USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=54 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 180:sc= -0.791 USER MOD Set 1.2: A 186 GAL O2 : rot 180:sc= 0 USER MOD Set 2.1: A 54 THR OG1 : rot 167:sc= -1.85! USER MOD Set 2.2: A 85 SER OG : rot -95:sc= -1.6 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0517 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.192! USER MOD Single : A 13 GLN :FLIP amide:sc= -2.77! C(o=-3.3!,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= -17.2! C(o=-17!,f=-22!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.102 F(o=-0.65,f=-0.1) USER MOD Single : A 27 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.049) USER MOD Single : A 29 MET CE :methyl 180:sc= -3.66 (180deg=-3.66) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0461 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 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -2.17 (180deg=-3.52!) USER MOD Single : A 45 LYS NZ :NH3+ -103:sc= -0.0322 (180deg=-1.22) USER MOD Single : A 46 THR OG1 : rot 78:sc= -0.732! USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1! C(o=-1!,f=-0.8!) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0.546 (180deg=-0.757!) USER MOD Single : A 52 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 57 SER OG : rot 180:sc= -1.17! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 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 X(o=0,f=-0.21) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 163:sc= -1.65! (180deg=-2.94!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -17.8! C(o=-18!,f=-21!) USER MOD Single : A 80 THR OG1 : rot -20:sc= -4.92! USER MOD Single : A 83 HIS : no HE2:sc= -1.9 X(o=-1.9,f=-2.2) USER MOD Single : A 86 THR OG1 : rot -59:sc= 1.18 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 HE2:sc= -0.94! C(o=-0.94!,f=-5.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -76:sc= 0.201 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot -40:sc= 0.491 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot -26:sc= 0.037 USER MOD Single : A 180 BMA O2 : rot 155:sc= 0.0468 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O3 : rot -6:sc= 1.05 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot -30:sc= 0.0314 USER MOD Single : A 182 MAN O3 : rot 33:sc= 0.0951 USER MOD Single : A 182 MAN O4 : rot -147:sc= 1.09 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.951 USER MOD Single : A 183 NAG O3 : rot 180:sc= 0 USER MOD Single : A 184 NAG O3 : rot -93:sc= 0.564 USER MOD Single : A 184 NAG O6 : rot 32:sc= 0.00771 USER MOD Single : A 185 GAL O2 : rot 180:sc= -8.95! USER MOD Single : A 185 GAL O3 : rot 96:sc= 0.083 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.083 USER MOD Single : A 185 GAL O6 : rot -28:sc= 0.0268 USER MOD Single : A 186 GAL O3 : rot 94:sc= 0.099 USER MOD Single : A 186 GAL O4 : rot 123:sc= 1.26 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.842 2.504 -15.815 1.00 0.00 N ATOM 2 CA ALA A 1 -16.143 2.033 -14.592 1.00 0.00 C ATOM 3 C ALA A 1 -16.126 0.510 -14.523 1.00 0.00 C ATOM 4 O ALA A 1 -16.978 -0.161 -15.106 1.00 0.00 O ATOM 5 CB ALA A 1 -16.804 2.609 -13.349 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.149 2.905 -16.479 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.330 1.704 -16.266 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.537 3.234 -15.558 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.112 2.383 -14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.280 2.255 -12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.761 3.698 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.845 2.288 -13.309 1.00 0.00 H new ATOM 13 N PRO A 2 -15.149 -0.052 -13.799 1.00 0.00 N ATOM 14 CA PRO A 2 -15.003 -1.499 -13.635 1.00 0.00 C ATOM 15 C PRO A 2 -16.322 -2.182 -13.288 1.00 0.00 C ATOM 16 O PRO A 2 -17.330 -1.519 -13.040 1.00 0.00 O ATOM 17 CB PRO A 2 -14.003 -1.641 -12.474 1.00 0.00 C ATOM 18 CG PRO A 2 -13.784 -0.258 -11.948 1.00 0.00 C ATOM 19 CD PRO A 2 -14.109 0.678 -13.074 1.00 0.00 C ATOM 0 HA PRO A 2 -14.669 -1.975 -14.557 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.397 -2.296 -11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.067 -2.081 -12.817 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.422 -0.065 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.753 -0.126 -11.618 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.467 1.641 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.240 0.877 -13.701 1.00 0.00 H new ATOM 27 N ASP A 3 -16.307 -3.511 -13.275 1.00 0.00 N ATOM 28 CA ASP A 3 -17.501 -4.288 -12.962 1.00 0.00 C ATOM 29 C ASP A 3 -17.277 -5.162 -11.733 1.00 0.00 C ATOM 30 O ASP A 3 -18.049 -5.113 -10.774 1.00 0.00 O ATOM 31 CB ASP A 3 -17.892 -5.162 -14.155 1.00 0.00 C ATOM 32 CG ASP A 3 -18.178 -4.348 -15.401 1.00 0.00 C ATOM 33 OD1 ASP A 3 -17.464 -3.350 -15.633 1.00 0.00 O ATOM 34 OD2 ASP A 3 -19.115 -4.709 -16.144 1.00 0.00 O ATOM 0 H ASP A 3 -15.480 -4.073 -13.478 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.310 -3.590 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.088 -5.868 -14.363 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.774 -5.749 -13.898 1.00 0.00 H new ATOM 39 N VAL A 4 -16.216 -5.960 -11.765 1.00 0.00 N ATOM 40 CA VAL A 4 -15.888 -6.845 -10.653 1.00 0.00 C ATOM 41 C VAL A 4 -14.466 -6.586 -10.154 1.00 0.00 C ATOM 42 O VAL A 4 -13.992 -5.450 -10.182 1.00 0.00 O ATOM 43 CB VAL A 4 -16.038 -8.326 -11.053 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.476 -8.631 -11.448 1.00 0.00 C ATOM 45 CG2 VAL A 4 -15.082 -8.675 -12.184 1.00 0.00 C ATOM 0 H VAL A 4 -15.567 -6.012 -12.550 1.00 0.00 H new ATOM 0 HA VAL A 4 -16.591 -6.631 -9.848 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.784 -8.942 -10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.562 -9.681 -11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.136 -8.424 -10.606 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.761 -8.006 -12.294 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.203 -9.725 -12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.301 -8.052 -13.051 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.056 -8.499 -11.861 1.00 0.00 H new ATOM 55 N GLN A 5 -13.788 -7.635 -9.694 1.00 0.00 N ATOM 56 CA GLN A 5 -12.425 -7.499 -9.188 1.00 0.00 C ATOM 57 C GLN A 5 -11.405 -7.989 -10.210 1.00 0.00 C ATOM 58 O GLN A 5 -11.618 -9.003 -10.876 1.00 0.00 O ATOM 59 CB GLN A 5 -12.264 -8.276 -7.881 1.00 0.00 C ATOM 60 CG GLN A 5 -13.360 -7.992 -6.868 1.00 0.00 C ATOM 61 CD GLN A 5 -14.342 -9.138 -6.732 1.00 0.00 C ATOM 62 OE1 GLN A 5 -13.992 -10.298 -6.947 1.00 0.00 O ATOM 63 NE2 GLN A 5 -15.579 -8.819 -6.372 1.00 0.00 N ATOM 0 H GLN A 5 -14.159 -8.585 -9.661 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.242 -6.441 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.252 -9.343 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.299 -8.031 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.908 -7.789 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.898 -7.091 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.826 -7.844 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.283 -9.549 -6.264 1.00 0.00 H new ATOM 72 N ASP A 6 -10.297 -7.263 -10.326 1.00 0.00 N ATOM 73 CA ASP A 6 -9.239 -7.621 -11.263 1.00 0.00 C ATOM 74 C ASP A 6 -7.922 -6.947 -10.880 1.00 0.00 C ATOM 75 O ASP A 6 -7.856 -6.204 -9.901 1.00 0.00 O ATOM 76 CB ASP A 6 -9.637 -7.234 -12.689 1.00 0.00 C ATOM 77 CG ASP A 6 -10.722 -6.173 -12.725 1.00 0.00 C ATOM 78 OD1 ASP A 6 -11.897 -6.519 -12.482 1.00 0.00 O ATOM 79 OD2 ASP A 6 -10.396 -4.999 -12.995 1.00 0.00 O ATOM 0 H ASP A 6 -10.109 -6.421 -9.781 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.096 -8.701 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.759 -6.868 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.984 -8.121 -13.219 1.00 0.00 H new ATOM 84 N CYS A 7 -6.875 -7.219 -11.655 1.00 0.00 N ATOM 85 CA CYS A 7 -5.559 -6.647 -11.395 1.00 0.00 C ATOM 86 C CYS A 7 -5.100 -6.978 -9.978 1.00 0.00 C ATOM 87 O CYS A 7 -5.917 -7.138 -9.072 1.00 0.00 O ATOM 88 CB CYS A 7 -5.579 -5.127 -11.610 1.00 0.00 C ATOM 89 SG CYS A 7 -5.437 -4.139 -10.082 1.00 0.00 S ATOM 0 H CYS A 7 -6.914 -7.833 -12.469 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.851 -7.086 -12.098 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.761 -4.857 -12.278 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.506 -4.857 -12.116 1.00 0.00 H new ATOM 94 N PRO A 8 -3.779 -7.080 -9.767 1.00 0.00 N ATOM 95 CA PRO A 8 -3.214 -7.389 -8.452 1.00 0.00 C ATOM 96 C PRO A 8 -3.691 -6.411 -7.385 1.00 0.00 C ATOM 97 O PRO A 8 -4.665 -5.687 -7.585 1.00 0.00 O ATOM 98 CB PRO A 8 -1.698 -7.263 -8.662 1.00 0.00 C ATOM 99 CG PRO A 8 -1.534 -6.542 -9.958 1.00 0.00 C ATOM 100 CD PRO A 8 -2.737 -6.898 -10.783 1.00 0.00 C ATOM 0 HA PRO A 8 -3.518 -8.374 -8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.233 -6.712 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.224 -8.244 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.473 -5.465 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.614 -6.843 -10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.993 -6.108 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.575 -7.805 -11.365 1.00 0.00 H new ATOM 108 N GLU A 9 -3.002 -6.396 -6.249 1.00 0.00 N ATOM 109 CA GLU A 9 -3.364 -5.505 -5.154 1.00 0.00 C ATOM 110 C GLU A 9 -2.241 -4.523 -4.851 1.00 0.00 C ATOM 111 O GLU A 9 -1.092 -4.730 -5.245 1.00 0.00 O ATOM 112 CB GLU A 9 -3.708 -6.311 -3.901 1.00 0.00 C ATOM 113 CG GLU A 9 -4.733 -5.633 -3.005 1.00 0.00 C ATOM 114 CD GLU A 9 -6.152 -6.065 -3.315 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.514 -6.105 -4.510 1.00 0.00 O ATOM 116 OE2 GLU A 9 -6.903 -6.364 -2.362 1.00 0.00 O ATOM 0 H GLU A 9 -2.193 -6.989 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.241 -4.936 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.088 -7.288 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.796 -6.485 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.507 -5.861 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.653 -4.552 -3.120 1.00 0.00 H new ATOM 123 N CYS A 10 -2.589 -3.448 -4.154 1.00 0.00 N ATOM 124 CA CYS A 10 -1.624 -2.419 -3.797 1.00 0.00 C ATOM 125 C CYS A 10 -0.516 -2.979 -2.913 1.00 0.00 C ATOM 126 O CYS A 10 -0.774 -3.564 -1.861 1.00 0.00 O ATOM 127 CB CYS A 10 -2.326 -1.260 -3.090 1.00 0.00 C ATOM 128 SG CYS A 10 -1.253 0.177 -2.766 1.00 0.00 S ATOM 0 H CYS A 10 -3.537 -3.267 -3.824 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.168 -2.054 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.172 -0.938 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.731 -1.618 -2.143 1.00 0.00 H new ATOM 133 N THR A 11 0.719 -2.781 -3.352 1.00 0.00 N ATOM 134 CA THR A 11 1.889 -3.244 -2.619 1.00 0.00 C ATOM 135 C THR A 11 3.060 -2.309 -2.887 1.00 0.00 C ATOM 136 O THR A 11 2.868 -1.102 -3.032 1.00 0.00 O ATOM 137 CB THR A 11 2.240 -4.679 -3.019 1.00 0.00 C ATOM 138 OG1 THR A 11 3.543 -5.024 -2.585 1.00 0.00 O ATOM 139 CG2 THR A 11 2.172 -4.924 -4.512 1.00 0.00 C ATOM 0 H THR A 11 0.938 -2.297 -4.223 1.00 0.00 H new ATOM 0 HA THR A 11 1.668 -3.238 -1.552 1.00 0.00 H new ATOM 0 HB THR A 11 1.487 -5.299 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.743 -5.946 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.433 -5.961 -4.723 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.161 -4.724 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.873 -4.263 -5.021 1.00 0.00 H new ATOM 147 N LEU A 12 4.266 -2.856 -2.965 1.00 0.00 N ATOM 148 CA LEU A 12 5.440 -2.043 -3.229 1.00 0.00 C ATOM 149 C LEU A 12 6.165 -2.519 -4.473 1.00 0.00 C ATOM 150 O LEU A 12 6.315 -3.720 -4.703 1.00 0.00 O ATOM 151 CB LEU A 12 6.385 -2.056 -2.034 1.00 0.00 C ATOM 152 CG LEU A 12 6.053 -1.031 -0.954 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.564 -1.043 -0.649 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.863 -1.314 0.296 1.00 0.00 C ATOM 0 H LEU A 12 4.454 -3.852 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 12 5.104 -1.020 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.374 -3.051 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.400 -1.877 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 12 6.314 -0.037 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.345 -0.306 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.006 -0.799 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.272 -2.033 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.620 -0.577 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.627 -2.312 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.926 -1.256 0.062 1.00 0.00 H new ATOM 166 N GLN A 13 6.604 -1.565 -5.277 1.00 0.00 N ATOM 167 CA GLN A 13 7.308 -1.870 -6.509 1.00 0.00 C ATOM 168 C GLN A 13 8.795 -1.816 -6.312 1.00 0.00 C ATOM 169 O GLN A 13 9.525 -1.235 -7.112 1.00 0.00 O ATOM 170 CB GLN A 13 6.917 -0.898 -7.583 1.00 0.00 C ATOM 171 CG GLN A 13 5.426 -0.825 -7.788 1.00 0.00 C ATOM 172 CD GLN A 13 5.016 -1.171 -9.205 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.883 -2.462 -9.484 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 4.823 -0.288 -10.041 1.00 0.00 N flip ATOM 0 H GLN A 13 6.484 -0.568 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 13 7.031 -2.881 -6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.293 0.092 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.394 -1.186 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.934 -1.507 -7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.079 0.180 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.937 0.692 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.549 -0.537 -10.992 1.00 0.00 H new ATOM 183 N GLU A 14 9.212 -2.412 -5.228 1.00 0.00 N ATOM 184 CA GLU A 14 10.621 -2.454 -4.853 1.00 0.00 C ATOM 185 C GLU A 14 11.473 -1.785 -5.906 1.00 0.00 C ATOM 186 O GLU A 14 11.535 -2.213 -7.058 1.00 0.00 O ATOM 187 CB GLU A 14 11.112 -3.873 -4.637 1.00 0.00 C ATOM 188 CG GLU A 14 12.561 -3.947 -4.181 1.00 0.00 C ATOM 189 CD GLU A 14 13.159 -5.327 -4.370 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.995 -6.172 -3.464 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.792 -5.564 -5.421 1.00 0.00 O ATOM 0 H GLU A 14 8.592 -2.886 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 14 10.712 -1.915 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.480 -4.359 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.002 -4.433 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.151 -3.219 -4.738 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.622 -3.669 -3.129 1.00 0.00 H new ATOM 198 N ASN A 15 12.105 -0.724 -5.488 1.00 0.00 N ATOM 199 CA ASN A 15 12.950 0.068 -6.355 1.00 0.00 C ATOM 200 C ASN A 15 14.044 -0.759 -7.009 1.00 0.00 C ATOM 201 O ASN A 15 15.064 -1.063 -6.388 1.00 0.00 O ATOM 202 CB ASN A 15 13.570 1.214 -5.578 1.00 0.00 C ATOM 203 CG ASN A 15 13.485 2.518 -6.333 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.372 2.860 -7.115 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.411 3.253 -6.103 1.00 0.00 N ATOM 0 H ASN A 15 12.052 -0.377 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 15 12.315 0.460 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.064 1.317 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.614 0.985 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.291 4.145 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.702 2.928 -5.446 1.00 0.00 H new ATOM 212 N PRO A 16 13.869 -1.098 -8.296 1.00 0.00 N ATOM 213 CA PRO A 16 14.871 -1.848 -9.047 1.00 0.00 C ATOM 214 C PRO A 16 16.031 -0.937 -9.414 1.00 0.00 C ATOM 215 O PRO A 16 16.903 -1.286 -10.211 1.00 0.00 O ATOM 216 CB PRO A 16 14.111 -2.294 -10.294 1.00 0.00 C ATOM 217 CG PRO A 16 13.092 -1.227 -10.505 1.00 0.00 C ATOM 218 CD PRO A 16 12.706 -0.738 -9.131 1.00 0.00 C ATOM 0 HA PRO A 16 15.299 -2.684 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.775 -2.385 -11.153 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.643 -3.268 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.498 -0.415 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.225 -1.617 -11.038 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.525 0.337 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.794 -1.218 -8.776 1.00 0.00 H new ATOM 226 N PHE A 17 16.005 0.245 -8.814 1.00 0.00 N ATOM 227 CA PHE A 17 17.010 1.269 -9.031 1.00 0.00 C ATOM 228 C PHE A 17 17.938 1.382 -7.829 1.00 0.00 C ATOM 229 O PHE A 17 19.152 1.215 -7.940 1.00 0.00 O ATOM 230 CB PHE A 17 16.313 2.612 -9.253 1.00 0.00 C ATOM 231 CG PHE A 17 17.166 3.617 -9.956 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.528 3.417 -10.073 1.00 0.00 C ATOM 233 CD2 PHE A 17 16.605 4.758 -10.502 1.00 0.00 C ATOM 234 CE1 PHE A 17 19.322 4.338 -10.727 1.00 0.00 C ATOM 235 CE2 PHE A 17 17.391 5.684 -11.160 1.00 0.00 C ATOM 236 CZ PHE A 17 18.753 5.473 -11.272 1.00 0.00 C ATOM 0 H PHE A 17 15.276 0.520 -8.156 1.00 0.00 H new ATOM 0 HA PHE A 17 17.603 0.998 -9.904 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.404 2.449 -9.833 1.00 0.00 H new ATOM 0 HB3 PHE A 17 16.007 3.018 -8.289 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.976 2.531 -9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 17 15.542 4.926 -10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.386 4.172 -10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.943 6.570 -11.586 1.00 0.00 H new ATOM 0 HZ PHE A 17 19.371 6.195 -11.785 1.00 0.00 H new ATOM 246 N PHE A 18 17.344 1.688 -6.683 1.00 0.00 N ATOM 247 CA PHE A 18 18.086 1.855 -5.442 1.00 0.00 C ATOM 248 C PHE A 18 18.416 0.516 -4.795 1.00 0.00 C ATOM 249 O PHE A 18 19.074 0.469 -3.755 1.00 0.00 O ATOM 250 CB PHE A 18 17.274 2.722 -4.487 1.00 0.00 C ATOM 251 CG PHE A 18 16.645 3.897 -5.174 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.422 4.756 -5.925 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.284 4.138 -5.081 1.00 0.00 C ATOM 254 CE1 PHE A 18 16.861 5.839 -6.573 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.714 5.220 -5.727 1.00 0.00 C ATOM 256 CZ PHE A 18 15.504 6.071 -6.473 1.00 0.00 C ATOM 0 H PHE A 18 16.338 1.827 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 18 19.034 2.343 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.495 2.116 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.921 3.077 -3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.484 4.579 -6.007 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.662 3.475 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.482 6.502 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.652 5.399 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.061 6.917 -6.978 1.00 0.00 H new ATOM 266 N SER A 19 17.966 -0.570 -5.412 1.00 0.00 N ATOM 267 CA SER A 19 18.232 -1.903 -4.885 1.00 0.00 C ATOM 268 C SER A 19 19.712 -2.053 -4.558 1.00 0.00 C ATOM 269 O SER A 19 20.517 -2.398 -5.422 1.00 0.00 O ATOM 270 CB SER A 19 17.807 -2.972 -5.892 1.00 0.00 C ATOM 271 OG SER A 19 18.239 -4.258 -5.484 1.00 0.00 O ATOM 0 H SER A 19 17.419 -0.555 -6.272 1.00 0.00 H new ATOM 0 HA SER A 19 17.652 -2.035 -3.972 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.722 -2.966 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.224 -2.739 -6.872 1.00 0.00 H new ATOM 0 HG SER A 19 17.953 -4.924 -6.144 1.00 0.00 H new ATOM 277 N GLN A 20 20.066 -1.782 -3.306 1.00 0.00 N ATOM 278 CA GLN A 20 21.449 -1.878 -2.869 1.00 0.00 C ATOM 279 C GLN A 20 21.750 -3.263 -2.321 1.00 0.00 C ATOM 280 O GLN A 20 20.841 -4.058 -2.082 1.00 0.00 O ATOM 281 CB GLN A 20 21.740 -0.824 -1.801 1.00 0.00 C ATOM 282 CG GLN A 20 21.978 0.566 -2.363 1.00 0.00 C ATOM 283 CD GLN A 20 23.270 1.175 -1.861 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.601 0.902 -0.605 1.00 0.00 O flip ATOM 285 NE2 GLN A 20 23.965 1.879 -2.594 1.00 0.00 N flip ATOM 0 H GLN A 20 19.412 -1.494 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 20 22.090 -1.701 -3.733 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.903 -0.786 -1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.617 -1.130 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.001 0.516 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.144 1.213 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.671 2.062 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.835 2.279 -2.242 1.00 0.00 H new ATOM 294 N PRO A 21 23.036 -3.567 -2.106 1.00 0.00 N ATOM 295 CA PRO A 21 23.464 -4.860 -1.573 1.00 0.00 C ATOM 296 C PRO A 21 22.916 -5.094 -0.173 1.00 0.00 C ATOM 297 O PRO A 21 23.669 -5.266 0.784 1.00 0.00 O ATOM 298 CB PRO A 21 24.996 -4.755 -1.544 1.00 0.00 C ATOM 299 CG PRO A 21 25.324 -3.627 -2.462 1.00 0.00 C ATOM 300 CD PRO A 21 24.173 -2.671 -2.355 1.00 0.00 C ATOM 0 HA PRO A 21 23.104 -5.695 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.359 -4.561 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.461 -5.683 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 21 26.260 -3.147 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 21 25.447 -3.979 -3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 21 24.313 -1.958 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 21 24.040 -2.092 -3.269 1.00 0.00 H new ATOM 308 N GLY A 22 21.592 -5.090 -0.064 1.00 0.00 N ATOM 309 CA GLY A 22 20.952 -5.295 1.222 1.00 0.00 C ATOM 310 C GLY A 22 19.768 -4.377 1.444 1.00 0.00 C ATOM 311 O GLY A 22 19.187 -4.364 2.528 1.00 0.00 O ATOM 0 H GLY A 22 20.950 -4.948 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.621 -6.331 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.682 -5.136 2.015 1.00 0.00 H new ATOM 315 N ALA A 23 19.407 -3.602 0.426 1.00 0.00 N ATOM 316 CA ALA A 23 18.288 -2.683 0.549 1.00 0.00 C ATOM 317 C ALA A 23 17.607 -2.442 -0.778 1.00 0.00 C ATOM 318 O ALA A 23 18.083 -1.691 -1.631 1.00 0.00 O ATOM 319 CB ALA A 23 18.755 -1.385 1.173 1.00 0.00 C ATOM 0 H ALA A 23 19.869 -3.593 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 23 17.544 -3.139 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.912 -0.700 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.167 -1.584 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.523 -0.935 0.544 1.00 0.00 H new ATOM 325 N PRO A 24 16.472 -3.112 -0.953 1.00 0.00 N ATOM 326 CA PRO A 24 15.661 -3.049 -2.145 1.00 0.00 C ATOM 327 C PRO A 24 14.519 -2.052 -2.026 1.00 0.00 C ATOM 328 O PRO A 24 13.383 -2.419 -1.737 1.00 0.00 O ATOM 329 CB PRO A 24 15.131 -4.483 -2.234 1.00 0.00 C ATOM 330 CG PRO A 24 15.317 -5.095 -0.872 1.00 0.00 C ATOM 331 CD PRO A 24 15.883 -4.030 0.015 1.00 0.00 C ATOM 0 HA PRO A 24 16.215 -2.713 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.080 -4.490 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.673 -5.050 -2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.367 -5.458 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.989 -5.951 -0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.113 -3.549 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.627 -4.427 0.706 1.00 0.00 H new ATOM 339 N ILE A 25 14.847 -0.788 -2.243 1.00 0.00 N ATOM 340 CA ILE A 25 13.900 0.300 -2.169 1.00 0.00 C ATOM 341 C ILE A 25 12.558 -0.018 -2.806 1.00 0.00 C ATOM 342 O ILE A 25 12.294 -1.159 -3.172 1.00 0.00 O ATOM 343 CB ILE A 25 14.531 1.540 -2.789 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.704 1.925 -1.925 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.536 2.670 -2.837 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.332 1.848 -0.467 1.00 0.00 C ATOM 0 H ILE A 25 15.794 -0.491 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 25 13.676 0.478 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 25 14.850 1.334 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.545 1.262 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.028 2.936 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.004 3.548 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.676 2.373 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.207 2.908 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.191 2.129 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.505 2.529 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.031 0.830 -0.222 1.00 0.00 H new ATOM 358 N LEU A 26 11.670 0.982 -2.850 1.00 0.00 N ATOM 359 CA LEU A 26 10.321 0.766 -3.342 1.00 0.00 C ATOM 360 C LEU A 26 9.654 1.989 -3.913 1.00 0.00 C ATOM 361 O LEU A 26 10.286 2.977 -4.281 1.00 0.00 O ATOM 362 CB LEU A 26 9.510 0.302 -2.160 1.00 0.00 C ATOM 363 CG LEU A 26 10.383 -0.195 -1.039 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.856 0.246 0.304 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.539 -1.701 -1.104 1.00 0.00 C ATOM 0 H LEU A 26 11.867 1.937 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 26 10.378 0.048 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.890 1.123 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.834 -0.494 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 26 11.371 0.249 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.509 -0.129 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.828 1.335 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.850 -0.149 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.174 -2.037 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.560 -2.172 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.996 -1.979 -2.054 1.00 0.00 H new ATOM 377 N GLN A 27 8.340 1.872 -3.962 1.00 0.00 N ATOM 378 CA GLN A 27 7.476 2.932 -4.468 1.00 0.00 C ATOM 379 C GLN A 27 6.082 2.400 -4.815 1.00 0.00 C ATOM 380 O GLN A 27 5.664 2.420 -5.972 1.00 0.00 O ATOM 381 CB GLN A 27 8.118 3.594 -5.684 1.00 0.00 C ATOM 382 CG GLN A 27 7.202 4.564 -6.409 1.00 0.00 C ATOM 383 CD GLN A 27 7.937 5.791 -6.916 1.00 0.00 C ATOM 384 OE1 GLN A 27 7.374 6.883 -6.981 1.00 0.00 O ATOM 385 NE2 GLN A 27 9.203 5.615 -7.279 1.00 0.00 N ATOM 0 H GLN A 27 7.837 1.040 -3.653 1.00 0.00 H new ATOM 0 HA GLN A 27 7.356 3.677 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.015 4.125 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.437 2.820 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.731 4.054 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.403 4.876 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.630 4.691 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.748 6.403 -7.628 1.00 0.00 H new ATOM 394 N CYS A 28 5.384 1.932 -3.784 1.00 0.00 N ATOM 395 CA CYS A 28 4.027 1.382 -3.898 1.00 0.00 C ATOM 396 C CYS A 28 3.543 1.239 -5.340 1.00 0.00 C ATOM 397 O CYS A 28 3.432 2.223 -6.071 1.00 0.00 O ATOM 398 CB CYS A 28 3.027 2.255 -3.132 1.00 0.00 C ATOM 399 SG CYS A 28 1.679 1.320 -2.327 1.00 0.00 S ATOM 0 H CYS A 28 5.746 1.922 -2.830 1.00 0.00 H new ATOM 0 HA CYS A 28 4.080 0.382 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.565 2.822 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.591 2.978 -3.821 1.00 0.00 H new ATOM 404 N MET A 29 3.210 0.009 -5.723 1.00 0.00 N ATOM 405 CA MET A 29 2.687 -0.266 -7.058 1.00 0.00 C ATOM 406 C MET A 29 1.324 0.401 -7.230 1.00 0.00 C ATOM 407 O MET A 29 1.194 1.398 -7.940 1.00 0.00 O ATOM 408 CB MET A 29 2.560 -1.778 -7.286 1.00 0.00 C ATOM 409 CG MET A 29 1.385 -2.167 -8.170 1.00 0.00 C ATOM 410 SD MET A 29 1.602 -3.778 -8.955 1.00 0.00 S ATOM 411 CE MET A 29 2.082 -4.781 -7.551 1.00 0.00 C ATOM 0 H MET A 29 3.293 -0.814 -5.126 1.00 0.00 H new ATOM 0 HA MET A 29 3.382 0.140 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.481 -2.147 -7.738 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.457 -2.275 -6.321 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.474 -2.180 -7.571 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.249 -1.408 -8.940 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.252 -5.807 -7.878 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.998 -4.383 -7.116 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.288 -4.765 -6.804 1.00 0.00 H new ATOM 421 N GLY A 30 0.314 -0.153 -6.564 1.00 0.00 N ATOM 422 CA GLY A 30 -1.024 0.408 -6.643 1.00 0.00 C ATOM 423 C GLY A 30 -1.941 -0.367 -7.571 1.00 0.00 C ATOM 424 O GLY A 30 -1.832 -0.259 -8.794 1.00 0.00 O ATOM 0 H GLY A 30 0.398 -0.979 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.462 0.430 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.959 1.441 -6.986 1.00 0.00 H new ATOM 428 N CYS A 31 -2.856 -1.142 -6.990 1.00 0.00 N ATOM 429 CA CYS A 31 -3.804 -1.926 -7.773 1.00 0.00 C ATOM 430 C CYS A 31 -4.961 -2.409 -6.902 1.00 0.00 C ATOM 431 O CYS A 31 -5.123 -3.607 -6.678 1.00 0.00 O ATOM 432 CB CYS A 31 -3.106 -3.123 -8.422 1.00 0.00 C ATOM 433 SG CYS A 31 -3.555 -3.384 -10.170 1.00 0.00 S ATOM 0 H CYS A 31 -2.959 -1.242 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.204 -1.282 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.027 -2.984 -8.351 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.349 -4.023 -7.857 1.00 0.00 H new ATOM 438 N CYS A 32 -5.767 -1.468 -6.418 1.00 0.00 N ATOM 439 CA CYS A 32 -6.913 -1.801 -5.577 1.00 0.00 C ATOM 440 C CYS A 32 -8.193 -1.844 -6.408 1.00 0.00 C ATOM 441 O CYS A 32 -8.156 -2.142 -7.603 1.00 0.00 O ATOM 442 CB CYS A 32 -7.053 -0.783 -4.440 1.00 0.00 C ATOM 443 SG CYS A 32 -5.601 -0.687 -3.340 1.00 0.00 S ATOM 0 H CYS A 32 -5.648 -0.470 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.748 -2.788 -5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.235 0.202 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.930 -1.038 -3.845 1.00 0.00 H new ATOM 448 N PHE A 33 -9.324 -1.546 -5.775 1.00 0.00 N ATOM 449 CA PHE A 33 -10.608 -1.552 -6.465 1.00 0.00 C ATOM 450 C PHE A 33 -11.367 -0.254 -6.202 1.00 0.00 C ATOM 451 O PHE A 33 -10.781 0.739 -5.771 1.00 0.00 O ATOM 452 CB PHE A 33 -11.445 -2.755 -6.024 1.00 0.00 C ATOM 453 CG PHE A 33 -10.618 -3.918 -5.549 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.727 -4.549 -6.403 1.00 0.00 C ATOM 455 CD2 PHE A 33 -10.732 -4.379 -4.246 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.965 -5.617 -5.967 1.00 0.00 C ATOM 457 CE2 PHE A 33 -9.973 -5.447 -3.805 1.00 0.00 C ATOM 458 CZ PHE A 33 -9.089 -6.067 -4.667 1.00 0.00 C ATOM 0 H PHE A 33 -9.377 -1.298 -4.787 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.421 -1.630 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.117 -2.446 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.069 -3.079 -6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.627 -4.202 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.422 -3.898 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.273 -6.099 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.071 -5.796 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.496 -6.902 -4.325 1.00 0.00 H new ATOM 468 N SER A 34 -12.669 -0.262 -6.464 1.00 0.00 N ATOM 469 CA SER A 34 -13.491 0.925 -6.256 1.00 0.00 C ATOM 470 C SER A 34 -14.837 0.565 -5.637 1.00 0.00 C ATOM 471 O SER A 34 -15.584 -0.243 -6.188 1.00 0.00 O ATOM 472 CB SER A 34 -13.713 1.651 -7.583 1.00 0.00 C ATOM 473 OG SER A 34 -15.070 1.578 -7.984 1.00 0.00 O ATOM 0 H SER A 34 -13.176 -1.073 -6.819 1.00 0.00 H new ATOM 0 HA SER A 34 -12.961 1.581 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.416 2.695 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.079 1.210 -8.353 1.00 0.00 H new ATOM 0 HG SER A 34 -15.186 2.051 -8.834 1.00 0.00 H new ATOM 479 N ARG A 35 -15.140 1.180 -4.492 1.00 0.00 N ATOM 480 CA ARG A 35 -16.399 0.941 -3.790 1.00 0.00 C ATOM 481 C ARG A 35 -16.211 1.043 -2.279 1.00 0.00 C ATOM 482 O ARG A 35 -15.147 1.434 -1.799 1.00 0.00 O ATOM 483 CB ARG A 35 -16.971 -0.432 -4.148 1.00 0.00 C ATOM 484 CG ARG A 35 -17.945 -0.397 -5.316 1.00 0.00 C ATOM 485 CD ARG A 35 -19.372 -0.170 -4.845 1.00 0.00 C ATOM 486 NE ARG A 35 -20.083 0.787 -5.689 1.00 0.00 N ATOM 487 CZ ARG A 35 -21.360 1.110 -5.517 1.00 0.00 C ATOM 488 NH1 ARG A 35 -22.057 0.558 -4.533 1.00 0.00 N ATOM 489 NH2 ARG A 35 -21.942 1.984 -6.325 1.00 0.00 N ATOM 0 H ARG A 35 -14.526 1.851 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 35 -17.103 1.710 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -16.150 -1.107 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -17.477 -0.845 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -17.658 0.396 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -17.888 -1.336 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.908 -1.119 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -19.361 0.192 -3.817 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.571 1.231 -6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.613 -0.115 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.038 0.806 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.409 2.412 -7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -22.923 2.229 -6.190 1.00 0.00 H new ATOM 503 N ALA A 36 -17.254 0.686 -1.534 1.00 0.00 N ATOM 504 CA ALA A 36 -17.206 0.735 -0.078 1.00 0.00 C ATOM 505 C ALA A 36 -18.472 0.137 0.532 1.00 0.00 C ATOM 506 O ALA A 36 -19.549 0.726 0.449 1.00 0.00 O ATOM 507 CB ALA A 36 -17.015 2.167 0.400 1.00 0.00 C ATOM 0 H ALA A 36 -18.142 0.360 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.355 0.139 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.981 2.186 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.081 2.562 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.846 2.781 0.052 1.00 0.00 H new ATOM 513 N TYR A 37 -18.335 -1.035 1.145 1.00 0.00 N ATOM 514 CA TYR A 37 -19.471 -1.709 1.768 1.00 0.00 C ATOM 515 C TYR A 37 -19.010 -2.897 2.608 1.00 0.00 C ATOM 516 O TYR A 37 -18.617 -3.934 2.074 1.00 0.00 O ATOM 517 CB TYR A 37 -20.464 -2.175 0.700 1.00 0.00 C ATOM 518 CG TYR A 37 -21.470 -1.117 0.305 1.00 0.00 C ATOM 519 CD1 TYR A 37 -22.524 -0.786 1.147 1.00 0.00 C ATOM 520 CD2 TYR A 37 -21.364 -0.449 -0.908 1.00 0.00 C ATOM 521 CE1 TYR A 37 -23.447 0.179 0.791 1.00 0.00 C ATOM 522 CE2 TYR A 37 -22.282 0.519 -1.272 1.00 0.00 C ATOM 523 CZ TYR A 37 -23.320 0.830 -0.420 1.00 0.00 C ATOM 524 OH TYR A 37 -24.235 1.792 -0.779 1.00 0.00 O ATOM 0 H TYR A 37 -17.451 -1.537 1.224 1.00 0.00 H new ATOM 0 HA TYR A 37 -19.966 -0.996 2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -19.911 -2.488 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -20.997 -3.051 1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -22.624 -1.291 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -20.552 -0.689 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -24.263 0.422 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.186 1.029 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 37 -24.002 2.153 -1.660 1.00 0.00 H new ATOM 534 N PRO A 38 -19.053 -2.753 3.942 1.00 0.00 N ATOM 535 CA PRO A 38 -18.638 -3.811 4.874 1.00 0.00 C ATOM 536 C PRO A 38 -19.318 -5.147 4.584 1.00 0.00 C ATOM 537 O PRO A 38 -20.189 -5.239 3.720 1.00 0.00 O ATOM 538 CB PRO A 38 -19.078 -3.272 6.237 1.00 0.00 C ATOM 539 CG PRO A 38 -19.097 -1.792 6.071 1.00 0.00 C ATOM 540 CD PRO A 38 -19.509 -1.542 4.647 1.00 0.00 C ATOM 0 HA PRO A 38 -17.570 -4.018 4.804 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -20.061 -3.652 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.386 -3.573 7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -19.797 -1.330 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.116 -1.364 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -20.587 -1.407 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.041 -0.643 4.245 1.00 0.00 H new ATOM 548 N THR A 39 -18.910 -6.182 5.315 1.00 0.00 N ATOM 549 CA THR A 39 -19.475 -7.518 5.140 1.00 0.00 C ATOM 550 C THR A 39 -20.997 -7.486 5.205 1.00 0.00 C ATOM 551 O THR A 39 -21.578 -7.041 6.196 1.00 0.00 O ATOM 552 CB THR A 39 -18.936 -8.470 6.210 1.00 0.00 C ATOM 553 OG1 THR A 39 -17.520 -8.484 6.206 1.00 0.00 O ATOM 554 CG2 THR A 39 -19.412 -9.896 6.033 1.00 0.00 C ATOM 0 H THR A 39 -18.190 -6.121 6.035 1.00 0.00 H new ATOM 0 HA THR A 39 -19.178 -7.876 4.154 1.00 0.00 H new ATOM 0 HB THR A 39 -19.321 -8.089 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 39 -17.197 -9.098 6.899 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.994 -10.520 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.500 -9.925 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.084 -10.271 5.063 1.00 0.00 H new ATOM 562 N PRO A 40 -21.665 -7.971 4.146 1.00 0.00 N ATOM 563 CA PRO A 40 -23.129 -8.010 4.082 1.00 0.00 C ATOM 564 C PRO A 40 -23.728 -8.795 5.242 1.00 0.00 C ATOM 565 O PRO A 40 -23.009 -9.463 5.985 1.00 0.00 O ATOM 566 CB PRO A 40 -23.426 -8.714 2.750 1.00 0.00 C ATOM 567 CG PRO A 40 -22.144 -9.364 2.347 1.00 0.00 C ATOM 568 CD PRO A 40 -21.045 -8.527 2.937 1.00 0.00 C ATOM 0 HA PRO A 40 -23.563 -7.012 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -24.221 -9.451 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -23.759 -8.001 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -22.094 -10.388 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.057 -9.412 1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -20.165 -9.125 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.723 -7.743 2.252 1.00 0.00 H new ATOM 576 N LEU A 41 -25.045 -8.708 5.395 1.00 0.00 N ATOM 577 CA LEU A 41 -25.741 -9.408 6.469 1.00 0.00 C ATOM 578 C LEU A 41 -25.032 -10.713 6.821 1.00 0.00 C ATOM 579 O LEU A 41 -24.579 -10.898 7.950 1.00 0.00 O ATOM 580 CB LEU A 41 -27.187 -9.697 6.063 1.00 0.00 C ATOM 581 CG LEU A 41 -28.248 -8.906 6.829 1.00 0.00 C ATOM 582 CD1 LEU A 41 -29.640 -9.384 6.451 1.00 0.00 C ATOM 583 CD2 LEU A 41 -28.029 -9.033 8.330 1.00 0.00 C ATOM 0 H LEU A 41 -25.653 -8.159 4.788 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.737 -8.764 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -27.298 -9.487 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -27.380 -10.761 6.200 1.00 0.00 H new ATOM 0 HG LEU A 41 -28.158 -7.854 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -30.384 -8.811 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -29.795 -9.243 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -29.740 -10.441 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -28.793 -8.464 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -28.093 -10.082 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -27.044 -8.645 8.588 1.00 0.00 H new ATOM 595 N ARG A 42 -24.944 -11.611 5.847 1.00 0.00 N ATOM 596 CA ARG A 42 -24.294 -12.901 6.051 1.00 0.00 C ATOM 597 C ARG A 42 -23.007 -12.743 6.856 1.00 0.00 C ATOM 598 O ARG A 42 -22.549 -11.627 7.103 1.00 0.00 O ATOM 599 CB ARG A 42 -23.985 -13.571 4.709 1.00 0.00 C ATOM 600 CG ARG A 42 -24.754 -12.985 3.536 1.00 0.00 C ATOM 601 CD ARG A 42 -24.755 -13.929 2.345 1.00 0.00 C ATOM 602 NE ARG A 42 -25.725 -15.006 2.507 1.00 0.00 N ATOM 603 CZ ARG A 42 -25.428 -16.196 3.019 1.00 0.00 C ATOM 604 NH1 ARG A 42 -24.186 -16.469 3.398 1.00 0.00 N ATOM 605 NH2 ARG A 42 -26.372 -17.116 3.149 1.00 0.00 N ATOM 0 H ARG A 42 -25.315 -11.470 4.907 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.982 -13.533 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -22.917 -13.486 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -24.212 -14.635 4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -25.780 -12.778 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.309 -12.033 3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -24.982 -13.369 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -23.759 -14.353 2.217 1.00 0.00 H new ATOM 0 HE ARG A 42 -26.686 -14.836 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.455 -15.764 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -23.962 -17.383 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.327 -16.911 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.144 -18.029 3.542 1.00 0.00 H new ATOM 619 N SER A 43 -22.428 -13.869 7.263 1.00 0.00 N ATOM 620 CA SER A 43 -21.195 -13.860 8.042 1.00 0.00 C ATOM 621 C SER A 43 -20.042 -14.464 7.247 1.00 0.00 C ATOM 622 O SER A 43 -19.086 -13.772 6.897 1.00 0.00 O ATOM 623 CB SER A 43 -21.387 -14.637 9.347 1.00 0.00 C ATOM 624 OG SER A 43 -20.677 -14.031 10.413 1.00 0.00 O ATOM 0 H SER A 43 -22.794 -14.800 7.066 1.00 0.00 H new ATOM 0 HA SER A 43 -20.950 -12.823 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 -22.448 -14.683 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 43 -21.045 -15.664 9.216 1.00 0.00 H new ATOM 0 HG SER A 43 -20.818 -14.546 11.235 1.00 0.00 H new ATOM 630 N LYS A 44 -20.144 -15.759 6.968 1.00 0.00 N ATOM 631 CA LYS A 44 -19.116 -16.469 6.215 1.00 0.00 C ATOM 632 C LYS A 44 -17.866 -16.685 7.066 1.00 0.00 C ATOM 633 O LYS A 44 -17.861 -17.518 7.974 1.00 0.00 O ATOM 634 CB LYS A 44 -18.757 -15.705 4.937 1.00 0.00 C ATOM 635 CG LYS A 44 -19.902 -15.600 3.943 1.00 0.00 C ATOM 636 CD LYS A 44 -19.414 -15.771 2.515 1.00 0.00 C ATOM 637 CE LYS A 44 -20.088 -14.787 1.574 1.00 0.00 C ATOM 638 NZ LYS A 44 -21.429 -14.377 2.070 1.00 0.00 N ATOM 0 H LYS A 44 -20.932 -16.341 7.253 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.518 -17.444 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.428 -14.701 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.913 -16.199 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.651 -16.360 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.390 -14.631 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.334 -15.629 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.613 -16.789 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.458 -13.905 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.188 -15.239 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.018 -14.075 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.882 -15.181 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.325 -13.588 2.740 1.00 0.00 H new ATOM 652 N LYS A 45 -16.804 -15.938 6.769 1.00 0.00 N ATOM 653 CA LYS A 45 -15.551 -16.064 7.508 1.00 0.00 C ATOM 654 C LYS A 45 -15.082 -14.708 8.035 1.00 0.00 C ATOM 655 O LYS A 45 -15.873 -13.772 8.159 1.00 0.00 O ATOM 656 CB LYS A 45 -14.477 -16.690 6.613 1.00 0.00 C ATOM 657 CG LYS A 45 -14.494 -18.209 6.622 1.00 0.00 C ATOM 658 CD LYS A 45 -13.144 -18.781 7.026 1.00 0.00 C ATOM 659 CE LYS A 45 -12.870 -18.575 8.507 1.00 0.00 C ATOM 660 NZ LYS A 45 -11.811 -17.553 8.742 1.00 0.00 N ATOM 0 H LYS A 45 -16.787 -15.241 6.024 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.723 -16.714 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.617 -16.339 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.496 -16.343 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.260 -18.561 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.764 -18.576 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.115 -19.846 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.357 -18.306 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.789 -18.267 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.566 -19.521 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.918 -18.028 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.677 -16.987 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.097 -16.930 9.524 1.00 0.00 H new ATOM 674 N THR A 46 -13.791 -14.613 8.350 1.00 0.00 N ATOM 675 CA THR A 46 -13.204 -13.380 8.870 1.00 0.00 C ATOM 676 C THR A 46 -13.682 -13.105 10.292 1.00 0.00 C ATOM 677 O THR A 46 -14.094 -11.991 10.616 1.00 0.00 O ATOM 678 CB THR A 46 -13.538 -12.189 7.965 1.00 0.00 C ATOM 679 OG1 THR A 46 -14.431 -12.565 6.931 1.00 0.00 O ATOM 680 CG2 THR A 46 -12.315 -11.581 7.314 1.00 0.00 C ATOM 0 H THR A 46 -13.128 -15.382 8.253 1.00 0.00 H new ATOM 0 HA THR A 46 -12.122 -13.512 8.886 1.00 0.00 H new ATOM 0 HB THR A 46 -13.995 -11.450 8.622 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.340 -12.630 7.291 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.616 -10.743 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.629 -11.229 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.817 -12.333 6.702 1.00 0.00 H new ATOM 688 N MET A 47 -13.618 -14.129 11.138 1.00 0.00 N ATOM 689 CA MET A 47 -14.039 -14.005 12.530 1.00 0.00 C ATOM 690 C MET A 47 -15.188 -13.006 12.668 1.00 0.00 C ATOM 691 O MET A 47 -16.140 -13.035 11.889 1.00 0.00 O ATOM 692 CB MET A 47 -12.857 -13.583 13.404 1.00 0.00 C ATOM 693 CG MET A 47 -11.659 -14.512 13.295 1.00 0.00 C ATOM 694 SD MET A 47 -10.781 -14.702 14.859 1.00 0.00 S ATOM 695 CE MET A 47 -11.540 -16.194 15.498 1.00 0.00 C ATOM 0 H MET A 47 -13.278 -15.056 10.883 1.00 0.00 H new ATOM 0 HA MET A 47 -14.396 -14.978 12.867 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.551 -12.575 13.125 1.00 0.00 H new ATOM 0 HB3 MET A 47 -13.181 -13.542 14.444 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.993 -15.490 12.950 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.972 -14.126 12.542 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.100 -16.441 16.464 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.612 -16.035 15.617 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.371 -17.015 14.802 1.00 0.00 H new ATOM 705 N LEU A 48 -15.096 -12.122 13.661 1.00 0.00 N ATOM 706 CA LEU A 48 -16.135 -11.122 13.886 1.00 0.00 C ATOM 707 C LEU A 48 -15.522 -9.766 14.225 1.00 0.00 C ATOM 708 O LEU A 48 -14.312 -9.574 14.095 1.00 0.00 O ATOM 709 CB LEU A 48 -17.074 -11.575 15.007 1.00 0.00 C ATOM 710 CG LEU A 48 -17.958 -12.776 14.663 1.00 0.00 C ATOM 711 CD1 LEU A 48 -17.998 -13.767 15.817 1.00 0.00 C ATOM 712 CD2 LEU A 48 -19.363 -12.314 14.307 1.00 0.00 C ATOM 0 H LEU A 48 -14.317 -12.079 14.318 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.710 -11.016 12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.476 -11.822 15.884 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.715 -10.738 15.284 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.528 -13.281 13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.632 -14.612 15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.989 -14.123 16.026 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.401 -13.277 16.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.980 -13.179 14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.798 -11.784 15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -19.319 -11.647 13.446 1.00 0.00 H new ATOM 724 N VAL A 49 -16.361 -8.828 14.650 1.00 0.00 N ATOM 725 CA VAL A 49 -15.897 -7.490 14.996 1.00 0.00 C ATOM 726 C VAL A 49 -15.262 -6.812 13.786 1.00 0.00 C ATOM 727 O VAL A 49 -14.263 -7.292 13.250 1.00 0.00 O ATOM 728 CB VAL A 49 -14.876 -7.526 16.149 1.00 0.00 C ATOM 729 CG1 VAL A 49 -15.031 -6.302 17.039 1.00 0.00 C ATOM 730 CG2 VAL A 49 -15.029 -8.805 16.959 1.00 0.00 C ATOM 0 H VAL A 49 -17.365 -8.969 14.763 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.769 -6.921 15.319 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.873 -7.511 15.722 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.301 -6.345 17.848 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.866 -5.400 16.449 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.037 -6.282 17.459 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.299 -8.812 17.769 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.035 -8.853 17.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.863 -9.667 16.313 1.00 0.00 H new ATOM 740 N GLN A 50 -15.853 -5.703 13.356 1.00 0.00 N ATOM 741 CA GLN A 50 -15.348 -4.968 12.201 1.00 0.00 C ATOM 742 C GLN A 50 -14.028 -4.277 12.524 1.00 0.00 C ATOM 743 O GLN A 50 -13.814 -3.812 13.644 1.00 0.00 O ATOM 744 CB GLN A 50 -16.378 -3.934 11.738 1.00 0.00 C ATOM 745 CG GLN A 50 -17.054 -4.290 10.424 1.00 0.00 C ATOM 746 CD GLN A 50 -16.129 -5.016 9.467 1.00 0.00 C ATOM 747 OE1 GLN A 50 -16.348 -6.181 9.138 1.00 0.00 O ATOM 748 NE2 GLN A 50 -15.084 -4.330 9.018 1.00 0.00 N ATOM 0 H GLN A 50 -16.681 -5.293 13.789 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.173 -5.684 11.398 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.140 -3.823 12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.887 -2.967 11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.924 -4.915 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.419 -3.379 9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.941 -3.365 9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.425 -4.768 8.374 1.00 0.00 H new ATOM 757 N LYS A 51 -13.144 -4.211 11.534 1.00 0.00 N ATOM 758 CA LYS A 51 -11.844 -3.576 11.713 1.00 0.00 C ATOM 759 C LYS A 51 -11.686 -2.388 10.765 1.00 0.00 C ATOM 760 O LYS A 51 -10.587 -2.098 10.293 1.00 0.00 O ATOM 761 CB LYS A 51 -10.721 -4.592 11.486 1.00 0.00 C ATOM 762 CG LYS A 51 -9.744 -4.721 12.651 1.00 0.00 C ATOM 763 CD LYS A 51 -10.417 -4.499 13.999 1.00 0.00 C ATOM 764 CE LYS A 51 -11.357 -5.639 14.356 1.00 0.00 C ATOM 765 NZ LYS A 51 -12.442 -5.197 15.276 1.00 0.00 N ATOM 0 H LYS A 51 -13.304 -4.589 10.600 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.781 -3.207 12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.165 -5.568 11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.166 -4.308 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.290 -5.712 12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.937 -3.999 12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.656 -4.400 14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.974 -3.562 13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.797 -6.046 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.790 -6.444 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.637 -5.948 15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.144 -4.334 15.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.303 -5.000 14.728 1.00 0.00 H new ATOM 779 N ASN A 52 -12.794 -1.704 10.499 1.00 0.00 N ATOM 780 CA ASN A 52 -12.792 -0.541 9.616 1.00 0.00 C ATOM 781 C ASN A 52 -12.233 -0.889 8.238 1.00 0.00 C ATOM 782 O ASN A 52 -11.517 -1.878 8.078 1.00 0.00 O ATOM 783 CB ASN A 52 -11.977 0.593 10.243 1.00 0.00 C ATOM 784 CG ASN A 52 -11.892 0.475 11.753 1.00 0.00 C ATOM 785 OD1 ASN A 52 -11.005 -0.192 12.285 1.00 0.00 O ATOM 786 ND2 ASN A 52 -12.818 1.122 12.452 1.00 0.00 N ATOM 0 H ASN A 52 -13.710 -1.936 10.884 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.824 -0.215 9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.971 0.589 9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.428 1.550 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.812 1.077 13.471 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.535 1.663 11.970 1.00 0.00 H new ATOM 793 N VAL A 53 -12.566 -0.067 7.242 1.00 0.00 N ATOM 794 CA VAL A 53 -12.098 -0.288 5.875 1.00 0.00 C ATOM 795 C VAL A 53 -11.687 1.021 5.210 1.00 0.00 C ATOM 796 O VAL A 53 -11.495 1.075 3.995 1.00 0.00 O ATOM 797 CB VAL A 53 -13.177 -0.961 5.005 1.00 0.00 C ATOM 798 CG1 VAL A 53 -12.674 -2.293 4.469 1.00 0.00 C ATOM 799 CG2 VAL A 53 -14.467 -1.144 5.791 1.00 0.00 C ATOM 0 H VAL A 53 -13.157 0.756 7.357 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.234 -0.948 5.951 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.390 -0.310 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.449 -2.755 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.783 -2.128 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.430 -2.952 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.215 -1.621 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.276 -1.771 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -14.835 -0.171 6.118 1.00 0.00 H new ATOM 809 N THR A 54 -11.555 2.070 6.009 1.00 0.00 N ATOM 810 CA THR A 54 -11.166 3.377 5.492 1.00 0.00 C ATOM 811 C THR A 54 -12.155 3.864 4.435 1.00 0.00 C ATOM 812 O THR A 54 -11.759 4.355 3.378 1.00 0.00 O ATOM 813 CB THR A 54 -9.759 3.310 4.896 1.00 0.00 C ATOM 814 OG1 THR A 54 -9.307 1.970 4.826 1.00 0.00 O ATOM 815 CG2 THR A 54 -8.736 4.096 5.687 1.00 0.00 C ATOM 0 H THR A 54 -11.711 2.043 7.017 1.00 0.00 H new ATOM 0 HA THR A 54 -11.172 4.085 6.321 1.00 0.00 H new ATOM 0 HB THR A 54 -9.846 3.751 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.512 1.922 4.255 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.760 4.006 5.210 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.029 5.145 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.681 3.703 6.702 1.00 0.00 H new ATOM 823 N SER A 55 -13.445 3.721 4.729 1.00 0.00 N ATOM 824 CA SER A 55 -14.495 4.141 3.807 1.00 0.00 C ATOM 825 C SER A 55 -14.257 5.561 3.303 1.00 0.00 C ATOM 826 O SER A 55 -13.486 6.319 3.891 1.00 0.00 O ATOM 827 CB SER A 55 -15.863 4.055 4.489 1.00 0.00 C ATOM 828 OG SER A 55 -16.563 5.284 4.387 1.00 0.00 O ATOM 0 H SER A 55 -13.788 3.317 5.600 1.00 0.00 H new ATOM 0 HA SER A 55 -14.474 3.468 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.451 3.259 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.733 3.793 5.539 1.00 0.00 H new ATOM 0 HG SER A 55 -17.434 5.202 4.829 1.00 0.00 H new ATOM 834 N GLU A 56 -14.932 5.913 2.212 1.00 0.00 N ATOM 835 CA GLU A 56 -14.811 7.243 1.622 1.00 0.00 C ATOM 836 C GLU A 56 -13.599 7.334 0.697 1.00 0.00 C ATOM 837 O GLU A 56 -12.498 7.679 1.128 1.00 0.00 O ATOM 838 CB GLU A 56 -14.716 8.305 2.719 1.00 0.00 C ATOM 839 CG GLU A 56 -15.745 9.416 2.580 1.00 0.00 C ATOM 840 CD GLU A 56 -16.439 9.734 3.891 1.00 0.00 C ATOM 841 OE1 GLU A 56 -15.738 9.870 4.915 1.00 0.00 O ATOM 842 OE2 GLU A 56 -17.683 9.845 3.891 1.00 0.00 O ATOM 0 H GLU A 56 -15.572 5.292 1.716 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.705 7.425 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.840 7.825 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.717 8.742 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.256 10.315 2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.490 9.126 1.839 1.00 0.00 H new ATOM 849 N SER A 57 -13.816 7.034 -0.581 1.00 0.00 N ATOM 850 CA SER A 57 -12.753 7.089 -1.582 1.00 0.00 C ATOM 851 C SER A 57 -11.608 6.142 -1.236 1.00 0.00 C ATOM 852 O SER A 57 -11.642 5.451 -0.217 1.00 0.00 O ATOM 853 CB SER A 57 -12.224 8.519 -1.713 1.00 0.00 C ATOM 854 OG SER A 57 -12.878 9.390 -0.807 1.00 0.00 O ATOM 0 H SER A 57 -14.723 6.749 -0.950 1.00 0.00 H new ATOM 0 HA SER A 57 -13.178 6.771 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.151 8.532 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.372 8.873 -2.733 1.00 0.00 H new ATOM 0 HG SER A 57 -12.521 10.297 -0.909 1.00 0.00 H new ATOM 860 N THR A 58 -10.591 6.117 -2.095 1.00 0.00 N ATOM 861 CA THR A 58 -9.430 5.256 -1.890 1.00 0.00 C ATOM 862 C THR A 58 -8.169 5.898 -2.467 1.00 0.00 C ATOM 863 O THR A 58 -8.246 6.847 -3.246 1.00 0.00 O ATOM 864 CB THR A 58 -9.661 3.890 -2.537 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.229 4.036 -3.827 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.576 2.994 -1.732 1.00 0.00 C ATOM 0 H THR A 58 -10.548 6.685 -2.941 1.00 0.00 H new ATOM 0 HA THR A 58 -9.292 5.123 -0.817 1.00 0.00 H new ATOM 0 HB THR A 58 -8.677 3.425 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.368 3.151 -4.225 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.698 2.041 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.142 2.821 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.549 3.473 -1.621 1.00 0.00 H new ATOM 874 N CYS A 59 -7.008 5.372 -2.081 1.00 0.00 N ATOM 875 CA CYS A 59 -5.732 5.894 -2.566 1.00 0.00 C ATOM 876 C CYS A 59 -4.577 5.412 -1.697 1.00 0.00 C ATOM 877 O CYS A 59 -4.595 5.571 -0.476 1.00 0.00 O ATOM 878 CB CYS A 59 -5.750 7.420 -2.591 1.00 0.00 C ATOM 879 SG CYS A 59 -5.732 8.139 -4.265 1.00 0.00 S ATOM 0 H CYS A 59 -6.925 4.587 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.587 5.521 -3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.639 7.770 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.887 7.792 -2.039 1.00 0.00 H new ATOM 884 N CYS A 60 -3.570 4.826 -2.333 1.00 0.00 N ATOM 885 CA CYS A 60 -2.407 4.320 -1.615 1.00 0.00 C ATOM 886 C CYS A 60 -1.359 5.409 -1.408 1.00 0.00 C ATOM 887 O CYS A 60 -1.109 6.226 -2.293 1.00 0.00 O ATOM 888 CB CYS A 60 -1.784 3.141 -2.363 1.00 0.00 C ATOM 889 SG CYS A 60 -2.515 1.529 -1.931 1.00 0.00 S ATOM 0 H CYS A 60 -3.535 4.690 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.750 3.985 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.894 3.304 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.715 3.113 -2.153 1.00 0.00 H new ATOM 894 N VAL A 61 -0.747 5.399 -0.231 1.00 0.00 N ATOM 895 CA VAL A 61 0.285 6.365 0.118 1.00 0.00 C ATOM 896 C VAL A 61 1.167 5.808 1.229 1.00 0.00 C ATOM 897 O VAL A 61 1.331 6.428 2.280 1.00 0.00 O ATOM 898 CB VAL A 61 -0.322 7.706 0.573 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.763 8.638 1.092 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.092 8.360 -0.565 1.00 0.00 C ATOM 0 H VAL A 61 -0.951 4.724 0.506 1.00 0.00 H new ATOM 0 HA VAL A 61 0.882 6.546 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.019 7.507 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.313 9.579 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.267 8.174 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.487 8.830 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.513 9.306 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.418 8.544 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.897 7.699 -0.886 1.00 0.00 H new ATOM 910 N ALA A 62 1.725 4.626 0.984 1.00 0.00 N ATOM 911 CA ALA A 62 2.586 3.957 1.952 1.00 0.00 C ATOM 912 C ALA A 62 2.176 4.270 3.392 1.00 0.00 C ATOM 913 O ALA A 62 2.472 5.345 3.914 1.00 0.00 O ATOM 914 CB ALA A 62 4.038 4.336 1.719 1.00 0.00 C ATOM 0 H ALA A 62 1.594 4.109 0.115 1.00 0.00 H new ATOM 0 HA ALA A 62 2.471 2.883 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.668 3.829 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.335 4.037 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.154 5.414 1.826 1.00 0.00 H new ATOM 920 N LYS A 63 1.518 3.308 4.038 1.00 0.00 N ATOM 921 CA LYS A 63 1.093 3.457 5.423 1.00 0.00 C ATOM 922 C LYS A 63 2.280 3.881 6.267 1.00 0.00 C ATOM 923 O LYS A 63 2.159 4.672 7.203 1.00 0.00 O ATOM 924 CB LYS A 63 0.540 2.128 5.941 1.00 0.00 C ATOM 925 CG LYS A 63 -0.081 2.215 7.326 1.00 0.00 C ATOM 926 CD LYS A 63 -1.422 2.924 7.290 1.00 0.00 C ATOM 927 CE LYS A 63 -2.434 2.243 8.197 1.00 0.00 C ATOM 928 NZ LYS A 63 -3.097 3.212 9.112 1.00 0.00 N ATOM 0 H LYS A 63 1.268 2.413 3.618 1.00 0.00 H new ATOM 0 HA LYS A 63 0.312 4.215 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.210 1.760 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.345 1.394 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.209 1.212 7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.595 2.746 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.295 3.962 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.800 2.939 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.188 1.743 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.935 1.472 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.780 2.709 9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.380 3.671 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.595 3.933 8.552 1.00 0.00 H new ATOM 942 N SER A 64 3.430 3.338 5.904 1.00 0.00 N ATOM 943 CA SER A 64 4.683 3.627 6.587 1.00 0.00 C ATOM 944 C SER A 64 5.844 3.514 5.610 1.00 0.00 C ATOM 945 O SER A 64 6.073 2.457 5.033 1.00 0.00 O ATOM 946 CB SER A 64 4.889 2.664 7.757 1.00 0.00 C ATOM 947 OG SER A 64 3.913 2.863 8.763 1.00 0.00 O ATOM 0 H SER A 64 3.523 2.684 5.127 1.00 0.00 H new ATOM 0 HA SER A 64 4.641 4.644 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.840 1.636 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.884 2.808 8.179 1.00 0.00 H new ATOM 0 HG SER A 64 4.067 2.233 9.498 1.00 0.00 H new ATOM 953 N TYR A 65 6.559 4.614 5.411 1.00 0.00 N ATOM 954 CA TYR A 65 7.680 4.632 4.477 1.00 0.00 C ATOM 955 C TYR A 65 9.017 4.630 5.185 1.00 0.00 C ATOM 956 O TYR A 65 9.113 4.909 6.380 1.00 0.00 O ATOM 957 CB TYR A 65 7.606 5.869 3.592 1.00 0.00 C ATOM 958 CG TYR A 65 6.991 7.075 4.262 1.00 0.00 C ATOM 959 CD1 TYR A 65 7.444 7.514 5.499 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.962 7.781 3.650 1.00 0.00 C ATOM 961 CE1 TYR A 65 6.889 8.624 6.108 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.404 8.893 4.251 1.00 0.00 C ATOM 963 CZ TYR A 65 5.870 9.309 5.481 1.00 0.00 C ATOM 964 OH TYR A 65 5.317 10.416 6.082 1.00 0.00 O ATOM 0 H TYR A 65 6.385 5.502 5.881 1.00 0.00 H new ATOM 0 HA TYR A 65 7.604 3.724 3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.612 6.125 3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.028 5.629 2.700 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.242 6.980 5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.593 7.455 2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.252 8.953 7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.608 9.433 3.761 1.00 0.00 H new ATOM 0 HH TYR A 65 4.612 10.782 5.508 1.00 0.00 H new ATOM 974 N ASN A 66 10.057 4.361 4.410 1.00 0.00 N ATOM 975 CA ASN A 66 11.413 4.376 4.927 1.00 0.00 C ATOM 976 C ASN A 66 12.257 5.202 3.991 1.00 0.00 C ATOM 977 O ASN A 66 13.467 5.023 3.857 1.00 0.00 O ATOM 978 CB ASN A 66 11.971 2.967 5.075 1.00 0.00 C ATOM 979 CG ASN A 66 12.505 2.692 6.467 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.988 1.839 7.187 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.550 3.416 6.850 1.00 0.00 N ATOM 0 H ASN A 66 9.985 4.130 3.419 1.00 0.00 H new ATOM 0 HA ASN A 66 11.422 4.815 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.189 2.245 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.770 2.819 4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.956 3.275 7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.946 4.113 6.219 1.00 0.00 H new ATOM 988 N ARG A 67 11.555 6.111 3.351 1.00 0.00 N ATOM 989 CA ARG A 67 12.121 7.042 2.384 1.00 0.00 C ATOM 990 C ARG A 67 13.637 7.018 2.404 1.00 0.00 C ATOM 991 O ARG A 67 14.279 7.623 3.262 1.00 0.00 O ATOM 992 CB ARG A 67 11.624 8.446 2.675 1.00 0.00 C ATOM 993 CG ARG A 67 11.534 8.718 4.156 1.00 0.00 C ATOM 994 CD ARG A 67 11.229 10.178 4.450 1.00 0.00 C ATOM 995 NE ARG A 67 11.403 10.488 5.865 1.00 0.00 N ATOM 996 CZ ARG A 67 12.566 10.391 6.500 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.654 10.018 5.840 1.00 0.00 N ATOM 998 NH2 ARG A 67 12.644 10.668 7.794 1.00 0.00 N ATOM 0 H ARG A 67 10.551 6.231 3.488 1.00 0.00 H new ATOM 0 HA ARG A 67 11.796 6.733 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.295 9.171 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.643 8.585 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.757 8.090 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.474 8.441 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.884 10.814 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.206 10.404 4.150 1.00 0.00 H new ATOM 0 HE ARG A 67 10.588 10.796 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.598 9.805 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.546 9.944 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.810 10.957 8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.538 10.593 8.279 1.00 0.00 H new ATOM 1012 N VAL A 68 14.193 6.320 1.439 1.00 0.00 N ATOM 1013 CA VAL A 68 15.634 6.206 1.305 1.00 0.00 C ATOM 1014 C VAL A 68 16.150 7.187 0.273 1.00 0.00 C ATOM 1015 O VAL A 68 16.960 6.831 -0.581 1.00 0.00 O ATOM 1016 CB VAL A 68 16.064 4.783 0.891 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.372 3.733 1.750 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.776 4.543 -0.588 1.00 0.00 C ATOM 0 H VAL A 68 13.665 5.816 0.726 1.00 0.00 H new ATOM 0 HA VAL A 68 16.060 6.429 2.283 1.00 0.00 H new ATOM 0 HB VAL A 68 17.139 4.695 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.692 2.739 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.636 3.887 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.292 3.820 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.086 3.534 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.708 4.657 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.328 5.267 -1.188 1.00 0.00 H new ATOM 1028 N THR A 69 15.668 8.419 0.351 1.00 0.00 N ATOM 1029 CA THR A 69 16.074 9.451 -0.591 1.00 0.00 C ATOM 1030 C THR A 69 17.402 9.083 -1.224 1.00 0.00 C ATOM 1031 O THR A 69 18.408 8.913 -0.533 1.00 0.00 O ATOM 1032 CB THR A 69 16.186 10.811 0.081 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.920 11.265 0.523 1.00 0.00 O ATOM 1034 CG2 THR A 69 16.762 11.864 -0.840 1.00 0.00 C ATOM 0 H THR A 69 14.997 8.727 1.055 1.00 0.00 H new ATOM 0 HA THR A 69 15.306 9.517 -1.361 1.00 0.00 H new ATOM 0 HB THR A 69 16.859 10.671 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.018 12.140 0.953 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.821 12.816 -0.312 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.760 11.563 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.120 11.973 -1.714 1.00 0.00 H new ATOM 1042 N VAL A 70 17.393 8.929 -2.532 1.00 0.00 N ATOM 1043 CA VAL A 70 18.593 8.544 -3.255 1.00 0.00 C ATOM 1044 C VAL A 70 18.921 9.499 -4.381 1.00 0.00 C ATOM 1045 O VAL A 70 18.367 10.594 -4.485 1.00 0.00 O ATOM 1046 CB VAL A 70 18.461 7.133 -3.850 1.00 0.00 C ATOM 1047 CG1 VAL A 70 19.782 6.386 -3.744 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.344 6.362 -3.162 1.00 0.00 C ATOM 0 H VAL A 70 16.569 9.064 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 70 19.398 8.569 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 70 18.205 7.226 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.671 5.389 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.553 6.930 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.070 6.303 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.267 5.366 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.563 6.276 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.400 6.891 -3.297 1.00 0.00 H new ATOM 1058 N MET A 71 19.839 9.056 -5.220 1.00 0.00 N ATOM 1059 CA MET A 71 20.285 9.832 -6.359 1.00 0.00 C ATOM 1060 C MET A 71 20.402 11.303 -6.002 1.00 0.00 C ATOM 1061 O MET A 71 20.971 11.663 -4.970 1.00 0.00 O ATOM 1062 CB MET A 71 19.326 9.661 -7.531 1.00 0.00 C ATOM 1063 CG MET A 71 18.756 8.269 -7.642 1.00 0.00 C ATOM 1064 SD MET A 71 19.386 7.364 -9.070 1.00 0.00 S ATOM 1065 CE MET A 71 21.021 8.076 -9.243 1.00 0.00 C ATOM 0 H MET A 71 20.295 8.148 -5.130 1.00 0.00 H new ATOM 0 HA MET A 71 21.270 9.465 -6.648 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.507 10.373 -7.428 1.00 0.00 H new ATOM 0 HB3 MET A 71 19.847 9.907 -8.456 1.00 0.00 H new ATOM 0 HG2 MET A 71 18.989 7.713 -6.734 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.670 8.331 -7.708 1.00 0.00 H new ATOM 0 HE1 MET A 71 21.635 7.429 -9.870 1.00 0.00 H new ATOM 0 HE2 MET A 71 20.942 9.060 -9.705 1.00 0.00 H new ATOM 0 HE3 MET A 71 21.482 8.173 -8.260 1.00 0.00 H new ATOM 1075 N GLY A 72 19.856 12.148 -6.863 1.00 0.00 N ATOM 1076 CA GLY A 72 19.900 13.569 -6.632 1.00 0.00 C ATOM 1077 C GLY A 72 18.862 14.032 -5.628 1.00 0.00 C ATOM 1078 O GLY A 72 18.521 15.214 -5.583 1.00 0.00 O ATOM 0 H GLY A 72 19.381 11.869 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.892 13.844 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 72 19.744 14.091 -7.576 1.00 0.00 H new ATOM 1082 N GLY A 73 18.357 13.103 -4.820 1.00 0.00 N ATOM 1083 CA GLY A 73 17.359 13.448 -3.828 1.00 0.00 C ATOM 1084 C GLY A 73 16.007 12.827 -4.120 1.00 0.00 C ATOM 1085 O GLY A 73 14.974 13.476 -3.956 1.00 0.00 O ATOM 0 H GLY A 73 18.623 12.118 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.700 13.121 -2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.255 14.532 -3.785 1.00 0.00 H new ATOM 1089 N PHE A 74 16.007 11.565 -4.547 1.00 0.00 N ATOM 1090 CA PHE A 74 14.760 10.869 -4.847 1.00 0.00 C ATOM 1091 C PHE A 74 14.027 10.536 -3.554 1.00 0.00 C ATOM 1092 O PHE A 74 14.520 10.829 -2.468 1.00 0.00 O ATOM 1093 CB PHE A 74 15.038 9.589 -5.637 1.00 0.00 C ATOM 1094 CG PHE A 74 15.351 9.835 -7.085 1.00 0.00 C ATOM 1095 CD1 PHE A 74 16.247 10.824 -7.455 1.00 0.00 C ATOM 1096 CD2 PHE A 74 14.748 9.076 -8.076 1.00 0.00 C ATOM 1097 CE1 PHE A 74 16.538 11.053 -8.786 1.00 0.00 C ATOM 1098 CE2 PHE A 74 15.036 9.300 -9.409 1.00 0.00 C ATOM 1099 CZ PHE A 74 15.931 10.290 -9.764 1.00 0.00 C ATOM 0 H PHE A 74 16.850 11.009 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 74 14.133 11.522 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.874 9.062 -5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.170 8.933 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.724 11.424 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.046 8.302 -7.804 1.00 0.00 H new ATOM 0 HE1 PHE A 74 17.239 11.827 -9.061 1.00 0.00 H new ATOM 0 HE2 PHE A 74 14.562 8.701 -10.172 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.156 10.467 -10.805 1.00 0.00 H new ATOM 1109 N LYS A 75 12.854 9.923 -3.670 1.00 0.00 N ATOM 1110 CA LYS A 75 12.078 9.558 -2.490 1.00 0.00 C ATOM 1111 C LYS A 75 11.141 8.389 -2.778 1.00 0.00 C ATOM 1112 O LYS A 75 10.128 8.537 -3.464 1.00 0.00 O ATOM 1113 CB LYS A 75 11.263 10.749 -1.982 1.00 0.00 C ATOM 1114 CG LYS A 75 12.073 12.019 -1.783 1.00 0.00 C ATOM 1115 CD LYS A 75 11.470 12.897 -0.697 1.00 0.00 C ATOM 1116 CE LYS A 75 11.010 14.238 -1.247 1.00 0.00 C ATOM 1117 NZ LYS A 75 12.158 15.118 -1.604 1.00 0.00 N ATOM 0 H LYS A 75 12.423 9.670 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 75 12.788 9.255 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.458 10.952 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.795 10.478 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.098 11.761 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.117 12.575 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.625 12.382 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.207 13.060 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.390 14.075 -2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.386 14.739 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.801 16.022 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.736 15.295 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.740 14.652 -2.329 1.00 0.00 H new ATOM 1131 N VAL A 76 11.479 7.234 -2.224 1.00 0.00 N ATOM 1132 CA VAL A 76 10.673 6.026 -2.381 1.00 0.00 C ATOM 1133 C VAL A 76 9.963 5.739 -1.107 1.00 0.00 C ATOM 1134 O VAL A 76 9.486 4.627 -0.880 1.00 0.00 O ATOM 1135 CB VAL A 76 11.561 4.809 -2.692 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.131 4.931 -4.097 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.673 4.779 -1.648 1.00 0.00 C ATOM 0 H VAL A 76 12.315 7.105 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 76 9.973 6.195 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 76 10.988 3.882 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.759 4.066 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.315 4.974 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.728 5.840 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.326 3.927 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.253 5.700 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.236 4.689 -0.653 1.00 0.00 H new ATOM 1147 N GLU A 77 9.946 6.740 -0.258 1.00 0.00 N ATOM 1148 CA GLU A 77 9.348 6.587 1.056 1.00 0.00 C ATOM 1149 C GLU A 77 9.495 5.129 1.406 1.00 0.00 C ATOM 1150 O GLU A 77 8.571 4.486 1.893 1.00 0.00 O ATOM 1151 CB GLU A 77 7.875 6.997 1.035 1.00 0.00 C ATOM 1152 CG GLU A 77 7.396 7.481 -0.323 1.00 0.00 C ATOM 1153 CD GLU A 77 7.792 8.916 -0.605 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.575 9.775 0.275 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.320 9.181 -1.705 1.00 0.00 O ATOM 0 H GLU A 77 10.335 7.664 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 77 9.835 7.225 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.266 6.147 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.716 7.787 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.806 6.836 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.311 7.391 -0.374 1.00 0.00 H new ATOM 1162 N ASN A 78 10.672 4.614 1.047 1.00 0.00 N ATOM 1163 CA ASN A 78 10.987 3.211 1.188 1.00 0.00 C ATOM 1164 C ASN A 78 9.847 2.529 1.889 1.00 0.00 C ATOM 1165 O ASN A 78 9.930 2.142 3.053 1.00 0.00 O ATOM 1166 CB ASN A 78 12.303 2.949 1.888 1.00 0.00 C ATOM 1167 CG ASN A 78 12.652 1.498 1.690 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.958 1.071 0.580 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.597 0.734 2.757 1.00 0.00 N ATOM 0 H ASN A 78 11.430 5.169 0.650 1.00 0.00 H new ATOM 0 HA ASN A 78 11.116 2.797 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.086 3.589 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.223 3.181 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.338 1.135 3.658 1.00 0.00 H new ATOM 1174 N HIS A 79 8.758 2.466 1.155 1.00 0.00 N ATOM 1175 CA HIS A 79 7.518 1.922 1.640 1.00 0.00 C ATOM 1176 C HIS A 79 7.686 0.724 2.533 1.00 0.00 C ATOM 1177 O HIS A 79 8.241 -0.308 2.162 1.00 0.00 O ATOM 1178 CB HIS A 79 6.593 1.605 0.482 1.00 0.00 C ATOM 1179 CG HIS A 79 6.210 2.838 -0.236 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.318 2.897 -1.271 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.652 4.094 -0.037 1.00 0.00 C ATOM 1182 CE1 HIS A 79 5.249 4.173 -1.676 1.00 0.00 C ATOM 1183 NE2 HIS A 79 6.042 4.945 -0.955 1.00 0.00 N ATOM 0 H HIS A 79 8.713 2.797 0.191 1.00 0.00 H new ATOM 0 HA HIS A 79 7.070 2.695 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.086 0.917 -0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.700 1.102 0.852 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.799 2.112 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.366 4.394 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.627 4.524 -2.486 1.00 0.00 H new ATOM 1191 N THR A 80 7.158 0.890 3.716 1.00 0.00 N ATOM 1192 CA THR A 80 7.175 -0.146 4.726 1.00 0.00 C ATOM 1193 C THR A 80 5.762 -0.692 4.909 1.00 0.00 C ATOM 1194 O THR A 80 5.555 -1.729 5.538 1.00 0.00 O ATOM 1195 CB THR A 80 7.732 0.418 6.027 1.00 0.00 C ATOM 1196 OG1 THR A 80 6.714 1.054 6.780 1.00 0.00 O ATOM 1197 CG2 THR A 80 8.837 1.424 5.781 1.00 0.00 C ATOM 0 H THR A 80 6.700 1.752 4.013 1.00 0.00 H new ATOM 0 HA THR A 80 7.820 -0.967 4.415 1.00 0.00 H new ATOM 0 HB THR A 80 8.136 -0.430 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.967 1.285 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.205 1.801 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.653 0.943 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.449 2.253 5.189 1.00 0.00 H new ATOM 1205 N ALA A 81 4.796 0.022 4.326 1.00 0.00 N ATOM 1206 CA ALA A 81 3.398 -0.362 4.380 1.00 0.00 C ATOM 1207 C ALA A 81 2.588 0.548 3.467 1.00 0.00 C ATOM 1208 O ALA A 81 2.877 1.737 3.370 1.00 0.00 O ATOM 1209 CB ALA A 81 2.880 -0.285 5.808 1.00 0.00 C ATOM 0 H ALA A 81 4.969 0.882 3.805 1.00 0.00 H new ATOM 0 HA ALA A 81 3.295 -1.392 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.830 -0.576 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.457 -0.959 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.981 0.736 6.177 1.00 0.00 H new ATOM 1215 N CYS A 82 1.587 -0.005 2.791 1.00 0.00 N ATOM 1216 CA CYS A 82 0.754 0.787 1.889 1.00 0.00 C ATOM 1217 C CYS A 82 -0.707 0.731 2.324 1.00 0.00 C ATOM 1218 O CYS A 82 -1.167 -0.282 2.852 1.00 0.00 O ATOM 1219 CB CYS A 82 0.906 0.304 0.444 1.00 0.00 C ATOM 1220 SG CYS A 82 2.341 1.021 -0.429 1.00 0.00 S ATOM 0 H CYS A 82 1.333 -0.991 2.848 1.00 0.00 H new ATOM 0 HA CYS A 82 1.088 1.823 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.998 -0.782 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.002 0.548 -0.108 1.00 0.00 H new ATOM 1225 N HIS A 83 -1.430 1.829 2.117 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.834 1.902 2.510 1.00 0.00 C ATOM 1227 C HIS A 83 -3.685 2.600 1.449 1.00 0.00 C ATOM 1228 O HIS A 83 -3.531 3.796 1.204 1.00 0.00 O ATOM 1229 CB HIS A 83 -2.963 2.647 3.838 1.00 0.00 C ATOM 1230 CG HIS A 83 -2.515 4.073 3.760 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -3.215 5.116 4.329 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -1.434 4.628 3.165 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -2.583 6.251 4.087 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -1.500 5.981 3.383 1.00 0.00 N ATOM 0 H HIS A 83 -1.068 2.677 1.681 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.200 0.881 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.002 2.617 4.165 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.375 2.129 4.596 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.085 5.026 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.663 4.104 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.899 7.232 4.410 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.591 1.844 0.836 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.482 2.381 -0.190 1.00 0.00 C ATOM 1245 C CYS A 84 -6.621 3.180 0.444 1.00 0.00 C ATOM 1246 O CYS A 84 -7.684 2.634 0.738 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.059 1.243 -1.037 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.535 1.267 -2.784 1.00 0.00 S ATOM 0 H CYS A 84 -4.729 0.853 1.033 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.902 3.047 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.765 0.291 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.147 1.291 -0.996 1.00 0.00 H new ATOM 1253 N SER A 85 -6.392 4.474 0.649 1.00 0.00 N ATOM 1254 CA SER A 85 -7.403 5.344 1.245 1.00 0.00 C ATOM 1255 C SER A 85 -6.765 6.589 1.858 1.00 0.00 C ATOM 1256 O SER A 85 -6.328 6.572 3.010 1.00 0.00 O ATOM 1257 CB SER A 85 -8.201 4.586 2.311 1.00 0.00 C ATOM 1258 OG SER A 85 -7.359 3.738 3.071 1.00 0.00 O ATOM 0 H SER A 85 -5.518 4.943 0.412 1.00 0.00 H new ATOM 0 HA SER A 85 -8.081 5.661 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.698 5.297 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.982 3.995 1.833 1.00 0.00 H new ATOM 0 HG SER A 85 -7.382 2.833 2.696 1.00 0.00 H new ATOM 1264 N THR A 86 -6.717 7.668 1.081 1.00 0.00 N ATOM 1265 CA THR A 86 -6.136 8.926 1.546 1.00 0.00 C ATOM 1266 C THR A 86 -6.005 9.924 0.398 1.00 0.00 C ATOM 1267 O THR A 86 -4.958 10.544 0.221 1.00 0.00 O ATOM 1268 CB THR A 86 -4.763 8.680 2.177 1.00 0.00 C ATOM 1269 OG1 THR A 86 -4.142 9.905 2.522 1.00 0.00 O ATOM 1270 CG2 THR A 86 -3.813 7.924 1.274 1.00 0.00 C ATOM 0 H THR A 86 -7.074 7.697 0.126 1.00 0.00 H new ATOM 0 HA THR A 86 -6.804 9.346 2.298 1.00 0.00 H new ATOM 0 HB THR A 86 -4.959 8.073 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.041 10.458 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.860 7.785 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.240 6.951 1.030 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.654 8.491 0.357 1.00 0.00 H new ATOM 1278 N CYS A 87 -7.075 10.074 -0.378 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.073 10.998 -1.508 1.00 0.00 C ATOM 1280 C CYS A 87 -8.108 12.101 -1.315 1.00 0.00 C ATOM 1281 O CYS A 87 -9.286 11.829 -1.088 1.00 0.00 O ATOM 1282 CB CYS A 87 -7.352 10.248 -2.812 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.916 10.132 -3.928 1.00 0.00 S ATOM 0 H CYS A 87 -7.952 9.570 -0.246 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.085 11.456 -1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.695 9.241 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.167 10.746 -3.337 1.00 0.00 H new ATOM 1288 N TYR A 88 -7.659 13.348 -1.412 1.00 0.00 N ATOM 1289 CA TYR A 88 -8.543 14.495 -1.253 1.00 0.00 C ATOM 1290 C TYR A 88 -9.435 14.660 -2.478 1.00 0.00 C ATOM 1291 O TYR A 88 -9.237 15.565 -3.288 1.00 0.00 O ATOM 1292 CB TYR A 88 -7.724 15.767 -1.021 1.00 0.00 C ATOM 1293 CG TYR A 88 -8.205 16.588 0.152 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.315 17.414 0.034 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -7.551 16.537 1.376 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -9.760 18.167 1.104 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -7.989 17.286 2.450 1.00 0.00 C ATOM 1298 CZ TYR A 88 -9.094 18.100 2.310 1.00 0.00 C ATOM 1299 OH TYR A 88 -9.533 18.847 3.377 1.00 0.00 O ATOM 0 H TYR A 88 -6.686 13.589 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.178 14.322 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.681 15.494 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.757 16.380 -1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.839 17.469 -0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.686 15.901 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.625 18.805 0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.469 17.235 3.395 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.954 18.684 4.151 1.00 0.00 H new ATOM 1309 N TYR A 89 -10.414 13.770 -2.609 1.00 0.00 N ATOM 1310 CA TYR A 89 -11.337 13.803 -3.738 1.00 0.00 C ATOM 1311 C TYR A 89 -12.596 14.600 -3.406 1.00 0.00 C ATOM 1312 O TYR A 89 -12.652 15.308 -2.401 1.00 0.00 O ATOM 1313 CB TYR A 89 -11.715 12.378 -4.145 1.00 0.00 C ATOM 1314 CG TYR A 89 -11.211 11.989 -5.515 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -11.868 12.411 -6.664 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -10.076 11.203 -5.660 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -11.408 12.060 -7.918 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -9.610 10.847 -6.910 1.00 0.00 C ATOM 1319 CZ TYR A 89 -10.278 11.279 -8.036 1.00 0.00 C ATOM 1320 OH TYR A 89 -9.816 10.926 -9.283 1.00 0.00 O ATOM 0 H TYR A 89 -10.589 13.015 -1.945 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.834 14.298 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -11.316 11.680 -3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.800 12.278 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -12.753 13.024 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.549 10.864 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.931 12.396 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.727 10.233 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.011 10.376 -9.190 1.00 0.00 H new ATOM 1330 N HIS A 90 -13.603 14.477 -4.264 1.00 0.00 N ATOM 1331 CA HIS A 90 -14.865 15.182 -4.074 1.00 0.00 C ATOM 1332 C HIS A 90 -16.042 14.307 -4.492 1.00 0.00 C ATOM 1333 O HIS A 90 -16.683 14.556 -5.514 1.00 0.00 O ATOM 1334 CB HIS A 90 -14.867 16.484 -4.876 1.00 0.00 C ATOM 1335 CG HIS A 90 -16.152 17.245 -4.780 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -17.283 16.903 -5.489 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -16.482 18.338 -4.053 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -18.254 17.752 -5.203 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -17.794 18.632 -4.334 1.00 0.00 N ATOM 0 H HIS A 90 -13.569 13.894 -5.100 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.970 15.417 -3.015 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.052 17.118 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -14.667 16.256 -5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -17.359 16.117 -6.134 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -15.835 18.878 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.254 17.730 -5.611 1.00 0.00 H new ATOM 1348 N LYS A 91 -16.318 13.282 -3.694 1.00 0.00 N ATOM 1349 CA LYS A 91 -17.416 12.365 -3.972 1.00 0.00 C ATOM 1350 C LYS A 91 -18.284 12.169 -2.734 1.00 0.00 C ATOM 1351 O LYS A 91 -19.362 12.754 -2.620 1.00 0.00 O ATOM 1352 CB LYS A 91 -16.876 11.014 -4.444 1.00 0.00 C ATOM 1353 CG LYS A 91 -16.924 10.833 -5.952 1.00 0.00 C ATOM 1354 CD LYS A 91 -17.284 9.405 -6.332 1.00 0.00 C ATOM 1355 CE LYS A 91 -18.712 9.311 -6.843 1.00 0.00 C ATOM 1356 NZ LYS A 91 -19.352 8.020 -6.470 1.00 0.00 N ATOM 0 H LYS A 91 -15.794 13.065 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.027 12.801 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.845 10.906 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.451 10.217 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.656 11.519 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.956 11.092 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.597 9.047 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.162 8.755 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.297 10.137 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.717 9.419 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.325 7.996 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.808 7.233 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.371 7.928 -5.434 1.00 0.00 H new ATOM 1370 N SER A 92 -17.806 11.345 -1.807 1.00 0.00 N ATOM 1371 CA SER A 92 -18.539 11.075 -0.575 1.00 0.00 C ATOM 1372 C SER A 92 -19.614 10.018 -0.803 1.00 0.00 C ATOM 1373 O SER A 92 -20.249 9.598 0.187 1.00 0.00 O ATOM 1374 CB SER A 92 -19.179 12.358 -0.045 1.00 0.00 C ATOM 1375 OG SER A 92 -20.590 12.308 -0.158 1.00 0.00 O ATOM 1376 OXT SER A 92 -19.814 9.620 -1.970 1.00 0.00 O ATOM 0 H SER A 92 -16.916 10.853 -1.885 1.00 0.00 H new ATOM 0 HA SER A 92 -17.831 10.698 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.900 12.503 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 92 -18.797 13.215 -0.600 1.00 0.00 H new ATOM 0 HG SER A 92 -20.849 12.460 -1.091 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.762 -0.688 2.631 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.059 -1.117 3.304 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.184 -2.632 3.318 1.00 0.00 C HETATM 1386 C4 NAG A 178 12.932 -3.266 3.903 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.695 -2.754 3.177 1.00 0.00 C HETATM 1388 C6 NAG A 178 10.399 -3.269 3.776 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.032 0.257 3.179 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.174 0.807 2.344 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.176 -0.557 2.574 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.305 -3.000 4.107 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.016 -4.700 3.753 1.00 0.00 O HETATM 1394 O5 NAG A 178 11.628 -1.328 3.233 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.273 -2.694 3.130 1.00 0.00 O HETATM 1396 O7 NAG A 178 15.931 0.572 4.365 1.00 0.00 O HETATM 0 HO6 NAG A 178 9.448 -1.747 2.950 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.389 -3.976 4.121 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.306 -0.789 1.589 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.776 -0.018 1.963 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.771 1.378 1.508 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.796 1.456 2.961 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.359 -4.354 3.685 1.00 0.00 H new HETATM 0 H61 NAG A 178 10.369 -3.037 4.841 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.794 -3.117 2.154 1.00 0.00 H new HETATM 0 H4 NAG A 178 12.856 -3.004 4.958 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.311 -2.984 2.294 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.056 -0.757 4.333 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.355 -5.467 4.703 1.00 0.00 C HETATM 1411 C2 NAG A 179 12.334 -6.927 4.264 1.00 0.00 C HETATM 1412 C3 NAG A 179 11.697 -7.792 5.337 1.00 0.00 C HETATM 1413 C4 NAG A 179 12.371 -7.557 6.676 1.00 0.00 C HETATM 1414 C5 NAG A 179 12.398 -6.069 7.008 1.00 0.00 C HETATM 1415 C6 NAG A 179 13.165 -5.773 8.281 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.940 -6.402 1.937 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.004 -6.468 0.742 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.570 -7.056 3.036 1.00 0.00 N HETATM 1419 O3 NAG A 179 11.834 -9.160 4.981 1.00 0.00 O HETATM 1420 O4 NAG A 179 11.633 -8.251 7.703 1.00 0.00 O HETATM 1421 O5 NAG A 179 13.032 -5.313 5.956 1.00 0.00 O HETATM 1422 O6 NAG A 179 13.205 -4.379 8.548 1.00 0.00 O HETATM 1423 O7 NAG A 179 12.995 -5.773 1.853 1.00 0.00 O HETATM 0 HO6 NAG A 179 13.116 -3.882 7.708 1.00 0.00 H new HETATM 0 HO3 NAG A 179 11.425 -9.721 5.673 1.00 0.00 H new HETATM 0 HN2 NAG A 179 10.743 -7.653 3.015 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.879 -7.506 0.435 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.035 -6.052 1.016 1.00 0.00 H new HETATM 0 H81 NAG A 179 11.426 -5.893 -0.083 1.00 0.00 H new HETATM 0 H62 NAG A 179 12.698 -6.292 9.118 1.00 0.00 H new HETATM 0 H61 NAG A 179 14.181 -6.158 8.194 1.00 0.00 H new HETATM 0 H5 NAG A 179 11.354 -5.781 7.128 1.00 0.00 H new HETATM 0 H4 NAG A 179 13.395 -7.928 6.624 1.00 0.00 H new HETATM 0 H3 NAG A 179 10.642 -7.530 5.419 1.00 0.00 H new HETATM 0 H2 NAG A 179 13.360 -7.256 4.100 1.00 0.00 H new HETATM 1437 C1 BMA A 180 12.366 -8.720 8.784 1.00 0.00 C HETATM 1438 C2 BMA A 180 11.455 -8.844 10.001 1.00 0.00 C HETATM 1439 C3 BMA A 180 12.214 -9.452 11.166 1.00 0.00 C HETATM 1440 C4 BMA A 180 12.859 -10.759 10.750 1.00 0.00 C HETATM 1441 C5 BMA A 180 13.713 -10.565 9.504 1.00 0.00 C HETATM 1442 C6 BMA A 180 14.272 -11.880 8.992 1.00 0.00 C HETATM 1443 O2 BMA A 180 10.353 -9.679 9.673 1.00 0.00 O HETATM 1444 O3 BMA A 180 11.308 -9.702 12.259 1.00 0.00 O HETATM 1445 O4 BMA A 180 13.682 -11.230 11.808 1.00 0.00 O HETATM 1446 O5 BMA A 180 12.939 -9.989 8.427 1.00 0.00 O HETATM 1447 O6 BMA A 180 13.217 -12.856 8.899 1.00 0.00 O HETATM 0 HO4 BMA A 180 13.841 -12.190 11.696 1.00 0.00 H new HETATM 0 HO2 BMA A 180 10.002 -10.093 10.489 1.00 0.00 H new HETATM 0 H62 BMA A 180 14.732 -11.734 8.015 1.00 0.00 H new HETATM 0 H61 BMA A 180 15.054 -12.239 9.662 1.00 0.00 H new HETATM 0 H5 BMA A 180 14.525 -9.900 9.799 1.00 0.00 H new HETATM 0 H4 BMA A 180 12.074 -11.482 10.529 1.00 0.00 H new HETATM 0 H3 BMA A 180 12.989 -8.752 11.479 1.00 0.00 H new HETATM 0 H2 BMA A 180 11.103 -7.853 10.286 1.00 0.00 H new HETATM 1457 C1 MAN A 181 11.494 -8.874 13.370 1.00 0.00 C HETATM 1458 C2 MAN A 181 10.767 -9.485 14.563 1.00 0.00 C HETATM 1459 C3 MAN A 181 9.259 -9.416 14.375 1.00 0.00 C HETATM 1460 C4 MAN A 181 8.828 -7.998 14.043 1.00 0.00 C HETATM 1461 C5 MAN A 181 9.618 -7.465 12.859 1.00 0.00 C HETATM 1462 C6 MAN A 181 9.310 -6.008 12.571 1.00 0.00 C HETATM 1463 O2 MAN A 181 11.122 -8.755 15.753 1.00 0.00 O HETATM 1464 O3 MAN A 181 8.621 -9.826 15.573 1.00 0.00 O HETATM 1465 O4 MAN A 181 7.444 -7.995 13.720 1.00 0.00 O HETATM 1466 O5 MAN A 181 11.033 -7.552 13.108 1.00 0.00 O HETATM 1467 O6 MAN A 181 10.062 -5.527 11.467 1.00 0.00 O HETATM 0 HO6 MAN A 181 10.919 -6.001 11.423 1.00 0.00 H new HETATM 0 HO4 MAN A 181 7.087 -7.088 13.819 1.00 0.00 H new HETATM 0 HO3 MAN A 181 9.294 -10.151 16.207 1.00 0.00 H new HETATM 0 H62 MAN A 181 8.246 -5.893 12.366 1.00 0.00 H new HETATM 0 H61 MAN A 181 9.531 -5.407 13.453 1.00 0.00 H new HETATM 0 H5 MAN A 181 9.327 -8.079 12.007 1.00 0.00 H new HETATM 0 H4 MAN A 181 9.015 -7.361 14.907 1.00 0.00 H new HETATM 0 H3 MAN A 181 8.977 -10.073 13.552 1.00 0.00 H new HETATM 0 H2 MAN A 181 11.061 -10.531 14.651 1.00 0.00 H new HETATM 1478 C1 MAN A 182 12.686 -12.910 7.611 1.00 0.00 C HETATM 1479 C2 MAN A 182 11.423 -13.766 7.641 1.00 0.00 C HETATM 1480 C3 MAN A 182 11.755 -15.241 7.829 1.00 0.00 C HETATM 1481 C4 MAN A 182 12.791 -15.685 6.814 1.00 0.00 C HETATM 1482 C5 MAN A 182 14.011 -14.785 6.883 1.00 0.00 C HETATM 1483 C6 MAN A 182 15.043 -15.125 5.827 1.00 0.00 C HETATM 1484 O2 MAN A 182 10.731 -13.605 6.396 1.00 0.00 O HETATM 1485 O3 MAN A 182 10.573 -16.011 7.654 1.00 0.00 O HETATM 1486 O4 MAN A 182 13.173 -17.025 7.088 1.00 0.00 O HETATM 1487 O5 MAN A 182 13.640 -13.413 6.675 1.00 0.00 O HETATM 1488 O6 MAN A 182 15.525 -16.452 5.983 1.00 0.00 O HETATM 0 HO6 MAN A 182 16.188 -16.643 5.287 1.00 0.00 H new HETATM 0 HO4 MAN A 182 14.114 -17.152 6.847 1.00 0.00 H new HETATM 0 HO3 MAN A 182 10.000 -15.583 6.984 1.00 0.00 H new HETATM 0 H62 MAN A 182 14.604 -15.010 4.836 1.00 0.00 H new HETATM 0 H61 MAN A 182 15.875 -14.424 5.890 1.00 0.00 H new HETATM 0 H5 MAN A 182 14.437 -14.939 7.874 1.00 0.00 H new HETATM 0 H4 MAN A 182 12.362 -15.621 5.814 1.00 0.00 H new HETATM 0 H3 MAN A 182 12.156 -15.387 8.832 1.00 0.00 H new HETATM 0 H2 MAN A 182 10.806 -13.443 8.479 1.00 0.00 H new HETATM 1499 C1 NAG A 183 9.605 -12.806 6.428 1.00 0.00 C HETATM 1500 C2 NAG A 183 9.037 -12.691 5.015 1.00 0.00 C HETATM 1501 C3 NAG A 183 7.751 -11.889 5.029 1.00 0.00 C HETATM 1502 C4 NAG A 183 6.774 -12.474 6.032 1.00 0.00 C HETATM 1503 C5 NAG A 183 7.444 -12.651 7.390 1.00 0.00 C HETATM 1504 C6 NAG A 183 6.564 -13.379 8.387 1.00 0.00 C HETATM 1505 C7 NAG A 183 10.636 -12.700 3.217 1.00 0.00 C HETATM 1506 C8 NAG A 183 11.834 -12.030 2.564 1.00 0.00 C HETATM 1507 N2 NAG A 183 10.009 -12.023 4.173 1.00 0.00 N HETATM 1508 O3 NAG A 183 7.167 -11.917 3.736 1.00 0.00 O HETATM 1509 O4 NAG A 183 5.656 -11.575 6.165 1.00 0.00 O HETATM 1510 O5 NAG A 183 8.650 -13.426 7.276 1.00 0.00 O HETATM 1511 O6 NAG A 183 5.537 -12.535 8.887 1.00 0.00 O HETATM 1512 O7 NAG A 183 10.286 -13.822 2.853 1.00 0.00 O HETATM 0 HO6 NAG A 183 4.986 -13.034 9.526 1.00 0.00 H new HETATM 0 HO3 NAG A 183 6.334 -11.401 3.742 1.00 0.00 H new HETATM 0 HN2 NAG A 183 10.212 -11.033 4.314 1.00 0.00 H new HETATM 0 H83 NAG A 183 11.520 -11.095 2.100 1.00 0.00 H new HETATM 0 H82 NAG A 183 12.592 -11.824 3.320 1.00 0.00 H new HETATM 0 H81 NAG A 183 12.250 -12.690 1.803 1.00 0.00 H new HETATM 0 H62 NAG A 183 6.119 -14.253 7.911 1.00 0.00 H new HETATM 0 H61 NAG A 183 7.173 -13.742 9.215 1.00 0.00 H new HETATM 0 H5 NAG A 183 7.647 -11.639 7.740 1.00 0.00 H new HETATM 0 H4 NAG A 183 6.438 -13.450 5.680 1.00 0.00 H new HETATM 0 H3 NAG A 183 7.978 -10.862 5.314 1.00 0.00 H new HETATM 0 H2 NAG A 183 8.825 -13.688 4.630 1.00 0.00 H new HETATM 1526 C1 NAG A 184 11.695 -9.488 16.780 1.00 0.00 C HETATM 1527 C2 NAG A 184 11.841 -8.600 18.016 1.00 0.00 C HETATM 1528 C3 NAG A 184 12.377 -9.413 19.182 1.00 0.00 C HETATM 1529 C4 NAG A 184 11.515 -10.641 19.408 1.00 0.00 C HETATM 1530 C5 NAG A 184 11.357 -11.434 18.115 1.00 0.00 C HETATM 1531 C6 NAG A 184 10.386 -12.592 18.266 1.00 0.00 C HETATM 1532 C7 NAG A 184 13.920 -7.362 18.328 1.00 0.00 C HETATM 1533 C8 NAG A 184 14.855 -6.288 17.796 1.00 0.00 C HETATM 1534 N2 NAG A 184 12.749 -7.502 17.704 1.00 0.00 N HETATM 1535 O3 NAG A 184 12.360 -8.611 20.355 1.00 0.00 O HETATM 1536 O4 NAG A 184 12.128 -11.478 20.412 1.00 0.00 O HETATM 1537 O5 NAG A 184 10.844 -10.600 17.058 1.00 0.00 O HETATM 1538 O6 NAG A 184 9.094 -12.136 18.640 1.00 0.00 O HETATM 1539 O7 NAG A 184 14.264 -8.042 19.293 1.00 0.00 O HETATM 0 HO6 NAG A 184 8.935 -11.249 18.254 1.00 0.00 H new HETATM 0 HO3 NAG A 184 13.228 -8.168 20.461 1.00 0.00 H new HETATM 0 HN2 NAG A 184 12.482 -6.824 16.990 1.00 0.00 H new HETATM 0 H83 NAG A 184 15.099 -6.501 16.755 1.00 0.00 H new HETATM 0 H82 NAG A 184 14.367 -5.315 17.863 1.00 0.00 H new HETATM 0 H81 NAG A 184 15.770 -6.276 18.388 1.00 0.00 H new HETATM 0 H62 NAG A 184 10.322 -13.141 17.327 1.00 0.00 H new HETATM 0 H61 NAG A 184 10.760 -13.288 19.017 1.00 0.00 H new HETATM 0 H5 NAG A 184 12.352 -11.809 17.877 1.00 0.00 H new HETATM 0 H4 NAG A 184 10.529 -10.319 19.742 1.00 0.00 H new HETATM 0 H3 NAG A 184 13.395 -9.730 18.956 1.00 0.00 H new HETATM 0 H2 NAG A 184 10.868 -8.198 18.298 1.00 0.00 H new HETATM 1553 C1 GAL A 185 12.973 -12.495 19.979 1.00 0.00 C HETATM 1554 C2 GAL A 185 14.302 -11.908 19.507 1.00 0.00 C HETATM 1555 C3 GAL A 185 15.299 -13.011 19.200 1.00 0.00 C HETATM 1556 C4 GAL A 185 15.407 -13.981 20.362 1.00 0.00 C HETATM 1557 C5 GAL A 185 14.032 -14.485 20.768 1.00 0.00 C HETATM 1558 C6 GAL A 185 14.080 -15.373 21.997 1.00 0.00 C HETATM 1559 O2 GAL A 185 14.088 -11.148 18.326 1.00 0.00 O HETATM 1560 O3 GAL A 185 16.574 -12.433 18.958 1.00 0.00 O HETATM 1561 O4 GAL A 185 16.006 -13.317 21.466 1.00 0.00 O HETATM 1562 O5 GAL A 185 13.160 -13.388 21.086 1.00 0.00 O HETATM 1563 O6 GAL A 185 12.783 -15.823 22.360 1.00 0.00 O HETATM 0 HO6 GAL A 185 12.115 -15.170 22.064 1.00 0.00 H new HETATM 0 HO4 GAL A 185 15.308 -12.918 22.026 1.00 0.00 H new HETATM 0 HO3 GAL A 185 17.103 -12.451 19.783 1.00 0.00 H new HETATM 0 HO2 GAL A 185 14.939 -10.769 18.022 1.00 0.00 H new HETATM 0 H62 GAL A 185 14.724 -16.231 21.803 1.00 0.00 H new HETATM 0 H61 GAL A 185 14.522 -14.824 22.828 1.00 0.00 H new HETATM 0 H5 GAL A 185 13.664 -15.054 19.914 1.00 0.00 H new HETATM 0 H4 GAL A 185 16.016 -14.832 20.056 1.00 0.00 H new HETATM 0 H3 GAL A 185 14.955 -13.556 18.321 1.00 0.00 H new HETATM 0 H2 GAL A 185 14.701 -11.277 20.301 1.00 0.00 H new HETATM 1575 C1 GAL A 186 4.410 -12.159 6.323 1.00 0.00 C HETATM 1576 C2 GAL A 186 3.331 -11.091 6.217 1.00 0.00 C HETATM 1577 C3 GAL A 186 1.950 -11.722 6.276 1.00 0.00 C HETATM 1578 C4 GAL A 186 1.834 -12.850 5.266 1.00 0.00 C HETATM 1579 C5 GAL A 186 2.988 -13.832 5.422 1.00 0.00 C HETATM 1580 C6 GAL A 186 2.977 -14.914 4.363 1.00 0.00 C HETATM 1581 O2 GAL A 186 3.473 -10.177 7.296 1.00 0.00 O HETATM 1582 O3 GAL A 186 0.973 -10.732 5.983 1.00 0.00 O HETATM 1583 O4 GAL A 186 1.861 -12.304 3.955 1.00 0.00 O HETATM 1584 O5 GAL A 186 4.254 -13.157 5.313 1.00 0.00 O HETATM 1585 O6 GAL A 186 3.075 -14.362 3.057 1.00 0.00 O HETATM 0 HO6 GAL A 186 3.067 -15.085 2.395 1.00 0.00 H new HETATM 0 HO4 GAL A 186 2.600 -12.703 3.450 1.00 0.00 H new HETATM 0 HO3 GAL A 186 0.762 -10.753 5.026 1.00 0.00 H new HETATM 0 HO2 GAL A 186 2.781 -9.486 7.232 1.00 0.00 H new HETATM 0 H62 GAL A 186 3.807 -15.600 4.533 1.00 0.00 H new HETATM 0 H61 GAL A 186 2.060 -15.497 4.446 1.00 0.00 H new HETATM 0 H5 GAL A 186 2.859 -14.280 6.407 1.00 0.00 H new HETATM 0 H4 GAL A 186 0.897 -13.380 5.437 1.00 0.00 H new HETATM 0 H3 GAL A 186 1.791 -12.127 7.275 1.00 0.00 H new HETATM 0 H2 GAL A 186 3.441 -10.571 5.265 1.00 0.00 H new