USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=48 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 44:sc= 1.45 USER MOD Set 1.2: A 186 GAL O2 : rot 35:sc= -0.132 USER MOD Single : A 1 ALA N :NH3+ -138:sc= -2.17! (180deg=-5.14!) USER MOD Single : A 5 GLN : amide:sc= -0.983 K(o=-0.98,f=-7.9!) USER MOD Single : A 11 THR OG1 : rot 60:sc= -0.394! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 15 ASN : amide:sc= -12.4! C(o=-12!,f=-21!) USER MOD Single : A 19 SER OG : rot 68:sc= -0.273 USER MOD Single : A 20 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -51:sc= 1.11 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.247) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.441 (180deg=-1.34!) USER MOD Single : A 52 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.085) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 52:sc= 0.0206 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 82:sc= 0.333 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0424 K(o=-0.042,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -16.1! C(o=-16!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -4.17! USER MOD Single : A 83 HIS : no HE2:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.039 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 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 135:sc= 0.0984 USER MOD Single : A 178 NAG O6 : rot 180:sc= 0 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot 33:sc=0.000781 USER MOD Single : A 180 BMA O2 : rot 157:sc= 0.0793 USER MOD Single : A 180 BMA O4 : rot 150:sc= -0.0091 USER MOD Single : A 181 MAN O3 : rot -12:sc= 0.902 USER MOD Single : A 181 MAN O4 : rot -154:sc= 1.12 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.958 USER MOD Single : A 182 MAN O3 : rot 34:sc= 0.11 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 30:sc= 0.0538 USER MOD Single : A 183 NAG O3 : rot -171:sc= 1.06 USER MOD Single : A 184 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O6 : rot -35:sc= 0.0279 USER MOD Single : A 185 GAL O2 : rot 180:sc= 0 USER MOD Single : A 185 GAL O3 : rot 101:sc= 0.0687 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0674 USER MOD Single : A 185 GAL O6 : rot -27:sc= 0.0387 USER MOD Single : A 186 GAL O3 : rot 99:sc= 0.0944 USER MOD Single : A 186 GAL O4 : rot -159:sc= 0.0463 USER MOD Single : A 186 GAL O6 : rot -35:sc= 0.0344 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.199 -1.934 -11.392 1.00 0.00 N ATOM 2 CA ALA A 1 -11.390 -0.460 -11.392 1.00 0.00 C ATOM 3 C ALA A 1 -11.169 0.120 -12.785 1.00 0.00 C ATOM 4 O ALA A 1 -11.989 0.888 -13.287 1.00 0.00 O ATOM 5 CB ALA A 1 -10.450 0.194 -10.392 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.940 -2.380 -10.815 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.257 -2.292 -12.367 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.266 -2.163 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.418 -0.251 -11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.601 1.273 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.656 -0.191 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.418 -0.031 -10.662 1.00 0.00 H new ATOM 13 N PRO A 2 -10.051 -0.247 -13.428 1.00 0.00 N ATOM 14 CA PRO A 2 -9.712 0.233 -14.772 1.00 0.00 C ATOM 15 C PRO A 2 -10.732 -0.215 -15.814 1.00 0.00 C ATOM 16 O PRO A 2 -11.826 -0.666 -15.473 1.00 0.00 O ATOM 17 CB PRO A 2 -8.346 -0.406 -15.058 1.00 0.00 C ATOM 18 CG PRO A 2 -7.824 -0.835 -13.728 1.00 0.00 C ATOM 19 CD PRO A 2 -9.029 -1.158 -12.894 1.00 0.00 C ATOM 0 HA PRO A 2 -9.702 1.322 -14.821 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.443 -1.255 -15.735 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.671 0.305 -15.534 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.173 -1.704 -13.826 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.232 -0.044 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.324 -2.202 -12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.846 -0.983 -11.834 1.00 0.00 H new ATOM 27 N ASP A 3 -10.367 -0.093 -17.085 1.00 0.00 N ATOM 28 CA ASP A 3 -11.251 -0.491 -18.175 1.00 0.00 C ATOM 29 C ASP A 3 -11.288 -2.010 -18.311 1.00 0.00 C ATOM 30 O ASP A 3 -12.335 -2.633 -18.136 1.00 0.00 O ATOM 31 CB ASP A 3 -10.795 0.143 -19.491 1.00 0.00 C ATOM 32 CG ASP A 3 -11.656 1.324 -19.893 1.00 0.00 C ATOM 33 OD1 ASP A 3 -12.729 1.514 -19.281 1.00 0.00 O ATOM 34 OD2 ASP A 3 -11.258 2.061 -20.820 1.00 0.00 O ATOM 0 H ASP A 3 -9.466 0.278 -17.386 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.256 -0.138 -17.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.759 0.468 -19.395 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.821 -0.608 -20.281 1.00 0.00 H new ATOM 39 N VAL A 4 -10.136 -2.601 -18.620 1.00 0.00 N ATOM 40 CA VAL A 4 -10.035 -4.049 -18.773 1.00 0.00 C ATOM 41 C VAL A 4 -8.621 -4.538 -18.473 1.00 0.00 C ATOM 42 O VAL A 4 -8.245 -5.650 -18.845 1.00 0.00 O ATOM 43 CB VAL A 4 -10.437 -4.497 -20.193 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.259 -4.396 -21.150 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.990 -5.914 -20.164 1.00 0.00 C ATOM 0 H VAL A 4 -9.260 -2.099 -18.769 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.727 -4.491 -18.055 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.218 -3.829 -20.554 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.569 -4.718 -22.144 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.914 -3.363 -21.194 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.449 -5.035 -20.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.269 -6.216 -21.173 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.230 -6.594 -19.779 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.868 -5.949 -19.519 1.00 0.00 H new ATOM 55 N GLN A 5 -7.842 -3.701 -17.794 1.00 0.00 N ATOM 56 CA GLN A 5 -6.470 -4.048 -17.443 1.00 0.00 C ATOM 57 C GLN A 5 -6.422 -4.779 -16.104 1.00 0.00 C ATOM 58 O GLN A 5 -7.431 -4.889 -15.409 1.00 0.00 O ATOM 59 CB GLN A 5 -5.605 -2.789 -17.387 1.00 0.00 C ATOM 60 CG GLN A 5 -4.919 -2.465 -18.705 1.00 0.00 C ATOM 61 CD GLN A 5 -5.852 -1.811 -19.704 1.00 0.00 C ATOM 62 OE1 GLN A 5 -7.039 -2.132 -19.767 1.00 0.00 O ATOM 63 NE2 GLN A 5 -5.319 -0.887 -20.495 1.00 0.00 N ATOM 0 H GLN A 5 -8.138 -2.778 -17.476 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.078 -4.714 -18.212 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.227 -1.943 -17.093 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.848 -2.912 -16.613 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.073 -1.804 -18.517 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.517 -3.382 -19.136 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.330 -0.651 -20.409 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.898 -0.413 -21.188 1.00 0.00 H new ATOM 72 N ASP A 6 -5.242 -5.280 -15.751 1.00 0.00 N ATOM 73 CA ASP A 6 -5.065 -6.003 -14.497 1.00 0.00 C ATOM 74 C ASP A 6 -4.468 -5.099 -13.423 1.00 0.00 C ATOM 75 O ASP A 6 -3.707 -4.179 -13.722 1.00 0.00 O ATOM 76 CB ASP A 6 -4.167 -7.223 -14.709 1.00 0.00 C ATOM 77 CG ASP A 6 -4.803 -8.258 -15.616 1.00 0.00 C ATOM 78 OD1 ASP A 6 -5.509 -7.862 -16.567 1.00 0.00 O ATOM 79 OD2 ASP A 6 -4.595 -9.466 -15.374 1.00 0.00 O ATOM 0 H ASP A 6 -4.396 -5.199 -16.315 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.047 -6.336 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.218 -6.902 -15.138 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.943 -7.678 -13.744 1.00 0.00 H new ATOM 84 N CYS A 7 -4.817 -5.373 -12.171 1.00 0.00 N ATOM 85 CA CYS A 7 -4.314 -4.592 -11.048 1.00 0.00 C ATOM 86 C CYS A 7 -3.971 -5.503 -9.876 1.00 0.00 C ATOM 87 O CYS A 7 -4.678 -6.472 -9.602 1.00 0.00 O ATOM 88 CB CYS A 7 -5.348 -3.547 -10.616 1.00 0.00 C ATOM 89 SG CYS A 7 -4.619 -1.988 -10.015 1.00 0.00 S ATOM 0 H CYS A 7 -5.447 -6.131 -11.908 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.408 -4.077 -11.368 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.003 -3.329 -11.459 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.972 -3.972 -9.829 1.00 0.00 H new ATOM 94 N PRO A 8 -2.870 -5.206 -9.173 1.00 0.00 N ATOM 95 CA PRO A 8 -2.423 -5.995 -8.034 1.00 0.00 C ATOM 96 C PRO A 8 -3.077 -5.558 -6.728 1.00 0.00 C ATOM 97 O PRO A 8 -3.919 -4.660 -6.714 1.00 0.00 O ATOM 98 CB PRO A 8 -0.919 -5.730 -8.007 1.00 0.00 C ATOM 99 CG PRO A 8 -0.737 -4.376 -8.621 1.00 0.00 C ATOM 100 CD PRO A 8 -1.972 -4.073 -9.441 1.00 0.00 C ATOM 0 HA PRO A 8 -2.684 -7.049 -8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.535 -5.753 -6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.377 -6.491 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.597 -3.621 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.153 -4.358 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.425 -3.127 -9.144 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.736 -3.994 -10.502 1.00 0.00 H new ATOM 108 N GLU A 9 -2.688 -6.202 -5.631 1.00 0.00 N ATOM 109 CA GLU A 9 -3.238 -5.883 -4.322 1.00 0.00 C ATOM 110 C GLU A 9 -2.471 -4.737 -3.673 1.00 0.00 C ATOM 111 O GLU A 9 -1.243 -4.683 -3.730 1.00 0.00 O ATOM 112 CB GLU A 9 -3.208 -7.113 -3.413 1.00 0.00 C ATOM 113 CG GLU A 9 -3.412 -6.788 -1.940 1.00 0.00 C ATOM 114 CD GLU A 9 -2.348 -7.406 -1.056 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.439 -8.620 -0.779 1.00 0.00 O ATOM 116 OE2 GLU A 9 -1.424 -6.676 -0.640 1.00 0.00 O ATOM 0 H GLU A 9 -1.993 -6.948 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.273 -5.571 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.983 -7.810 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.252 -7.621 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.408 -5.706 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.393 -7.144 -1.625 1.00 0.00 H new ATOM 123 N CYS A 10 -3.213 -3.825 -3.059 1.00 0.00 N ATOM 124 CA CYS A 10 -2.622 -2.669 -2.395 1.00 0.00 C ATOM 125 C CYS A 10 -1.400 -3.063 -1.574 1.00 0.00 C ATOM 126 O CYS A 10 -1.513 -3.790 -0.588 1.00 0.00 O ATOM 127 CB CYS A 10 -3.655 -2.004 -1.481 1.00 0.00 C ATOM 128 SG CYS A 10 -2.957 -0.746 -0.362 1.00 0.00 S ATOM 0 H CYS A 10 -4.231 -3.863 -3.007 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.306 -1.968 -3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.425 -1.540 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.146 -2.773 -0.885 1.00 0.00 H new ATOM 133 N THR A 11 -0.234 -2.564 -1.972 1.00 0.00 N ATOM 134 CA THR A 11 0.997 -2.855 -1.254 1.00 0.00 C ATOM 135 C THR A 11 2.166 -2.091 -1.843 1.00 0.00 C ATOM 136 O THR A 11 1.991 -1.197 -2.670 1.00 0.00 O ATOM 137 CB THR A 11 1.305 -4.352 -1.264 1.00 0.00 C ATOM 138 OG1 THR A 11 2.573 -4.605 -0.685 1.00 0.00 O ATOM 139 CG2 THR A 11 1.310 -4.956 -2.652 1.00 0.00 C ATOM 0 H THR A 11 -0.118 -1.959 -2.785 1.00 0.00 H new ATOM 0 HA THR A 11 0.850 -2.535 -0.222 1.00 0.00 H new ATOM 0 HB THR A 11 0.504 -4.814 -0.687 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.579 -4.285 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.535 -6.020 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.331 -4.821 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.068 -4.462 -3.261 1.00 0.00 H new ATOM 147 N LEU A 12 3.359 -2.452 -1.401 1.00 0.00 N ATOM 148 CA LEU A 12 4.572 -1.808 -1.863 1.00 0.00 C ATOM 149 C LEU A 12 5.082 -2.439 -3.138 1.00 0.00 C ATOM 150 O LEU A 12 5.219 -3.659 -3.237 1.00 0.00 O ATOM 151 CB LEU A 12 5.636 -1.870 -0.782 1.00 0.00 C ATOM 152 CG LEU A 12 5.397 -0.922 0.388 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.095 -1.273 1.088 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.556 -0.990 1.352 1.00 0.00 C ATOM 0 H LEU A 12 3.511 -3.194 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 12 4.340 -0.765 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.693 -2.890 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.604 -1.642 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 12 5.320 0.098 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.934 -0.590 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.268 -1.186 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.147 -2.296 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.377 -0.310 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.656 -2.008 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.473 -0.702 0.839 1.00 0.00 H new ATOM 166 N GLN A 13 5.368 -1.595 -4.112 1.00 0.00 N ATOM 167 CA GLN A 13 5.873 -2.063 -5.390 1.00 0.00 C ATOM 168 C GLN A 13 7.373 -2.090 -5.378 1.00 0.00 C ATOM 169 O GLN A 13 8.040 -1.567 -6.270 1.00 0.00 O ATOM 170 CB GLN A 13 5.383 -1.185 -6.506 1.00 0.00 C ATOM 171 CG GLN A 13 3.895 -1.317 -6.731 1.00 0.00 C ATOM 172 CD GLN A 13 3.553 -1.795 -8.129 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.026 -1.242 -9.121 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.730 -2.834 -8.211 1.00 0.00 N ATOM 0 H GLN A 13 5.260 -0.583 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 13 5.502 -3.075 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.623 -0.146 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.911 -1.441 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.482 -2.015 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.418 -0.353 -6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.362 -3.261 -7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.466 -3.205 -9.124 1.00 0.00 H new ATOM 183 N GLU A 14 7.872 -2.687 -4.327 1.00 0.00 N ATOM 184 CA GLU A 14 9.304 -2.804 -4.091 1.00 0.00 C ATOM 185 C GLU A 14 10.086 -2.180 -5.217 1.00 0.00 C ATOM 186 O GLU A 14 10.064 -2.632 -6.362 1.00 0.00 O ATOM 187 CB GLU A 14 9.746 -4.243 -3.895 1.00 0.00 C ATOM 188 CG GLU A 14 11.182 -4.372 -3.398 1.00 0.00 C ATOM 189 CD GLU A 14 11.731 -5.777 -3.561 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.465 -6.401 -4.610 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.425 -6.255 -2.640 1.00 0.00 O ATOM 0 H GLU A 14 7.298 -3.112 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 14 9.509 -2.266 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.078 -4.727 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.647 -4.778 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.816 -3.673 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.226 -4.088 -2.346 1.00 0.00 H new ATOM 198 N ASN A 15 10.757 -1.126 -4.855 1.00 0.00 N ATOM 199 CA ASN A 15 11.565 -0.355 -5.771 1.00 0.00 C ATOM 200 C ASN A 15 12.349 -1.234 -6.730 1.00 0.00 C ATOM 201 O ASN A 15 13.402 -1.765 -6.378 1.00 0.00 O ATOM 202 CB ASN A 15 12.517 0.509 -4.976 1.00 0.00 C ATOM 203 CG ASN A 15 12.761 1.844 -5.626 1.00 0.00 C ATOM 204 OD1 ASN A 15 13.752 2.043 -6.328 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.849 2.763 -5.390 1.00 0.00 N ATOM 0 H ASN A 15 10.762 -0.767 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 15 10.897 0.261 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.113 0.664 -3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.466 -0.014 -4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.945 3.693 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.046 2.545 -4.800 1.00 0.00 H new ATOM 212 N PRO A 16 11.866 -1.380 -7.972 1.00 0.00 N ATOM 213 CA PRO A 16 12.552 -2.172 -8.986 1.00 0.00 C ATOM 214 C PRO A 16 13.849 -1.497 -9.408 1.00 0.00 C ATOM 215 O PRO A 16 14.548 -1.952 -10.313 1.00 0.00 O ATOM 216 CB PRO A 16 11.561 -2.228 -10.159 1.00 0.00 C ATOM 217 CG PRO A 16 10.273 -1.686 -9.624 1.00 0.00 C ATOM 218 CD PRO A 16 10.641 -0.766 -8.494 1.00 0.00 C ATOM 0 HA PRO A 16 12.827 -3.163 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.916 -1.634 -11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.437 -3.249 -10.519 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.725 -1.150 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.627 -2.492 -9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.813 0.253 -8.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.857 -0.718 -7.738 1.00 0.00 H new ATOM 226 N PHE A 17 14.149 -0.406 -8.721 1.00 0.00 N ATOM 227 CA PHE A 17 15.349 0.376 -8.967 1.00 0.00 C ATOM 228 C PHE A 17 16.311 0.231 -7.800 1.00 0.00 C ATOM 229 O PHE A 17 17.463 -0.170 -7.967 1.00 0.00 O ATOM 230 CB PHE A 17 14.982 1.851 -9.139 1.00 0.00 C ATOM 231 CG PHE A 17 16.169 2.733 -9.398 1.00 0.00 C ATOM 232 CD1 PHE A 17 17.064 3.025 -8.381 1.00 0.00 C ATOM 233 CD2 PHE A 17 16.393 3.266 -10.656 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.160 3.834 -8.614 1.00 0.00 C ATOM 235 CE2 PHE A 17 17.486 4.076 -10.896 1.00 0.00 C ATOM 236 CZ PHE A 17 18.372 4.360 -9.874 1.00 0.00 C ATOM 0 H PHE A 17 13.563 -0.036 -7.973 1.00 0.00 H new ATOM 0 HA PHE A 17 15.826 0.011 -9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.278 1.949 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.470 2.198 -8.242 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.903 2.616 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 17 15.705 3.046 -11.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 18.850 4.055 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.648 4.487 -11.882 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.228 4.992 -10.060 1.00 0.00 H new ATOM 246 N PHE A 18 15.816 0.564 -6.614 1.00 0.00 N ATOM 247 CA PHE A 18 16.605 0.478 -5.394 1.00 0.00 C ATOM 248 C PHE A 18 16.793 -0.975 -4.981 1.00 0.00 C ATOM 249 O PHE A 18 17.767 -1.322 -4.310 1.00 0.00 O ATOM 250 CB PHE A 18 15.909 1.245 -4.270 1.00 0.00 C ATOM 251 CG PHE A 18 16.807 2.198 -3.538 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.889 1.728 -2.814 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.569 3.562 -3.570 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.719 2.598 -2.134 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.395 4.439 -2.893 1.00 0.00 C ATOM 256 CZ PHE A 18 18.472 3.957 -2.175 1.00 0.00 C ATOM 0 H PHE A 18 14.863 0.899 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 18 17.584 0.919 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.070 1.801 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.496 0.531 -3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.087 0.667 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.729 3.944 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.559 2.217 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.199 5.500 -2.925 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.120 4.641 -1.647 1.00 0.00 H new ATOM 266 N SER A 19 15.850 -1.819 -5.380 1.00 0.00 N ATOM 267 CA SER A 19 15.905 -3.237 -5.046 1.00 0.00 C ATOM 268 C SER A 19 17.291 -3.808 -5.322 1.00 0.00 C ATOM 269 O SER A 19 17.614 -4.160 -6.457 1.00 0.00 O ATOM 270 CB SER A 19 14.850 -4.015 -5.835 1.00 0.00 C ATOM 271 OG SER A 19 13.566 -3.863 -5.256 1.00 0.00 O ATOM 0 H SER A 19 15.038 -1.547 -5.935 1.00 0.00 H new ATOM 0 HA SER A 19 15.696 -3.340 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.831 -3.664 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.117 -5.071 -5.862 1.00 0.00 H new ATOM 0 HG SER A 19 13.264 -2.937 -5.367 1.00 0.00 H new ATOM 277 N GLN A 20 18.104 -3.895 -4.276 1.00 0.00 N ATOM 278 CA GLN A 20 19.459 -4.422 -4.397 1.00 0.00 C ATOM 279 C GLN A 20 19.764 -5.377 -3.247 1.00 0.00 C ATOM 280 O GLN A 20 19.390 -5.120 -2.106 1.00 0.00 O ATOM 281 CB GLN A 20 20.470 -3.272 -4.401 1.00 0.00 C ATOM 282 CG GLN A 20 21.857 -3.677 -3.929 1.00 0.00 C ATOM 283 CD GLN A 20 22.929 -2.696 -4.359 1.00 0.00 C ATOM 284 OE1 GLN A 20 22.744 -1.935 -5.310 1.00 0.00 O ATOM 285 NE2 GLN A 20 24.058 -2.708 -3.661 1.00 0.00 N ATOM 0 H GLN A 20 17.848 -3.607 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 20 19.536 -4.970 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.543 -2.868 -5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.098 -2.471 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.858 -3.757 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 20 22.096 -4.665 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.168 -3.355 -2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.815 -2.070 -3.905 1.00 0.00 H new ATOM 294 N PRO A 21 20.455 -6.495 -3.532 1.00 0.00 N ATOM 295 CA PRO A 21 20.813 -7.482 -2.518 1.00 0.00 C ATOM 296 C PRO A 21 21.134 -6.842 -1.171 1.00 0.00 C ATOM 297 O PRO A 21 22.299 -6.629 -0.838 1.00 0.00 O ATOM 298 CB PRO A 21 22.059 -8.128 -3.116 1.00 0.00 C ATOM 299 CG PRO A 21 21.859 -8.057 -4.595 1.00 0.00 C ATOM 300 CD PRO A 21 20.947 -6.881 -4.865 1.00 0.00 C ATOM 0 HA PRO A 21 20.002 -8.179 -2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.962 -7.598 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.168 -9.160 -2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.813 -7.930 -5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 21 21.417 -8.981 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.484 -6.062 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.127 -7.156 -5.528 1.00 0.00 H new ATOM 308 N GLY A 22 20.093 -6.531 -0.402 1.00 0.00 N ATOM 309 CA GLY A 22 20.288 -5.915 0.896 1.00 0.00 C ATOM 310 C GLY A 22 19.412 -4.692 1.096 1.00 0.00 C ATOM 311 O GLY A 22 19.372 -4.122 2.187 1.00 0.00 O ATOM 0 H GLY A 22 19.119 -6.695 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.072 -6.644 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.334 -5.630 1.006 1.00 0.00 H new ATOM 315 N ALA A 23 18.707 -4.284 0.044 1.00 0.00 N ATOM 316 CA ALA A 23 17.832 -3.118 0.122 1.00 0.00 C ATOM 317 C ALA A 23 16.789 -3.122 -0.974 1.00 0.00 C ATOM 318 O ALA A 23 17.061 -2.814 -2.134 1.00 0.00 O ATOM 319 CB ALA A 23 18.651 -1.839 0.081 1.00 0.00 C ATOM 0 H ALA A 23 18.724 -4.741 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 23 17.301 -3.166 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.985 -0.978 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.341 -1.822 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.215 -1.798 -0.851 1.00 0.00 H new ATOM 325 N PRO A 24 15.576 -3.513 -0.593 1.00 0.00 N ATOM 326 CA PRO A 24 14.433 -3.630 -1.465 1.00 0.00 C ATOM 327 C PRO A 24 13.407 -2.525 -1.270 1.00 0.00 C ATOM 328 O PRO A 24 12.283 -2.780 -0.843 1.00 0.00 O ATOM 329 CB PRO A 24 13.878 -4.967 -0.989 1.00 0.00 C ATOM 330 CG PRO A 24 14.236 -5.047 0.474 1.00 0.00 C ATOM 331 CD PRO A 24 15.213 -3.938 0.751 1.00 0.00 C ATOM 0 HA PRO A 24 14.683 -3.560 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.799 -5.019 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.315 -5.795 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.346 -4.941 1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.676 -6.016 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.761 -3.130 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.077 -4.287 1.316 1.00 0.00 H new ATOM 339 N ILE A 25 13.802 -1.306 -1.596 1.00 0.00 N ATOM 340 CA ILE A 25 12.941 -0.157 -1.485 1.00 0.00 C ATOM 341 C ILE A 25 11.527 -0.446 -1.960 1.00 0.00 C ATOM 342 O ILE A 25 11.181 -1.591 -2.245 1.00 0.00 O ATOM 343 CB ILE A 25 13.557 0.987 -2.273 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.820 1.402 -1.568 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.609 2.162 -2.356 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.569 1.597 -0.098 1.00 0.00 C ATOM 0 H ILE A 25 14.736 -1.092 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 25 12.857 0.115 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 25 13.768 0.659 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.589 0.644 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.198 2.327 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.075 2.966 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.689 1.853 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.379 2.515 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.495 1.897 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.816 2.373 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.214 0.663 0.337 1.00 0.00 H new ATOM 358 N LEU A 26 10.684 0.579 -1.962 1.00 0.00 N ATOM 359 CA LEU A 26 9.292 0.390 -2.301 1.00 0.00 C ATOM 360 C LEU A 26 8.638 1.585 -2.927 1.00 0.00 C ATOM 361 O LEU A 26 9.281 2.488 -3.454 1.00 0.00 O ATOM 362 CB LEU A 26 8.591 0.077 -1.008 1.00 0.00 C ATOM 363 CG LEU A 26 9.575 -0.227 0.094 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.065 0.232 1.439 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.927 -1.703 0.113 1.00 0.00 C ATOM 0 H LEU A 26 10.943 1.539 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 26 9.225 -0.403 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.967 0.922 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.927 -0.776 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 26 10.486 0.334 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.801 -0.004 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.897 1.309 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.128 -0.277 1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.638 -1.897 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.024 -2.290 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.373 -1.983 -0.842 1.00 0.00 H new ATOM 377 N GLN A 27 7.325 1.544 -2.850 1.00 0.00 N ATOM 378 CA GLN A 27 6.486 2.595 -3.393 1.00 0.00 C ATOM 379 C GLN A 27 5.020 2.143 -3.473 1.00 0.00 C ATOM 380 O GLN A 27 4.445 2.049 -4.557 1.00 0.00 O ATOM 381 CB GLN A 27 7.027 3.000 -4.769 1.00 0.00 C ATOM 382 CG GLN A 27 6.108 3.924 -5.554 1.00 0.00 C ATOM 383 CD GLN A 27 6.744 4.430 -6.834 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.960 5.631 -7.003 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.050 3.513 -7.745 1.00 0.00 N ATOM 0 H GLN A 27 6.808 0.783 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 27 6.512 3.462 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.991 3.491 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.206 2.099 -5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.186 3.394 -5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.833 4.774 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.854 2.529 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.481 3.793 -8.626 1.00 0.00 H new ATOM 394 N CYS A 28 4.427 1.860 -2.304 1.00 0.00 N ATOM 395 CA CYS A 28 3.029 1.413 -2.214 1.00 0.00 C ATOM 396 C CYS A 28 2.238 1.779 -3.464 1.00 0.00 C ATOM 397 O CYS A 28 1.972 2.953 -3.721 1.00 0.00 O ATOM 398 CB CYS A 28 2.330 2.010 -0.984 1.00 0.00 C ATOM 399 SG CYS A 28 3.007 1.452 0.618 1.00 0.00 S ATOM 0 H CYS A 28 4.898 1.933 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 28 3.056 0.327 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.399 3.097 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.271 1.756 -1.025 1.00 0.00 H new ATOM 404 N MET A 29 1.853 0.766 -4.232 1.00 0.00 N ATOM 405 CA MET A 29 1.076 0.987 -5.448 1.00 0.00 C ATOM 406 C MET A 29 0.338 -0.282 -5.861 1.00 0.00 C ATOM 407 O MET A 29 0.939 -1.217 -6.387 1.00 0.00 O ATOM 408 CB MET A 29 1.979 1.463 -6.589 1.00 0.00 C ATOM 409 CG MET A 29 1.437 2.682 -7.322 1.00 0.00 C ATOM 410 SD MET A 29 1.947 4.236 -6.560 1.00 0.00 S ATOM 411 CE MET A 29 1.741 5.376 -7.926 1.00 0.00 C ATOM 0 H MET A 29 2.065 -0.212 -4.036 1.00 0.00 H new ATOM 0 HA MET A 29 0.340 1.763 -5.237 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.965 1.698 -6.188 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.111 0.649 -7.302 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.779 2.660 -8.357 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.348 2.633 -7.344 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.018 6.381 -7.607 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.379 5.070 -8.755 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.700 5.373 -8.249 1.00 0.00 H new ATOM 421 N GLY A 30 -0.968 -0.305 -5.616 1.00 0.00 N ATOM 422 CA GLY A 30 -1.766 -1.463 -5.968 1.00 0.00 C ATOM 423 C GLY A 30 -3.195 -1.100 -6.323 1.00 0.00 C ATOM 424 O GLY A 30 -3.433 -0.161 -7.083 1.00 0.00 O ATOM 0 H GLY A 30 -1.487 0.457 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.304 -1.975 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.770 -2.164 -5.134 1.00 0.00 H new ATOM 428 N CYS A 31 -4.147 -1.847 -5.774 1.00 0.00 N ATOM 429 CA CYS A 31 -5.561 -1.604 -6.036 1.00 0.00 C ATOM 430 C CYS A 31 -6.418 -2.092 -4.871 1.00 0.00 C ATOM 431 O CYS A 31 -6.366 -3.265 -4.501 1.00 0.00 O ATOM 432 CB CYS A 31 -5.988 -2.310 -7.325 1.00 0.00 C ATOM 433 SG CYS A 31 -6.045 -1.225 -8.787 1.00 0.00 S ATOM 0 H CYS A 31 -3.964 -2.628 -5.143 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.707 -0.530 -6.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.298 -3.131 -7.522 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.973 -2.751 -7.175 1.00 0.00 H new ATOM 438 N CYS A 32 -7.203 -1.186 -4.294 1.00 0.00 N ATOM 439 CA CYS A 32 -8.068 -1.528 -3.171 1.00 0.00 C ATOM 440 C CYS A 32 -9.459 -1.925 -3.658 1.00 0.00 C ATOM 441 O CYS A 32 -10.221 -1.088 -4.140 1.00 0.00 O ATOM 442 CB CYS A 32 -8.171 -0.350 -2.200 1.00 0.00 C ATOM 443 SG CYS A 32 -6.619 0.583 -1.988 1.00 0.00 S ATOM 0 H CYS A 32 -7.257 -0.210 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.627 -2.379 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.945 0.331 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.493 -0.722 -1.228 1.00 0.00 H new ATOM 448 N PHE A 33 -9.779 -3.209 -3.533 1.00 0.00 N ATOM 449 CA PHE A 33 -11.076 -3.718 -3.964 1.00 0.00 C ATOM 450 C PHE A 33 -12.014 -3.919 -2.780 1.00 0.00 C ATOM 451 O PHE A 33 -11.572 -4.062 -1.639 1.00 0.00 O ATOM 452 CB PHE A 33 -10.905 -5.038 -4.719 1.00 0.00 C ATOM 453 CG PHE A 33 -9.778 -5.886 -4.200 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.871 -6.507 -2.964 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.624 -6.060 -4.947 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.836 -7.287 -2.485 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.586 -6.838 -4.473 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.691 -7.452 -3.240 1.00 0.00 C ATOM 0 H PHE A 33 -9.159 -3.915 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.519 -2.977 -4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.834 -5.605 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.732 -4.824 -5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.763 -6.380 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.535 -5.582 -5.911 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.922 -7.767 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.693 -6.966 -5.066 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.880 -8.060 -2.867 1.00 0.00 H new ATOM 468 N SER A 34 -13.312 -3.933 -3.063 1.00 0.00 N ATOM 469 CA SER A 34 -14.324 -4.122 -2.030 1.00 0.00 C ATOM 470 C SER A 34 -15.725 -4.025 -2.627 1.00 0.00 C ATOM 471 O SER A 34 -16.427 -5.027 -2.754 1.00 0.00 O ATOM 472 CB SER A 34 -14.151 -3.087 -0.917 1.00 0.00 C ATOM 473 OG SER A 34 -15.261 -3.094 -0.035 1.00 0.00 O ATOM 0 H SER A 34 -13.689 -3.815 -4.003 1.00 0.00 H new ATOM 0 HA SER A 34 -14.197 -5.117 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.238 -3.298 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.036 -2.095 -1.354 1.00 0.00 H new ATOM 0 HG SER A 34 -15.125 -2.425 0.668 1.00 0.00 H new ATOM 479 N ARG A 35 -16.121 -2.811 -2.996 1.00 0.00 N ATOM 480 CA ARG A 35 -17.435 -2.581 -3.589 1.00 0.00 C ATOM 481 C ARG A 35 -18.502 -3.435 -2.909 1.00 0.00 C ATOM 482 O ARG A 35 -18.311 -3.908 -1.789 1.00 0.00 O ATOM 483 CB ARG A 35 -17.395 -2.884 -5.087 1.00 0.00 C ATOM 484 CG ARG A 35 -16.058 -2.553 -5.735 1.00 0.00 C ATOM 485 CD ARG A 35 -16.025 -2.966 -7.198 1.00 0.00 C ATOM 486 NE ARG A 35 -17.363 -3.178 -7.742 1.00 0.00 N ATOM 487 CZ ARG A 35 -17.682 -4.174 -8.564 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.763 -5.053 -8.943 1.00 0.00 N ATOM 489 NH2 ARG A 35 -18.925 -4.292 -9.011 1.00 0.00 N ATOM 0 H ARG A 35 -15.551 -1.971 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 35 -17.695 -1.533 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.614 -3.940 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.182 -2.318 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.870 -1.482 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.257 -3.059 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.516 -2.197 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.443 -3.882 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 35 -18.098 -2.523 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.805 -4.967 -8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.015 -5.814 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.636 -3.619 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.170 -5.056 -9.641 1.00 0.00 H new ATOM 503 N ALA A 36 -19.626 -3.623 -3.593 1.00 0.00 N ATOM 504 CA ALA A 36 -20.727 -4.415 -3.055 1.00 0.00 C ATOM 505 C ALA A 36 -20.418 -5.908 -3.113 1.00 0.00 C ATOM 506 O ALA A 36 -20.509 -6.530 -4.171 1.00 0.00 O ATOM 507 CB ALA A 36 -22.012 -4.110 -3.810 1.00 0.00 C ATOM 0 H ALA A 36 -19.799 -3.238 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.857 -4.142 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.826 -4.707 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -22.251 -3.051 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -21.881 -4.352 -4.865 1.00 0.00 H new ATOM 513 N TYR A 37 -20.062 -6.474 -1.963 1.00 0.00 N ATOM 514 CA TYR A 37 -19.742 -7.897 -1.861 1.00 0.00 C ATOM 515 C TYR A 37 -18.781 -8.152 -0.704 1.00 0.00 C ATOM 516 O TYR A 37 -17.636 -8.553 -0.913 1.00 0.00 O ATOM 517 CB TYR A 37 -19.131 -8.414 -3.165 1.00 0.00 C ATOM 518 CG TYR A 37 -18.549 -9.806 -3.047 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.291 -10.843 -2.498 1.00 0.00 C ATOM 520 CD2 TYR A 37 -17.259 -10.080 -3.482 1.00 0.00 C ATOM 521 CE1 TYR A 37 -18.763 -12.116 -2.387 1.00 0.00 C ATOM 522 CE2 TYR A 37 -16.724 -11.348 -3.375 1.00 0.00 C ATOM 523 CZ TYR A 37 -17.479 -12.363 -2.826 1.00 0.00 C ATOM 524 OH TYR A 37 -16.950 -13.629 -2.717 1.00 0.00 O ATOM 0 H TYR A 37 -19.987 -5.965 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 37 -20.672 -8.434 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -19.896 -8.413 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.348 -7.727 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -20.296 -10.652 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.664 -9.287 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.353 -12.913 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.719 -11.544 -3.719 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.037 -13.634 -3.073 1.00 0.00 H new ATOM 534 N PRO A 38 -19.238 -7.914 0.534 1.00 0.00 N ATOM 535 CA PRO A 38 -18.419 -8.110 1.732 1.00 0.00 C ATOM 536 C PRO A 38 -18.281 -9.579 2.113 1.00 0.00 C ATOM 537 O PRO A 38 -18.882 -10.455 1.489 1.00 0.00 O ATOM 538 CB PRO A 38 -19.195 -7.353 2.806 1.00 0.00 C ATOM 539 CG PRO A 38 -20.616 -7.431 2.367 1.00 0.00 C ATOM 540 CD PRO A 38 -20.591 -7.428 0.860 1.00 0.00 C ATOM 0 HA PRO A 38 -17.396 -7.760 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -19.058 -7.806 3.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.860 -6.319 2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -21.092 -8.335 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -21.188 -6.585 2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -21.361 -8.078 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -20.766 -6.430 0.458 1.00 0.00 H new ATOM 548 N THR A 39 -17.485 -9.841 3.145 1.00 0.00 N ATOM 549 CA THR A 39 -17.262 -11.203 3.616 1.00 0.00 C ATOM 550 C THR A 39 -16.980 -11.220 5.116 1.00 0.00 C ATOM 551 O THR A 39 -16.763 -10.175 5.730 1.00 0.00 O ATOM 552 CB THR A 39 -16.095 -11.839 2.860 1.00 0.00 C ATOM 553 OG1 THR A 39 -15.042 -10.907 2.691 1.00 0.00 O ATOM 554 CG2 THR A 39 -16.479 -12.355 1.490 1.00 0.00 C ATOM 0 H THR A 39 -16.983 -9.126 3.672 1.00 0.00 H new ATOM 0 HA THR A 39 -18.167 -11.780 3.428 1.00 0.00 H new ATOM 0 HB THR A 39 -15.780 -12.684 3.471 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.303 -11.332 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.605 -12.793 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.256 -13.113 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.853 -11.531 0.882 1.00 0.00 H new ATOM 562 N PRO A 40 -16.979 -12.416 5.725 1.00 0.00 N ATOM 563 CA PRO A 40 -16.722 -12.580 7.158 1.00 0.00 C ATOM 564 C PRO A 40 -15.268 -12.295 7.515 1.00 0.00 C ATOM 565 O PRO A 40 -14.953 -11.945 8.652 1.00 0.00 O ATOM 566 CB PRO A 40 -17.054 -14.057 7.428 1.00 0.00 C ATOM 567 CG PRO A 40 -17.733 -14.554 6.193 1.00 0.00 C ATOM 568 CD PRO A 40 -17.226 -13.701 5.066 1.00 0.00 C ATOM 0 HA PRO A 40 -17.313 -11.885 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.150 -14.630 7.634 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.702 -14.159 8.299 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.504 -15.605 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.816 -14.474 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.318 -14.111 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.959 -13.611 4.264 1.00 0.00 H new ATOM 576 N LEU A 41 -14.388 -12.451 6.535 1.00 0.00 N ATOM 577 CA LEU A 41 -12.965 -12.215 6.737 1.00 0.00 C ATOM 578 C LEU A 41 -12.576 -10.819 6.265 1.00 0.00 C ATOM 579 O LEU A 41 -11.642 -10.655 5.479 1.00 0.00 O ATOM 580 CB LEU A 41 -12.144 -13.267 5.987 1.00 0.00 C ATOM 581 CG LEU A 41 -12.925 -14.506 5.544 1.00 0.00 C ATOM 582 CD1 LEU A 41 -13.101 -14.515 4.032 1.00 0.00 C ATOM 583 CD2 LEU A 41 -12.221 -15.772 6.009 1.00 0.00 C ATOM 0 H LEU A 41 -14.636 -12.741 5.589 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.754 -12.291 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.703 -12.801 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.320 -13.585 6.626 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.913 -14.473 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.659 -15.404 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.648 -13.624 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.122 -14.524 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.789 -16.644 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.220 -15.811 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.148 -15.769 7.097 1.00 0.00 H new ATOM 595 N ARG A 42 -13.299 -9.812 6.744 1.00 0.00 N ATOM 596 CA ARG A 42 -13.024 -8.432 6.364 1.00 0.00 C ATOM 597 C ARG A 42 -14.155 -7.502 6.798 1.00 0.00 C ATOM 598 O ARG A 42 -13.941 -6.307 7.005 1.00 0.00 O ATOM 599 CB ARG A 42 -12.823 -8.336 4.851 1.00 0.00 C ATOM 600 CG ARG A 42 -11.475 -7.759 4.454 1.00 0.00 C ATOM 601 CD ARG A 42 -11.473 -6.243 4.551 1.00 0.00 C ATOM 602 NE ARG A 42 -12.275 -5.627 3.499 1.00 0.00 N ATOM 603 CZ ARG A 42 -11.871 -5.510 2.238 1.00 0.00 C ATOM 604 NH1 ARG A 42 -10.680 -5.970 1.878 1.00 0.00 N ATOM 605 NH2 ARG A 42 -12.657 -4.937 1.337 1.00 0.00 N ATOM 0 H ARG A 42 -14.077 -9.925 7.394 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.112 -8.118 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.927 -9.330 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.613 -7.717 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.698 -8.168 5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.234 -8.061 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.859 -5.942 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.448 -5.877 4.487 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.197 -5.266 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.074 -6.413 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.370 -5.880 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.574 -4.585 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.344 -4.849 0.370 1.00 0.00 H new ATOM 619 N SER A 43 -15.357 -8.052 6.927 1.00 0.00 N ATOM 620 CA SER A 43 -16.516 -7.264 7.329 1.00 0.00 C ATOM 621 C SER A 43 -17.110 -7.777 8.639 1.00 0.00 C ATOM 622 O SER A 43 -18.252 -7.466 8.973 1.00 0.00 O ATOM 623 CB SER A 43 -17.579 -7.294 6.228 1.00 0.00 C ATOM 624 OG SER A 43 -18.782 -6.682 6.660 1.00 0.00 O ATOM 0 H SER A 43 -15.554 -9.039 6.759 1.00 0.00 H new ATOM 0 HA SER A 43 -16.185 -6.237 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.204 -6.780 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.777 -8.326 5.938 1.00 0.00 H new ATOM 0 HG SER A 43 -19.057 -7.070 7.517 1.00 0.00 H new ATOM 630 N LYS A 44 -16.333 -8.565 9.376 1.00 0.00 N ATOM 631 CA LYS A 44 -16.794 -9.118 10.645 1.00 0.00 C ATOM 632 C LYS A 44 -18.104 -9.880 10.455 1.00 0.00 C ATOM 633 O LYS A 44 -18.493 -10.185 9.328 1.00 0.00 O ATOM 634 CB LYS A 44 -16.975 -8.003 11.679 1.00 0.00 C ATOM 635 CG LYS A 44 -15.662 -7.452 12.215 1.00 0.00 C ATOM 636 CD LYS A 44 -14.983 -8.438 13.152 1.00 0.00 C ATOM 637 CE LYS A 44 -13.759 -9.073 12.510 1.00 0.00 C ATOM 638 NZ LYS A 44 -13.553 -10.472 12.973 1.00 0.00 N ATOM 0 H LYS A 44 -15.384 -8.834 9.117 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.039 -9.814 11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.544 -7.190 11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.567 -8.383 12.512 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.996 -7.222 11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.848 -6.516 12.743 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.689 -7.926 14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.691 -9.217 13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.871 -9.062 11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.876 -8.479 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.709 -10.869 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.421 -10.480 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.385 -11.045 12.726 1.00 0.00 H new ATOM 652 N LYS A 45 -18.781 -10.187 11.558 1.00 0.00 N ATOM 653 CA LYS A 45 -20.045 -10.914 11.501 1.00 0.00 C ATOM 654 C LYS A 45 -21.229 -9.972 11.704 1.00 0.00 C ATOM 655 O LYS A 45 -22.350 -10.273 11.297 1.00 0.00 O ATOM 656 CB LYS A 45 -20.071 -12.018 12.560 1.00 0.00 C ATOM 657 CG LYS A 45 -20.355 -13.402 11.995 1.00 0.00 C ATOM 658 CD LYS A 45 -21.672 -13.438 11.235 1.00 0.00 C ATOM 659 CE LYS A 45 -21.632 -14.437 10.089 1.00 0.00 C ATOM 660 NZ LYS A 45 -21.067 -15.749 10.512 1.00 0.00 N ATOM 0 H LYS A 45 -18.476 -9.944 12.500 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.129 -11.365 10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.111 -12.036 13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -20.829 -11.777 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.543 -13.698 11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.383 -14.128 12.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.480 -13.700 11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.894 -12.445 10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.640 -14.584 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.033 -14.030 9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.315 -16.476 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.032 -15.675 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.459 -16.013 11.438 1.00 0.00 H new ATOM 674 N THR A 46 -20.974 -8.833 12.340 1.00 0.00 N ATOM 675 CA THR A 46 -22.025 -7.854 12.599 1.00 0.00 C ATOM 676 C THR A 46 -21.794 -6.570 11.810 1.00 0.00 C ATOM 677 O THR A 46 -20.681 -6.289 11.364 1.00 0.00 O ATOM 678 CB THR A 46 -22.098 -7.529 14.092 1.00 0.00 C ATOM 679 OG1 THR A 46 -21.348 -6.366 14.389 1.00 0.00 O ATOM 680 CG2 THR A 46 -21.586 -8.644 14.978 1.00 0.00 C ATOM 0 H THR A 46 -20.052 -8.565 12.685 1.00 0.00 H new ATOM 0 HA THR A 46 -22.969 -8.294 12.277 1.00 0.00 H new ATOM 0 HB THR A 46 -23.158 -7.381 14.301 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.408 -6.174 15.348 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.667 -8.345 16.023 1.00 0.00 H new ATOM 0 HG22 THR A 46 -22.179 -9.543 14.811 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.542 -8.848 14.739 1.00 0.00 H new ATOM 688 N MET A 47 -22.859 -5.791 11.649 1.00 0.00 N ATOM 689 CA MET A 47 -22.788 -4.527 10.925 1.00 0.00 C ATOM 690 C MET A 47 -24.134 -3.807 10.971 1.00 0.00 C ATOM 691 O MET A 47 -25.014 -4.058 10.149 1.00 0.00 O ATOM 692 CB MET A 47 -22.360 -4.759 9.472 1.00 0.00 C ATOM 693 CG MET A 47 -23.277 -5.691 8.695 1.00 0.00 C ATOM 694 SD MET A 47 -23.107 -7.416 9.194 1.00 0.00 S ATOM 695 CE MET A 47 -24.646 -8.096 8.582 1.00 0.00 C ATOM 0 H MET A 47 -23.786 -6.015 12.012 1.00 0.00 H new ATOM 0 HA MET A 47 -22.040 -3.899 11.409 1.00 0.00 H new ATOM 0 HB2 MET A 47 -22.318 -3.798 8.959 1.00 0.00 H new ATOM 0 HB3 MET A 47 -21.350 -5.170 9.463 1.00 0.00 H new ATOM 0 HG2 MET A 47 -24.311 -5.377 8.837 1.00 0.00 H new ATOM 0 HG3 MET A 47 -23.060 -5.602 7.631 1.00 0.00 H new ATOM 0 HE1 MET A 47 -24.691 -9.160 8.814 1.00 0.00 H new ATOM 0 HE2 MET A 47 -25.484 -7.585 9.056 1.00 0.00 H new ATOM 0 HE3 MET A 47 -24.701 -7.958 7.502 1.00 0.00 H new ATOM 705 N LEU A 48 -24.289 -2.920 11.947 1.00 0.00 N ATOM 706 CA LEU A 48 -25.532 -2.174 12.106 1.00 0.00 C ATOM 707 C LEU A 48 -25.383 -0.739 11.612 1.00 0.00 C ATOM 708 O LEU A 48 -25.335 0.199 12.408 1.00 0.00 O ATOM 709 CB LEU A 48 -25.963 -2.179 13.575 1.00 0.00 C ATOM 710 CG LEU A 48 -26.882 -3.332 13.988 1.00 0.00 C ATOM 711 CD1 LEU A 48 -26.954 -4.387 12.893 1.00 0.00 C ATOM 712 CD2 LEU A 48 -26.402 -3.948 15.293 1.00 0.00 C ATOM 0 H LEU A 48 -23.572 -2.700 12.638 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.298 -2.662 11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -25.069 -2.209 14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.470 -1.238 13.790 1.00 0.00 H new ATOM 0 HG LEU A 48 -27.885 -2.933 14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.613 -5.196 13.210 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -27.344 -3.938 11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -25.957 -4.784 12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -27.065 -4.766 15.574 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -25.389 -4.329 15.164 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.408 -3.190 16.077 1.00 0.00 H new ATOM 724 N VAL A 49 -25.317 -0.572 10.294 1.00 0.00 N ATOM 725 CA VAL A 49 -25.180 0.752 9.697 1.00 0.00 C ATOM 726 C VAL A 49 -23.969 1.489 10.259 1.00 0.00 C ATOM 727 O VAL A 49 -23.397 1.086 11.272 1.00 0.00 O ATOM 728 CB VAL A 49 -26.438 1.613 9.928 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.933 2.197 8.614 1.00 0.00 C ATOM 730 CG2 VAL A 49 -27.532 0.796 10.596 1.00 0.00 C ATOM 0 H VAL A 49 -25.356 -1.337 9.620 1.00 0.00 H new ATOM 0 HA VAL A 49 -25.046 0.597 8.626 1.00 0.00 H new ATOM 0 HB VAL A 49 -26.173 2.436 10.592 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -27.821 2.802 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.153 2.820 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -27.180 1.388 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -28.411 1.422 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -27.795 -0.049 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -27.175 0.428 11.558 1.00 0.00 H new ATOM 740 N GLN A 50 -23.585 2.575 9.594 1.00 0.00 N ATOM 741 CA GLN A 50 -22.445 3.374 10.025 1.00 0.00 C ATOM 742 C GLN A 50 -22.377 4.682 9.245 1.00 0.00 C ATOM 743 O GLN A 50 -22.646 4.714 8.044 1.00 0.00 O ATOM 744 CB GLN A 50 -21.143 2.590 9.843 1.00 0.00 C ATOM 745 CG GLN A 50 -19.911 3.341 10.318 1.00 0.00 C ATOM 746 CD GLN A 50 -19.002 2.486 11.179 1.00 0.00 C ATOM 747 OE1 GLN A 50 -19.091 2.508 12.406 1.00 0.00 O ATOM 748 NE2 GLN A 50 -18.121 1.728 10.537 1.00 0.00 N ATOM 0 H GLN A 50 -24.048 2.921 8.754 1.00 0.00 H new ATOM 0 HA GLN A 50 -22.574 3.605 11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -21.216 1.648 10.387 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.023 2.341 8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -19.353 3.700 9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.221 4.219 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.083 1.742 9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.482 1.132 11.063 1.00 0.00 H new ATOM 757 N LYS A 51 -22.021 5.760 9.936 1.00 0.00 N ATOM 758 CA LYS A 51 -21.925 7.071 9.306 1.00 0.00 C ATOM 759 C LYS A 51 -20.877 7.074 8.201 1.00 0.00 C ATOM 760 O LYS A 51 -19.759 6.593 8.388 1.00 0.00 O ATOM 761 CB LYS A 51 -21.584 8.141 10.343 1.00 0.00 C ATOM 762 CG LYS A 51 -22.680 9.176 10.529 1.00 0.00 C ATOM 763 CD LYS A 51 -23.083 9.807 9.205 1.00 0.00 C ATOM 764 CE LYS A 51 -22.151 10.946 8.824 1.00 0.00 C ATOM 765 NZ LYS A 51 -21.905 11.870 9.965 1.00 0.00 N ATOM 0 H LYS A 51 -21.795 5.751 10.931 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.895 7.298 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.385 7.658 11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.665 8.646 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.550 8.707 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.337 9.952 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.072 9.049 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.105 10.179 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.202 10.537 8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.581 11.504 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.564 12.784 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.790 12.014 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.189 11.458 10.597 1.00 0.00 H new ATOM 779 N ASN A 52 -21.245 7.627 7.052 1.00 0.00 N ATOM 780 CA ASN A 52 -20.335 7.702 5.916 1.00 0.00 C ATOM 781 C ASN A 52 -19.985 6.311 5.401 1.00 0.00 C ATOM 782 O ASN A 52 -19.236 5.571 6.039 1.00 0.00 O ATOM 783 CB ASN A 52 -19.060 8.450 6.308 1.00 0.00 C ATOM 784 CG ASN A 52 -19.210 9.954 6.182 1.00 0.00 C ATOM 785 OD1 ASN A 52 -18.876 10.703 7.101 1.00 0.00 O ATOM 786 ND2 ASN A 52 -19.714 10.404 5.039 1.00 0.00 N ATOM 0 H ASN A 52 -22.167 8.030 6.882 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.838 8.246 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.796 8.199 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.237 8.116 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.838 11.406 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.977 9.747 4.304 1.00 0.00 H new ATOM 793 N VAL A 53 -20.530 5.964 4.239 1.00 0.00 N ATOM 794 CA VAL A 53 -20.273 4.663 3.632 1.00 0.00 C ATOM 795 C VAL A 53 -20.106 4.780 2.124 1.00 0.00 C ATOM 796 O VAL A 53 -20.641 5.697 1.498 1.00 0.00 O ATOM 797 CB VAL A 53 -21.410 3.668 3.923 1.00 0.00 C ATOM 798 CG1 VAL A 53 -21.052 2.285 3.401 1.00 0.00 C ATOM 799 CG2 VAL A 53 -21.715 3.626 5.412 1.00 0.00 C ATOM 0 H VAL A 53 -21.152 6.566 3.699 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.348 4.293 4.075 1.00 0.00 H new ATOM 0 HB VAL A 53 -22.308 4.005 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.867 1.593 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -20.890 2.333 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.142 1.936 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -22.522 2.917 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.824 3.314 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -22.018 4.617 5.749 1.00 0.00 H new ATOM 809 N THR A 54 -19.365 3.842 1.546 1.00 0.00 N ATOM 810 CA THR A 54 -19.128 3.831 0.108 1.00 0.00 C ATOM 811 C THR A 54 -17.953 4.735 -0.255 1.00 0.00 C ATOM 812 O THR A 54 -18.045 5.960 -0.166 1.00 0.00 O ATOM 813 CB THR A 54 -20.397 4.258 -0.640 1.00 0.00 C ATOM 814 OG1 THR A 54 -20.685 3.356 -1.694 1.00 0.00 O ATOM 815 CG2 THR A 54 -20.314 5.646 -1.240 1.00 0.00 C ATOM 0 H THR A 54 -18.917 3.078 2.052 1.00 0.00 H new ATOM 0 HA THR A 54 -18.873 2.815 -0.194 1.00 0.00 H new ATOM 0 HB THR A 54 -21.183 4.256 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 54 -21.499 3.644 -2.158 1.00 0.00 H new ATOM 0 HG21 THR A 54 -21.248 5.877 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 -20.145 6.375 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 54 -19.490 5.686 -1.952 1.00 0.00 H new ATOM 823 N SER A 55 -16.849 4.119 -0.663 1.00 0.00 N ATOM 824 CA SER A 55 -15.652 4.862 -1.041 1.00 0.00 C ATOM 825 C SER A 55 -15.235 4.516 -2.467 1.00 0.00 C ATOM 826 O SER A 55 -14.509 3.549 -2.695 1.00 0.00 O ATOM 827 CB SER A 55 -14.510 4.558 -0.071 1.00 0.00 C ATOM 828 OG SER A 55 -14.479 3.182 0.266 1.00 0.00 O ATOM 0 H SER A 55 -16.758 3.106 -0.741 1.00 0.00 H new ATOM 0 HA SER A 55 -15.879 5.927 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.560 4.847 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.629 5.154 0.834 1.00 0.00 H new ATOM 0 HG SER A 55 -14.476 2.645 -0.553 1.00 0.00 H new ATOM 834 N GLU A 56 -15.709 5.313 -3.421 1.00 0.00 N ATOM 835 CA GLU A 56 -15.400 5.101 -4.832 1.00 0.00 C ATOM 836 C GLU A 56 -14.040 4.431 -5.013 1.00 0.00 C ATOM 837 O GLU A 56 -13.930 3.206 -4.938 1.00 0.00 O ATOM 838 CB GLU A 56 -15.443 6.432 -5.587 1.00 0.00 C ATOM 839 CG GLU A 56 -15.250 6.295 -7.090 1.00 0.00 C ATOM 840 CD GLU A 56 -15.267 4.852 -7.559 1.00 0.00 C ATOM 841 OE1 GLU A 56 -16.369 4.322 -7.815 1.00 0.00 O ATOM 842 OE2 GLU A 56 -14.176 4.253 -7.672 1.00 0.00 O ATOM 0 H GLU A 56 -16.312 6.116 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.156 4.432 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.401 6.916 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.669 7.089 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.036 6.848 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.302 6.752 -7.373 1.00 0.00 H new ATOM 849 N SER A 57 -13.005 5.232 -5.255 1.00 0.00 N ATOM 850 CA SER A 57 -11.659 4.703 -5.449 1.00 0.00 C ATOM 851 C SER A 57 -10.689 5.286 -4.425 1.00 0.00 C ATOM 852 O SER A 57 -10.638 6.500 -4.223 1.00 0.00 O ATOM 853 CB SER A 57 -11.169 5.002 -6.867 1.00 0.00 C ATOM 854 OG SER A 57 -9.766 5.204 -6.890 1.00 0.00 O ATOM 0 H SER A 57 -13.073 6.248 -5.321 1.00 0.00 H new ATOM 0 HA SER A 57 -11.697 3.623 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.431 4.176 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.674 5.889 -7.250 1.00 0.00 H new ATOM 0 HG SER A 57 -9.478 5.392 -7.808 1.00 0.00 H new ATOM 860 N THR A 58 -9.924 4.411 -3.783 1.00 0.00 N ATOM 861 CA THR A 58 -8.955 4.834 -2.777 1.00 0.00 C ATOM 862 C THR A 58 -7.532 4.740 -3.313 1.00 0.00 C ATOM 863 O THR A 58 -7.315 4.409 -4.478 1.00 0.00 O ATOM 864 CB THR A 58 -9.094 3.976 -1.519 1.00 0.00 C ATOM 865 OG1 THR A 58 -8.990 2.600 -1.836 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.406 4.183 -0.794 1.00 0.00 C ATOM 0 H THR A 58 -9.955 3.404 -3.941 1.00 0.00 H new ATOM 0 HA THR A 58 -9.159 5.875 -2.528 1.00 0.00 H new ATOM 0 HB THR A 58 -8.283 4.292 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.045 2.353 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.439 3.544 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.493 5.226 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.232 3.928 -1.457 1.00 0.00 H new ATOM 874 N CYS A 59 -6.567 5.038 -2.450 1.00 0.00 N ATOM 875 CA CYS A 59 -5.158 4.993 -2.821 1.00 0.00 C ATOM 876 C CYS A 59 -4.287 4.839 -1.580 1.00 0.00 C ATOM 877 O CYS A 59 -4.396 5.617 -0.633 1.00 0.00 O ATOM 878 CB CYS A 59 -4.767 6.263 -3.577 1.00 0.00 C ATOM 879 SG CYS A 59 -5.909 7.654 -3.314 1.00 0.00 S ATOM 0 H CYS A 59 -6.737 5.315 -1.483 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.000 4.132 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.766 6.564 -3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.720 6.040 -4.643 1.00 0.00 H new ATOM 884 N CYS A 60 -3.431 3.826 -1.586 1.00 0.00 N ATOM 885 CA CYS A 60 -2.551 3.567 -0.453 1.00 0.00 C ATOM 886 C CYS A 60 -1.387 4.553 -0.409 1.00 0.00 C ATOM 887 O CYS A 60 -0.428 4.432 -1.171 1.00 0.00 O ATOM 888 CB CYS A 60 -2.016 2.136 -0.517 1.00 0.00 C ATOM 889 SG CYS A 60 -3.092 0.978 -1.424 1.00 0.00 S ATOM 0 H CYS A 60 -3.327 3.171 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.137 3.696 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.034 2.148 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.877 1.766 0.499 1.00 0.00 H new ATOM 894 N VAL A 61 -1.471 5.519 0.502 1.00 0.00 N ATOM 895 CA VAL A 61 -0.416 6.514 0.661 1.00 0.00 C ATOM 896 C VAL A 61 0.444 6.185 1.876 1.00 0.00 C ATOM 897 O VAL A 61 0.346 6.836 2.917 1.00 0.00 O ATOM 898 CB VAL A 61 -0.991 7.934 0.812 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.123 8.969 0.743 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.042 8.200 -0.256 1.00 0.00 C ATOM 0 H VAL A 61 -2.258 5.633 1.140 1.00 0.00 H new ATOM 0 HA VAL A 61 0.195 6.486 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.470 8.012 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.301 9.967 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.837 8.789 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.631 8.893 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.438 9.208 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.590 8.105 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.852 7.478 -0.157 1.00 0.00 H new ATOM 910 N ALA A 62 1.276 5.156 1.730 1.00 0.00 N ATOM 911 CA ALA A 62 2.161 4.695 2.800 1.00 0.00 C ATOM 912 C ALA A 62 1.812 5.291 4.161 1.00 0.00 C ATOM 913 O ALA A 62 2.217 6.409 4.481 1.00 0.00 O ATOM 914 CB ALA A 62 3.614 4.998 2.467 1.00 0.00 C ATOM 0 H ALA A 62 1.356 4.618 0.867 1.00 0.00 H new ATOM 0 HA ALA A 62 2.016 3.617 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.254 4.647 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.888 4.492 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.742 6.073 2.344 1.00 0.00 H new ATOM 920 N LYS A 63 1.104 4.516 4.979 1.00 0.00 N ATOM 921 CA LYS A 63 0.757 4.944 6.324 1.00 0.00 C ATOM 922 C LYS A 63 2.017 5.430 7.009 1.00 0.00 C ATOM 923 O LYS A 63 2.009 6.380 7.792 1.00 0.00 O ATOM 924 CB LYS A 63 0.174 3.772 7.107 1.00 0.00 C ATOM 925 CG LYS A 63 -0.291 4.142 8.505 1.00 0.00 C ATOM 926 CD LYS A 63 0.057 3.058 9.511 1.00 0.00 C ATOM 927 CE LYS A 63 -1.190 2.363 10.031 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.220 2.312 11.519 1.00 0.00 N ATOM 0 H LYS A 63 0.761 3.588 4.730 1.00 0.00 H new ATOM 0 HA LYS A 63 0.016 5.742 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.668 3.358 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.925 2.986 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.171 5.082 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.369 4.304 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.716 2.325 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.606 3.496 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.075 2.886 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.233 1.349 9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.087 1.830 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.389 1.791 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.205 3.280 11.900 1.00 0.00 H new ATOM 942 N SER A 64 3.103 4.753 6.671 1.00 0.00 N ATOM 943 CA SER A 64 4.420 5.061 7.194 1.00 0.00 C ATOM 944 C SER A 64 5.422 5.014 6.058 1.00 0.00 C ATOM 945 O SER A 64 5.044 4.847 4.899 1.00 0.00 O ATOM 946 CB SER A 64 4.810 4.069 8.291 1.00 0.00 C ATOM 947 OG SER A 64 4.112 4.339 9.495 1.00 0.00 O ATOM 0 H SER A 64 3.093 3.968 6.020 1.00 0.00 H new ATOM 0 HA SER A 64 4.411 6.058 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.593 3.053 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.884 4.123 8.470 1.00 0.00 H new ATOM 0 HG SER A 64 4.378 3.690 10.180 1.00 0.00 H new ATOM 953 N TYR A 65 6.692 5.169 6.377 1.00 0.00 N ATOM 954 CA TYR A 65 7.715 5.147 5.345 1.00 0.00 C ATOM 955 C TYR A 65 9.102 4.953 5.915 1.00 0.00 C ATOM 956 O TYR A 65 9.353 5.200 7.095 1.00 0.00 O ATOM 957 CB TYR A 65 7.713 6.466 4.579 1.00 0.00 C ATOM 958 CG TYR A 65 7.495 7.675 5.461 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.447 8.052 6.399 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.340 8.441 5.353 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.254 9.155 7.209 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.141 9.547 6.157 1.00 0.00 C ATOM 963 CZ TYR A 65 7.099 9.900 7.083 1.00 0.00 C ATOM 964 OH TYR A 65 6.903 10.999 7.888 1.00 0.00 O ATOM 0 H TYR A 65 7.039 5.310 7.326 1.00 0.00 H new ATOM 0 HA TYR A 65 7.478 4.307 4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.663 6.575 4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.932 6.435 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.354 7.473 6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.586 8.167 4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.003 9.432 7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.239 10.132 6.060 1.00 0.00 H new ATOM 0 HH TYR A 65 6.041 11.413 7.672 1.00 0.00 H new ATOM 974 N ASN A 66 10.016 4.575 5.037 1.00 0.00 N ATOM 975 CA ASN A 66 11.412 4.420 5.413 1.00 0.00 C ATOM 976 C ASN A 66 12.248 5.071 4.338 1.00 0.00 C ATOM 977 O ASN A 66 13.382 4.687 4.054 1.00 0.00 O ATOM 978 CB ASN A 66 11.790 2.960 5.596 1.00 0.00 C ATOM 979 CG ASN A 66 12.229 2.647 7.011 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.430 2.693 7.947 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.507 2.325 7.173 1.00 0.00 N ATOM 0 H ASN A 66 9.817 4.370 4.058 1.00 0.00 H new ATOM 0 HA ASN A 66 11.590 4.899 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.938 2.332 5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.594 2.707 4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.863 2.103 8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.133 2.300 6.368 1.00 0.00 H new ATOM 988 N ARG A 67 11.618 6.064 3.756 1.00 0.00 N ATOM 989 CA ARG A 67 12.174 6.868 2.678 1.00 0.00 C ATOM 990 C ARG A 67 13.661 6.609 2.469 1.00 0.00 C ATOM 991 O ARG A 67 14.457 6.640 3.407 1.00 0.00 O ATOM 992 CB ARG A 67 11.925 8.345 2.969 1.00 0.00 C ATOM 993 CG ARG A 67 12.063 8.686 4.435 1.00 0.00 C ATOM 994 CD ARG A 67 12.020 10.188 4.669 1.00 0.00 C ATOM 995 NE ARG A 67 11.225 10.536 5.843 1.00 0.00 N ATOM 996 CZ ARG A 67 11.712 10.556 7.079 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.991 10.278 7.292 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.923 10.858 8.102 1.00 0.00 N ATOM 0 H ARG A 67 10.676 6.348 4.023 1.00 0.00 H new ATOM 0 HA ARG A 67 11.673 6.582 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.628 8.947 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.924 8.613 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.261 8.207 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.003 8.285 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.035 10.565 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.603 10.680 3.790 1.00 0.00 H new ATOM 0 HE ARG A 67 10.243 10.777 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.601 10.049 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.365 10.293 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.940 11.076 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.300 10.873 9.050 1.00 0.00 H new ATOM 1012 N VAL A 68 14.014 6.362 1.215 1.00 0.00 N ATOM 1013 CA VAL A 68 15.396 6.104 0.826 1.00 0.00 C ATOM 1014 C VAL A 68 15.738 6.883 -0.430 1.00 0.00 C ATOM 1015 O VAL A 68 16.439 6.397 -1.314 1.00 0.00 O ATOM 1016 CB VAL A 68 15.651 4.601 0.577 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.978 3.754 1.646 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.172 4.183 -0.812 1.00 0.00 C ATOM 0 H VAL A 68 13.353 6.335 0.439 1.00 0.00 H new ATOM 0 HA VAL A 68 16.032 6.427 1.651 1.00 0.00 H new ATOM 0 HB VAL A 68 16.727 4.435 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.171 2.699 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.376 4.020 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.903 3.935 1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.365 3.120 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.102 4.374 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.707 4.757 -1.569 1.00 0.00 H new ATOM 1028 N THR A 69 15.213 8.092 -0.488 1.00 0.00 N ATOM 1029 CA THR A 69 15.409 8.984 -1.627 1.00 0.00 C ATOM 1030 C THR A 69 16.364 8.400 -2.663 1.00 0.00 C ATOM 1031 O THR A 69 17.534 8.143 -2.378 1.00 0.00 O ATOM 1032 CB THR A 69 15.928 10.346 -1.178 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.932 11.056 -0.461 1.00 0.00 O ATOM 1034 CG2 THR A 69 16.368 11.207 -2.343 1.00 0.00 C ATOM 0 H THR A 69 14.636 8.489 0.253 1.00 0.00 H new ATOM 0 HA THR A 69 14.430 9.103 -2.092 1.00 0.00 H new ATOM 0 HB THR A 69 16.788 10.144 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.287 11.926 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.729 12.166 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.168 10.704 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.524 11.372 -3.013 1.00 0.00 H new ATOM 1042 N VAL A 70 15.849 8.211 -3.871 1.00 0.00 N ATOM 1043 CA VAL A 70 16.639 7.678 -4.976 1.00 0.00 C ATOM 1044 C VAL A 70 16.883 8.723 -6.040 1.00 0.00 C ATOM 1045 O VAL A 70 16.762 9.927 -5.807 1.00 0.00 O ATOM 1046 CB VAL A 70 15.955 6.484 -5.660 1.00 0.00 C ATOM 1047 CG1 VAL A 70 16.910 5.304 -5.776 1.00 0.00 C ATOM 1048 CG2 VAL A 70 14.684 6.091 -4.923 1.00 0.00 C ATOM 0 H VAL A 70 14.880 8.420 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 70 17.580 7.359 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 70 15.675 6.787 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.402 4.472 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 70 17.778 5.595 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 70 17.234 4.999 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.219 5.244 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.929 5.814 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.992 6.933 -4.916 1.00 0.00 H new ATOM 1058 N MET A 71 17.237 8.232 -7.212 1.00 0.00 N ATOM 1059 CA MET A 71 17.520 9.077 -8.353 1.00 0.00 C ATOM 1060 C MET A 71 16.700 10.357 -8.328 1.00 0.00 C ATOM 1061 O MET A 71 15.615 10.404 -7.748 1.00 0.00 O ATOM 1062 CB MET A 71 17.269 8.320 -9.651 1.00 0.00 C ATOM 1063 CG MET A 71 18.487 7.557 -10.131 1.00 0.00 C ATOM 1064 SD MET A 71 18.390 7.110 -11.875 1.00 0.00 S ATOM 1065 CE MET A 71 20.085 7.390 -12.383 1.00 0.00 C ATOM 0 H MET A 71 17.336 7.234 -7.399 1.00 0.00 H new ATOM 0 HA MET A 71 18.572 9.356 -8.297 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.443 7.623 -9.506 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.960 9.024 -10.423 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.378 8.163 -9.965 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.601 6.652 -9.535 1.00 0.00 H new ATOM 0 HE1 MET A 71 20.190 7.158 -13.443 1.00 0.00 H new ATOM 0 HE2 MET A 71 20.348 8.434 -12.213 1.00 0.00 H new ATOM 0 HE3 MET A 71 20.749 6.749 -11.803 1.00 0.00 H new ATOM 1075 N GLY A 72 17.231 11.396 -8.960 1.00 0.00 N ATOM 1076 CA GLY A 72 16.540 12.666 -8.992 1.00 0.00 C ATOM 1077 C GLY A 72 15.936 13.004 -7.647 1.00 0.00 C ATOM 1078 O GLY A 72 14.952 13.739 -7.563 1.00 0.00 O ATOM 0 H GLY A 72 18.126 11.380 -9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.235 13.452 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.754 12.635 -9.747 1.00 0.00 H new ATOM 1082 N GLY A 73 16.529 12.455 -6.592 1.00 0.00 N ATOM 1083 CA GLY A 73 16.037 12.698 -5.252 1.00 0.00 C ATOM 1084 C GLY A 73 14.692 12.045 -5.011 1.00 0.00 C ATOM 1085 O GLY A 73 13.882 12.547 -4.233 1.00 0.00 O ATOM 0 H GLY A 73 17.344 11.844 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.758 12.320 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.953 13.772 -5.087 1.00 0.00 H new ATOM 1089 N PHE A 74 14.457 10.921 -5.679 1.00 0.00 N ATOM 1090 CA PHE A 74 13.203 10.195 -5.529 1.00 0.00 C ATOM 1091 C PHE A 74 12.845 10.057 -4.057 1.00 0.00 C ATOM 1092 O PHE A 74 13.580 10.520 -3.188 1.00 0.00 O ATOM 1093 CB PHE A 74 13.310 8.815 -6.181 1.00 0.00 C ATOM 1094 CG PHE A 74 13.219 8.853 -7.682 1.00 0.00 C ATOM 1095 CD1 PHE A 74 12.484 9.839 -8.320 1.00 0.00 C ATOM 1096 CD2 PHE A 74 13.869 7.903 -8.453 1.00 0.00 C ATOM 1097 CE1 PHE A 74 12.399 9.878 -9.700 1.00 0.00 C ATOM 1098 CE2 PHE A 74 13.788 7.938 -9.834 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.053 8.926 -10.457 1.00 0.00 C ATOM 0 H PHE A 74 15.118 10.494 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 74 12.413 10.757 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.257 8.358 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.517 8.176 -5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.971 10.586 -7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.445 7.127 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.822 10.652 -10.185 1.00 0.00 H new ATOM 0 HE2 PHE A 74 14.300 7.192 -10.424 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.989 8.955 -11.535 1.00 0.00 H new ATOM 1109 N LYS A 75 11.713 9.424 -3.777 1.00 0.00 N ATOM 1110 CA LYS A 75 11.278 9.240 -2.402 1.00 0.00 C ATOM 1111 C LYS A 75 10.236 8.134 -2.291 1.00 0.00 C ATOM 1112 O LYS A 75 9.036 8.373 -2.433 1.00 0.00 O ATOM 1113 CB LYS A 75 10.730 10.555 -1.841 1.00 0.00 C ATOM 1114 CG LYS A 75 11.782 11.653 -1.761 1.00 0.00 C ATOM 1115 CD LYS A 75 11.254 12.910 -1.083 1.00 0.00 C ATOM 1116 CE LYS A 75 10.051 12.621 -0.200 1.00 0.00 C ATOM 1117 NZ LYS A 75 9.452 13.868 0.353 1.00 0.00 N ATOM 0 H LYS A 75 11.085 9.033 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 75 12.143 8.938 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.905 10.895 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.322 10.377 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.649 11.284 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.123 11.901 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.046 13.357 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.979 13.642 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.299 12.082 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.351 11.969 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.635 13.626 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.161 14.370 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.141 14.480 -0.428 1.00 0.00 H new ATOM 1131 N VAL A 76 10.711 6.922 -2.019 1.00 0.00 N ATOM 1132 CA VAL A 76 9.839 5.761 -1.862 1.00 0.00 C ATOM 1133 C VAL A 76 9.349 5.682 -0.461 1.00 0.00 C ATOM 1134 O VAL A 76 8.773 4.678 -0.043 1.00 0.00 O ATOM 1135 CB VAL A 76 10.602 4.453 -2.150 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.043 4.429 -3.600 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.801 4.403 -1.215 1.00 0.00 C ATOM 0 H VAL A 76 11.703 6.717 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 76 9.013 5.877 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 76 9.967 3.583 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.582 3.503 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.168 4.487 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.696 5.279 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.364 3.487 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.442 5.265 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.457 4.422 -0.181 1.00 0.00 H new ATOM 1147 N GLU A 77 9.629 6.732 0.269 1.00 0.00 N ATOM 1148 CA GLU A 77 9.271 6.773 1.671 1.00 0.00 C ATOM 1149 C GLU A 77 9.303 5.339 2.143 1.00 0.00 C ATOM 1150 O GLU A 77 8.419 4.871 2.855 1.00 0.00 O ATOM 1151 CB GLU A 77 7.885 7.388 1.853 1.00 0.00 C ATOM 1152 CG GLU A 77 7.875 8.599 2.765 1.00 0.00 C ATOM 1153 CD GLU A 77 8.261 9.872 2.042 1.00 0.00 C ATOM 1154 OE1 GLU A 77 9.063 9.793 1.087 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.760 10.950 2.429 1.00 0.00 O ATOM 0 H GLU A 77 10.101 7.567 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 77 9.958 7.392 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.493 7.675 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.212 6.633 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.881 8.717 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.564 8.432 3.593 1.00 0.00 H new ATOM 1162 N ASN A 78 10.320 4.639 1.628 1.00 0.00 N ATOM 1163 CA ASN A 78 10.492 3.218 1.846 1.00 0.00 C ATOM 1164 C ASN A 78 9.314 2.711 2.632 1.00 0.00 C ATOM 1165 O ASN A 78 9.424 2.268 3.776 1.00 0.00 O ATOM 1166 CB ASN A 78 11.803 2.859 2.514 1.00 0.00 C ATOM 1167 CG ASN A 78 12.024 1.377 2.383 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.842 0.812 1.304 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.417 0.731 3.459 1.00 0.00 N ATOM 0 H ASN A 78 11.046 5.056 1.046 1.00 0.00 H new ATOM 0 HA ASN A 78 10.536 2.730 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.625 3.405 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.782 3.146 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.557 1.236 4.334 1.00 0.00 H new ATOM 1174 N HIS A 79 8.176 2.858 1.994 1.00 0.00 N ATOM 1175 CA HIS A 79 6.901 2.512 2.566 1.00 0.00 C ATOM 1176 C HIS A 79 6.963 1.350 3.530 1.00 0.00 C ATOM 1177 O HIS A 79 7.365 0.241 3.203 1.00 0.00 O ATOM 1178 CB HIS A 79 5.877 2.295 1.465 1.00 0.00 C ATOM 1179 CG HIS A 79 5.693 3.552 0.693 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.808 3.739 -0.340 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.345 4.718 0.848 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.953 4.997 -0.779 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.877 5.637 -0.088 1.00 0.00 N ATOM 0 H HIS A 79 8.112 3.228 1.046 1.00 0.00 H new ATOM 0 HA HIS A 79 6.583 3.358 3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.207 1.495 0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.927 1.980 1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.112 4.912 1.583 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.388 5.430 -1.591 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.184 6.602 -0.213 1.00 0.00 H new ATOM 1191 N THR A 80 6.549 1.641 4.736 1.00 0.00 N ATOM 1192 CA THR A 80 6.525 0.648 5.791 1.00 0.00 C ATOM 1193 C THR A 80 5.085 0.241 6.096 1.00 0.00 C ATOM 1194 O THR A 80 4.836 -0.741 6.794 1.00 0.00 O ATOM 1195 CB THR A 80 7.239 1.198 7.022 1.00 0.00 C ATOM 1196 OG1 THR A 80 6.403 2.089 7.739 1.00 0.00 O ATOM 1197 CG2 THR A 80 8.509 1.938 6.654 1.00 0.00 C ATOM 0 H THR A 80 6.220 2.564 5.018 1.00 0.00 H new ATOM 0 HA THR A 80 7.053 -0.250 5.470 1.00 0.00 H new ATOM 0 HB THR A 80 7.489 0.336 7.641 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.731 2.177 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.987 2.313 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.189 1.259 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.266 2.774 5.998 1.00 0.00 H new ATOM 1205 N ALA A 81 4.138 0.999 5.537 1.00 0.00 N ATOM 1206 CA ALA A 81 2.719 0.726 5.710 1.00 0.00 C ATOM 1207 C ALA A 81 1.903 1.607 4.772 1.00 0.00 C ATOM 1208 O ALA A 81 2.144 2.804 4.694 1.00 0.00 O ATOM 1209 CB ALA A 81 2.302 0.972 7.153 1.00 0.00 C ATOM 0 H ALA A 81 4.337 1.813 4.956 1.00 0.00 H new ATOM 0 HA ALA A 81 2.532 -0.320 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.238 0.763 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.872 0.318 7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.497 2.012 7.416 1.00 0.00 H new ATOM 1215 N CYS A 82 0.937 1.019 4.066 1.00 0.00 N ATOM 1216 CA CYS A 82 0.093 1.791 3.152 1.00 0.00 C ATOM 1217 C CYS A 82 -1.360 1.754 3.617 1.00 0.00 C ATOM 1218 O CYS A 82 -1.839 0.727 4.097 1.00 0.00 O ATOM 1219 CB CYS A 82 0.172 1.261 1.716 1.00 0.00 C ATOM 1220 SG CYS A 82 1.601 0.191 1.371 1.00 0.00 S ATOM 0 H CYS A 82 0.720 0.023 4.107 1.00 0.00 H new ATOM 0 HA CYS A 82 0.463 2.816 3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -0.740 0.705 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.199 2.109 1.032 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.059 2.873 3.464 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.460 2.957 3.864 1.00 0.00 C ATOM 1227 C HIS A 83 -4.326 3.444 2.707 1.00 0.00 C ATOM 1228 O HIS A 83 -4.185 4.578 2.247 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.618 3.891 5.063 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.494 5.341 4.711 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -4.386 6.299 5.142 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -2.573 5.995 3.964 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -4.021 7.480 4.674 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -2.924 7.322 3.958 1.00 0.00 N ATOM 0 H HIS A 83 -1.680 3.733 3.067 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.790 1.958 4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.592 3.719 5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.865 3.641 5.810 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -5.201 6.124 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.722 5.555 3.466 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.533 8.415 4.848 1.00 0.00 H new ATOM 1243 N CYS A 84 -5.221 2.580 2.242 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.112 2.919 1.136 1.00 0.00 C ATOM 1245 C CYS A 84 -6.961 4.140 1.472 1.00 0.00 C ATOM 1246 O CYS A 84 -7.904 4.054 2.258 1.00 0.00 O ATOM 1247 CB CYS A 84 -7.018 1.731 0.800 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.165 0.344 -0.021 1.00 0.00 S ATOM 0 H CYS A 84 -5.350 1.639 2.613 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.496 3.156 0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.476 1.367 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.827 2.077 0.156 1.00 0.00 H new ATOM 1253 N SER A 85 -6.623 5.276 0.870 1.00 0.00 N ATOM 1254 CA SER A 85 -7.361 6.512 1.109 1.00 0.00 C ATOM 1255 C SER A 85 -7.445 7.356 -0.158 1.00 0.00 C ATOM 1256 O SER A 85 -6.433 7.829 -0.669 1.00 0.00 O ATOM 1257 CB SER A 85 -6.704 7.318 2.232 1.00 0.00 C ATOM 1258 OG SER A 85 -7.667 8.058 2.962 1.00 0.00 O ATOM 0 H SER A 85 -5.846 5.367 0.216 1.00 0.00 H new ATOM 0 HA SER A 85 -8.374 6.244 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.173 6.644 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.963 7.997 1.810 1.00 0.00 H new ATOM 0 HG SER A 85 -7.221 8.562 3.674 1.00 0.00 H new ATOM 1264 N THR A 86 -8.666 7.536 -0.652 1.00 0.00 N ATOM 1265 CA THR A 86 -8.908 8.322 -1.857 1.00 0.00 C ATOM 1266 C THR A 86 -7.881 9.439 -2.007 1.00 0.00 C ATOM 1267 O THR A 86 -7.320 9.920 -1.023 1.00 0.00 O ATOM 1268 CB THR A 86 -10.315 8.919 -1.816 1.00 0.00 C ATOM 1269 OG1 THR A 86 -10.426 10.003 -2.722 1.00 0.00 O ATOM 1270 CG2 THR A 86 -10.704 9.424 -0.445 1.00 0.00 C ATOM 0 H THR A 86 -9.509 7.145 -0.232 1.00 0.00 H new ATOM 0 HA THR A 86 -8.816 7.657 -2.716 1.00 0.00 H new ATOM 0 HB THR A 86 -10.986 8.106 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.334 10.371 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.713 9.836 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.674 8.600 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.006 10.201 -0.132 1.00 0.00 H new ATOM 1278 N CYS A 87 -7.645 9.850 -3.250 1.00 0.00 N ATOM 1279 CA CYS A 87 -6.691 10.914 -3.536 1.00 0.00 C ATOM 1280 C CYS A 87 -7.399 12.129 -4.126 1.00 0.00 C ATOM 1281 O CYS A 87 -6.949 12.706 -5.115 1.00 0.00 O ATOM 1282 CB CYS A 87 -5.607 10.424 -4.503 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.814 8.698 -5.051 1.00 0.00 S ATOM 0 H CYS A 87 -8.102 9.461 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.220 11.203 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.598 11.072 -5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.634 10.526 -4.022 1.00 0.00 H new ATOM 1288 N TYR A 88 -8.511 12.515 -3.509 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.281 13.662 -3.972 1.00 0.00 C ATOM 1290 C TYR A 88 -9.359 14.733 -2.890 1.00 0.00 C ATOM 1291 O TYR A 88 -10.441 15.061 -2.404 1.00 0.00 O ATOM 1292 CB TYR A 88 -10.690 13.231 -4.380 1.00 0.00 C ATOM 1293 CG TYR A 88 -10.850 13.002 -5.865 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.743 12.917 -6.699 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -12.111 12.869 -6.431 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -9.889 12.708 -8.058 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -12.265 12.661 -7.788 1.00 0.00 C ATOM 1298 CZ TYR A 88 -11.151 12.581 -8.595 1.00 0.00 C ATOM 1299 OH TYR A 88 -11.301 12.372 -9.948 1.00 0.00 O ATOM 0 H TYR A 88 -8.898 12.050 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.773 14.081 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.947 12.314 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.400 13.994 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.753 13.016 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.986 12.929 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.019 12.645 -8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.253 12.562 -8.214 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.254 12.303 -10.165 1.00 0.00 H new ATOM 1309 N TYR A 89 -8.205 15.272 -2.518 1.00 0.00 N ATOM 1310 CA TYR A 89 -8.142 16.305 -1.494 1.00 0.00 C ATOM 1311 C TYR A 89 -9.177 16.048 -0.403 1.00 0.00 C ATOM 1312 O TYR A 89 -10.253 16.645 -0.401 1.00 0.00 O ATOM 1313 CB TYR A 89 -8.365 17.683 -2.117 1.00 0.00 C ATOM 1314 CG TYR A 89 -7.425 18.739 -1.587 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -6.051 18.618 -1.754 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -7.910 19.855 -0.918 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -5.187 19.580 -1.269 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -7.052 20.821 -0.431 1.00 0.00 C ATOM 1319 CZ TYR A 89 -5.692 20.678 -0.608 1.00 0.00 C ATOM 1320 OH TYR A 89 -4.836 21.639 -0.123 1.00 0.00 O ATOM 0 H TYR A 89 -7.301 15.011 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.151 16.278 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.244 17.609 -3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -9.393 17.996 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.652 17.758 -2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.975 19.969 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.121 19.472 -1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.444 21.684 0.086 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.353 22.347 0.315 1.00 0.00 H new ATOM 1330 N HIS A 90 -8.844 15.153 0.521 1.00 0.00 N ATOM 1331 CA HIS A 90 -9.746 14.814 1.616 1.00 0.00 C ATOM 1332 C HIS A 90 -8.963 14.442 2.872 1.00 0.00 C ATOM 1333 O HIS A 90 -7.986 13.695 2.809 1.00 0.00 O ATOM 1334 CB HIS A 90 -10.663 13.659 1.209 1.00 0.00 C ATOM 1335 CG HIS A 90 -12.013 13.714 1.854 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -13.003 14.588 1.457 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -12.535 12.999 2.879 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -14.075 14.409 2.209 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -13.817 13.450 3.078 1.00 0.00 N ATOM 0 H HIS A 90 -7.957 14.650 0.534 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.355 15.691 1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.786 13.667 0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.183 12.715 1.468 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.036 12.220 3.436 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.004 14.954 2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.465 13.100 3.784 1.00 0.00 H new ATOM 1348 N LYS A 91 -9.397 14.970 4.012 1.00 0.00 N ATOM 1349 CA LYS A 91 -8.737 14.694 5.282 1.00 0.00 C ATOM 1350 C LYS A 91 -9.693 14.006 6.252 1.00 0.00 C ATOM 1351 O LYS A 91 -10.553 14.651 6.852 1.00 0.00 O ATOM 1352 CB LYS A 91 -8.215 15.992 5.902 1.00 0.00 C ATOM 1353 CG LYS A 91 -7.210 15.770 7.022 1.00 0.00 C ATOM 1354 CD LYS A 91 -6.010 16.694 6.886 1.00 0.00 C ATOM 1355 CE LYS A 91 -4.893 16.041 6.090 1.00 0.00 C ATOM 1356 NZ LYS A 91 -3.577 16.696 6.337 1.00 0.00 N ATOM 0 H LYS A 91 -10.203 15.591 4.082 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.897 14.027 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.751 16.596 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.058 16.565 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.693 15.939 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.875 14.733 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.315 17.619 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.643 16.964 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.828 14.985 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.129 16.090 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.842 16.221 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.630 17.697 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.339 16.627 7.347 1.00 0.00 H new ATOM 1370 N SER A 92 -9.538 12.695 6.402 1.00 0.00 N ATOM 1371 CA SER A 92 -10.390 11.924 7.301 1.00 0.00 C ATOM 1372 C SER A 92 -9.561 11.257 8.394 1.00 0.00 C ATOM 1373 O SER A 92 -8.931 11.987 9.187 1.00 0.00 O ATOM 1374 CB SER A 92 -11.177 10.868 6.521 1.00 0.00 C ATOM 1375 OG SER A 92 -12.569 10.990 6.758 1.00 0.00 O ATOM 1376 OXT SER A 92 -9.550 10.009 8.449 1.00 0.00 O ATOM 0 H SER A 92 -8.832 12.144 5.914 1.00 0.00 H new ATOM 0 HA SER A 92 -11.094 12.611 7.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.976 10.974 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.842 9.872 6.811 1.00 0.00 H new ATOM 0 HG SER A 92 -13.049 10.305 6.247 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.496 -0.703 3.418 1.00 0.00 C HETATM 1384 C2 NAG A 178 13.901 -1.172 3.745 1.00 0.00 C HETATM 1385 C3 NAG A 178 13.956 -2.685 3.695 1.00 0.00 C HETATM 1386 C4 NAG A 178 12.893 -3.284 4.598 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.525 -2.678 4.308 1.00 0.00 C HETATM 1388 C6 NAG A 178 10.476 -3.110 5.312 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.820 0.179 3.205 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.777 0.718 2.154 1.00 0.00 C HETATM 1391 N2 NAG A 178 14.839 -0.619 2.789 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.237 -3.121 4.127 1.00 0.00 O HETATM 1393 O4 NAG A 178 12.824 -4.702 4.360 1.00 0.00 O HETATM 1394 O5 NAG A 178 11.566 -1.246 4.356 1.00 0.00 O HETATM 1395 O6 NAG A 178 10.840 -2.735 6.632 1.00 0.00 O HETATM 1396 O7 NAG A 178 15.971 0.489 4.385 1.00 0.00 O HETATM 0 HO6 NAG A 178 10.144 -3.025 7.258 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.134 -3.867 4.754 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.748 -0.841 1.798 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.274 -0.113 1.654 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.221 1.302 1.421 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.523 1.352 2.633 1.00 0.00 H new HETATM 0 H62 NAG A 178 9.517 -2.660 5.055 1.00 0.00 H new HETATM 0 H61 NAG A 178 10.345 -4.191 5.262 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.262 -3.033 3.312 1.00 0.00 H new HETATM 0 H4 NAG A 178 13.160 -3.074 5.634 1.00 0.00 H new HETATM 0 H3 NAG A 178 13.774 -3.012 2.671 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.168 -0.833 4.746 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.870 -5.513 5.479 1.00 0.00 C HETATM 1411 C2 NAG A 179 12.514 -6.938 5.084 1.00 0.00 C HETATM 1412 C3 NAG A 179 12.672 -7.868 6.273 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.057 -7.721 6.871 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.356 -6.264 7.190 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.779 -6.063 7.668 1.00 0.00 C HETATM 1416 C7 NAG A 179 10.868 -7.312 3.365 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.420 -7.208 2.914 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.141 -6.978 4.623 1.00 0.00 N HETATM 1419 O3 NAG A 179 12.484 -9.208 5.845 1.00 0.00 O HETATM 1420 O4 NAG A 179 14.126 -8.480 8.090 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.191 -5.433 6.026 1.00 0.00 O HETATM 1422 O6 NAG A 179 16.718 -6.512 6.702 1.00 0.00 O HETATM 1423 O7 NAG A 179 11.731 -7.693 2.572 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.361 -6.358 5.802 1.00 0.00 H new HETATM 0 HO3 NAG A 179 12.587 -9.813 6.609 1.00 0.00 H new HETATM 0 HN2 NAG A 179 10.382 -6.749 5.265 1.00 0.00 H new HETATM 0 H83 NAG A 179 8.800 -7.861 3.528 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.079 -6.178 3.021 1.00 0.00 H new HETATM 0 H81 NAG A 179 9.342 -7.510 1.870 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.948 -5.007 7.879 1.00 0.00 H new HETATM 0 H61 NAG A 179 15.930 -6.603 8.603 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.653 -5.987 7.976 1.00 0.00 H new HETATM 0 H4 NAG A 179 14.787 -8.084 6.148 1.00 0.00 H new HETATM 0 H3 NAG A 179 11.930 -7.611 7.029 1.00 0.00 H new HETATM 0 H2 NAG A 179 13.183 -7.264 4.288 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.330 -9.110 8.350 1.00 0.00 C HETATM 1438 C2 BMA A 180 15.352 -9.561 9.800 1.00 0.00 C HETATM 1439 C3 BMA A 180 16.601 -10.369 10.088 1.00 0.00 C HETATM 1440 C4 BMA A 180 16.745 -11.498 9.088 1.00 0.00 C HETATM 1441 C5 BMA A 180 16.669 -10.970 7.661 1.00 0.00 C HETATM 1442 C6 BMA A 180 16.670 -12.085 6.643 1.00 0.00 C HETATM 1443 O2 BMA A 180 14.210 -10.366 10.053 1.00 0.00 O HETATM 1444 O3 BMA A 180 16.504 -10.927 11.415 1.00 0.00 O HETATM 1445 O4 BMA A 180 18.002 -12.131 9.281 1.00 0.00 O HETATM 1446 O5 BMA A 180 15.458 -10.216 7.448 1.00 0.00 O HETATM 1447 O6 BMA A 180 16.953 -11.570 5.328 1.00 0.00 O HETATM 0 HO4 BMA A 180 17.934 -13.076 9.032 1.00 0.00 H new HETATM 0 HO2 BMA A 180 14.386 -10.951 10.819 1.00 0.00 H new HETATM 0 H62 BMA A 180 17.415 -12.832 6.915 1.00 0.00 H new HETATM 0 H61 BMA A 180 15.702 -12.586 6.643 1.00 0.00 H new HETATM 0 H5 BMA A 180 17.550 -10.342 7.533 1.00 0.00 H new HETATM 0 H4 BMA A 180 15.932 -12.208 9.243 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.470 -9.716 10.012 1.00 0.00 H new HETATM 0 H2 BMA A 180 15.346 -8.681 10.443 1.00 0.00 H new HETATM 1457 C1 MAN A 181 17.482 -10.495 12.315 1.00 0.00 C HETATM 1458 C2 MAN A 181 17.318 -11.279 13.617 1.00 0.00 C HETATM 1459 C3 MAN A 181 16.056 -10.854 14.363 1.00 0.00 C HETATM 1460 C4 MAN A 181 16.000 -9.342 14.508 1.00 0.00 C HETATM 1461 C5 MAN A 181 16.173 -8.670 13.158 1.00 0.00 C HETATM 1462 C6 MAN A 181 16.232 -7.159 13.267 1.00 0.00 C HETATM 1463 O2 MAN A 181 18.459 -11.045 14.464 1.00 0.00 O HETATM 1464 O3 MAN A 181 16.061 -11.444 15.654 1.00 0.00 O HETATM 1465 O4 MAN A 181 14.743 -8.971 15.055 1.00 0.00 O HETATM 1466 O5 MAN A 181 17.396 -9.091 12.536 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.026 -6.634 13.802 1.00 0.00 O HETATM 0 HO6 MAN A 181 15.093 -5.658 13.863 1.00 0.00 H new HETATM 0 HO4 MAN A 181 14.522 -8.058 14.777 1.00 0.00 H new HETATM 0 HO3 MAN A 181 16.758 -12.131 15.697 1.00 0.00 H new HETATM 0 H62 MAN A 181 17.070 -6.870 13.901 1.00 0.00 H new HETATM 0 H61 MAN A 181 16.414 -6.728 12.283 1.00 0.00 H new HETATM 0 H5 MAN A 181 15.304 -8.961 12.568 1.00 0.00 H new HETATM 0 H4 MAN A 181 16.807 -9.022 15.167 1.00 0.00 H new HETATM 0 H3 MAN A 181 15.185 -11.184 13.797 1.00 0.00 H new HETATM 0 H2 MAN A 181 17.237 -12.337 13.367 1.00 0.00 H new HETATM 1478 C1 MAN A 182 17.846 -12.415 4.678 1.00 0.00 C HETATM 1479 C2 MAN A 182 19.231 -12.205 5.282 1.00 0.00 C HETATM 1480 C3 MAN A 182 19.858 -10.895 4.814 1.00 0.00 C HETATM 1481 C4 MAN A 182 19.815 -10.788 3.304 1.00 0.00 C HETATM 1482 C5 MAN A 182 18.396 -10.977 2.800 1.00 0.00 C HETATM 1483 C6 MAN A 182 18.328 -11.009 1.286 1.00 0.00 C HETATM 1484 O2 MAN A 182 20.073 -13.292 4.883 1.00 0.00 O HETATM 1485 O3 MAN A 182 21.211 -10.852 5.241 1.00 0.00 O HETATM 1486 O4 MAN A 182 20.282 -9.503 2.914 1.00 0.00 O HETATM 1487 O5 MAN A 182 17.847 -12.224 3.261 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.993 -12.153 0.768 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.940 -12.884 1.418 1.00 0.00 H new HETATM 0 HO4 MAN A 182 20.561 -9.527 1.975 1.00 0.00 H new HETATM 0 HO3 MAN A 182 21.587 -11.757 5.227 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.286 -11.014 0.966 1.00 0.00 H new HETATM 0 H61 MAN A 182 18.782 -10.105 0.879 1.00 0.00 H new HETATM 0 H5 MAN A 182 17.831 -10.128 3.185 1.00 0.00 H new HETATM 0 H4 MAN A 182 20.449 -11.565 2.876 1.00 0.00 H new HETATM 0 H3 MAN A 182 19.295 -10.065 5.241 1.00 0.00 H new HETATM 0 H2 MAN A 182 19.130 -12.163 6.367 1.00 0.00 H new HETATM 1499 C1 NAG A 183 20.334 -14.233 5.862 1.00 0.00 C HETATM 1500 C2 NAG A 183 21.142 -15.379 5.256 1.00 0.00 C HETATM 1501 C3 NAG A 183 21.489 -16.391 6.331 1.00 0.00 C HETATM 1502 C4 NAG A 183 22.203 -15.710 7.481 1.00 0.00 C HETATM 1503 C5 NAG A 183 21.410 -14.501 7.967 1.00 0.00 C HETATM 1504 C6 NAG A 183 22.173 -13.686 8.992 1.00 0.00 C HETATM 1505 C7 NAG A 183 20.747 -15.943 2.951 1.00 0.00 C HETATM 1506 C8 NAG A 183 19.771 -16.424 1.891 1.00 0.00 C HETATM 1507 N2 NAG A 183 20.357 -16.021 4.220 1.00 0.00 N HETATM 1508 O3 NAG A 183 22.334 -17.389 5.779 1.00 0.00 O HETATM 1509 O4 NAG A 183 22.363 -16.641 8.577 1.00 0.00 O HETATM 1510 O5 NAG A 183 21.102 -13.606 6.880 1.00 0.00 O HETATM 1511 O6 NAG A 183 22.475 -14.458 10.145 1.00 0.00 O HETATM 1512 O7 NAG A 183 21.847 -15.504 2.617 1.00 0.00 O HETATM 0 HO6 NAG A 183 22.793 -15.344 9.872 1.00 0.00 H new HETATM 0 HO3 NAG A 183 22.451 -18.114 6.428 1.00 0.00 H new HETATM 0 HN2 NAG A 183 19.508 -16.531 4.464 1.00 0.00 H new HETATM 0 H83 NAG A 183 19.541 -17.476 2.059 1.00 0.00 H new HETATM 0 H82 NAG A 183 18.854 -15.838 1.948 1.00 0.00 H new HETATM 0 H81 NAG A 183 20.217 -16.303 0.904 1.00 0.00 H new HETATM 0 H62 NAG A 183 23.097 -13.314 8.549 1.00 0.00 H new HETATM 0 H61 NAG A 183 21.584 -12.815 9.279 1.00 0.00 H new HETATM 0 H5 NAG A 183 20.503 -14.911 8.411 1.00 0.00 H new HETATM 0 H4 NAG A 183 23.179 -15.377 7.129 1.00 0.00 H new HETATM 0 H3 NAG A 183 20.570 -16.845 6.703 1.00 0.00 H new HETATM 0 H2 NAG A 183 22.064 -14.985 4.828 1.00 0.00 H new HETATM 1526 C1 NAG A 184 19.186 -12.170 14.824 1.00 0.00 C HETATM 1527 C2 NAG A 184 20.173 -11.811 15.935 1.00 0.00 C HETATM 1528 C3 NAG A 184 20.894 -13.052 16.427 1.00 0.00 C HETATM 1529 C4 NAG A 184 19.895 -14.122 16.816 1.00 0.00 C HETATM 1530 C5 NAG A 184 18.920 -14.379 15.678 1.00 0.00 C HETATM 1531 C6 NAG A 184 17.830 -15.358 16.062 1.00 0.00 C HETATM 1532 C7 NAG A 184 21.988 -11.234 14.461 1.00 0.00 C HETATM 1533 C8 NAG A 184 23.090 -10.258 14.085 1.00 0.00 C HETATM 1534 N2 NAG A 184 21.149 -10.868 15.426 1.00 0.00 N HETATM 1535 O3 NAG A 184 21.683 -12.715 17.559 1.00 0.00 O HETATM 1536 O4 NAG A 184 20.603 -15.340 17.117 1.00 0.00 O HETATM 1537 O5 NAG A 184 18.262 -13.161 15.278 1.00 0.00 O HETATM 1538 O6 NAG A 184 16.945 -15.594 14.976 1.00 0.00 O HETATM 1539 O7 NAG A 184 21.902 -12.314 13.876 1.00 0.00 O HETATM 0 HO6 NAG A 184 16.838 -14.770 14.456 1.00 0.00 H new HETATM 0 HO3 NAG A 184 22.150 -13.514 17.882 1.00 0.00 H new HETATM 0 HN2 NAG A 184 21.192 -9.923 15.808 1.00 0.00 H new HETATM 0 H83 NAG A 184 22.647 -9.323 13.743 1.00 0.00 H new HETATM 0 H82 NAG A 184 23.717 -10.065 14.955 1.00 0.00 H new HETATM 0 H81 NAG A 184 23.698 -10.685 13.287 1.00 0.00 H new HETATM 0 H62 NAG A 184 18.279 -16.299 16.380 1.00 0.00 H new HETATM 0 H61 NAG A 184 17.270 -14.968 16.912 1.00 0.00 H new HETATM 0 H5 NAG A 184 19.519 -14.791 14.866 1.00 0.00 H new HETATM 0 H4 NAG A 184 19.336 -13.784 17.689 1.00 0.00 H new HETATM 0 H3 NAG A 184 21.529 -13.434 15.628 1.00 0.00 H new HETATM 0 H2 NAG A 184 19.620 -11.369 16.764 1.00 0.00 H new HETATM 1553 C1 GAL A 185 20.160 -16.044 18.222 1.00 0.00 C HETATM 1554 C2 GAL A 185 20.996 -17.304 18.393 1.00 0.00 C HETATM 1555 C3 GAL A 185 20.613 -18.030 19.669 1.00 0.00 C HETATM 1556 C4 GAL A 185 20.662 -17.082 20.854 1.00 0.00 C HETATM 1557 C5 GAL A 185 19.832 -15.835 20.577 1.00 0.00 C HETATM 1558 C6 GAL A 185 19.946 -14.807 21.685 1.00 0.00 C HETATM 1559 O2 GAL A 185 20.772 -18.163 17.284 1.00 0.00 O HETATM 1560 O3 GAL A 185 21.519 -19.101 19.887 1.00 0.00 O HETATM 1561 O4 GAL A 185 22.010 -16.701 21.088 1.00 0.00 O HETATM 1562 O5 GAL A 185 20.265 -15.186 19.366 1.00 0.00 O HETATM 1563 O6 GAL A 185 19.194 -13.641 21.384 1.00 0.00 O HETATM 0 HO6 GAL A 185 19.122 -13.540 20.412 1.00 0.00 H new HETATM 0 HO4 GAL A 185 22.211 -15.885 20.584 1.00 0.00 H new HETATM 0 HO3 GAL A 185 22.178 -18.839 20.563 1.00 0.00 H new HETATM 0 HO2 GAL A 185 21.309 -18.976 17.387 1.00 0.00 H new HETATM 0 H62 GAL A 185 19.594 -15.238 22.622 1.00 0.00 H new HETATM 0 H61 GAL A 185 20.993 -14.540 21.831 1.00 0.00 H new HETATM 0 H5 GAL A 185 18.802 -16.182 20.496 1.00 0.00 H new HETATM 0 H4 GAL A 185 20.254 -17.589 21.728 1.00 0.00 H new HETATM 0 H3 GAL A 185 19.598 -18.413 19.567 1.00 0.00 H new HETATM 0 H2 GAL A 185 22.048 -17.024 18.450 1.00 0.00 H new HETATM 1575 C1 GAL A 186 21.354 -17.579 8.790 1.00 0.00 C HETATM 1576 C2 GAL A 186 20.019 -16.876 8.980 1.00 0.00 C HETATM 1577 C3 GAL A 186 18.904 -17.894 9.155 1.00 0.00 C HETATM 1578 C4 GAL A 186 18.925 -18.912 8.027 1.00 0.00 C HETATM 1579 C5 GAL A 186 20.321 -19.503 7.858 1.00 0.00 C HETATM 1580 C6 GAL A 186 20.417 -20.420 6.656 1.00 0.00 C HETATM 1581 O2 GAL A 186 20.087 -16.053 10.134 1.00 0.00 O HETATM 1582 O3 GAL A 186 17.654 -17.222 9.150 1.00 0.00 O HETATM 1583 O4 GAL A 186 18.537 -18.276 6.819 1.00 0.00 O HETATM 1584 O5 GAL A 186 21.310 -18.469 7.671 1.00 0.00 O HETATM 1585 O6 GAL A 186 21.724 -20.962 6.524 1.00 0.00 O HETATM 0 HO6 GAL A 186 22.384 -20.298 6.813 1.00 0.00 H new HETATM 0 HO4 GAL A 186 18.227 -18.950 6.179 1.00 0.00 H new HETATM 0 HO3 GAL A 186 17.246 -17.296 8.262 1.00 0.00 H new HETATM 0 HO2 GAL A 186 20.989 -15.679 10.216 1.00 0.00 H new HETATM 0 H62 GAL A 186 19.693 -21.229 6.754 1.00 0.00 H new HETATM 0 H61 GAL A 186 20.157 -19.868 5.753 1.00 0.00 H new HETATM 0 H5 GAL A 186 20.509 -20.065 8.773 1.00 0.00 H new HETATM 0 H4 GAL A 186 18.232 -19.718 8.269 1.00 0.00 H new HETATM 0 H3 GAL A 186 19.051 -18.414 10.101 1.00 0.00 H new HETATM 0 H2 GAL A 186 19.808 -16.270 8.099 1.00 0.00 H new