ATOM 148 CA LEU A 12 4.952 -3.878 -1.635 1.00 0.00 C ATOM 149 C LEU A 12 5.455 -4.439 -2.949 1.00 0.00 C ATOM 150 O LEU A 12 5.834 -5.606 -3.036 1.00 0.00 O ATOM 151 CB LEU A 12 6.099 -3.635 -0.672 1.00 0.00 C ATOM 152 CG LEU A 12 5.850 -2.493 0.308 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.644 -2.794 1.182 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.082 -2.259 1.153 1.00 0.00 C ATOM 0 H LEU A 12 4.229 -5.747 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 12 4.473 -2.921 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.288 -4.549 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.002 -3.420 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 12 5.639 -1.584 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.482 -1.968 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.762 -2.920 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.822 -3.710 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.895 -1.442 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.318 -3.165 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.922 -2.001 0.508 1.00 0.00 H new ATOM 166 N GLN A 13 5.440 -3.602 -3.978 1.00 0.00 N ATOM 167 CA GLN A 13 5.878 -4.027 -5.292 1.00 0.00 C ATOM 168 C GLN A 13 7.217 -3.443 -5.648 1.00 0.00 C ATOM 169 O GLN A 13 7.376 -2.780 -6.671 1.00 0.00 O ATOM 170 CB GLN A 13 4.865 -3.644 -6.336 1.00 0.00 C ATOM 171 CG GLN A 13 3.529 -4.332 -6.148 1.00 0.00 C ATOM 172 CD GLN A 13 2.788 -4.542 -7.453 1.00 0.00 C ATOM 173 OE1 GLN A 13 2.513 -3.590 -8.184 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.458 -5.793 -7.749 1.00 0.00 N ATOM 0 H GLN A 13 5.131 -2.632 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 13 5.977 -5.112 -5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.718 -2.564 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.258 -3.890 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.687 -5.297 -5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.911 -3.737 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.707 -6.550 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.955 -5.997 -8.613 1.00 0.00 H new ATOM 183 N GLU A 14 8.156 -3.700 -4.774 1.00 0.00 N ATOM 184 CA GLU A 14 9.526 -3.222 -4.920 1.00 0.00 C ATOM 185 C GLU A 14 9.693 -2.413 -6.187 1.00 0.00 C ATOM 186 O GLU A 14 9.422 -2.873 -7.297 1.00 0.00 O ATOM 187 CB GLU A 14 10.532 -4.362 -4.913 1.00 0.00 C ATOM 188 CG GLU A 14 11.973 -3.890 -4.756 1.00 0.00 C ATOM 189 CD GLU A 14 12.976 -4.894 -5.289 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.577 -6.048 -5.553 1.00 0.00 O ATOM 191 OE2 GLU A 14 14.160 -4.527 -5.441 1.00 0.00 O ATOM 0 H GLU A 14 8.000 -4.251 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 14 9.723 -2.584 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.290 -5.047 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.440 -4.925 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.100 -2.942 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.177 -3.702 -3.702 1.00 0.00 H new ATOM 198 N ASN A 15 10.134 -1.203 -5.987 1.00 0.00 N ATOM 199 CA ASN A 15 10.348 -0.255 -7.054 1.00 0.00 C ATOM 200 C ASN A 15 11.196 -0.818 -8.181 1.00 0.00 C ATOM 201 O ASN A 15 12.416 -0.927 -8.057 1.00 0.00 O ATOM 202 CB ASN A 15 11.018 0.971 -6.489 1.00 0.00 C ATOM 203 CG ASN A 15 10.220 2.217 -6.734 1.00 0.00 C ATOM 204 OD1 ASN A 15 9.028 2.160 -7.034 1.00 0.00 O ATOM 205 ND2 ASN A 15 10.872 3.351 -6.578 1.00 0.00 N ATOM 0 H ASN A 15 10.360 -0.837 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 15 9.374 -0.011 -7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.165 0.841 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.006 1.081 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.388 4.240 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.861 3.341 -6.329 1.00 0.00 H new ATOM 212 N PRO A 16 10.564 -1.168 -9.308 1.00 0.00 N ATOM 213 CA PRO A 16 11.277 -1.699 -10.466 1.00 0.00 C ATOM 214 C PRO A 16 12.143 -0.643 -11.140 1.00 0.00 C ATOM 215 O PRO A 16 12.723 -0.877 -12.200 1.00 0.00 O ATOM 216 CB PRO A 16 10.156 -2.167 -11.395 1.00 0.00 C ATOM 217 CG PRO A 16 8.982 -1.329 -11.019 1.00 0.00 C ATOM 218 CD PRO A 16 9.115 -1.064 -9.544 1.00 0.00 C ATOM 0 HA PRO A 16 11.969 -2.496 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.424 -2.027 -12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.946 -3.228 -11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.972 -0.396 -11.583 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.048 -1.845 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.734 -0.078 -9.277 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.558 -1.792 -8.953 1.00 0.00 H new ATOM 226 N PHE A 17 12.240 0.512 -10.497 1.00 0.00 N ATOM 227 CA PHE A 17 13.053 1.612 -11.001 1.00 0.00 C ATOM 228 C PHE A 17 14.234 1.849 -10.089 1.00 0.00 C ATOM 229 O PHE A 17 15.391 1.791 -10.505 1.00 0.00 O ATOM 230 CB PHE A 17 12.266 2.915 -11.065 1.00 0.00 C ATOM 231 CG PHE A 17 10.909 2.865 -10.449 1.00 0.00 C ATOM 232 CD1 PHE A 17 9.976 1.931 -10.851 1.00 0.00 C ATOM 233 CD2 PHE A 17 10.568 3.776 -9.468 1.00 0.00 C ATOM 234 CE1 PHE A 17 8.721 1.904 -10.279 1.00 0.00 C ATOM 235 CE2 PHE A 17 9.319 3.759 -8.893 1.00 0.00 C ATOM 236 CZ PHE A 17 8.390 2.821 -9.299 1.00 0.00 C ATOM 0 H PHE A 17 11.762 0.713 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 17 13.376 1.328 -12.003 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.844 3.695 -10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.163 3.208 -12.110 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.230 1.216 -11.619 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.292 4.511 -9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.998 1.167 -10.596 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.065 4.477 -8.127 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.407 2.804 -8.852 1.00 0.00 H new ATOM 246 N PHE A 18 13.916 2.139 -8.838 1.00 0.00 N ATOM 247 CA PHE A 18 14.929 2.416 -7.844 1.00 0.00 C ATOM 248 C PHE A 18 15.676 1.144 -7.474 1.00 0.00 C ATOM 249 O PHE A 18 16.758 1.188 -6.892 1.00 0.00 O ATOM 250 CB PHE A 18 14.297 3.026 -6.596 1.00 0.00 C ATOM 251 CG PHE A 18 15.146 4.075 -5.933 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.457 3.805 -5.572 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.629 5.334 -5.668 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.235 4.768 -4.960 1.00 0.00 C ATOM 255 CE2 PHE A 18 15.404 6.303 -5.056 1.00 0.00 C ATOM 256 CZ PHE A 18 16.709 6.019 -4.702 1.00 0.00 C ATOM 0 H PHE A 18 12.959 2.188 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 18 15.636 3.129 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 18 13.337 3.467 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.093 2.231 -5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.875 2.829 -5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.609 5.561 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.254 4.543 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.990 7.280 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.317 6.774 -4.225 1.00 0.00 H new ATOM 266 N SER A 19 15.081 0.009 -7.815 1.00 0.00 N ATOM 267 CA SER A 19 15.681 -1.285 -7.514 1.00 0.00 C ATOM 268 C SER A 19 17.128 -1.341 -7.995 1.00 0.00 C ATOM 269 O SER A 19 17.409 -1.830 -9.088 1.00 0.00 O ATOM 270 CB SER A 19 14.871 -2.413 -8.159 1.00 0.00 C ATOM 271 OG SER A 19 15.715 -3.470 -8.582 1.00 0.00 O ATOM 0 H SER A 19 14.185 -0.043 -8.299 1.00 0.00 H new ATOM 0 HA SER A 19 15.672 -1.416 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.138 -2.792 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.315 -2.024 -9.012 1.00 0.00 H new ATOM 0 HG SER A 19 16.360 -3.131 -9.237 1.00 0.00 H new ATOM 277 N GLN A 20 18.041 -0.834 -7.173 1.00 0.00 N ATOM 278 CA GLN A 20 19.459 -0.824 -7.517 1.00 0.00 C ATOM 279 C GLN A 20 20.271 -1.639 -6.517 1.00 0.00 C ATOM 280 O GLN A 20 19.830 -1.882 -5.395 1.00 0.00 O ATOM 281 CB GLN A 20 19.983 0.614 -7.549 1.00 0.00 C ATOM 282 CG GLN A 20 19.368 1.465 -8.645 1.00 0.00 C ATOM 283 CD GLN A 20 20.018 1.230 -9.997 1.00 0.00 C ATOM 284 OE1 GLN A 20 19.561 0.400 -10.783 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.092 1.961 -10.273 1.00 0.00 N ATOM 0 H GLN A 20 17.825 -0.425 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 20 19.569 -1.275 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.788 1.083 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.065 0.594 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.302 1.247 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.461 2.518 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.437 2.638 -9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.572 1.846 -11.166 1.00 0.00 H new ATOM 294 N PRO A 21 21.482 -2.061 -6.915 1.00 0.00 N ATOM 295 CA PRO A 21 22.376 -2.840 -6.053 1.00 0.00 C ATOM 296 C PRO A 21 22.643 -2.126 -4.735 1.00 0.00 C ATOM 297 O PRO A 21 23.730 -1.593 -4.511 1.00 0.00 O ATOM 298 CB PRO A 21 23.671 -2.953 -6.873 1.00 0.00 C ATOM 299 CG PRO A 21 23.550 -1.919 -7.943 1.00 0.00 C ATOM 300 CD PRO A 21 22.084 -1.800 -8.229 1.00 0.00 C ATOM 0 HA PRO A 21 21.950 -3.807 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.548 -2.774 -6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.781 -3.950 -7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.963 -0.965 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.100 -2.214 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.823 -0.811 -8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.756 -2.523 -8.976 1.00 0.00 H new ATOM 308 N GLY A 22 21.638 -2.108 -3.871 1.00 0.00 N ATOM 309 CA GLY A 22 21.769 -1.446 -2.589 1.00 0.00 C ATOM 310 C GLY A 22 20.487 -0.757 -2.176 1.00 0.00 C ATOM 311 O GLY A 22 20.336 -0.353 -1.024 1.00 0.00 O ATOM 0 H GLY A 22 20.730 -2.542 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 22 22.049 -2.177 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.575 -0.714 -2.639 1.00 0.00 H new ATOM 315 N ALA A 23 19.563 -0.618 -3.121 1.00 0.00 N ATOM 316 CA ALA A 23 18.292 0.033 -2.841 1.00 0.00 C ATOM 317 C ALA A 23 17.181 -0.505 -3.713 1.00 0.00 C ATOM 318 O ALA A 23 17.063 -0.180 -4.895 1.00 0.00 O ATOM 319 CB ALA A 23 18.428 1.537 -2.997 1.00 0.00 C ATOM 0 H ALA A 23 19.671 -0.946 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 23 18.022 -0.189 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.471 2.013 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.180 1.908 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.731 1.771 -4.017 1.00 0.00 H new ATOM 325 N PRO A 24 16.364 -1.364 -3.112 1.00 0.00 N ATOM 326 CA PRO A 24 15.247 -2.020 -3.745 1.00 0.00 C ATOM 327 C PRO A 24 13.917 -1.418 -3.339 1.00 0.00 C ATOM 328 O PRO A 24 13.061 -2.091 -2.767 1.00 0.00 O ATOM 329 CB PRO A 24 15.408 -3.425 -3.182 1.00 0.00 C ATOM 330 CG PRO A 24 16.000 -3.233 -1.809 1.00 0.00 C ATOM 331 CD PRO A 24 16.481 -1.809 -1.728 1.00 0.00 C ATOM 0 HA PRO A 24 15.244 -1.949 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.449 -3.941 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.061 -4.030 -3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.256 -3.432 -1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.824 -3.928 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.868 -1.210 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.507 -1.746 -1.366 1.00 0.00 H new ATOM 339 N ILE A 25 13.769 -0.143 -3.641 1.00 0.00 N ATOM 340 CA ILE A 25 12.582 0.614 -3.338 1.00 0.00 C ATOM 341 C ILE A 25 11.292 -0.174 -3.530 1.00 0.00 C ATOM 342 O ILE A 25 11.313 -1.381 -3.757 1.00 0.00 O ATOM 343 CB ILE A 25 12.596 1.874 -4.186 1.00 0.00 C ATOM 344 CG1 ILE A 25 13.769 2.709 -3.736 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.313 2.660 -4.017 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.782 2.849 -2.238 1.00 0.00 C ATOM 0 H ILE A 25 14.489 0.402 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 25 12.598 0.867 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 25 12.682 1.609 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.699 2.249 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.717 3.695 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.351 3.557 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.467 2.045 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.196 2.945 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.636 3.455 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.861 3.331 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.858 1.862 -1.781 1.00 0.00 H new ATOM 358 N LEU A 26 10.164 0.510 -3.343 1.00 0.00 N ATOM 359 CA LEU A 26 8.862 -0.127 -3.385 1.00 0.00 C ATOM 360 C LEU A 26 7.753 0.793 -3.811 1.00 0.00 C ATOM 361 O LEU A 26 7.964 1.847 -4.405 1.00 0.00 O ATOM 362 CB LEU A 26 8.604 -0.572 -1.973 1.00 0.00 C ATOM 363 CG LEU A 26 9.845 -0.416 -1.124 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.503 -0.195 0.331 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.760 -1.616 -1.284 1.00 0.00 C ATOM 0 H LEU A 26 10.133 1.513 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 26 8.875 -0.934 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.790 0.014 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.284 -1.614 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 26 10.372 0.471 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.421 -0.088 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.904 0.710 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.937 -1.048 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.647 -1.483 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.233 -2.519 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.058 -1.710 -2.328 1.00 0.00 H new ATOM 377 N GLN A 27 6.562 0.357 -3.474 1.00 0.00 N ATOM 378 CA GLN A 27 5.353 1.109 -3.781 1.00 0.00 C ATOM 379 C GLN A 27 4.112 0.234 -3.658 1.00 0.00 C ATOM 380 O GLN A 27 3.430 -0.050 -4.642 1.00 0.00 O ATOM 381 CB GLN A 27 5.454 1.721 -5.176 1.00 0.00 C ATOM 382 CG GLN A 27 4.116 2.113 -5.782 1.00 0.00 C ATOM 383 CD GLN A 27 4.259 3.133 -6.895 1.00 0.00 C ATOM 384 OE1 GLN A 27 5.183 3.059 -7.705 1.00 0.00 O ATOM 385 NE2 GLN A 27 3.342 4.092 -6.940 1.00 0.00 N ATOM 0 H GLN A 27 6.397 -0.522 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 27 5.258 1.915 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.091 2.604 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.946 1.009 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.622 1.223 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.472 2.519 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.593 4.115 -6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.386 4.806 -7.667 1.00 0.00 H new ATOM 394 N CYS A 28 3.835 -0.187 -2.428 1.00 0.00 N ATOM 395 CA CYS A 28 2.683 -1.031 -2.127 1.00 0.00 C ATOM 396 C CYS A 28 1.642 -0.971 -3.233 1.00 0.00 C ATOM 397 O CYS A 28 1.045 0.074 -3.485 1.00 0.00 O ATOM 398 CB CYS A 28 2.046 -0.617 -0.798 1.00 0.00 C ATOM 399 SG CYS A 28 0.514 -1.507 -0.383 1.00 0.00 S ATOM 0 H CYS A 28 4.402 0.047 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 28 3.043 -2.057 -2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.770 -0.774 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.833 0.451 -0.829 1.00 0.00 H new ATOM 404 N MET A 29 1.426 -2.104 -3.884 1.00 0.00 N ATOM 405 CA MET A 29 0.448 -2.184 -4.961 1.00 0.00 C ATOM 406 C MET A 29 -0.313 -3.499 -4.888 1.00 0.00 C ATOM 407 O MET A 29 0.122 -4.512 -5.436 1.00 0.00 O ATOM 408 CB MET A 29 1.135 -2.041 -6.321 1.00 0.00 C ATOM 409 CG MET A 29 0.937 -0.676 -6.962 1.00 0.00 C ATOM 410 SD MET A 29 2.341 -0.172 -7.974 1.00 0.00 S ATOM 411 CE MET A 29 1.724 -0.534 -9.616 1.00 0.00 C ATOM 0 H MET A 29 1.912 -2.979 -3.687 1.00 0.00 H new ATOM 0 HA MET A 29 -0.261 -1.365 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.203 -2.225 -6.201 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.753 -2.808 -6.994 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.038 -0.696 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.772 0.067 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.482 -0.275 -10.355 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.492 -1.596 -9.691 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.822 0.049 -9.802 1.00 0.00 H new ATOM 421 N GLY A 30 -1.447 -3.478 -4.196 1.00 0.00 N ATOM 422 CA GLY A 30 -2.246 -4.678 -4.050 1.00 0.00 C ATOM 423 C GLY A 30 -3.703 -4.384 -3.750 1.00 0.00 C ATOM 424 O GLY A 30 -4.261 -3.405 -4.244 1.00 0.00 O ATOM 0 H GLY A 30 -1.826 -2.651 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.180 -5.266 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.831 -5.289 -3.248 1.00 0.00 H new ATOM 428 N CYS A 31 -4.316 -5.241 -2.936 1.00 0.00 N ATOM 429 CA CYS A 31 -5.717 -5.088 -2.558 1.00 0.00 C ATOM 430 C CYS A 31 -6.124 -3.620 -2.536 1.00 0.00 C ATOM 431 O CYS A 31 -5.294 -2.738 -2.321 1.00 0.00 O ATOM 432 CB CYS A 31 -5.967 -5.717 -1.186 1.00 0.00 C ATOM 433 SG CYS A 31 -7.729 -5.970 -0.795 1.00 0.00 S ATOM 0 H CYS A 31 -3.859 -6.054 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.323 -5.600 -3.305 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.454 -6.677 -1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.523 -5.081 -0.420 1.00 0.00 H new ATOM 438 N CYS A 32 -7.409 -3.368 -2.764 1.00 0.00 N ATOM 439 CA CYS A 32 -7.934 -2.008 -2.777 1.00 0.00 C ATOM 440 C CYS A 32 -7.629 -1.328 -4.107 1.00 0.00 C ATOM 441 O CYS A 32 -7.811 -0.120 -4.254 1.00 0.00 O ATOM 442 CB CYS A 32 -7.351 -1.195 -1.617 1.00 0.00 C ATOM 443 SG CYS A 32 -7.630 -1.935 0.025 1.00 0.00 S ATOM 0 H CYS A 32 -8.107 -4.090 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.016 -2.058 -2.655 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.279 -1.077 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.787 -0.196 -1.632 1.00 0.00 H new ATOM 448 N PHE A 33 -7.169 -2.118 -5.075 1.00 0.00 N ATOM 449 CA PHE A 33 -6.845 -1.598 -6.400 1.00 0.00 C ATOM 450 C PHE A 33 -7.979 -1.869 -7.382 1.00 0.00 C ATOM 451 O PHE A 33 -7.801 -1.768 -8.596 1.00 0.00 O ATOM 452 CB PHE A 33 -5.538 -2.207 -6.927 1.00 0.00 C ATOM 453 CG PHE A 33 -5.379 -3.679 -6.654 1.00 0.00 C ATOM 454 CD1 PHE A 33 -6.483 -4.487 -6.430 1.00 0.00 C ATOM 455 CD2 PHE A 33 -4.118 -4.253 -6.621 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.330 -5.838 -6.177 1.00 0.00 C ATOM 457 CE2 PHE A 33 -3.961 -5.603 -6.368 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.066 -6.397 -6.145 1.00 0.00 C ATOM 0 H PHE A 33 -7.013 -3.120 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.712 -0.520 -6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.483 -2.042 -8.003 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.698 -1.675 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.473 -4.057 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.247 -3.638 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.198 -6.457 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.972 -6.036 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.945 -7.452 -5.946 1.00 0.00 H new ATOM 468 N SER A 34 -9.147 -2.208 -6.849 1.00 0.00 N ATOM 469 CA SER A 34 -10.315 -2.490 -7.678 1.00 0.00 C ATOM 470 C SER A 34 -11.539 -1.737 -7.166 1.00 0.00 C ATOM 471 O SER A 34 -12.383 -1.300 -7.948 1.00 0.00 O ATOM 472 CB SER A 34 -10.598 -3.994 -7.701 1.00 0.00 C ATOM 473 OG SER A 34 -10.333 -4.584 -6.440 1.00 0.00 O ATOM 0 H SER A 34 -9.311 -2.295 -5.846 1.00 0.00 H new ATOM 0 HA SER A 34 -10.101 -2.152 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.639 -4.167 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.984 -4.471 -8.465 1.00 0.00 H new ATOM 0 HG SER A 34 -10.524 -5.544 -6.482 1.00 0.00 H new ATOM 479 N ARG A 35 -11.629 -1.594 -5.847 1.00 0.00 N ATOM 480 CA ARG A 35 -12.748 -0.897 -5.221 1.00 0.00 C ATOM 481 C ARG A 35 -13.303 0.192 -6.135 1.00 0.00 C ATOM 482 O ARG A 35 -12.839 1.332 -6.114 1.00 0.00 O ATOM 483 CB ARG A 35 -12.309 -0.285 -3.889 1.00 0.00 C ATOM 484 CG ARG A 35 -13.337 -0.446 -2.782 1.00 0.00 C ATOM 485 CD ARG A 35 -13.504 0.838 -1.986 1.00 0.00 C ATOM 486 NE ARG A 35 -13.724 1.993 -2.853 1.00 0.00 N ATOM 487 CZ ARG A 35 -13.524 3.248 -2.468 1.00 0.00 C ATOM 488 NH1 ARG A 35 -13.114 3.508 -1.234 1.00 0.00 N ATOM 489 NH2 ARG A 35 -13.736 4.245 -3.316 1.00 0.00 N ATOM 0 H ARG A 35 -10.937 -1.953 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.539 -1.626 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.373 -0.748 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.106 0.776 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.295 -0.735 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.032 -1.252 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.345 0.733 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.616 1.005 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.049 1.826 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.952 2.743 -0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.961 4.473 -0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.053 4.048 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.582 5.209 -3.019 1.00 0.00 H new ATOM 503 N ALA A 36 -14.302 -0.168 -6.938 1.00 0.00 N ATOM 504 CA ALA A 36 -14.919 0.780 -7.858 1.00 0.00 C ATOM 505 C ALA A 36 -15.975 0.102 -8.719 1.00 0.00 C ATOM 506 O ALA A 36 -16.160 0.453 -9.885 1.00 0.00 O ATOM 507 CB ALA A 36 -13.864 1.421 -8.737 1.00 0.00 C ATOM 0 H ALA A 36 -14.699 -1.107 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.408 1.554 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.338 2.127 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.142 1.949 -8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.351 0.650 -9.312 1.00 0.00 H new ATOM 513 N TYR A 37 -16.660 -0.869 -8.129 1.00 0.00 N ATOM 514 CA TYR A 37 -17.709 -1.617 -8.820 1.00 0.00 C ATOM 515 C TYR A 37 -18.191 -0.886 -10.066 1.00 0.00 C ATOM 516 O TYR A 37 -18.469 0.313 -10.026 1.00 0.00 O ATOM 517 CB TYR A 37 -18.892 -1.856 -7.883 1.00 0.00 C ATOM 518 CG TYR A 37 -18.650 -2.938 -6.858 1.00 0.00 C ATOM 519 CD1 TYR A 37 -18.814 -4.277 -7.185 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.260 -2.620 -5.564 1.00 0.00 C ATOM 521 CE1 TYR A 37 -18.595 -5.271 -6.250 1.00 0.00 C ATOM 522 CE2 TYR A 37 -18.038 -3.606 -4.624 1.00 0.00 C ATOM 523 CZ TYR A 37 -18.208 -4.930 -4.972 1.00 0.00 C ATOM 524 OH TYR A 37 -17.989 -5.917 -4.038 1.00 0.00 O ATOM 0 H TYR A 37 -16.508 -1.161 -7.164 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.282 -2.572 -9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -19.128 -0.926 -7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -19.766 -2.121 -8.477 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.118 -4.546 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.128 -1.584 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.726 -6.309 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.733 -3.343 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.721 -5.509 -3.188 1.00 0.00 H new ATOM 534 N PRO A 38 -18.308 -1.606 -11.190 1.00 0.00 N ATOM 535 CA PRO A 38 -18.772 -1.027 -12.453 1.00 0.00 C ATOM 536 C PRO A 38 -20.079 -0.261 -12.274 1.00 0.00 C ATOM 537 O PRO A 38 -20.484 0.034 -11.149 1.00 0.00 O ATOM 538 CB PRO A 38 -18.983 -2.252 -13.345 1.00 0.00 C ATOM 539 CG PRO A 38 -18.051 -3.278 -12.798 1.00 0.00 C ATOM 540 CD PRO A 38 -18.008 -3.044 -11.313 1.00 0.00 C ATOM 0 HA PRO A 38 -18.067 -0.305 -12.865 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -20.017 -2.596 -13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.758 -2.027 -14.388 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -18.401 -4.285 -13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -17.059 -3.179 -13.238 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.742 -3.655 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -17.032 -3.289 -10.895 1.00 0.00 H new ATOM 548 N THR A 39 -20.740 0.058 -13.380 1.00 0.00 N ATOM 549 CA THR A 39 -22.003 0.787 -13.320 1.00 0.00 C ATOM 550 C THR A 39 -22.506 1.137 -14.717 1.00 0.00 C ATOM 551 O THR A 39 -21.844 0.861 -15.717 1.00 0.00 O ATOM 552 CB THR A 39 -21.842 2.059 -12.487 1.00 0.00 C ATOM 553 OG1 THR A 39 -20.482 2.270 -12.151 1.00 0.00 O ATOM 554 CG2 THR A 39 -22.636 2.032 -11.199 1.00 0.00 C ATOM 0 H THR A 39 -20.427 -0.174 -14.323 1.00 0.00 H new ATOM 0 HA THR A 39 -22.741 0.140 -12.846 1.00 0.00 H new ATOM 0 HB THR A 39 -22.222 2.866 -13.113 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.271 1.788 -11.324 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.478 2.963 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.696 1.920 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 39 -22.306 1.193 -10.586 1.00 0.00 H new ATOM 562 N PRO A 40 -23.699 1.747 -14.798 1.00 0.00 N ATOM 563 CA PRO A 40 -24.307 2.134 -16.066 1.00 0.00 C ATOM 564 C PRO A 40 -23.824 3.493 -16.567 1.00 0.00 C ATOM 565 O PRO A 40 -23.129 3.578 -17.579 1.00 0.00 O ATOM 566 CB PRO A 40 -25.796 2.180 -15.727 1.00 0.00 C ATOM 567 CG PRO A 40 -25.861 2.525 -14.272 1.00 0.00 C ATOM 568 CD PRO A 40 -24.550 2.102 -13.650 1.00 0.00 C ATOM 0 HA PRO A 40 -24.053 1.444 -16.870 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.314 2.925 -16.331 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -26.274 1.221 -15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -26.022 3.595 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.696 2.014 -13.793 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -24.110 2.908 -13.063 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.684 1.255 -12.977 1.00 0.00 H new ATOM 576 N LEU A 41 -24.202 4.553 -15.860 1.00 0.00 N ATOM 577 CA LEU A 41 -23.812 5.907 -16.243 1.00 0.00 C ATOM 578 C LEU A 41 -22.424 6.255 -15.716 1.00 0.00 C ATOM 579 O LEU A 41 -21.870 7.304 -16.047 1.00 0.00 O ATOM 580 CB LEU A 41 -24.835 6.918 -15.722 1.00 0.00 C ATOM 581 CG LEU A 41 -26.277 6.413 -15.673 1.00 0.00 C ATOM 582 CD1 LEU A 41 -27.193 7.471 -15.076 1.00 0.00 C ATOM 583 CD2 LEU A 41 -26.748 6.021 -17.065 1.00 0.00 C ATOM 0 H LEU A 41 -24.777 4.502 -15.019 1.00 0.00 H new ATOM 0 HA LEU A 41 -23.783 5.951 -17.332 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.540 7.226 -14.719 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.799 7.806 -16.352 1.00 0.00 H new ATOM 0 HG LEU A 41 -26.313 5.530 -15.035 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -28.215 7.094 -15.049 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -26.866 7.706 -14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -27.155 8.372 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -27.776 5.663 -17.014 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -26.698 6.888 -17.724 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.108 5.230 -17.456 1.00 0.00 H new ATOM 595 N ARG A 42 -21.864 5.373 -14.894 1.00 0.00 N ATOM 596 CA ARG A 42 -20.539 5.595 -14.325 1.00 0.00 C ATOM 597 C ARG A 42 -19.456 5.440 -15.390 1.00 0.00 C ATOM 598 O ARG A 42 -19.433 4.453 -16.124 1.00 0.00 O ATOM 599 CB ARG A 42 -20.284 4.617 -13.179 1.00 0.00 C ATOM 600 CG ARG A 42 -19.190 5.070 -12.225 1.00 0.00 C ATOM 601 CD ARG A 42 -19.742 5.359 -10.838 1.00 0.00 C ATOM 602 NE ARG A 42 -20.070 6.773 -10.663 1.00 0.00 N ATOM 603 CZ ARG A 42 -21.287 7.278 -10.848 1.00 0.00 C ATOM 604 NH1 ARG A 42 -22.290 6.491 -11.215 1.00 0.00 N ATOM 605 NH2 ARG A 42 -21.502 8.574 -10.666 1.00 0.00 N ATOM 0 H ARG A 42 -22.306 4.500 -14.607 1.00 0.00 H new ATOM 0 HA ARG A 42 -20.503 6.614 -13.940 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -21.209 4.478 -12.619 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -20.014 3.646 -13.594 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.422 4.299 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -18.710 5.965 -12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -20.635 4.756 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -19.010 5.061 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 42 -19.323 7.409 -10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -22.130 5.494 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -23.221 6.883 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.734 9.184 -10.384 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -22.435 8.961 -10.808 1.00 0.00 H new ATOM 619 N SER A 43 -18.563 6.421 -15.469 1.00 0.00 N ATOM 620 CA SER A 43 -17.479 6.391 -16.446 1.00 0.00 C ATOM 621 C SER A 43 -16.127 6.606 -15.774 1.00 0.00 C ATOM 622 O SER A 43 -16.045 6.748 -14.554 1.00 0.00 O ATOM 623 CB SER A 43 -17.703 7.457 -17.521 1.00 0.00 C ATOM 624 OG SER A 43 -18.981 8.054 -17.390 1.00 0.00 O ATOM 0 H SER A 43 -18.568 7.246 -14.869 1.00 0.00 H new ATOM 0 HA SER A 43 -17.476 5.406 -16.914 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.931 8.223 -17.444 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.608 7.007 -18.509 1.00 0.00 H new ATOM 0 HG SER A 43 -19.098 8.732 -18.088 1.00 0.00 H new ATOM 630 N LYS A 44 -15.069 6.628 -16.578 1.00 0.00 N ATOM 631 CA LYS A 44 -13.719 6.824 -16.061 1.00 0.00 C ATOM 632 C LYS A 44 -13.597 8.169 -15.351 1.00 0.00 C ATOM 633 O LYS A 44 -13.694 8.248 -14.127 1.00 0.00 O ATOM 634 CB LYS A 44 -12.698 6.738 -17.197 1.00 0.00 C ATOM 635 CG LYS A 44 -11.755 5.549 -17.081 1.00 0.00 C ATOM 636 CD LYS A 44 -11.147 5.183 -18.426 1.00 0.00 C ATOM 637 CE LYS A 44 -9.862 4.385 -18.256 1.00 0.00 C ATOM 638 NZ LYS A 44 -9.489 3.655 -19.499 1.00 0.00 N ATOM 0 H LYS A 44 -15.120 6.513 -17.590 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.515 6.034 -15.339 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.229 6.679 -18.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.111 7.656 -17.217 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.960 5.782 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.297 4.692 -16.681 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.864 4.601 -19.005 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.941 6.091 -18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.052 5.058 -17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.983 3.673 -17.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.609 3.125 -19.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.250 2.994 -19.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.348 4.336 -20.272 1.00 0.00 H new ATOM 652 N LYS A 45 -13.383 9.227 -16.129 1.00 0.00 N ATOM 653 CA LYS A 45 -13.245 10.570 -15.577 1.00 0.00 C ATOM 654 C LYS A 45 -14.282 11.517 -16.174 1.00 0.00 C ATOM 655 O LYS A 45 -14.412 12.661 -15.741 1.00 0.00 O ATOM 656 CB LYS A 45 -11.838 11.109 -15.839 1.00 0.00 C ATOM 657 CG LYS A 45 -11.168 11.683 -14.603 1.00 0.00 C ATOM 658 CD LYS A 45 -9.663 11.472 -14.638 1.00 0.00 C ATOM 659 CE LYS A 45 -9.024 11.806 -13.301 1.00 0.00 C ATOM 660 NZ LYS A 45 -10.027 11.840 -12.200 1.00 0.00 N ATOM 0 H LYS A 45 -13.301 9.179 -17.145 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.412 10.510 -14.501 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.219 10.306 -16.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.891 11.882 -16.606 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.386 12.749 -14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.582 11.212 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.446 10.436 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.225 12.095 -15.418 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.257 11.067 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.525 12.773 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.549 12.055 -11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.736 12.574 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.497 10.915 -12.130 1.00 0.00 H new ATOM 674 N THR A 46 -15.018 11.033 -17.170 1.00 0.00 N ATOM 675 CA THR A 46 -16.042 11.841 -17.824 1.00 0.00 C ATOM 676 C THR A 46 -17.072 12.333 -16.813 1.00 0.00 C ATOM 677 O THR A 46 -17.538 11.572 -15.966 1.00 0.00 O ATOM 678 CB THR A 46 -16.732 11.036 -18.925 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.361 9.670 -18.854 1.00 0.00 O ATOM 680 CG2 THR A 46 -16.405 11.531 -20.318 1.00 0.00 C ATOM 0 H THR A 46 -14.925 10.088 -17.541 1.00 0.00 H new ATOM 0 HA THR A 46 -15.556 12.708 -18.271 1.00 0.00 H new ATOM 0 HB THR A 46 -17.801 11.163 -18.753 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.489 9.545 -19.284 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.926 10.918 -21.054 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.724 12.568 -20.420 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.330 11.464 -20.485 1.00 0.00 H new ATOM 688 N MET A 47 -17.415 13.613 -16.904 1.00 0.00 N ATOM 689 CA MET A 47 -18.382 14.215 -15.996 1.00 0.00 C ATOM 690 C MET A 47 -17.816 14.289 -14.581 1.00 0.00 C ATOM 691 O MET A 47 -18.528 14.615 -13.631 1.00 0.00 O ATOM 692 CB MET A 47 -19.690 13.420 -15.998 1.00 0.00 C ATOM 693 CG MET A 47 -20.877 14.208 -16.534 1.00 0.00 C ATOM 694 SD MET A 47 -22.229 14.323 -15.345 1.00 0.00 S ATOM 695 CE MET A 47 -21.563 15.515 -14.184 1.00 0.00 C ATOM 0 H MET A 47 -17.036 14.255 -17.600 1.00 0.00 H new ATOM 0 HA MET A 47 -18.588 15.228 -16.343 1.00 0.00 H new ATOM 0 HB2 MET A 47 -19.559 12.521 -16.600 1.00 0.00 H new ATOM 0 HB3 MET A 47 -19.909 13.094 -14.981 1.00 0.00 H new ATOM 0 HG2 MET A 47 -20.549 15.212 -16.804 1.00 0.00 H new ATOM 0 HG3 MET A 47 -21.240 13.735 -17.446 1.00 0.00 H new ATOM 0 HE1 MET A 47 -21.447 15.046 -13.207 1.00 0.00 H new ATOM 0 HE2 MET A 47 -20.592 15.863 -14.537 1.00 0.00 H new ATOM 0 HE3 MET A 47 -22.244 16.362 -14.101 1.00 0.00 H new ATOM 705 N LEU A 48 -16.526 13.989 -14.452 1.00 0.00 N ATOM 706 CA LEU A 48 -15.853 14.024 -13.160 1.00 0.00 C ATOM 707 C LEU A 48 -16.690 13.344 -12.081 1.00 0.00 C ATOM 708 O LEU A 48 -17.726 12.744 -12.368 1.00 0.00 O ATOM 709 CB LEU A 48 -15.555 15.470 -12.752 1.00 0.00 C ATOM 710 CG LEU A 48 -16.116 16.543 -13.690 1.00 0.00 C ATOM 711 CD1 LEU A 48 -17.399 17.127 -13.123 1.00 0.00 C ATOM 712 CD2 LEU A 48 -15.085 17.639 -13.921 1.00 0.00 C ATOM 0 H LEU A 48 -15.925 13.718 -15.231 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.915 13.479 -13.260 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.956 15.638 -11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.474 15.597 -12.687 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.345 16.079 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.784 17.888 -13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.139 16.335 -13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.196 17.577 -12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.500 18.393 -14.590 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.826 18.101 -12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.190 17.208 -14.370 1.00 0.00 H new ATOM 724 N VAL A 49 -16.229 13.444 -10.837 1.00 0.00 N ATOM 725 CA VAL A 49 -16.925 12.842 -9.705 1.00 0.00 C ATOM 726 C VAL A 49 -16.818 13.727 -8.467 1.00 0.00 C ATOM 727 O VAL A 49 -15.983 14.630 -8.410 1.00 0.00 O ATOM 728 CB VAL A 49 -16.360 11.447 -9.371 1.00 0.00 C ATOM 729 CG1 VAL A 49 -16.927 10.396 -10.312 1.00 0.00 C ATOM 730 CG2 VAL A 49 -14.840 11.458 -9.430 1.00 0.00 C ATOM 0 H VAL A 49 -15.373 13.939 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.971 12.741 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.662 11.191 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.515 9.420 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -18.012 10.368 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.661 10.646 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.459 10.465 -9.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.517 11.739 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.453 12.178 -8.709 1.00 0.00 H new ATOM 740 N GLN A 50 -17.664 13.463 -7.476 1.00 0.00 N ATOM 741 CA GLN A 50 -17.660 14.236 -6.238 1.00 0.00 C ATOM 742 C GLN A 50 -16.236 14.624 -5.846 1.00 0.00 C ATOM 743 O GLN A 50 -15.272 13.982 -6.260 1.00 0.00 O ATOM 744 CB GLN A 50 -18.309 13.435 -5.107 1.00 0.00 C ATOM 745 CG GLN A 50 -19.545 14.096 -4.517 1.00 0.00 C ATOM 746 CD GLN A 50 -19.206 15.225 -3.562 1.00 0.00 C ATOM 747 OE1 GLN A 50 -18.037 15.539 -3.341 1.00 0.00 O ATOM 748 NE2 GLN A 50 -20.233 15.842 -2.987 1.00 0.00 N ATOM 0 H GLN A 50 -18.361 12.719 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.236 15.146 -6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.580 12.448 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -17.576 13.284 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.166 14.483 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.137 13.347 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.187 15.550 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.067 16.608 -2.334 1.00 0.00 H new ATOM 757 N LYS A 51 -16.115 15.677 -5.043 1.00 0.00 N ATOM 758 CA LYS A 51 -14.811 16.150 -4.593 1.00 0.00 C ATOM 759 C LYS A 51 -14.620 15.885 -3.102 1.00 0.00 C ATOM 760 O LYS A 51 -15.579 15.601 -2.384 1.00 0.00 O ATOM 761 CB LYS A 51 -14.663 17.646 -4.878 1.00 0.00 C ATOM 762 CG LYS A 51 -13.224 18.082 -5.104 1.00 0.00 C ATOM 763 CD LYS A 51 -12.869 19.290 -4.253 1.00 0.00 C ATOM 764 CE LYS A 51 -12.288 20.411 -5.097 1.00 0.00 C ATOM 765 NZ LYS A 51 -11.143 19.943 -5.926 1.00 0.00 N ATOM 0 H LYS A 51 -16.904 16.219 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.045 15.603 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.254 17.900 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.078 18.210 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.551 17.258 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.076 18.321 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.759 19.646 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.150 18.999 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.064 20.817 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.959 21.222 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.478 20.729 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.656 19.165 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.494 19.608 -6.846 1.00 0.00 H new ATOM 779 N ASN A 52 -13.376 15.982 -2.642 1.00 0.00 N ATOM 780 CA ASN A 52 -13.060 15.752 -1.237 1.00 0.00 C ATOM 781 C ASN A 52 -13.409 14.327 -0.822 1.00 0.00 C ATOM 782 O ASN A 52 -14.467 14.081 -0.241 1.00 0.00 O ATOM 783 CB ASN A 52 -13.809 16.752 -0.353 1.00 0.00 C ATOM 784 CG ASN A 52 -13.193 16.874 1.026 1.00 0.00 C ATOM 785 OD1 ASN A 52 -13.296 15.963 1.848 1.00 0.00 O ATOM 786 ND2 ASN A 52 -12.549 18.005 1.287 1.00 0.00 N ATOM 0 H ASN A 52 -12.571 16.218 -3.222 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.987 15.894 -1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.811 17.729 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.849 16.441 -0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.115 18.146 2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.489 18.733 0.575 1.00 0.00 H new ATOM 793 N VAL A 53 -12.511 13.393 -1.120 1.00 0.00 N ATOM 794 CA VAL A 53 -12.716 11.990 -0.778 1.00 0.00 C ATOM 795 C VAL A 53 -14.185 11.595 -0.901 1.00 0.00 C ATOM 796 O VAL A 53 -14.972 12.281 -1.553 1.00 0.00 O ATOM 797 CB VAL A 53 -12.226 11.683 0.650 1.00 0.00 C ATOM 798 CG1 VAL A 53 -10.769 12.082 0.812 1.00 0.00 C ATOM 799 CG2 VAL A 53 -13.096 12.389 1.679 1.00 0.00 C ATOM 0 H VAL A 53 -11.631 13.584 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.131 11.405 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.306 10.609 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.441 11.858 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.158 11.525 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.661 13.150 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.733 12.159 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.052 13.466 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -14.127 12.048 1.579 1.00 0.00 H new ATOM 809 N THR A 54 -14.548 10.479 -0.275 1.00 0.00 N ATOM 810 CA THR A 54 -15.921 9.990 -0.317 1.00 0.00 C ATOM 811 C THR A 54 -16.086 8.748 0.554 1.00 0.00 C ATOM 812 O THR A 54 -15.963 7.623 0.073 1.00 0.00 O ATOM 813 CB THR A 54 -16.324 9.669 -1.757 1.00 0.00 C ATOM 814 OG1 THR A 54 -15.373 10.184 -2.670 1.00 0.00 O ATOM 815 CG2 THR A 54 -17.679 10.226 -2.139 1.00 0.00 C ATOM 0 H THR A 54 -13.910 9.897 0.267 1.00 0.00 H new ATOM 0 HA THR A 54 -16.570 10.774 0.072 1.00 0.00 H new ATOM 0 HB THR A 54 -16.371 8.581 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.504 11.150 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.903 9.962 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.443 9.807 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.669 11.311 -2.036 1.00 0.00 H new ATOM 823 N SER A 55 -16.369 8.960 1.838 1.00 0.00 N ATOM 824 CA SER A 55 -16.553 7.857 2.776 1.00 0.00 C ATOM 825 C SER A 55 -15.622 6.694 2.445 1.00 0.00 C ATOM 826 O SER A 55 -15.904 5.893 1.553 1.00 0.00 O ATOM 827 CB SER A 55 -18.008 7.382 2.757 1.00 0.00 C ATOM 828 OG SER A 55 -18.521 7.255 4.072 1.00 0.00 O ATOM 0 H SER A 55 -16.476 9.886 2.252 1.00 0.00 H new ATOM 0 HA SER A 55 -16.308 8.220 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.617 8.088 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 -18.074 6.423 2.244 1.00 0.00 H new ATOM 0 HG SER A 55 -19.452 6.952 4.032 1.00 0.00 H new ATOM 834 N GLU A 56 -14.511 6.606 3.170 1.00 0.00 N ATOM 835 CA GLU A 56 -13.537 5.543 2.950 1.00 0.00 C ATOM 836 C GLU A 56 -13.402 4.655 4.184 1.00 0.00 C ATOM 837 O GLU A 56 -13.683 5.081 5.303 1.00 0.00 O ATOM 838 CB GLU A 56 -12.176 6.143 2.595 1.00 0.00 C ATOM 839 CG GLU A 56 -11.694 7.185 3.592 1.00 0.00 C ATOM 840 CD GLU A 56 -10.192 7.382 3.553 1.00 0.00 C ATOM 841 OE1 GLU A 56 -9.600 7.215 2.465 1.00 0.00 O ATOM 842 OE2 GLU A 56 -9.606 7.702 4.609 1.00 0.00 O ATOM 0 H GLU A 56 -14.263 7.258 3.914 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.891 4.929 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.439 5.342 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.235 6.598 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.186 8.135 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.991 6.885 4.597 1.00 0.00 H new ATOM 849 N SER A 57 -12.964 3.419 3.968 1.00 0.00 N ATOM 850 CA SER A 57 -12.784 2.469 5.059 1.00 0.00 C ATOM 851 C SER A 57 -11.442 1.753 4.933 1.00 0.00 C ATOM 852 O SER A 57 -10.736 1.557 5.922 1.00 0.00 O ATOM 853 CB SER A 57 -13.925 1.450 5.074 1.00 0.00 C ATOM 854 OG SER A 57 -13.433 0.129 4.944 1.00 0.00 O ATOM 0 H SER A 57 -12.727 3.052 3.046 1.00 0.00 H new ATOM 0 HA SER A 57 -12.795 3.022 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.486 1.542 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.618 1.664 4.261 1.00 0.00 H new ATOM 0 HG SER A 57 -14.183 -0.502 4.958 1.00 0.00 H new ATOM 860 N THR A 58 -11.095 1.371 3.708 1.00 0.00 N ATOM 861 CA THR A 58 -9.834 0.683 3.445 1.00 0.00 C ATOM 862 C THR A 58 -8.761 1.674 3.005 1.00 0.00 C ATOM 863 O THR A 58 -9.064 2.821 2.678 1.00 0.00 O ATOM 864 CB THR A 58 -10.029 -0.386 2.369 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.119 -0.056 1.526 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.286 -1.766 2.932 1.00 0.00 C ATOM 0 H THR A 58 -11.670 1.526 2.880 1.00 0.00 H new ATOM 0 HA THR A 58 -9.507 0.204 4.368 1.00 0.00 H new ATOM 0 HB THR A 58 -9.091 -0.409 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.227 -0.751 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.415 -2.475 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.439 -2.072 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.189 -1.748 3.542 1.00 0.00 H new ATOM 874 N CYS A 59 -7.505 1.230 2.990 1.00 0.00 N ATOM 875 CA CYS A 59 -6.404 2.097 2.578 1.00 0.00 C ATOM 876 C CYS A 59 -5.041 1.488 2.896 1.00 0.00 C ATOM 877 O CYS A 59 -4.587 1.509 4.039 1.00 0.00 O ATOM 878 CB CYS A 59 -6.526 3.464 3.246 1.00 0.00 C ATOM 879 SG CYS A 59 -7.020 3.399 4.999 1.00 0.00 S ATOM 0 H CYS A 59 -7.227 0.285 3.255 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.473 2.210 1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.569 3.980 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.255 4.060 2.697 1.00 0.00 H new ATOM 884 N CYS A 60 -4.387 0.969 1.864 1.00 0.00 N ATOM 885 CA CYS A 60 -3.060 0.369 1.996 1.00 0.00 C ATOM 886 C CYS A 60 -2.000 1.440 1.808 1.00 0.00 C ATOM 887 O CYS A 60 -1.038 1.263 1.063 1.00 0.00 O ATOM 888 CB CYS A 60 -2.872 -0.729 0.945 1.00 0.00 C ATOM 889 SG CYS A 60 -2.964 -2.437 1.583 1.00 0.00 S ATOM 0 H CYS A 60 -4.758 0.951 0.914 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.964 -0.071 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.631 -0.605 0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.903 -0.589 0.465 1.00 0.00 H new ATOM 894 N VAL A 61 -2.183 2.553 2.495 1.00 0.00 N ATOM 895 CA VAL A 61 -1.237 3.652 2.419 1.00 0.00 C ATOM 896 C VAL A 61 -0.008 3.311 3.239 1.00 0.00 C ATOM 897 O VAL A 61 0.257 3.941 4.261 1.00 0.00 O ATOM 898 CB VAL A 61 -1.846 4.967 2.942 1.00 0.00 C ATOM 899 CG1 VAL A 61 -2.988 5.422 2.047 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.319 4.798 4.378 1.00 0.00 C ATOM 0 H VAL A 61 -2.978 2.720 3.112 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.972 3.796 1.372 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.075 5.737 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.405 6.352 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.615 5.584 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.764 4.657 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.747 5.736 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.075 4.014 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.474 4.523 5.009 1.00 0.00 H new ATOM 910 N ALA A 62 0.722 2.287 2.793 1.00 0.00 N ATOM 911 CA ALA A 62 1.913 1.826 3.493 1.00 0.00 C ATOM 912 C ALA A 62 1.860 2.205 4.967 1.00 0.00 C ATOM 913 O ALA A 62 2.022 3.370 5.327 1.00 0.00 O ATOM 914 CB ALA A 62 3.160 2.382 2.843 1.00 0.00 C ATOM 0 H ALA A 62 0.504 1.762 1.946 1.00 0.00 H new ATOM 0 HA ALA A 62 1.946 0.739 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.040 2.027 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.209 2.050 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.132 3.471 2.874 1.00 0.00 H new ATOM 920 N LYS A 63 1.649 1.210 5.814 1.00 0.00 N ATOM 921 CA LYS A 63 1.585 1.436 7.243 1.00 0.00 C ATOM 922 C LYS A 63 2.796 2.210 7.682 1.00 0.00 C ATOM 923 O LYS A 63 2.732 3.073 8.558 1.00 0.00 O ATOM 924 CB LYS A 63 1.534 0.113 7.983 1.00 0.00 C ATOM 925 CG LYS A 63 1.105 0.268 9.421 1.00 0.00 C ATOM 926 CD LYS A 63 1.947 -0.577 10.362 1.00 0.00 C ATOM 927 CE LYS A 63 1.243 -1.874 10.723 1.00 0.00 C ATOM 928 NZ LYS A 63 1.040 -2.012 12.192 1.00 0.00 N ATOM 0 H LYS A 63 1.519 0.238 5.533 1.00 0.00 H new ATOM 0 HA LYS A 63 0.683 2.003 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.844 -0.558 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.518 -0.356 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.180 1.316 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.057 -0.016 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.906 -0.800 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.159 -0.012 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.277 -1.914 10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.829 -2.718 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.557 -2.911 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.962 -2.000 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.459 -1.222 12.538 1.00 0.00 H new ATOM 942 N SER A 64 3.898 1.896 7.039 1.00 0.00 N ATOM 943 CA SER A 64 5.146 2.557 7.316 1.00 0.00 C ATOM 944 C SER A 64 5.922 2.715 6.019 1.00 0.00 C ATOM 945 O SER A 64 5.884 1.833 5.161 1.00 0.00 O ATOM 946 CB SER A 64 5.966 1.773 8.335 1.00 0.00 C ATOM 947 OG SER A 64 5.803 0.376 8.160 1.00 0.00 O ATOM 0 H SER A 64 3.951 1.180 6.315 1.00 0.00 H new ATOM 0 HA SER A 64 4.941 3.539 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.020 2.034 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.662 2.054 9.343 1.00 0.00 H new ATOM 0 HG SER A 64 6.590 0.009 7.705 1.00 0.00 H new ATOM 953 N TYR A 65 6.604 3.836 5.857 1.00 0.00 N ATOM 954 CA TYR A 65 7.350 4.073 4.632 1.00 0.00 C ATOM 955 C TYR A 65 8.775 4.491 4.893 1.00 0.00 C ATOM 956 O TYR A 65 9.135 4.908 5.994 1.00 0.00 O ATOM 957 CB TYR A 65 6.690 5.173 3.812 1.00 0.00 C ATOM 958 CG TYR A 65 6.007 6.229 4.646 1.00 0.00 C ATOM 959 CD1 TYR A 65 4.694 6.071 5.065 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.679 7.389 5.014 1.00 0.00 C ATOM 961 CE1 TYR A 65 4.067 7.038 5.827 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.061 8.360 5.776 1.00 0.00 C ATOM 963 CZ TYR A 65 4.755 8.180 6.180 1.00 0.00 C ATOM 964 OH TYR A 65 4.134 9.143 6.941 1.00 0.00 O ATOM 0 H TYR A 65 6.657 4.586 6.546 1.00 0.00 H new ATOM 0 HA TYR A 65 7.352 3.126 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.445 5.650 3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.958 4.723 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.153 5.177 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.702 7.533 4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.044 6.900 6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.597 9.255 6.054 1.00 0.00 H new ATOM 0 HH TYR A 65 4.756 9.883 7.103 1.00 0.00 H new ATOM 974 N ASN A 66 9.563 4.433 3.835 1.00 0.00 N ATOM 975 CA ASN A 66 10.948 4.869 3.897 1.00 0.00 C ATOM 976 C ASN A 66 11.214 5.728 2.688 1.00 0.00 C ATOM 977 O ASN A 66 12.332 5.839 2.186 1.00 0.00 O ATOM 978 CB ASN A 66 11.909 3.694 3.966 1.00 0.00 C ATOM 979 CG ASN A 66 12.742 3.701 5.232 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.382 3.078 6.230 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.863 4.410 5.196 1.00 0.00 N ATOM 0 H ASN A 66 9.268 4.088 2.921 1.00 0.00 H new ATOM 0 HA ASN A 66 11.112 5.443 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.345 2.763 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.570 3.718 3.100 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.465 4.454 6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.122 4.911 4.346 1.00 0.00 H new ATOM 988 N ARG A 67 10.125 6.322 2.255 1.00 0.00 N ATOM 989 CA ARG A 67 10.080 7.212 1.107 1.00 0.00 C ATOM 990 C ARG A 67 11.467 7.511 0.562 1.00 0.00 C ATOM 991 O ARG A 67 12.338 8.026 1.265 1.00 0.00 O ATOM 992 CB ARG A 67 9.366 8.497 1.505 1.00 0.00 C ATOM 993 CG ARG A 67 9.622 8.872 2.946 1.00 0.00 C ATOM 994 CD ARG A 67 8.695 9.985 3.414 1.00 0.00 C ATOM 995 NE ARG A 67 9.403 11.247 3.626 1.00 0.00 N ATOM 996 CZ ARG A 67 10.056 11.544 4.744 1.00 0.00 C ATOM 997 NH1 ARG A 67 10.138 10.654 5.723 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.637 12.729 4.882 1.00 0.00 N ATOM 0 H ARG A 67 9.217 6.198 2.702 1.00 0.00 H new ATOM 0 HA ARG A 67 9.531 6.717 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.695 9.309 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.294 8.378 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.486 7.995 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.658 9.190 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.907 10.133 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.209 9.684 4.342 1.00 0.00 H new ATOM 0 HE ARG A 67 9.395 11.937 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.699 9.739 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.640 10.884 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.583 13.414 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.138 12.954 5.742 1.00 0.00 H new ATOM 1012 N VAL A 68 11.645 7.184 -0.705 1.00 0.00 N ATOM 1013 CA VAL A 68 12.905 7.406 -1.400 1.00 0.00 C ATOM 1014 C VAL A 68 12.657 8.137 -2.706 1.00 0.00 C ATOM 1015 O VAL A 68 13.205 7.777 -3.749 1.00 0.00 O ATOM 1016 CB VAL A 68 13.633 6.079 -1.704 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.664 5.171 -0.481 1.00 0.00 C ATOM 1018 CG2 VAL A 68 12.979 5.366 -2.880 1.00 0.00 C ATOM 0 H VAL A 68 10.922 6.757 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 68 13.535 8.006 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 68 14.663 6.318 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.183 4.245 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.187 5.674 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.644 4.943 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.506 4.433 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.938 5.150 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 68 13.024 6.004 -3.763 1.00 0.00 H new ATOM 1028 N THR A 69 11.810 9.151 -2.636 1.00 0.00 N ATOM 1029 CA THR A 69 11.445 9.939 -3.806 1.00 0.00 C ATOM 1030 C THR A 69 12.441 9.757 -4.938 1.00 0.00 C ATOM 1031 O THR A 69 13.618 10.092 -4.806 1.00 0.00 O ATOM 1032 CB THR A 69 11.336 11.420 -3.474 1.00 0.00 C ATOM 1033 OG1 THR A 69 10.242 11.665 -2.606 1.00 0.00 O ATOM 1034 CG2 THR A 69 11.148 12.262 -4.715 1.00 0.00 C ATOM 0 H THR A 69 11.357 9.451 -1.773 1.00 0.00 H new ATOM 0 HA THR A 69 10.470 9.574 -4.128 1.00 0.00 H new ATOM 0 HB THR A 69 12.272 11.696 -2.989 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.369 12.526 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.075 13.313 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.999 12.123 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.234 11.958 -5.226 1.00 0.00 H new ATOM 1042 N VAL A 70 11.956 9.233 -6.051 1.00 0.00 N ATOM 1043 CA VAL A 70 12.799 9.013 -7.218 1.00 0.00 C ATOM 1044 C VAL A 70 12.439 9.941 -8.353 1.00 0.00 C ATOM 1045 O VAL A 70 11.765 10.956 -8.172 1.00 0.00 O ATOM 1046 CB VAL A 70 12.702 7.578 -7.754 1.00 0.00 C ATOM 1047 CG1 VAL A 70 14.088 6.965 -7.892 1.00 0.00 C ATOM 1048 CG2 VAL A 70 11.811 6.720 -6.867 1.00 0.00 C ATOM 0 H VAL A 70 10.983 8.951 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 70 13.814 9.208 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 70 12.245 7.615 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.000 5.948 -8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.682 7.561 -8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.576 6.946 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.761 5.709 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.224 6.688 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.809 7.148 -6.835 1.00 0.00 H new ATOM 1058 N MET A 71 12.913 9.574 -9.528 1.00 0.00 N ATOM 1059 CA MET A 71 12.677 10.347 -10.730 1.00 0.00 C ATOM 1060 C MET A 71 11.306 11.007 -10.709 1.00 0.00 C ATOM 1061 O MET A 71 10.345 10.453 -10.176 1.00 0.00 O ATOM 1062 CB MET A 71 12.816 9.469 -11.970 1.00 0.00 C ATOM 1063 CG MET A 71 11.996 8.193 -11.906 1.00 0.00 C ATOM 1064 SD MET A 71 12.264 7.124 -13.331 1.00 0.00 S ATOM 1065 CE MET A 71 12.880 8.305 -14.528 1.00 0.00 C ATOM 0 H MET A 71 13.471 8.733 -9.675 1.00 0.00 H new ATOM 0 HA MET A 71 13.431 11.134 -10.766 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.513 10.042 -12.846 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.866 9.210 -12.106 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.248 7.649 -10.996 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.938 8.448 -11.842 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.975 7.822 -15.500 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.185 9.141 -14.605 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.855 8.672 -14.208 1.00 0.00 H new ATOM 1075 N GLY A 72 11.227 12.201 -11.288 1.00 0.00 N ATOM 1076 CA GLY A 72 9.973 12.926 -11.318 1.00 0.00 C ATOM 1077 C GLY A 72 9.384 13.095 -9.936 1.00 0.00 C ATOM 1078 O GLY A 72 8.235 13.512 -9.786 1.00 0.00 O ATOM 0 H GLY A 72 12.009 12.678 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.132 13.906 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.263 12.396 -11.953 1.00 0.00 H new ATOM 1082 N GLY A 73 10.177 12.768 -8.920 1.00 0.00 N ATOM 1083 CA GLY A 73 9.716 12.887 -7.552 1.00 0.00 C ATOM 1084 C GLY A 73 8.858 11.711 -7.133 1.00 0.00 C ATOM 1085 O GLY A 73 7.918 11.867 -6.352 1.00 0.00 O ATOM 0 H GLY A 73 11.131 12.423 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.576 12.963 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.145 13.809 -7.442 1.00 0.00 H new ATOM 1089 N PHE A 74 9.176 10.529 -7.657 1.00 0.00 N ATOM 1090 CA PHE A 74 8.422 9.326 -7.331 1.00 0.00 C ATOM 1091 C PHE A 74 8.580 8.965 -5.865 1.00 0.00 C ATOM 1092 O PHE A 74 9.650 8.547 -5.428 1.00 0.00 O ATOM 1093 CB PHE A 74 8.873 8.149 -8.192 1.00 0.00 C ATOM 1094 CG PHE A 74 8.385 8.204 -9.611 1.00 0.00 C ATOM 1095 CD1 PHE A 74 7.148 8.747 -9.915 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.167 7.708 -10.641 1.00 0.00 C ATOM 1097 CE1 PHE A 74 6.700 8.795 -11.223 1.00 0.00 C ATOM 1098 CE2 PHE A 74 8.725 7.753 -11.949 1.00 0.00 C ATOM 1099 CZ PHE A 74 7.490 8.297 -12.240 1.00 0.00 C ATOM 0 H PHE A 74 9.948 10.381 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 74 7.372 9.536 -7.535 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.962 8.112 -8.195 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.524 7.223 -7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.526 9.137 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.134 7.281 -10.419 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.734 9.221 -11.448 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.345 7.363 -12.743 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.142 8.333 -13.262 1.00 0.00 H new ATOM 1109 N LYS A 75 7.504 9.126 -5.111 1.00 0.00 N ATOM 1110 CA LYS A 75 7.515 8.822 -3.688 1.00 0.00 C ATOM 1111 C LYS A 75 7.026 7.403 -3.415 1.00 0.00 C ATOM 1112 O LYS A 75 5.823 7.149 -3.357 1.00 0.00 O ATOM 1113 CB LYS A 75 6.652 9.829 -2.927 1.00 0.00 C ATOM 1114 CG LYS A 75 7.065 11.274 -3.154 1.00 0.00 C ATOM 1115 CD LYS A 75 7.739 11.863 -1.924 1.00 0.00 C ATOM 1116 CE LYS A 75 6.736 12.126 -0.813 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.375 12.755 0.376 1.00 0.00 N ATOM 0 H LYS A 75 6.609 9.467 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 75 8.545 8.894 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.612 9.705 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.704 9.608 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.745 11.330 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.187 11.868 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.509 11.179 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.239 12.794 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.944 12.776 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.266 11.187 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.657 12.918 1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.114 12.124 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.801 13.663 0.101 1.00 0.00 H new ATOM 1131 N VAL A 76 7.974 6.487 -3.232 1.00 0.00 N ATOM 1132 CA VAL A 76 7.654 5.092 -2.944 1.00 0.00 C ATOM 1133 C VAL A 76 7.490 4.896 -1.477 1.00 0.00 C ATOM 1134 O VAL A 76 7.451 3.765 -0.989 1.00 0.00 O ATOM 1135 CB VAL A 76 8.783 4.148 -3.400 1.00 0.00 C ATOM 1136 CG1 VAL A 76 8.955 4.222 -4.907 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.061 4.573 -2.693 1.00 0.00 C ATOM 0 H VAL A 76 8.973 6.687 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 76 6.734 4.861 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 76 8.541 3.116 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.756 3.550 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.026 3.927 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.207 5.243 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.879 3.921 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.299 5.603 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.921 4.501 -1.614 1.00 0.00 H new ATOM 1147 N GLU A 77 7.434 6.002 -0.777 1.00 0.00 N ATOM 1148 CA GLU A 77 7.332 5.957 0.671 1.00 0.00 C ATOM 1149 C GLU A 77 7.983 4.657 1.088 1.00 0.00 C ATOM 1150 O GLU A 77 7.456 3.902 1.900 1.00 0.00 O ATOM 1151 CB GLU A 77 5.865 6.007 1.102 1.00 0.00 C ATOM 1152 CG GLU A 77 5.550 7.137 2.064 1.00 0.00 C ATOM 1153 CD GLU A 77 5.121 8.405 1.353 1.00 0.00 C ATOM 1154 OE1 GLU A 77 4.183 8.335 0.531 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.722 9.467 1.616 1.00 0.00 O ATOM 0 H GLU A 77 7.457 6.940 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 77 7.823 6.809 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.239 6.111 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.601 5.059 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.759 6.821 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.429 7.346 2.673 1.00 0.00 H new ATOM 1162 N ASN A 78 9.107 4.386 0.414 1.00 0.00 N ATOM 1163 CA ASN A 78 9.837 3.143 0.561 1.00 0.00 C ATOM 1164 C ASN A 78 9.127 2.289 1.571 1.00 0.00 C ATOM 1165 O ASN A 78 9.608 2.032 2.676 1.00 0.00 O ATOM 1166 CB ASN A 78 11.297 3.324 0.918 1.00 0.00 C ATOM 1167 CG ASN A 78 12.008 2.015 0.689 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.967 1.464 -0.411 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.657 1.510 1.713 1.00 0.00 N ATOM 0 H ASN A 78 9.530 5.034 -0.251 1.00 0.00 H new ATOM 0 HA ASN A 78 9.852 2.651 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.742 4.109 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.398 3.633 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.663 2.003 2.606 1.00 0.00 H new ATOM 1174 N HIS A 79 7.934 1.919 1.173 1.00 0.00 N ATOM 1175 CA HIS A 79 7.035 1.159 1.996 1.00 0.00 C ATOM 1176 C HIS A 79 7.720 0.126 2.847 1.00 0.00 C ATOM 1177 O HIS A 79 8.404 -0.775 2.375 1.00 0.00 O ATOM 1178 CB HIS A 79 5.940 0.542 1.145 1.00 0.00 C ATOM 1179 CG HIS A 79 5.119 1.606 0.516 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.011 1.394 -0.258 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.296 2.937 0.571 1.00 0.00 C ATOM 1182 CE1 HIS A 79 3.555 2.588 -0.655 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.302 3.565 -0.174 1.00 0.00 N ATOM 0 H HIS A 79 7.558 2.143 0.252 1.00 0.00 H new ATOM 0 HA HIS A 79 6.588 1.860 2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.381 -0.090 0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.309 -0.099 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.086 3.440 1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.690 2.733 -1.285 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.177 4.567 -0.318 1.00 0.00 H new ATOM 1191 N THR A 80 7.500 0.275 4.124 1.00 0.00 N ATOM 1192 CA THR A 80 8.051 -0.637 5.101 1.00 0.00 C ATOM 1193 C THR A 80 6.933 -1.508 5.679 1.00 0.00 C ATOM 1194 O THR A 80 7.189 -2.476 6.393 1.00 0.00 O ATOM 1195 CB THR A 80 8.785 0.144 6.185 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.887 0.600 7.177 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.520 1.348 5.627 1.00 0.00 C ATOM 0 H THR A 80 6.937 1.027 4.521 1.00 0.00 H new ATOM 0 HA THR A 80 8.776 -1.298 4.626 1.00 0.00 H new ATOM 0 HB THR A 80 9.509 -0.547 6.617 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.299 0.503 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.027 1.872 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.254 1.018 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.807 2.021 5.150 1.00 0.00 H new ATOM 1205 N ALA A 81 5.684 -1.159 5.339 1.00 0.00 N ATOM 1206 CA ALA A 81 4.518 -1.901 5.791 1.00 0.00 C ATOM 1207 C ALA A 81 3.261 -1.350 5.119 1.00 0.00 C ATOM 1208 O ALA A 81 3.106 -0.138 5.002 1.00 0.00 O ATOM 1209 CB ALA A 81 4.398 -1.821 7.303 1.00 0.00 C ATOM 0 H ALA A 81 5.464 -0.358 4.747 1.00 0.00 H new ATOM 0 HA ALA A 81 4.631 -2.949 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.521 -2.381 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.291 -2.246 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.296 -0.779 7.605 1.00 0.00 H new ATOM 1215 N CYS A 82 2.367 -2.233 4.674 1.00 0.00 N ATOM 1216 CA CYS A 82 1.132 -1.794 4.020 1.00 0.00 C ATOM 1217 C CYS A 82 -0.086 -2.432 4.664 1.00 0.00 C ATOM 1218 O CYS A 82 -0.123 -3.645 4.875 1.00 0.00 O ATOM 1219 CB CYS A 82 1.127 -2.136 2.540 1.00 0.00 C ATOM 1220 SG CYS A 82 0.166 -0.960 1.538 1.00 0.00 S ATOM 0 H CYS A 82 2.471 -3.245 4.752 1.00 0.00 H new ATOM 0 HA CYS A 82 1.089 -0.711 4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.154 -2.160 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.718 -3.137 2.406 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.078 -1.614 4.978 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.295 -2.113 5.604 1.00 0.00 C ATOM 1227 C HIS A 83 -3.529 -1.381 5.095 1.00 0.00 C ATOM 1228 O HIS A 83 -3.674 -0.176 5.296 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.203 -1.998 7.124 1.00 0.00 C ATOM 1230 CG HIS A 83 -0.941 -2.581 7.651 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -0.879 -3.433 8.733 1.00 0.00 N ATOM 1232 CD2 HIS A 83 0.319 -2.444 7.206 1.00 0.00 C ATOM 1233 CE1 HIS A 83 0.377 -3.794 8.927 1.00 0.00 C ATOM 1234 NE2 HIS A 83 1.127 -3.207 8.010 1.00 0.00 N ATOM 0 H HIS A 83 -1.067 -0.608 4.812 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.395 -3.164 5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.266 -0.949 7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.054 -2.505 7.578 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.675 -3.736 9.294 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.638 -1.842 6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.731 -4.456 9.703 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.421 -2.119 4.444 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.646 -1.536 3.916 1.00 0.00 C ATOM 1245 C CYS A 84 -6.774 -1.648 4.937 1.00 0.00 C ATOM 1246 O CYS A 84 -7.166 -2.749 5.322 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.048 -2.221 2.607 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.205 -1.081 1.191 1.00 0.00 S ATOM 0 H CYS A 84 -4.318 -3.119 4.270 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.462 -0.481 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.308 -2.984 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.998 -2.734 2.754 1.00 0.00 H new ATOM 1253 N SER A 85 -7.283 -0.498 5.379 1.00 0.00 N ATOM 1254 CA SER A 85 -8.361 -0.453 6.366 1.00 0.00 C ATOM 1255 C SER A 85 -7.800 -0.215 7.763 1.00 0.00 C ATOM 1256 O SER A 85 -8.060 -0.982 8.689 1.00 0.00 O ATOM 1257 CB SER A 85 -9.172 -1.751 6.344 1.00 0.00 C ATOM 1258 OG SER A 85 -10.422 -1.584 6.990 1.00 0.00 O ATOM 0 H SER A 85 -6.964 0.419 5.067 1.00 0.00 H new ATOM 0 HA SER A 85 -9.020 0.375 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.332 -2.066 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.608 -2.544 6.836 1.00 0.00 H new ATOM 0 HG SER A 85 -10.276 -1.291 7.914 1.00 0.00 H new ATOM 1264 N THR A 86 -7.028 0.857 7.903 1.00 0.00 N ATOM 1265 CA THR A 86 -6.420 1.208 9.180 1.00 0.00 C ATOM 1266 C THR A 86 -6.089 2.697 9.219 1.00 0.00 C ATOM 1267 O THR A 86 -5.079 3.106 9.791 1.00 0.00 O ATOM 1268 CB THR A 86 -5.153 0.378 9.411 1.00 0.00 C ATOM 1269 OG1 THR A 86 -3.993 1.176 9.262 1.00 0.00 O ATOM 1270 CG2 THR A 86 -5.023 -0.799 8.466 1.00 0.00 C ATOM 0 H THR A 86 -6.808 1.501 7.143 1.00 0.00 H new ATOM 0 HA THR A 86 -7.132 0.988 9.975 1.00 0.00 H new ATOM 0 HB THR A 86 -5.243 -0.002 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.025 1.921 9.898 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.104 -1.342 8.686 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.877 -1.464 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.994 -0.439 7.438 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.947 3.503 8.601 1.00 0.00 N ATOM 1279 CA CYS A 87 -6.744 4.947 8.557 1.00 0.00 C ATOM 1280 C CYS A 87 -7.528 5.650 9.661 1.00 0.00 C ATOM 1281 O CYS A 87 -8.047 5.007 10.574 1.00 0.00 O ATOM 1282 CB CYS A 87 -7.155 5.498 7.190 1.00 0.00 C ATOM 1283 SG CYS A 87 -6.061 4.986 5.826 1.00 0.00 S ATOM 0 H CYS A 87 -7.789 3.181 8.124 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.684 5.141 8.718 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.171 5.172 6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.173 6.587 7.239 1.00 0.00 H new ATOM 1288 N TYR A 88 -7.602 6.976 9.575 1.00 0.00 N ATOM 1289 CA TYR A 88 -8.314 7.772 10.568 1.00 0.00 C ATOM 1290 C TYR A 88 -9.774 7.981 10.170 1.00 0.00 C ATOM 1291 O TYR A 88 -10.356 7.169 9.451 1.00 0.00 O ATOM 1292 CB TYR A 88 -7.627 9.127 10.748 1.00 0.00 C ATOM 1293 CG TYR A 88 -7.623 9.621 12.176 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -7.045 8.870 13.191 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -8.195 10.842 12.508 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -7.041 9.321 14.498 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -8.194 11.301 13.811 1.00 0.00 C ATOM 1298 CZ TYR A 88 -7.616 10.538 14.802 1.00 0.00 C ATOM 1299 OH TYR A 88 -7.614 10.990 16.102 1.00 0.00 O ATOM 0 H TYR A 88 -7.176 7.522 8.826 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.293 7.226 11.511 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.598 9.052 10.396 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.127 9.864 10.119 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.591 7.919 12.956 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.649 11.443 11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.590 8.724 15.277 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.644 12.253 14.052 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.057 11.863 16.145 1.00 0.00 H new ATOM 1309 N TYR A 89 -10.358 9.079 10.647 1.00 0.00 N ATOM 1310 CA TYR A 89 -11.750 9.405 10.347 1.00 0.00 C ATOM 1311 C TYR A 89 -12.702 8.403 10.989 1.00 0.00 C ATOM 1312 O TYR A 89 -12.513 7.191 10.879 1.00 0.00 O ATOM 1313 CB TYR A 89 -11.977 9.439 8.835 1.00 0.00 C ATOM 1314 CG TYR A 89 -13.433 9.588 8.450 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -14.057 10.828 8.484 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -14.182 8.487 8.055 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -15.387 10.967 8.136 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -15.512 8.617 7.705 1.00 0.00 C ATOM 1319 CZ TYR A 89 -16.110 9.859 7.748 1.00 0.00 C ATOM 1320 OH TYR A 89 -17.434 9.994 7.401 1.00 0.00 O ATOM 0 H TYR A 89 -9.887 9.759 11.244 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.957 10.391 10.763 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -11.409 10.266 8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.584 8.522 8.395 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -13.494 11.698 8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -13.717 7.513 8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -15.858 11.938 8.168 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.080 7.751 7.399 1.00 0.00 H new ATOM 0 HH TYR A 89 -17.798 9.119 7.151 1.00 0.00 H new ATOM 1330 N HIS A 90 -13.730 8.918 11.653 1.00 0.00 N ATOM 1331 CA HIS A 90 -14.721 8.072 12.309 1.00 0.00 C ATOM 1332 C HIS A 90 -14.260 7.671 13.707 1.00 0.00 C ATOM 1333 O HIS A 90 -13.251 6.984 13.867 1.00 0.00 O ATOM 1334 CB HIS A 90 -14.987 6.822 11.470 1.00 0.00 C ATOM 1335 CG HIS A 90 -16.443 6.504 11.319 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -17.385 7.446 10.963 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -17.117 5.339 11.474 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -18.575 6.875 10.907 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -18.439 5.598 11.211 1.00 0.00 N ATOM 0 H HIS A 90 -13.900 9.919 11.752 1.00 0.00 H new ATOM 0 HA HIS A 90 -15.644 8.644 12.403 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.548 6.957 10.481 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -14.483 5.972 11.929 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.693 4.385 11.752 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.502 7.369 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.195 4.914 11.245 1.00 0.00 H new ATOM 1348 N LYS A 91 -15.009 8.102 14.718 1.00 0.00 N ATOM 1349 CA LYS A 91 -14.678 7.785 16.102 1.00 0.00 C ATOM 1350 C LYS A 91 -15.772 8.266 17.051 1.00 0.00 C ATOM 1351 O LYS A 91 -16.341 9.341 16.864 1.00 0.00 O ATOM 1352 CB LYS A 91 -13.340 8.420 16.486 1.00 0.00 C ATOM 1353 CG LYS A 91 -12.558 7.617 17.512 1.00 0.00 C ATOM 1354 CD LYS A 91 -13.020 7.919 18.928 1.00 0.00 C ATOM 1355 CE LYS A 91 -12.004 8.762 19.682 1.00 0.00 C ATOM 1356 NZ LYS A 91 -10.604 8.375 19.356 1.00 0.00 N ATOM 0 H LYS A 91 -15.848 8.671 14.604 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.599 6.701 16.189 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.732 8.537 15.589 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -13.522 9.420 16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.676 6.553 17.309 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.496 7.843 17.419 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.975 8.443 18.895 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.187 6.984 19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.155 9.814 19.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.169 8.655 20.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.982 8.621 20.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.558 7.350 19.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.293 8.883 18.504 1.00 0.00 H new ATOM 1370 N SER A 92 -16.059 7.460 18.069 1.00 0.00 N ATOM 1371 CA SER A 92 -17.083 7.797 19.052 1.00 0.00 C ATOM 1372 C SER A 92 -18.214 8.596 18.411 1.00 0.00 C ATOM 1373 O SER A 92 -19.206 7.973 17.979 1.00 0.00 O ATOM 1374 CB SER A 92 -16.472 8.592 20.208 1.00 0.00 C ATOM 1375 OG SER A 92 -15.333 7.934 20.735 1.00 0.00 O ATOM 1376 OXT SER A 92 -18.099 9.839 18.350 1.00 0.00 O ATOM 0 H SER A 92 -15.595 6.567 18.235 1.00 0.00 H new ATOM 0 HA SER A 92 -17.496 6.866 19.440 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.193 9.587 19.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.215 8.725 20.994 1.00 0.00 H new ATOM 0 HG SER A 92 -14.961 8.463 21.471 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.231 0.195 1.607 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.741 0.269 1.775 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.339 -1.127 1.730 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.650 -2.028 2.737 1.00 0.00 C HETATM 1387 C5 NAG A 178 13.139 -1.987 2.551 1.00 0.00 C HETATM 1388 C6 NAG A 178 12.399 -2.767 3.620 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.994 2.175 1.010 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.563 2.978 -0.147 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.311 1.073 0.714 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.723 -1.054 2.037 1.00 0.00 O HETATM 1393 O4 NAG A 178 15.105 -3.378 2.553 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.650 -0.643 2.612 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.779 -2.347 4.922 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.175 2.555 2.167 1.00 0.00 O HETATM 0 HO6 NAG A 178 12.285 -2.866 5.590 1.00 0.00 H new HETATM 0 HO3 NAG A 178 17.112 -1.953 2.011 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.189 0.794 -0.260 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.253 2.356 -0.717 1.00 0.00 H new HETATM 0 H82 NAG A 178 15.751 3.308 -0.795 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.094 3.848 0.240 1.00 0.00 H new HETATM 0 H62 NAG A 178 11.325 -2.634 3.492 1.00 0.00 H new HETATM 0 H61 NAG A 178 12.605 -3.831 3.504 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.956 -2.434 1.574 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.893 -1.678 3.740 1.00 0.00 H new HETATM 0 H3 NAG A 178 15.199 -1.540 0.731 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.968 0.724 2.739 1.00 0.00 H new HETATM 1410 C1 NAG A 179 15.225 -4.137 3.702 1.00 0.00 C HETATM 1411 C2 NAG A 179 15.497 -5.575 3.319 1.00 0.00 C HETATM 1412 C3 NAG A 179 15.806 -6.412 4.546 1.00 0.00 C HETATM 1413 C4 NAG A 179 16.902 -5.767 5.364 1.00 0.00 C HETATM 1414 C5 NAG A 179 16.556 -4.323 5.688 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.686 -3.605 6.397 1.00 0.00 C HETATM 1416 C7 NAG A 179 13.164 -6.121 3.338 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.883 -6.139 2.521 1.00 0.00 C HETATM 1418 N2 NAG A 179 14.315 -6.090 2.668 1.00 0.00 N HETATM 1419 O3 NAG A 179 16.230 -7.703 4.137 1.00 0.00 O HETATM 1420 O4 NAG A 179 17.052 -6.491 6.594 1.00 0.00 O HETATM 1421 O5 NAG A 179 16.285 -3.575 4.488 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.362 -2.242 6.630 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.103 -6.134 4.567 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.745 -1.929 5.936 1.00 0.00 H new HETATM 0 HO3 NAG A 179 16.432 -8.246 4.927 1.00 0.00 H new HETATM 0 HN2 NAG A 179 14.361 -6.426 1.706 1.00 0.00 H new HETATM 0 H83 NAG A 179 11.834 -5.243 1.902 1.00 0.00 H new HETATM 0 H82 NAG A 179 11.871 -7.023 1.883 1.00 0.00 H new HETATM 0 H81 NAG A 179 11.024 -6.164 3.192 1.00 0.00 H new HETATM 0 H62 NAG A 179 17.896 -4.099 7.346 1.00 0.00 H new HETATM 0 H61 NAG A 179 18.594 -3.668 5.797 1.00 0.00 H new HETATM 0 H5 NAG A 179 15.679 -4.371 6.334 1.00 0.00 H new HETATM 0 H4 NAG A 179 17.826 -5.788 4.787 1.00 0.00 H new HETATM 0 H3 NAG A 179 14.906 -6.487 5.156 1.00 0.00 H new HETATM 0 H2 NAG A 179 16.360 -5.621 2.655 1.00 0.00 H new HETATM 1437 C1 BMA A 180 18.338 -6.596 7.086 1.00 0.00 C HETATM 1438 C2 BMA A 180 18.279 -7.111 8.516 1.00 0.00 C HETATM 1439 C3 BMA A 180 19.678 -7.370 9.044 1.00 0.00 C HETATM 1440 C4 BMA A 180 20.447 -8.264 8.087 1.00 0.00 C HETATM 1441 C5 BMA A 180 20.424 -7.683 6.680 1.00 0.00 C HETATM 1442 C6 BMA A 180 21.092 -8.594 5.668 1.00 0.00 C HETATM 1443 O2 BMA A 180 17.537 -8.320 8.546 1.00 0.00 O HETATM 1444 O3 BMA A 180 19.594 -8.018 10.327 1.00 0.00 O HETATM 1445 O4 BMA A 180 21.793 -8.368 8.527 1.00 0.00 O HETATM 1446 O5 BMA A 180 19.071 -7.483 6.231 1.00 0.00 O HETATM 1447 O6 BMA A 180 20.159 -9.593 5.212 1.00 0.00 O HETATM 0 HO4 BMA A 180 22.156 -9.240 8.265 1.00 0.00 H new HETATM 0 HO2 BMA A 180 17.853 -8.880 9.286 1.00 0.00 H new HETATM 0 H62 BMA A 180 21.453 -8.009 4.822 1.00 0.00 H new HETATM 0 H61 BMA A 180 21.961 -9.075 6.117 1.00 0.00 H new HETATM 0 H5 BMA A 180 20.966 -6.739 6.742 1.00 0.00 H new HETATM 0 H4 BMA A 180 19.979 -9.248 8.070 1.00 0.00 H new HETATM 0 H3 BMA A 180 20.198 -6.417 9.139 1.00 0.00 H new HETATM 0 H2 BMA A 180 17.798 -6.360 9.143 1.00 0.00 H new HETATM 1457 C1 MAN A 181 19.457 -7.154 11.414 1.00 0.00 C HETATM 1458 C2 MAN A 181 20.485 -7.535 12.472 1.00 0.00 C HETATM 1459 C3 MAN A 181 20.145 -8.881 13.098 1.00 0.00 C HETATM 1460 C4 MAN A 181 18.711 -8.885 13.601 1.00 0.00 C HETATM 1461 C5 MAN A 181 17.757 -8.469 12.490 1.00 0.00 C HETATM 1462 C6 MAN A 181 16.328 -8.329 12.977 1.00 0.00 C HETATM 1463 O2 MAN A 181 20.488 -6.531 13.503 1.00 0.00 O HETATM 1464 O3 MAN A 181 21.022 -9.123 14.189 1.00 0.00 O HETATM 1465 O4 MAN A 181 18.376 -10.192 14.043 1.00 0.00 O HETATM 1466 O5 MAN A 181 18.134 -7.193 11.941 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.455 -7.962 11.917 1.00 0.00 O HETATM 0 HO6 MAN A 181 15.903 -7.314 11.334 1.00 0.00 H new HETATM 0 HO4 MAN A 181 17.606 -10.146 14.647 1.00 0.00 H new HETATM 0 HO3 MAN A 181 21.265 -8.271 14.609 1.00 0.00 H new HETATM 0 H62 MAN A 181 15.997 -9.271 13.414 1.00 0.00 H new HETATM 0 H61 MAN A 181 16.282 -7.578 13.765 1.00 0.00 H new HETATM 0 H5 MAN A 181 17.817 -9.258 11.741 1.00 0.00 H new HETATM 0 H4 MAN A 181 18.622 -8.177 14.425 1.00 0.00 H new HETATM 0 H3 MAN A 181 20.258 -9.660 12.344 1.00 0.00 H new HETATM 0 H2 MAN A 181 21.464 -7.605 11.999 1.00 0.00 H new HETATM 1478 C1 MAN A 182 20.258 -10.782 5.942 1.00 0.00 C HETATM 1479 C2 MAN A 182 21.618 -11.409 5.688 1.00 0.00 C HETATM 1480 C3 MAN A 182 21.733 -11.917 4.257 1.00 0.00 C HETATM 1481 C4 MAN A 182 20.563 -12.821 3.920 1.00 0.00 C HETATM 1482 C5 MAN A 182 19.247 -12.119 4.220 1.00 0.00 C HETATM 1483 C6 MAN A 182 18.051 -13.025 4.012 1.00 0.00 C HETATM 1484 O2 MAN A 182 21.768 -12.513 6.584 1.00 0.00 O HETATM 1485 O3 MAN A 182 22.942 -12.652 4.121 1.00 0.00 O HETATM 1486 O4 MAN A 182 20.613 -13.154 2.541 1.00 0.00 O HETATM 1487 O5 MAN A 182 19.207 -11.679 5.591 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.107 -14.155 4.871 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.627 -13.932 5.671 1.00 0.00 H new HETATM 0 HO4 MAN A 182 20.082 -13.962 2.380 1.00 0.00 H new HETATM 0 HO3 MAN A 182 23.421 -12.655 4.976 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.133 -12.468 4.199 1.00 0.00 H new HETATM 0 H61 MAN A 182 18.018 -13.355 2.974 1.00 0.00 H new HETATM 0 H5 MAN A 182 19.194 -11.277 3.530 1.00 0.00 H new HETATM 0 H4 MAN A 182 20.627 -13.725 4.526 1.00 0.00 H new HETATM 0 H3 MAN A 182 21.729 -11.065 3.577 1.00 0.00 H new HETATM 0 H2 MAN A 182 22.392 -10.658 5.846 1.00 0.00 H new HETATM 1499 C1 NAG A 183 22.655 -12.336 7.626 1.00 0.00 C HETATM 1500 C2 NAG A 183 22.663 -13.612 8.478 1.00 0.00 C HETATM 1501 C3 NAG A 183 23.759 -13.548 9.526 1.00 0.00 C HETATM 1502 C4 NAG A 183 25.089 -13.247 8.870 1.00 0.00 C HETATM 1503 C5 NAG A 183 24.984 -11.980 8.041 1.00 0.00 C HETATM 1504 C6 NAG A 183 26.262 -11.667 7.290 1.00 0.00 C HETATM 1505 C7 NAG A 183 20.540 -14.706 8.776 1.00 0.00 C HETATM 1506 C8 NAG A 183 19.107 -14.611 9.278 1.00 0.00 C HETATM 1507 N2 NAG A 183 21.378 -13.741 9.138 1.00 0.00 N HETATM 1508 O3 NAG A 183 23.838 -14.795 10.199 1.00 0.00 O HETATM 1509 O4 NAG A 183 26.092 -13.074 9.888 1.00 0.00 O HETATM 1510 O5 NAG A 183 23.943 -12.104 7.055 1.00 0.00 O HETATM 1511 O6 NAG A 183 26.490 -12.603 6.246 1.00 0.00 O HETATM 1512 O7 NAG A 183 20.879 -15.653 8.067 1.00 0.00 O HETATM 0 HO6 NAG A 183 26.757 -13.464 6.631 1.00 0.00 H new HETATM 0 HO3 NAG A 183 24.546 -14.757 10.875 1.00 0.00 H new HETATM 0 HN2 NAG A 183 21.118 -13.091 9.880 1.00 0.00 H new HETATM 0 H83 NAG A 183 19.102 -14.617 10.368 1.00 0.00 H new HETATM 0 H82 NAG A 183 18.656 -13.686 8.918 1.00 0.00 H new HETATM 0 H81 NAG A 183 18.535 -15.462 8.908 1.00 0.00 H new HETATM 0 H62 NAG A 183 26.204 -10.661 6.873 1.00 0.00 H new HETATM 0 H61 NAG A 183 27.105 -11.678 7.981 1.00 0.00 H new HETATM 0 H5 NAG A 183 24.772 -11.181 8.751 1.00 0.00 H new HETATM 0 H4 NAG A 183 25.365 -14.076 8.218 1.00 0.00 H new HETATM 0 H3 NAG A 183 23.526 -12.757 10.238 1.00 0.00 H new HETATM 0 H2 NAG A 183 22.848 -14.471 7.832 1.00 0.00 H new HETATM 1526 C1 NAG A 184 21.497 -5.584 13.439 1.00 0.00 C HETATM 1527 C2 NAG A 184 21.485 -4.753 14.722 1.00 0.00 C HETATM 1528 C3 NAG A 184 22.628 -3.755 14.707 1.00 0.00 C HETATM 1529 C4 NAG A 184 23.946 -4.468 14.469 1.00 0.00 C HETATM 1530 C5 NAG A 184 23.861 -5.367 13.239 1.00 0.00 C HETATM 1531 C6 NAG A 184 25.097 -6.231 13.073 1.00 0.00 C HETATM 1532 C7 NAG A 184 19.393 -4.317 15.828 1.00 0.00 C HETATM 1533 C8 NAG A 184 18.023 -3.658 15.803 1.00 0.00 C HETATM 1534 N2 NAG A 184 20.225 -4.044 14.828 1.00 0.00 N HETATM 1535 O3 NAG A 184 22.681 -3.085 15.958 1.00 0.00 O HETATM 1536 O4 NAG A 184 24.992 -3.487 14.275 1.00 0.00 O HETATM 1537 O5 NAG A 184 22.740 -6.270 13.326 1.00 0.00 O HETATM 1538 O6 NAG A 184 25.035 -6.996 11.879 1.00 0.00 O HETATM 1539 O7 NAG A 184 19.692 -5.072 16.754 1.00 0.00 O HETATM 0 HO6 NAG A 184 24.105 -7.248 11.700 1.00 0.00 H new HETATM 0 HO3 NAG A 184 23.419 -2.441 15.953 1.00 0.00 H new HETATM 0 HN2 NAG A 184 19.977 -3.337 14.136 1.00 0.00 H new HETATM 0 H83 NAG A 184 18.140 -2.574 15.815 1.00 0.00 H new HETATM 0 H82 NAG A 184 17.492 -3.956 14.899 1.00 0.00 H new HETATM 0 H81 NAG A 184 17.453 -3.971 16.678 1.00 0.00 H new HETATM 0 H62 NAG A 184 25.985 -5.599 13.057 1.00 0.00 H new HETATM 0 H61 NAG A 184 25.195 -6.898 13.930 1.00 0.00 H new HETATM 0 H5 NAG A 184 23.757 -4.689 12.392 1.00 0.00 H new HETATM 0 H4 NAG A 184 24.169 -5.087 15.338 1.00 0.00 H new HETATM 0 H3 NAG A 184 22.461 -3.037 13.904 1.00 0.00 H new HETATM 0 H2 NAG A 184 21.604 -5.418 15.577 1.00 0.00 H new HETATM 1553 C1 GAL A 185 25.328 -3.148 12.968 1.00 0.00 C HETATM 1554 C2 GAL A 185 24.248 -2.257 12.358 1.00 0.00 C HETATM 1555 C3 GAL A 185 24.676 -1.756 10.989 1.00 0.00 C HETATM 1556 C4 GAL A 185 26.053 -1.122 11.056 1.00 0.00 C HETATM 1557 C5 GAL A 185 27.046 -2.070 11.709 1.00 0.00 C HETATM 1558 C6 GAL A 185 28.411 -1.440 11.899 1.00 0.00 C HETATM 1559 O2 GAL A 185 23.048 -2.999 12.216 1.00 0.00 O HETATM 1560 O3 GAL A 185 23.740 -0.791 10.532 1.00 0.00 O HETATM 1561 O4 GAL A 185 25.977 0.072 11.819 1.00 0.00 O HETATM 1562 O5 GAL A 185 26.590 -2.471 13.014 1.00 0.00 O HETATM 1563 O6 GAL A 185 28.994 -1.082 10.653 1.00 0.00 O HETATM 0 HO6 GAL A 185 29.873 -0.677 10.807 1.00 0.00 H new HETATM 0 HO4 GAL A 185 26.159 -0.129 12.761 1.00 0.00 H new HETATM 0 HO3 GAL A 185 24.016 0.100 10.833 1.00 0.00 H new HETATM 0 HO2 GAL A 185 22.287 -2.384 12.169 1.00 0.00 H new HETATM 0 H62 GAL A 185 28.320 -0.554 12.528 1.00 0.00 H new HETATM 0 H61 GAL A 185 29.066 -2.137 12.422 1.00 0.00 H new HETATM 0 H5 GAL A 185 27.124 -2.922 11.034 1.00 0.00 H new HETATM 0 H4 GAL A 185 26.391 -0.903 10.043 1.00 0.00 H new HETATM 0 H3 GAL A 185 24.713 -2.602 10.302 1.00 0.00 H new HETATM 0 H2 GAL A 185 24.091 -1.404 13.019 1.00 0.00 H new HETATM 1575 C1 GAL A 186 27.055 -14.069 9.969 1.00 0.00 C HETATM 1576 C2 GAL A 186 27.966 -14.008 8.748 1.00 0.00 C HETATM 1577 C3 GAL A 186 29.107 -15.000 8.880 1.00 0.00 C HETATM 1578 C4 GAL A 186 29.814 -14.829 10.214 1.00 0.00 C HETATM 1579 C5 GAL A 186 28.812 -14.866 11.359 1.00 0.00 C HETATM 1580 C6 GAL A 186 29.455 -14.596 12.703 1.00 0.00 C HETATM 1581 O2 GAL A 186 27.213 -14.328 7.589 1.00 0.00 O HETATM 1582 O3 GAL A 186 30.037 -14.782 7.829 1.00 0.00 O HETATM 1583 O4 GAL A 186 30.487 -13.578 10.224 1.00 0.00 O HETATM 1584 O5 GAL A 186 27.794 -13.868 11.179 1.00 0.00 O HETATM 1585 O6 GAL A 186 30.461 -15.554 12.996 1.00 0.00 O HETATM 0 HO6 GAL A 186 30.860 -15.353 13.869 1.00 0.00 H new HETATM 0 HO4 GAL A 186 29.893 -12.890 10.591 1.00 0.00 H new HETATM 0 HO3 GAL A 186 30.760 -14.202 8.147 1.00 0.00 H new HETATM 0 HO2 GAL A 186 27.799 -14.744 6.923 1.00 0.00 H new HETATM 0 H62 GAL A 186 29.890 -13.597 12.706 1.00 0.00 H new HETATM 0 H61 GAL A 186 28.694 -14.615 13.483 1.00 0.00 H new HETATM 0 H5 GAL A 186 28.392 -15.872 11.348 1.00 0.00 H new HETATM 0 H4 GAL A 186 30.526 -15.644 10.344 1.00 0.00 H new HETATM 0 H3 GAL A 186 28.702 -16.011 8.824 1.00 0.00 H new HETATM 0 H2 GAL A 186 28.378 -13.002 8.670 1.00 0.00 H new