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 184 NAG O6 : rot -29:sc= 0.0159 USER MOD Set 1.2: A 185 GAL O6 : rot 180:sc= 0.868 USER MOD Set 2.1: A 85 SER OG : rot 67:sc= 0.022! USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 27 GLN : amide:sc= -2! C(o=-19!,f=-26!) USER MOD Set 3.2: A 79 HIS : no HD1:sc= -17.2! C(o=-19!,f=-21!) USER MOD Single : A 1 ALA N :NH3+ -141:sc= -3.52! (180deg=-7.02!) USER MOD Single : A 5 GLN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 11 THR OG1 : rot -92:sc= 1.21 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 15 ASN :FLIP amide:sc= -11.2! C(o=-13!,f=-11!) USER MOD Single : A 19 SER OG : rot 62:sc= -4.19! USER MOD Single : A 20 GLN : amide:sc= -1.63! C(o=-1.6!,f=-1.6!) 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 57:sc= 0.28 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -0.428 (180deg=-1.02) USER MOD Single : A 46 THR OG1 : rot 32:sc= 0.636 USER MOD Single : A 47 MET CE :methyl 139:sc= -2.8 (180deg=-4.66!) USER MOD Single : A 50 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.12! C(o=-2.1!,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.363 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0421 (180deg=-0.3) USER MOD Single : A 64 SER OG : rot 180:sc= -1.08 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 168:sc= -0.329 (180deg=-0.725) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc=-0.00777 (180deg=-0.167) USER MOD Single : A 80 THR OG1 : rot 130:sc= -2.32! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.91 F(o=-2.4!,f=-1.9) 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= -2.9 K(o=-2.9,f=-6.4!) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc=-0.00477 (180deg=-0.116) USER MOD Single : A 92 SER OG : rot -65:sc= 0.707 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 31:sc= 0.00144 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot 31:sc= 0.00782 USER MOD Single : A 180 BMA O2 : rot -40:sc= -4.41! USER MOD Single : A 180 BMA O4 : rot -142:sc= 1.08 USER MOD Single : A 181 MAN O3 : rot -17:sc= 1.24 USER MOD Single : A 181 MAN O4 : rot -154:sc= 1.06 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.919 USER MOD Single : A 182 MAN O3 : rot 30:sc= 0.0647 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 27:sc= 0.00373 USER MOD Single : A 183 NAG O3 : rot -83:sc= 0.0129 USER MOD Single : A 183 NAG O6 : rot -37:sc= 0.14 USER MOD Single : A 184 NAG O3 : rot 150:sc= 0.00483 USER MOD Single : A 185 GAL O2 : rot 180:sc= 0 USER MOD Single : A 185 GAL O3 : rot 95:sc= 0.056 USER MOD Single : A 185 GAL O4 : rot 129:sc= 1.22 USER MOD Single : A 186 GAL O2 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 90:sc= 0.0891 USER MOD Single : A 186 GAL O4 : rot 130:sc= 1.22 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.931 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.821 -8.462 -23.839 1.00 0.00 N ATOM 2 CA ALA A 1 1.032 -9.273 -24.803 1.00 0.00 C ATOM 3 C ALA A 1 -0.153 -9.943 -24.114 1.00 0.00 C ATOM 4 O ALA A 1 -1.273 -9.925 -24.625 1.00 0.00 O ATOM 5 CB ALA A 1 1.921 -10.319 -25.462 1.00 0.00 C ATOM 0 H1 ALA A 1 2.133 -7.583 -24.299 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.231 -8.231 -23.014 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.653 -9.004 -23.529 1.00 0.00 H new ATOM 0 HA ALA A 1 0.643 -8.605 -25.571 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.331 -10.906 -26.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.733 -9.823 -25.994 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.336 -10.977 -24.699 1.00 0.00 H new ATOM 13 N PRO A 2 0.084 -10.549 -22.940 1.00 0.00 N ATOM 14 CA PRO A 2 -0.956 -11.233 -22.178 1.00 0.00 C ATOM 15 C PRO A 2 -1.761 -10.281 -21.298 1.00 0.00 C ATOM 16 O PRO A 2 -2.971 -10.133 -21.473 1.00 0.00 O ATOM 17 CB PRO A 2 -0.157 -12.213 -21.322 1.00 0.00 C ATOM 18 CG PRO A 2 1.170 -11.560 -21.111 1.00 0.00 C ATOM 19 CD PRO A 2 1.394 -10.619 -22.272 1.00 0.00 C ATOM 0 HA PRO A 2 -1.698 -11.705 -22.822 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.657 -12.404 -20.372 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.047 -13.174 -21.824 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.185 -11.016 -20.166 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.963 -12.306 -21.062 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.720 -9.636 -21.931 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.165 -10.994 -22.945 1.00 0.00 H new ATOM 27 N ASP A 3 -1.087 -9.639 -20.350 1.00 0.00 N ATOM 28 CA ASP A 3 -1.746 -8.706 -19.443 1.00 0.00 C ATOM 29 C ASP A 3 -1.152 -7.306 -19.568 1.00 0.00 C ATOM 30 O ASP A 3 -0.315 -7.050 -20.434 1.00 0.00 O ATOM 31 CB ASP A 3 -1.626 -9.191 -17.994 1.00 0.00 C ATOM 32 CG ASP A 3 -0.992 -10.563 -17.886 1.00 0.00 C ATOM 33 OD1 ASP A 3 0.142 -10.734 -18.380 1.00 0.00 O ATOM 34 OD2 ASP A 3 -1.628 -11.469 -17.303 1.00 0.00 O ATOM 0 H ASP A 3 -0.086 -9.747 -20.190 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.799 -8.662 -19.720 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.033 -8.476 -17.424 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.617 -9.217 -17.541 1.00 0.00 H new ATOM 39 N VAL A 4 -1.592 -6.406 -18.694 1.00 0.00 N ATOM 40 CA VAL A 4 -1.110 -5.028 -18.693 1.00 0.00 C ATOM 41 C VAL A 4 -2.019 -4.142 -17.850 1.00 0.00 C ATOM 42 O VAL A 4 -3.078 -3.715 -18.308 1.00 0.00 O ATOM 43 CB VAL A 4 -1.026 -4.450 -20.119 1.00 0.00 C ATOM 44 CG1 VAL A 4 -2.337 -4.662 -20.859 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.662 -2.973 -20.074 1.00 0.00 C ATOM 0 H VAL A 4 -2.285 -6.607 -17.973 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.108 -5.042 -18.265 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.241 -4.978 -20.661 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.259 -4.247 -21.864 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.551 -5.729 -20.922 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.143 -4.162 -20.322 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.607 -2.581 -21.089 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.423 -2.428 -19.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.305 -2.851 -19.585 1.00 0.00 H new ATOM 55 N GLN A 5 -1.596 -3.880 -16.614 1.00 0.00 N ATOM 56 CA GLN A 5 -2.363 -3.052 -15.685 1.00 0.00 C ATOM 57 C GLN A 5 -3.166 -3.921 -14.724 1.00 0.00 C ATOM 58 O GLN A 5 -4.382 -4.059 -14.864 1.00 0.00 O ATOM 59 CB GLN A 5 -3.304 -2.111 -16.438 1.00 0.00 C ATOM 60 CG GLN A 5 -3.940 -1.053 -15.553 1.00 0.00 C ATOM 61 CD GLN A 5 -5.236 -0.516 -16.128 1.00 0.00 C ATOM 62 OE1 GLN A 5 -5.863 -1.152 -16.976 1.00 0.00 O ATOM 63 NE2 GLN A 5 -5.643 0.660 -15.670 1.00 0.00 N ATOM 0 H GLN A 5 -0.719 -4.233 -16.231 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.654 -2.453 -15.113 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.750 -1.619 -17.237 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.091 -2.699 -16.911 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.132 -1.476 -14.567 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.239 -0.230 -15.416 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.092 1.152 -14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.507 1.072 -16.021 1.00 0.00 H new ATOM 72 N ASP A 6 -2.478 -4.505 -13.748 1.00 0.00 N ATOM 73 CA ASP A 6 -3.126 -5.363 -12.763 1.00 0.00 C ATOM 74 C ASP A 6 -2.385 -5.308 -11.431 1.00 0.00 C ATOM 75 O ASP A 6 -1.204 -4.961 -11.382 1.00 0.00 O ATOM 76 CB ASP A 6 -3.185 -6.804 -13.273 1.00 0.00 C ATOM 77 CG ASP A 6 -1.980 -7.622 -12.852 1.00 0.00 C ATOM 78 OD1 ASP A 6 -1.846 -7.902 -11.642 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.170 -7.981 -13.732 1.00 0.00 O ATOM 0 H ASP A 6 -1.472 -4.400 -13.618 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.142 -5.001 -12.608 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.091 -7.281 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.253 -6.798 -14.361 1.00 0.00 H new ATOM 84 N CYS A 7 -3.082 -5.654 -10.354 1.00 0.00 N ATOM 85 CA CYS A 7 -2.485 -5.643 -9.025 1.00 0.00 C ATOM 86 C CYS A 7 -3.513 -6.003 -7.957 1.00 0.00 C ATOM 87 O CYS A 7 -4.656 -5.545 -7.999 1.00 0.00 O ATOM 88 CB CYS A 7 -1.885 -4.270 -8.724 1.00 0.00 C ATOM 89 SG CYS A 7 -2.960 -2.873 -9.191 1.00 0.00 S ATOM 0 H CYS A 7 -4.059 -5.945 -10.376 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.694 -6.393 -9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.666 -4.206 -7.658 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.935 -4.176 -9.251 1.00 0.00 H new ATOM 94 N PRO A 8 -3.115 -6.829 -6.977 1.00 0.00 N ATOM 95 CA PRO A 8 -3.991 -7.252 -5.887 1.00 0.00 C ATOM 96 C PRO A 8 -4.166 -6.157 -4.841 1.00 0.00 C ATOM 97 O PRO A 8 -3.570 -6.213 -3.765 1.00 0.00 O ATOM 98 CB PRO A 8 -3.269 -8.465 -5.274 1.00 0.00 C ATOM 99 CG PRO A 8 -2.046 -8.694 -6.109 1.00 0.00 C ATOM 100 CD PRO A 8 -1.778 -7.414 -6.849 1.00 0.00 C ATOM 0 HA PRO A 8 -4.995 -7.483 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.000 -8.273 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.913 -9.344 -5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.196 -8.964 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.203 -9.518 -6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.102 -6.761 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.321 -7.597 -7.822 1.00 0.00 H new ATOM 108 N GLU A 9 -4.979 -5.157 -5.164 1.00 0.00 N ATOM 109 CA GLU A 9 -5.223 -4.046 -4.252 1.00 0.00 C ATOM 110 C GLU A 9 -3.925 -3.307 -3.947 1.00 0.00 C ATOM 111 O GLU A 9 -2.848 -3.902 -3.963 1.00 0.00 O ATOM 112 CB GLU A 9 -5.851 -4.553 -2.952 1.00 0.00 C ATOM 113 CG GLU A 9 -6.217 -3.443 -1.980 1.00 0.00 C ATOM 114 CD GLU A 9 -6.075 -3.863 -0.531 1.00 0.00 C ATOM 115 OE1 GLU A 9 -7.060 -4.378 0.038 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.977 -3.677 0.037 1.00 0.00 O ATOM 0 H GLU A 9 -5.480 -5.093 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.914 -3.355 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.747 -5.126 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.156 -5.237 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.581 -2.578 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.244 -3.129 -2.164 1.00 0.00 H new ATOM 123 N CYS A 10 -4.031 -2.009 -3.663 1.00 0.00 N ATOM 124 CA CYS A 10 -2.855 -1.200 -3.351 1.00 0.00 C ATOM 125 C CYS A 10 -1.790 -2.051 -2.671 1.00 0.00 C ATOM 126 O CYS A 10 -2.052 -2.679 -1.646 1.00 0.00 O ATOM 127 CB CYS A 10 -3.234 -0.034 -2.436 1.00 0.00 C ATOM 128 SG CYS A 10 -3.930 -0.545 -0.831 1.00 0.00 S ATOM 0 H CYS A 10 -4.914 -1.499 -3.643 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.457 -0.806 -4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.349 0.577 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.959 0.597 -2.950 1.00 0.00 H new ATOM 133 N THR A 11 -0.589 -2.079 -3.239 1.00 0.00 N ATOM 134 CA THR A 11 0.487 -2.867 -2.659 1.00 0.00 C ATOM 135 C THR A 11 1.844 -2.323 -3.028 1.00 0.00 C ATOM 136 O THR A 11 1.989 -1.544 -3.968 1.00 0.00 O ATOM 137 CB THR A 11 0.419 -4.315 -3.119 1.00 0.00 C ATOM 138 OG1 THR A 11 -0.317 -4.434 -4.323 1.00 0.00 O ATOM 139 CG2 THR A 11 -0.208 -5.232 -2.106 1.00 0.00 C ATOM 0 H THR A 11 -0.340 -1.572 -4.088 1.00 0.00 H new ATOM 0 HA THR A 11 0.355 -2.810 -1.578 1.00 0.00 H new ATOM 0 HB THR A 11 1.457 -4.615 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.258 -4.612 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.225 -6.249 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.373 -5.208 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.227 -4.905 -1.901 1.00 0.00 H new ATOM 147 N LEU A 12 2.841 -2.779 -2.290 1.00 0.00 N ATOM 148 CA LEU A 12 4.211 -2.384 -2.529 1.00 0.00 C ATOM 149 C LEU A 12 4.691 -2.944 -3.845 1.00 0.00 C ATOM 150 O LEU A 12 4.707 -4.159 -4.043 1.00 0.00 O ATOM 151 CB LEU A 12 5.101 -2.896 -1.418 1.00 0.00 C ATOM 152 CG LEU A 12 5.352 -1.908 -0.295 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.583 -2.322 0.950 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.838 -1.838 -0.031 1.00 0.00 C ATOM 0 H LEU A 12 2.721 -3.430 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 12 4.257 -1.295 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.652 -3.796 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.060 -3.189 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 12 4.999 -0.917 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.771 -1.605 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.516 -2.346 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.910 -3.312 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.031 -1.130 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.203 -2.824 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.353 -1.509 -0.934 1.00 0.00 H new ATOM 166 N GLN A 13 5.084 -2.068 -4.747 1.00 0.00 N ATOM 167 CA GLN A 13 5.562 -2.519 -6.030 1.00 0.00 C ATOM 168 C GLN A 13 7.035 -2.267 -6.169 1.00 0.00 C ATOM 169 O GLN A 13 7.498 -1.596 -7.091 1.00 0.00 O ATOM 170 CB GLN A 13 4.788 -1.866 -7.136 1.00 0.00 C ATOM 171 CG GLN A 13 3.291 -1.992 -6.933 1.00 0.00 C ATOM 172 CD GLN A 13 2.597 -2.721 -8.066 1.00 0.00 C ATOM 173 OE1 GLN A 13 2.725 -2.348 -9.232 1.00 0.00 O ATOM 174 NE2 GLN A 13 1.855 -3.769 -7.721 1.00 0.00 N ATOM 0 H GLN A 13 5.081 -1.056 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 13 5.405 -3.595 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.058 -0.812 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.064 -2.319 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.100 -2.520 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.859 -0.996 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.780 -4.040 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.361 -4.302 -8.437 1.00 0.00 H new ATOM 183 N GLU A 14 7.735 -2.824 -5.214 1.00 0.00 N ATOM 184 CA GLU A 14 9.186 -2.721 -5.117 1.00 0.00 C ATOM 185 C GLU A 14 9.744 -1.842 -6.207 1.00 0.00 C ATOM 186 O GLU A 14 9.560 -2.095 -7.396 1.00 0.00 O ATOM 187 CB GLU A 14 9.849 -4.086 -5.182 1.00 0.00 C ATOM 188 CG GLU A 14 11.362 -4.029 -5.049 1.00 0.00 C ATOM 189 CD GLU A 14 12.055 -5.201 -5.716 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.350 -6.067 -6.275 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.303 -5.253 -5.676 1.00 0.00 O ATOM 0 H GLU A 14 7.314 -3.373 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 14 9.405 -2.272 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.445 -4.716 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.593 -4.562 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.726 -3.100 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.629 -4.008 -3.992 1.00 0.00 H new ATOM 198 N ASN A 15 10.420 -0.811 -5.777 1.00 0.00 N ATOM 199 CA ASN A 15 11.013 0.146 -6.679 1.00 0.00 C ATOM 200 C ASN A 15 11.808 -0.535 -7.775 1.00 0.00 C ATOM 201 O ASN A 15 12.967 -0.901 -7.578 1.00 0.00 O ATOM 202 CB ASN A 15 11.901 1.115 -5.919 1.00 0.00 C ATOM 203 CG ASN A 15 11.523 2.547 -6.199 1.00 0.00 C ATOM 204 OD1 ASN A 15 10.241 2.842 -6.048 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 12.365 3.375 -6.544 1.00 0.00 N flip ATOM 0 H ASN A 15 10.577 -0.608 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 15 10.199 0.699 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.823 0.919 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.942 0.951 -6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.341 3.097 -6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.087 4.339 -6.728 1.00 0.00 H new ATOM 212 N PRO A 16 11.213 -0.680 -8.968 1.00 0.00 N ATOM 213 CA PRO A 16 11.902 -1.283 -10.105 1.00 0.00 C ATOM 214 C PRO A 16 13.047 -0.387 -10.546 1.00 0.00 C ATOM 215 O PRO A 16 13.722 -0.637 -11.544 1.00 0.00 O ATOM 216 CB PRO A 16 10.819 -1.368 -11.185 1.00 0.00 C ATOM 217 CG PRO A 16 9.829 -0.315 -10.813 1.00 0.00 C ATOM 218 CD PRO A 16 9.852 -0.233 -9.312 1.00 0.00 C ATOM 0 HA PRO A 16 12.339 -2.256 -9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.234 -1.189 -12.177 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.358 -2.355 -11.206 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.093 0.644 -11.260 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.833 -0.571 -11.174 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.661 0.781 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.093 -0.873 -8.863 1.00 0.00 H new ATOM 226 N PHE A 17 13.238 0.665 -9.762 1.00 0.00 N ATOM 227 CA PHE A 17 14.273 1.653 -9.993 1.00 0.00 C ATOM 228 C PHE A 17 15.432 1.447 -9.028 1.00 0.00 C ATOM 229 O PHE A 17 16.580 1.273 -9.438 1.00 0.00 O ATOM 230 CB PHE A 17 13.690 3.050 -9.794 1.00 0.00 C ATOM 231 CG PHE A 17 14.406 4.109 -10.568 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.655 3.859 -11.104 1.00 0.00 C ATOM 233 CD2 PHE A 17 13.823 5.347 -10.771 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.315 4.829 -11.835 1.00 0.00 C ATOM 235 CE2 PHE A 17 14.477 6.324 -11.497 1.00 0.00 C ATOM 236 CZ PHE A 17 15.725 6.063 -12.032 1.00 0.00 C ATOM 0 H PHE A 17 12.669 0.855 -8.937 1.00 0.00 H new ATOM 0 HA PHE A 17 14.642 1.545 -11.013 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.640 3.043 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.722 3.301 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.120 2.896 -10.950 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.846 5.552 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.290 4.623 -12.251 1.00 0.00 H new ATOM 0 HE2 PHE A 17 14.015 7.289 -11.646 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.238 6.823 -12.603 1.00 0.00 H new ATOM 246 N PHE A 18 15.115 1.476 -7.738 1.00 0.00 N ATOM 247 CA PHE A 18 16.114 1.302 -6.695 1.00 0.00 C ATOM 248 C PHE A 18 16.310 -0.173 -6.367 1.00 0.00 C ATOM 249 O PHE A 18 17.148 -0.531 -5.540 1.00 0.00 O ATOM 250 CB PHE A 18 15.701 2.081 -5.450 1.00 0.00 C ATOM 251 CG PHE A 18 15.061 3.401 -5.778 1.00 0.00 C ATOM 252 CD1 PHE A 18 15.291 3.997 -7.006 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.241 4.046 -4.868 1.00 0.00 C ATOM 254 CE1 PHE A 18 14.715 5.212 -7.323 1.00 0.00 C ATOM 255 CE2 PHE A 18 13.663 5.264 -5.179 1.00 0.00 C ATOM 256 CZ PHE A 18 13.901 5.847 -6.407 1.00 0.00 C ATOM 0 H PHE A 18 14.167 1.619 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 18 17.066 1.690 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.005 1.480 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.578 2.252 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.929 3.506 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.051 3.594 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.901 5.664 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.026 5.758 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 18 13.451 6.798 -6.651 1.00 0.00 H new ATOM 266 N SER A 19 15.531 -1.024 -7.026 1.00 0.00 N ATOM 267 CA SER A 19 15.621 -2.463 -6.811 1.00 0.00 C ATOM 268 C SER A 19 17.017 -2.970 -7.148 1.00 0.00 C ATOM 269 O SER A 19 17.278 -3.407 -8.269 1.00 0.00 O ATOM 270 CB SER A 19 14.581 -3.197 -7.658 1.00 0.00 C ATOM 271 OG SER A 19 13.353 -3.319 -6.961 1.00 0.00 O ATOM 0 H SER A 19 14.831 -0.742 -7.713 1.00 0.00 H new ATOM 0 HA SER A 19 15.422 -2.662 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.421 -2.658 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.954 -4.187 -7.921 1.00 0.00 H new ATOM 0 HG SER A 19 12.995 -2.427 -6.771 1.00 0.00 H new ATOM 277 N GLN A 20 17.911 -2.904 -6.169 1.00 0.00 N ATOM 278 CA GLN A 20 19.285 -3.350 -6.353 1.00 0.00 C ATOM 279 C GLN A 20 19.541 -4.642 -5.588 1.00 0.00 C ATOM 280 O GLN A 20 18.878 -4.920 -4.590 1.00 0.00 O ATOM 281 CB GLN A 20 20.257 -2.268 -5.880 1.00 0.00 C ATOM 282 CG GLN A 20 19.935 -1.718 -4.499 1.00 0.00 C ATOM 283 CD GLN A 20 21.148 -1.109 -3.820 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.817 -1.760 -3.017 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.435 0.149 -4.138 1.00 0.00 N ATOM 0 H GLN A 20 17.707 -2.544 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 20 19.443 -3.537 -7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.267 -2.678 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.252 -1.448 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.153 -0.963 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.537 -2.519 -3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.853 0.651 -4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.237 0.613 -3.711 1.00 0.00 H new ATOM 294 N PRO A 21 20.517 -5.444 -6.042 1.00 0.00 N ATOM 295 CA PRO A 21 20.868 -6.706 -5.388 1.00 0.00 C ATOM 296 C PRO A 21 21.244 -6.485 -3.928 1.00 0.00 C ATOM 297 O PRO A 21 22.396 -6.660 -3.533 1.00 0.00 O ATOM 298 CB PRO A 21 22.073 -7.211 -6.189 1.00 0.00 C ATOM 299 CG PRO A 21 21.985 -6.512 -7.502 1.00 0.00 C ATOM 300 CD PRO A 21 21.359 -5.175 -7.218 1.00 0.00 C ATOM 0 HA PRO A 21 20.039 -7.414 -5.376 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.009 -6.980 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.037 -8.293 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.972 -6.394 -7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 21 21.382 -7.083 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.111 -4.414 -7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.770 -4.818 -8.063 1.00 0.00 H new ATOM 308 N GLY A 22 20.256 -6.079 -3.140 1.00 0.00 N ATOM 309 CA GLY A 22 20.477 -5.810 -1.733 1.00 0.00 C ATOM 310 C GLY A 22 19.550 -4.732 -1.218 1.00 0.00 C ATOM 311 O GLY A 22 19.390 -4.561 -0.010 1.00 0.00 O ATOM 0 H GLY A 22 19.297 -5.930 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.326 -6.725 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.512 -5.504 -1.579 1.00 0.00 H new ATOM 315 N ALA A 23 18.938 -4.001 -2.143 1.00 0.00 N ATOM 316 CA ALA A 23 18.021 -2.931 -1.784 1.00 0.00 C ATOM 317 C ALA A 23 16.933 -2.786 -2.821 1.00 0.00 C ATOM 318 O ALA A 23 17.124 -2.208 -3.890 1.00 0.00 O ATOM 319 CB ALA A 23 18.778 -1.629 -1.598 1.00 0.00 C ATOM 0 H ALA A 23 19.062 -4.132 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 23 17.544 -3.186 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.079 -0.837 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.515 -1.747 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.284 -1.367 -2.527 1.00 0.00 H new ATOM 325 N PRO A 24 15.783 -3.361 -2.503 1.00 0.00 N ATOM 326 CA PRO A 24 14.619 -3.389 -3.349 1.00 0.00 C ATOM 327 C PRO A 24 13.528 -2.430 -2.918 1.00 0.00 C ATOM 328 O PRO A 24 12.445 -2.850 -2.514 1.00 0.00 O ATOM 329 CB PRO A 24 14.182 -4.832 -3.146 1.00 0.00 C ATOM 330 CG PRO A 24 14.534 -5.139 -1.715 1.00 0.00 C ATOM 331 CD PRO A 24 15.526 -4.099 -1.270 1.00 0.00 C ATOM 0 HA PRO A 24 14.822 -3.086 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.114 -4.951 -3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.698 -5.503 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.644 -5.116 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.960 -6.139 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.118 -3.456 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.434 -4.549 -0.870 1.00 0.00 H new ATOM 339 N ILE A 25 13.819 -1.146 -3.014 1.00 0.00 N ATOM 340 CA ILE A 25 12.879 -0.124 -2.659 1.00 0.00 C ATOM 341 C ILE A 25 11.461 -0.452 -3.094 1.00 0.00 C ATOM 342 O ILE A 25 11.195 -1.530 -3.620 1.00 0.00 O ATOM 343 CB ILE A 25 13.327 1.197 -3.256 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.593 1.605 -2.547 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.255 2.237 -3.041 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.419 1.495 -1.056 1.00 0.00 C ATOM 0 H ILE A 25 14.718 -0.792 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 25 12.858 -0.056 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 25 13.503 1.102 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.419 0.971 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.853 2.629 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.577 3.186 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.333 1.915 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.079 2.363 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.342 1.793 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.607 2.148 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.182 0.464 -0.792 1.00 0.00 H new ATOM 358 N LEU A 26 10.533 0.460 -2.803 1.00 0.00 N ATOM 359 CA LEU A 26 9.133 0.235 -3.086 1.00 0.00 C ATOM 360 C LEU A 26 8.370 1.481 -3.412 1.00 0.00 C ATOM 361 O LEU A 26 8.922 2.533 -3.724 1.00 0.00 O ATOM 362 CB LEU A 26 8.538 -0.362 -1.846 1.00 0.00 C ATOM 363 CG LEU A 26 9.591 -0.977 -0.967 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.425 -0.536 0.470 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.602 -2.486 -1.097 1.00 0.00 C ATOM 0 H LEU A 26 10.736 1.361 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 26 9.066 -0.408 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.004 0.409 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.805 -1.120 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 26 10.563 -0.619 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.200 -0.996 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.511 0.549 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.444 -0.843 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.374 -2.901 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.630 -2.884 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.810 -2.761 -2.131 1.00 0.00 H new ATOM 377 N GLN A 27 7.071 1.315 -3.314 1.00 0.00 N ATOM 378 CA GLN A 27 6.134 2.394 -3.573 1.00 0.00 C ATOM 379 C GLN A 27 4.708 1.865 -3.683 1.00 0.00 C ATOM 380 O GLN A 27 4.076 1.981 -4.733 1.00 0.00 O ATOM 381 CB GLN A 27 6.534 3.131 -4.852 1.00 0.00 C ATOM 382 CG GLN A 27 5.613 4.285 -5.210 1.00 0.00 C ATOM 383 CD GLN A 27 5.660 5.405 -4.187 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.019 5.188 -3.030 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.300 6.610 -4.611 1.00 0.00 N ATOM 0 H GLN A 27 6.631 0.432 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 27 6.167 3.091 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.549 3.511 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.550 2.421 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.892 4.678 -6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.590 3.917 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.009 6.744 -5.579 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.314 7.402 -3.968 1.00 0.00 H new ATOM 394 N CYS A 28 4.205 1.286 -2.591 1.00 0.00 N ATOM 395 CA CYS A 28 2.848 0.747 -2.566 1.00 0.00 C ATOM 396 C CYS A 28 1.961 1.518 -3.537 1.00 0.00 C ATOM 397 O CYS A 28 1.497 2.616 -3.232 1.00 0.00 O ATOM 398 CB CYS A 28 2.264 0.804 -1.151 1.00 0.00 C ATOM 399 SG CYS A 28 1.121 -0.558 -0.759 1.00 0.00 S ATOM 0 H CYS A 28 4.717 1.179 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 28 2.887 -0.298 -2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.083 0.794 -0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.740 1.751 -1.025 1.00 0.00 H new ATOM 404 N MET A 29 1.747 0.944 -4.718 1.00 0.00 N ATOM 405 CA MET A 29 0.934 1.591 -5.740 1.00 0.00 C ATOM 406 C MET A 29 -0.475 1.874 -5.222 1.00 0.00 C ATOM 407 O MET A 29 -0.648 2.637 -4.272 1.00 0.00 O ATOM 408 CB MET A 29 0.889 0.730 -7.005 1.00 0.00 C ATOM 409 CG MET A 29 0.290 1.440 -8.212 1.00 0.00 C ATOM 410 SD MET A 29 0.761 3.178 -8.303 1.00 0.00 S ATOM 411 CE MET A 29 2.512 3.039 -8.650 1.00 0.00 C ATOM 0 H MET A 29 2.124 0.036 -4.989 1.00 0.00 H new ATOM 0 HA MET A 29 1.393 2.548 -5.989 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.901 0.408 -7.250 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.309 -0.170 -6.800 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.610 0.933 -9.122 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.797 1.364 -8.170 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.946 4.035 -8.735 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.001 2.497 -7.841 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.656 2.500 -9.586 1.00 0.00 H new ATOM 421 N GLY A 30 -1.479 1.266 -5.844 1.00 0.00 N ATOM 422 CA GLY A 30 -2.845 1.484 -5.415 1.00 0.00 C ATOM 423 C GLY A 30 -3.860 0.856 -6.347 1.00 0.00 C ATOM 424 O GLY A 30 -3.906 1.176 -7.535 1.00 0.00 O ATOM 0 H GLY A 30 -1.371 0.629 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.976 1.075 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.034 2.556 -5.349 1.00 0.00 H new ATOM 428 N CYS A 31 -4.678 -0.035 -5.801 1.00 0.00 N ATOM 429 CA CYS A 31 -5.708 -0.710 -6.579 1.00 0.00 C ATOM 430 C CYS A 31 -6.870 -1.117 -5.684 1.00 0.00 C ATOM 431 O CYS A 31 -7.327 -2.258 -5.714 1.00 0.00 O ATOM 432 CB CYS A 31 -5.129 -1.938 -7.285 1.00 0.00 C ATOM 433 SG CYS A 31 -3.313 -1.925 -7.431 1.00 0.00 S ATOM 0 H CYS A 31 -4.647 -0.307 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.076 -0.016 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.433 -2.833 -6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.562 -2.008 -8.283 1.00 0.00 H new ATOM 438 N CYS A 32 -7.344 -0.165 -4.890 1.00 0.00 N ATOM 439 CA CYS A 32 -8.457 -0.409 -3.978 1.00 0.00 C ATOM 440 C CYS A 32 -9.764 -0.551 -4.748 1.00 0.00 C ATOM 441 O CYS A 32 -10.260 0.410 -5.336 1.00 0.00 O ATOM 442 CB CYS A 32 -8.569 0.729 -2.961 1.00 0.00 C ATOM 443 SG CYS A 32 -8.184 0.240 -1.248 1.00 0.00 S ATOM 0 H CYS A 32 -6.975 0.785 -4.858 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.265 -1.341 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.896 1.534 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.581 1.132 -2.993 1.00 0.00 H new ATOM 448 N PHE A 33 -10.317 -1.759 -4.744 1.00 0.00 N ATOM 449 CA PHE A 33 -11.564 -2.033 -5.444 1.00 0.00 C ATOM 450 C PHE A 33 -12.740 -2.095 -4.466 1.00 0.00 C ATOM 451 O PHE A 33 -12.826 -1.287 -3.541 1.00 0.00 O ATOM 452 CB PHE A 33 -11.440 -3.338 -6.234 1.00 0.00 C ATOM 453 CG PHE A 33 -10.718 -4.423 -5.487 1.00 0.00 C ATOM 454 CD1 PHE A 33 -11.288 -5.011 -4.369 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.468 -4.850 -5.901 1.00 0.00 C ATOM 456 CE1 PHE A 33 -10.623 -6.007 -3.679 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.797 -5.844 -5.215 1.00 0.00 C ATOM 458 CZ PHE A 33 -9.376 -6.424 -4.102 1.00 0.00 C ATOM 0 H PHE A 33 -9.919 -2.565 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.760 -1.218 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.437 -3.690 -6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.915 -3.140 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.262 -4.688 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.012 -4.401 -6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.078 -6.459 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.822 -6.167 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.854 -7.202 -3.564 1.00 0.00 H new ATOM 468 N SER A 34 -13.649 -3.045 -4.676 1.00 0.00 N ATOM 469 CA SER A 34 -14.817 -3.190 -3.813 1.00 0.00 C ATOM 470 C SER A 34 -14.433 -3.731 -2.439 1.00 0.00 C ATOM 471 O SER A 34 -13.254 -3.936 -2.145 1.00 0.00 O ATOM 472 CB SER A 34 -15.844 -4.113 -4.470 1.00 0.00 C ATOM 473 OG SER A 34 -15.348 -5.437 -4.571 1.00 0.00 O ATOM 0 H SER A 34 -13.599 -3.724 -5.435 1.00 0.00 H new ATOM 0 HA SER A 34 -15.255 -2.201 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.766 -4.110 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.093 -3.738 -5.463 1.00 0.00 H new ATOM 0 HG SER A 34 -16.024 -6.008 -4.993 1.00 0.00 H new ATOM 479 N ARG A 35 -15.440 -3.959 -1.600 1.00 0.00 N ATOM 480 CA ARG A 35 -15.215 -4.474 -0.256 1.00 0.00 C ATOM 481 C ARG A 35 -16.066 -5.713 0.001 1.00 0.00 C ATOM 482 O ARG A 35 -16.567 -6.339 -0.933 1.00 0.00 O ATOM 483 CB ARG A 35 -15.533 -3.396 0.783 1.00 0.00 C ATOM 484 CG ARG A 35 -14.315 -2.912 1.554 1.00 0.00 C ATOM 485 CD ARG A 35 -14.276 -1.394 1.646 1.00 0.00 C ATOM 486 NE ARG A 35 -15.584 -0.798 1.395 1.00 0.00 N ATOM 487 CZ ARG A 35 -16.661 -1.054 2.130 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.574 -1.875 3.168 1.00 0.00 N ATOM 489 NH2 ARG A 35 -17.822 -0.492 1.830 1.00 0.00 N ATOM 0 H ARG A 35 -16.420 -3.794 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.165 -4.754 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -15.996 -2.546 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -16.266 -3.788 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.326 -3.338 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.409 -3.271 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.927 -1.100 2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.556 -1.005 0.926 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.677 -0.150 0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.681 -2.309 3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.400 -2.072 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.892 0.140 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.646 -0.691 2.397 1.00 0.00 H new ATOM 503 N ALA A 36 -16.224 -6.064 1.272 1.00 0.00 N ATOM 504 CA ALA A 36 -17.011 -7.230 1.649 1.00 0.00 C ATOM 505 C ALA A 36 -16.368 -8.510 1.130 1.00 0.00 C ATOM 506 O ALA A 36 -16.385 -8.783 -0.070 1.00 0.00 O ATOM 507 CB ALA A 36 -18.433 -7.099 1.126 1.00 0.00 C ATOM 0 H ALA A 36 -15.817 -5.557 2.058 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.043 -7.284 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.009 -7.978 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.895 -6.207 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.415 -7.019 0.039 1.00 0.00 H new ATOM 513 N TYR A 37 -15.798 -9.290 2.041 1.00 0.00 N ATOM 514 CA TYR A 37 -15.147 -10.539 1.675 1.00 0.00 C ATOM 515 C TYR A 37 -16.160 -11.672 1.569 1.00 0.00 C ATOM 516 O TYR A 37 -16.844 -11.999 2.539 1.00 0.00 O ATOM 517 CB TYR A 37 -14.072 -10.902 2.701 1.00 0.00 C ATOM 518 CG TYR A 37 -12.714 -10.318 2.390 1.00 0.00 C ATOM 519 CD1 TYR A 37 -12.593 -9.162 1.631 1.00 0.00 C ATOM 520 CD2 TYR A 37 -11.553 -10.926 2.851 1.00 0.00 C ATOM 521 CE1 TYR A 37 -11.353 -8.627 1.339 1.00 0.00 C ATOM 522 CE2 TYR A 37 -10.309 -10.396 2.566 1.00 0.00 C ATOM 523 CZ TYR A 37 -10.214 -9.248 1.809 1.00 0.00 C ATOM 524 OH TYR A 37 -8.976 -8.719 1.520 1.00 0.00 O ATOM 0 H TYR A 37 -15.774 -9.078 3.038 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.679 -10.399 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.390 -10.556 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.987 -11.987 2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.483 -8.673 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -11.624 -11.827 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.276 -7.728 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.416 -10.879 2.934 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.279 -9.276 1.926 1.00 0.00 H new ATOM 534 N PRO A 38 -16.262 -12.291 0.386 1.00 0.00 N ATOM 535 CA PRO A 38 -17.189 -13.399 0.152 1.00 0.00 C ATOM 536 C PRO A 38 -16.974 -14.539 1.140 1.00 0.00 C ATOM 537 O PRO A 38 -15.948 -15.218 1.110 1.00 0.00 O ATOM 538 CB PRO A 38 -16.865 -13.863 -1.274 1.00 0.00 C ATOM 539 CG PRO A 38 -15.549 -13.240 -1.607 1.00 0.00 C ATOM 540 CD PRO A 38 -15.478 -11.968 -0.812 1.00 0.00 C ATOM 0 HA PRO A 38 -18.227 -13.090 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.810 -14.950 -1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.638 -13.547 -1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.726 -13.907 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.473 -13.037 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.450 -11.703 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.902 -11.125 -1.358 1.00 0.00 H new ATOM 548 N THR A 39 -17.948 -14.740 2.018 1.00 0.00 N ATOM 549 CA THR A 39 -17.869 -15.793 3.022 1.00 0.00 C ATOM 550 C THR A 39 -18.965 -16.830 2.806 1.00 0.00 C ATOM 551 O THR A 39 -20.082 -16.494 2.413 1.00 0.00 O ATOM 552 CB THR A 39 -17.982 -15.191 4.424 1.00 0.00 C ATOM 553 OG1 THR A 39 -17.075 -14.116 4.580 1.00 0.00 O ATOM 554 CG2 THR A 39 -17.708 -16.184 5.531 1.00 0.00 C ATOM 0 H THR A 39 -18.804 -14.186 2.055 1.00 0.00 H new ATOM 0 HA THR A 39 -16.904 -16.290 2.924 1.00 0.00 H new ATOM 0 HB THR A 39 -19.016 -14.856 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 39 -17.249 -13.439 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.806 -15.688 6.497 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.424 -17.004 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.697 -16.577 5.426 1.00 0.00 H new ATOM 562 N PRO A 40 -18.655 -18.110 3.064 1.00 0.00 N ATOM 563 CA PRO A 40 -19.610 -19.200 2.901 1.00 0.00 C ATOM 564 C PRO A 40 -21.034 -18.782 3.247 1.00 0.00 C ATOM 565 O PRO A 40 -21.258 -18.037 4.200 1.00 0.00 O ATOM 566 CB PRO A 40 -19.084 -20.237 3.889 1.00 0.00 C ATOM 567 CG PRO A 40 -17.602 -20.055 3.860 1.00 0.00 C ATOM 568 CD PRO A 40 -17.347 -18.599 3.539 1.00 0.00 C ATOM 0 HA PRO A 40 -19.678 -19.556 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.485 -20.073 4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.367 -21.247 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.161 -20.322 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -17.148 -20.702 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.009 -18.049 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -16.577 -18.486 2.776 1.00 0.00 H new ATOM 576 N LEU A 41 -21.992 -19.260 2.458 1.00 0.00 N ATOM 577 CA LEU A 41 -23.399 -18.933 2.667 1.00 0.00 C ATOM 578 C LEU A 41 -23.740 -17.583 2.042 1.00 0.00 C ATOM 579 O LEU A 41 -24.662 -17.479 1.232 1.00 0.00 O ATOM 580 CB LEU A 41 -23.736 -18.914 4.161 1.00 0.00 C ATOM 581 CG LEU A 41 -23.317 -20.162 4.945 1.00 0.00 C ATOM 582 CD1 LEU A 41 -22.184 -19.834 5.906 1.00 0.00 C ATOM 583 CD2 LEU A 41 -24.506 -20.738 5.699 1.00 0.00 C ATOM 0 H LEU A 41 -21.818 -19.878 1.665 1.00 0.00 H new ATOM 0 HA LEU A 41 -23.996 -19.705 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.259 -18.045 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.812 -18.780 4.272 1.00 0.00 H new ATOM 0 HG LEU A 41 -22.960 -20.911 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.900 -20.732 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -21.326 -19.465 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -22.513 -19.069 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -24.192 -21.624 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -24.890 -19.993 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -25.289 -21.010 4.991 1.00 0.00 H new ATOM 595 N ARG A 42 -22.987 -16.554 2.422 1.00 0.00 N ATOM 596 CA ARG A 42 -23.202 -15.206 1.904 1.00 0.00 C ATOM 597 C ARG A 42 -24.659 -14.779 2.066 1.00 0.00 C ATOM 598 O ARG A 42 -25.575 -15.467 1.620 1.00 0.00 O ATOM 599 CB ARG A 42 -22.784 -15.126 0.432 1.00 0.00 C ATOM 600 CG ARG A 42 -23.740 -15.829 -0.519 1.00 0.00 C ATOM 601 CD ARG A 42 -23.510 -15.392 -1.957 1.00 0.00 C ATOM 602 NE ARG A 42 -24.567 -15.866 -2.848 1.00 0.00 N ATOM 603 CZ ARG A 42 -24.944 -15.225 -3.951 1.00 0.00 C ATOM 604 NH1 ARG A 42 -24.341 -14.099 -4.307 1.00 0.00 N ATOM 605 NH2 ARG A 42 -25.920 -15.715 -4.704 1.00 0.00 N ATOM 0 H ARG A 42 -22.219 -16.629 3.090 1.00 0.00 H new ATOM 0 HA ARG A 42 -22.583 -14.521 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -22.705 -14.078 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -21.791 -15.562 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -23.608 -16.908 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.768 -15.612 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -23.459 -14.304 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -22.548 -15.771 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 42 -25.042 -16.737 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.586 -13.722 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -24.632 -13.610 -5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -26.382 -16.584 -4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.208 -15.222 -5.549 1.00 0.00 H new ATOM 619 N SER A 43 -24.864 -13.637 2.716 1.00 0.00 N ATOM 620 CA SER A 43 -26.208 -13.117 2.945 1.00 0.00 C ATOM 621 C SER A 43 -26.277 -11.627 2.630 1.00 0.00 C ATOM 622 O SER A 43 -25.426 -10.850 3.066 1.00 0.00 O ATOM 623 CB SER A 43 -26.627 -13.366 4.396 1.00 0.00 C ATOM 624 OG SER A 43 -25.599 -14.020 5.118 1.00 0.00 O ATOM 0 H SER A 43 -24.117 -13.054 3.093 1.00 0.00 H new ATOM 0 HA SER A 43 -26.894 -13.640 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 43 -26.866 -12.417 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 -27.533 -13.972 4.417 1.00 0.00 H new ATOM 0 HG SER A 43 -25.890 -14.166 6.042 1.00 0.00 H new ATOM 630 N LYS A 44 -27.297 -11.232 1.872 1.00 0.00 N ATOM 631 CA LYS A 44 -27.477 -9.833 1.502 1.00 0.00 C ATOM 632 C LYS A 44 -28.241 -9.078 2.584 1.00 0.00 C ATOM 633 O LYS A 44 -29.445 -8.854 2.467 1.00 0.00 O ATOM 634 CB LYS A 44 -28.224 -9.722 0.169 1.00 0.00 C ATOM 635 CG LYS A 44 -28.187 -10.993 -0.664 1.00 0.00 C ATOM 636 CD LYS A 44 -26.792 -11.595 -0.710 1.00 0.00 C ATOM 637 CE LYS A 44 -26.244 -11.623 -2.129 1.00 0.00 C ATOM 638 NZ LYS A 44 -24.783 -11.335 -2.166 1.00 0.00 N ATOM 0 H LYS A 44 -28.010 -11.861 1.503 1.00 0.00 H new ATOM 0 HA LYS A 44 -26.489 -9.386 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.263 -9.459 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.793 -8.906 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.884 -11.721 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.522 -10.774 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.124 -11.017 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.818 -12.608 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.433 -12.601 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.774 -10.890 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.448 -11.363 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.605 -10.391 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.274 -12.049 -1.607 1.00 0.00 H new ATOM 652 N LYS A 45 -27.533 -8.690 3.637 1.00 0.00 N ATOM 653 CA LYS A 45 -28.145 -7.960 4.742 1.00 0.00 C ATOM 654 C LYS A 45 -28.199 -6.465 4.446 1.00 0.00 C ATOM 655 O LYS A 45 -27.488 -5.675 5.067 1.00 0.00 O ATOM 656 CB LYS A 45 -27.367 -8.208 6.035 1.00 0.00 C ATOM 657 CG LYS A 45 -27.920 -7.455 7.234 1.00 0.00 C ATOM 658 CD LYS A 45 -26.963 -7.505 8.414 1.00 0.00 C ATOM 659 CE LYS A 45 -27.282 -8.663 9.345 1.00 0.00 C ATOM 660 NZ LYS A 45 -27.175 -9.980 8.656 1.00 0.00 N ATOM 0 H LYS A 45 -26.535 -8.868 3.750 1.00 0.00 H new ATOM 0 HA LYS A 45 -29.166 -8.323 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -27.373 -9.276 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.327 -7.919 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -28.106 -6.417 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.879 -7.884 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.940 -7.602 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.017 -6.567 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.601 -8.643 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.290 -8.542 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.062 -10.734 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.037 -10.152 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.351 -9.974 8.022 1.00 0.00 H new ATOM 674 N THR A 46 -29.046 -6.080 3.495 1.00 0.00 N ATOM 675 CA THR A 46 -29.188 -4.676 3.123 1.00 0.00 C ATOM 676 C THR A 46 -30.263 -3.992 3.963 1.00 0.00 C ATOM 677 O THR A 46 -30.640 -4.481 5.028 1.00 0.00 O ATOM 678 CB THR A 46 -29.526 -4.541 1.635 1.00 0.00 C ATOM 679 OG1 THR A 46 -29.495 -3.184 1.234 1.00 0.00 O ATOM 680 CG2 THR A 46 -30.888 -5.092 1.276 1.00 0.00 C ATOM 0 H THR A 46 -29.643 -6.719 2.969 1.00 0.00 H new ATOM 0 HA THR A 46 -28.234 -4.185 3.314 1.00 0.00 H new ATOM 0 HB THR A 46 -28.767 -5.125 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 46 -28.823 -2.703 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 46 -31.062 -4.964 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 46 -30.929 -6.152 1.526 1.00 0.00 H new ATOM 0 HG23 THR A 46 -31.656 -4.558 1.835 1.00 0.00 H new ATOM 688 N MET A 47 -30.746 -2.855 3.470 1.00 0.00 N ATOM 689 CA MET A 47 -31.776 -2.076 4.157 1.00 0.00 C ATOM 690 C MET A 47 -31.537 -0.590 3.932 1.00 0.00 C ATOM 691 O MET A 47 -32.481 0.190 3.796 1.00 0.00 O ATOM 692 CB MET A 47 -31.777 -2.377 5.659 1.00 0.00 C ATOM 693 CG MET A 47 -32.446 -1.300 6.498 1.00 0.00 C ATOM 694 SD MET A 47 -31.285 -0.447 7.580 1.00 0.00 S ATOM 695 CE MET A 47 -31.834 1.247 7.399 1.00 0.00 C ATOM 0 H MET A 47 -30.437 -2.448 2.587 1.00 0.00 H new ATOM 0 HA MET A 47 -32.747 -2.355 3.747 1.00 0.00 H new ATOM 0 HB2 MET A 47 -32.285 -3.326 5.830 1.00 0.00 H new ATOM 0 HB3 MET A 47 -30.748 -2.501 5.996 1.00 0.00 H new ATOM 0 HG2 MET A 47 -32.923 -0.575 5.839 1.00 0.00 H new ATOM 0 HG3 MET A 47 -33.235 -1.751 7.100 1.00 0.00 H new ATOM 0 HE1 MET A 47 -31.814 1.742 8.370 1.00 0.00 H new ATOM 0 HE2 MET A 47 -31.172 1.772 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 47 -32.851 1.260 7.006 1.00 0.00 H new ATOM 705 N LEU A 48 -30.259 -0.219 3.895 1.00 0.00 N ATOM 706 CA LEU A 48 -29.842 1.164 3.688 1.00 0.00 C ATOM 707 C LEU A 48 -28.619 1.470 4.544 1.00 0.00 C ATOM 708 O LEU A 48 -27.992 0.561 5.088 1.00 0.00 O ATOM 709 CB LEU A 48 -30.977 2.139 4.020 1.00 0.00 C ATOM 710 CG LEU A 48 -31.898 2.494 2.847 1.00 0.00 C ATOM 711 CD1 LEU A 48 -31.754 3.963 2.480 1.00 0.00 C ATOM 712 CD2 LEU A 48 -31.601 1.616 1.638 1.00 0.00 C ATOM 0 H LEU A 48 -29.483 -0.871 4.008 1.00 0.00 H new ATOM 0 HA LEU A 48 -29.586 1.291 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -31.582 1.709 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -30.541 3.059 4.410 1.00 0.00 H new ATOM 0 HG LEU A 48 -32.926 2.312 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -32.415 4.196 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -32.021 4.580 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -30.722 4.167 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -32.267 1.887 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -30.566 1.762 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -31.757 0.570 1.901 1.00 0.00 H new ATOM 724 N VAL A 49 -28.276 2.746 4.660 1.00 0.00 N ATOM 725 CA VAL A 49 -27.121 3.145 5.452 1.00 0.00 C ATOM 726 C VAL A 49 -25.829 2.674 4.794 1.00 0.00 C ATOM 727 O VAL A 49 -25.775 1.583 4.225 1.00 0.00 O ATOM 728 CB VAL A 49 -27.193 2.565 6.875 1.00 0.00 C ATOM 729 CG1 VAL A 49 -26.279 3.334 7.816 1.00 0.00 C ATOM 730 CG2 VAL A 49 -28.627 2.572 7.386 1.00 0.00 C ATOM 0 H VAL A 49 -28.777 3.517 4.219 1.00 0.00 H new ATOM 0 HA VAL A 49 -27.130 4.233 5.509 1.00 0.00 H new ATOM 0 HB VAL A 49 -26.850 1.531 6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.345 2.907 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -25.251 3.267 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -26.585 4.380 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -28.656 2.158 8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -29.002 3.595 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -29.251 1.968 6.727 1.00 0.00 H new ATOM 740 N GLN A 50 -24.789 3.498 4.873 1.00 0.00 N ATOM 741 CA GLN A 50 -23.501 3.152 4.281 1.00 0.00 C ATOM 742 C GLN A 50 -22.444 4.206 4.602 1.00 0.00 C ATOM 743 O GLN A 50 -21.953 4.898 3.710 1.00 0.00 O ATOM 744 CB GLN A 50 -23.636 2.996 2.764 1.00 0.00 C ATOM 745 CG GLN A 50 -24.879 3.654 2.184 1.00 0.00 C ATOM 746 CD GLN A 50 -25.850 2.650 1.592 1.00 0.00 C ATOM 747 OE1 GLN A 50 -25.444 1.643 1.010 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.142 2.920 1.737 1.00 0.00 N ATOM 0 H GLN A 50 -24.812 4.405 5.338 1.00 0.00 H new ATOM 0 HA GLN A 50 -23.181 2.203 4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -22.754 3.422 2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -23.651 1.934 2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.382 4.223 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -24.583 4.365 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -27.434 3.766 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -27.842 2.282 1.359 1.00 0.00 H new ATOM 757 N LYS A 51 -22.093 4.318 5.879 1.00 0.00 N ATOM 758 CA LYS A 51 -21.089 5.283 6.311 1.00 0.00 C ATOM 759 C LYS A 51 -19.847 4.573 6.841 1.00 0.00 C ATOM 760 O LYS A 51 -19.230 5.017 7.808 1.00 0.00 O ATOM 761 CB LYS A 51 -21.663 6.203 7.390 1.00 0.00 C ATOM 762 CG LYS A 51 -21.108 7.617 7.338 1.00 0.00 C ATOM 763 CD LYS A 51 -21.315 8.246 5.970 1.00 0.00 C ATOM 764 CE LYS A 51 -22.020 9.587 6.077 1.00 0.00 C ATOM 765 NZ LYS A 51 -22.514 10.060 4.756 1.00 0.00 N ATOM 0 H LYS A 51 -22.488 3.754 6.631 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.804 5.883 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.747 6.242 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.454 5.775 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.594 8.228 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.044 7.601 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.351 8.378 5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.902 7.574 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.858 9.503 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.335 10.325 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.989 10.978 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.712 10.165 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.187 9.368 4.369 1.00 0.00 H new ATOM 779 N ASN A 52 -19.487 3.468 6.196 1.00 0.00 N ATOM 780 CA ASN A 52 -18.319 2.693 6.599 1.00 0.00 C ATOM 781 C ASN A 52 -17.047 3.261 5.970 1.00 0.00 C ATOM 782 O ASN A 52 -16.005 2.606 5.949 1.00 0.00 O ATOM 783 CB ASN A 52 -18.502 1.225 6.199 1.00 0.00 C ATOM 784 CG ASN A 52 -17.208 0.436 6.254 1.00 0.00 C ATOM 785 OD1 ASN A 52 -16.434 0.425 5.296 1.00 0.00 O ATOM 786 ND2 ASN A 52 -16.968 -0.232 7.375 1.00 0.00 N ATOM 0 H ASN A 52 -19.987 3.089 5.392 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.218 2.756 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.234 0.761 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.909 1.176 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.114 -0.783 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.637 -0.195 8.144 1.00 0.00 H new ATOM 793 N VAL A 53 -17.140 4.485 5.458 1.00 0.00 N ATOM 794 CA VAL A 53 -15.999 5.142 4.830 1.00 0.00 C ATOM 795 C VAL A 53 -16.305 6.609 4.541 1.00 0.00 C ATOM 796 O VAL A 53 -17.373 6.941 4.029 1.00 0.00 O ATOM 797 CB VAL A 53 -15.605 4.439 3.518 1.00 0.00 C ATOM 798 CG1 VAL A 53 -16.846 3.960 2.782 1.00 0.00 C ATOM 799 CG2 VAL A 53 -14.773 5.358 2.636 1.00 0.00 C ATOM 0 H VAL A 53 -17.995 5.042 5.466 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.166 5.080 5.530 1.00 0.00 H new ATOM 0 HB VAL A 53 -14.993 3.571 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.552 3.465 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.394 3.258 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -17.484 4.813 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.508 4.837 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.350 6.251 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -13.864 5.645 3.165 1.00 0.00 H new ATOM 809 N THR A 54 -15.361 7.483 4.878 1.00 0.00 N ATOM 810 CA THR A 54 -15.532 8.914 4.657 1.00 0.00 C ATOM 811 C THR A 54 -16.325 9.180 3.382 1.00 0.00 C ATOM 812 O THR A 54 -17.432 9.714 3.430 1.00 0.00 O ATOM 813 CB THR A 54 -14.172 9.608 4.585 1.00 0.00 C ATOM 814 OG1 THR A 54 -14.200 10.671 3.649 1.00 0.00 O ATOM 815 CG2 THR A 54 -13.047 8.678 4.192 1.00 0.00 C ATOM 0 H THR A 54 -14.471 7.225 5.305 1.00 0.00 H new ATOM 0 HA THR A 54 -16.092 9.320 5.499 1.00 0.00 H new ATOM 0 HB THR A 54 -13.981 9.976 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.321 11.103 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.110 9.234 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.967 7.874 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.252 8.254 3.209 1.00 0.00 H new ATOM 823 N SER A 55 -15.754 8.800 2.242 1.00 0.00 N ATOM 824 CA SER A 55 -16.416 8.997 0.956 1.00 0.00 C ATOM 825 C SER A 55 -15.866 8.037 -0.095 1.00 0.00 C ATOM 826 O SER A 55 -14.925 7.289 0.166 1.00 0.00 O ATOM 827 CB SER A 55 -16.242 10.443 0.486 1.00 0.00 C ATOM 828 OG SER A 55 -17.475 11.141 0.518 1.00 0.00 O ATOM 0 H SER A 55 -14.838 8.356 2.183 1.00 0.00 H new ATOM 0 HA SER A 55 -17.478 8.790 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.516 10.951 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.841 10.454 -0.527 1.00 0.00 H new ATOM 0 HG SER A 55 -17.337 12.063 0.215 1.00 0.00 H new ATOM 834 N GLU A 56 -16.460 8.068 -1.285 1.00 0.00 N ATOM 835 CA GLU A 56 -16.031 7.203 -2.379 1.00 0.00 C ATOM 836 C GLU A 56 -14.736 7.716 -2.998 1.00 0.00 C ATOM 837 O GLU A 56 -14.744 8.311 -4.076 1.00 0.00 O ATOM 838 CB GLU A 56 -17.121 7.112 -3.449 1.00 0.00 C ATOM 839 CG GLU A 56 -17.691 5.714 -3.616 1.00 0.00 C ATOM 840 CD GLU A 56 -16.609 4.667 -3.794 1.00 0.00 C ATOM 841 OE1 GLU A 56 -15.439 5.054 -3.996 1.00 0.00 O ATOM 842 OE2 GLU A 56 -16.931 3.462 -3.730 1.00 0.00 O ATOM 0 H GLU A 56 -17.240 8.683 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.852 6.208 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.929 7.797 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.712 7.445 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.295 5.464 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.356 5.696 -4.480 1.00 0.00 H new ATOM 849 N SER A 57 -13.624 7.478 -2.311 1.00 0.00 N ATOM 850 CA SER A 57 -12.317 7.913 -2.792 1.00 0.00 C ATOM 851 C SER A 57 -11.217 7.495 -1.823 1.00 0.00 C ATOM 852 O SER A 57 -10.538 8.339 -1.238 1.00 0.00 O ATOM 853 CB SER A 57 -12.295 9.430 -2.980 1.00 0.00 C ATOM 854 OG SER A 57 -13.337 10.052 -2.247 1.00 0.00 O ATOM 0 H SER A 57 -13.601 6.986 -1.418 1.00 0.00 H new ATOM 0 HA SER A 57 -12.135 7.434 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.332 9.825 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.398 9.670 -4.038 1.00 0.00 H new ATOM 0 HG SER A 57 -13.299 11.022 -2.383 1.00 0.00 H new ATOM 860 N THR A 58 -11.048 6.188 -1.659 1.00 0.00 N ATOM 861 CA THR A 58 -10.030 5.655 -0.762 1.00 0.00 C ATOM 862 C THR A 58 -8.690 5.518 -1.479 1.00 0.00 C ATOM 863 O THR A 58 -8.642 5.186 -2.664 1.00 0.00 O ATOM 864 CB THR A 58 -10.473 4.296 -0.213 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.348 3.650 -1.122 1.00 0.00 O ATOM 866 CG2 THR A 58 -11.179 4.392 1.124 1.00 0.00 C ATOM 0 H THR A 58 -11.603 5.478 -2.136 1.00 0.00 H new ATOM 0 HA THR A 58 -9.905 6.352 0.066 1.00 0.00 H new ATOM 0 HB THR A 58 -9.555 3.724 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.619 2.783 -0.755 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.466 3.394 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.509 4.840 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.070 5.011 1.021 1.00 0.00 H new ATOM 874 N CYS A 59 -7.605 5.777 -0.755 1.00 0.00 N ATOM 875 CA CYS A 59 -6.267 5.683 -1.327 1.00 0.00 C ATOM 876 C CYS A 59 -5.259 5.225 -0.282 1.00 0.00 C ATOM 877 O CYS A 59 -5.256 5.712 0.850 1.00 0.00 O ATOM 878 CB CYS A 59 -5.839 7.030 -1.913 1.00 0.00 C ATOM 879 SG CYS A 59 -6.286 8.467 -0.885 1.00 0.00 S ATOM 0 H CYS A 59 -7.626 6.053 0.227 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.295 4.943 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.759 7.024 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.293 7.146 -2.897 1.00 0.00 H new ATOM 884 N CYS A 60 -4.408 4.282 -0.666 1.00 0.00 N ATOM 885 CA CYS A 60 -3.399 3.751 0.238 1.00 0.00 C ATOM 886 C CYS A 60 -2.110 4.567 0.172 1.00 0.00 C ATOM 887 O CYS A 60 -1.527 4.747 -0.897 1.00 0.00 O ATOM 888 CB CYS A 60 -3.104 2.287 -0.099 1.00 0.00 C ATOM 889 SG CYS A 60 -4.557 1.192 0.011 1.00 0.00 S ATOM 0 H CYS A 60 -4.397 3.870 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.793 3.816 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.697 2.232 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.332 1.918 0.576 1.00 0.00 H new ATOM 894 N VAL A 61 -1.669 5.047 1.332 1.00 0.00 N ATOM 895 CA VAL A 61 -0.444 5.835 1.430 1.00 0.00 C ATOM 896 C VAL A 61 0.486 5.227 2.472 1.00 0.00 C ATOM 897 O VAL A 61 0.673 5.785 3.553 1.00 0.00 O ATOM 898 CB VAL A 61 -0.737 7.298 1.810 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.407 7.370 3.173 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.542 8.121 1.793 1.00 0.00 C ATOM 0 H VAL A 61 -2.145 4.903 2.222 1.00 0.00 H new ATOM 0 HA VAL A 61 0.032 5.822 0.449 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.420 7.717 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.607 8.411 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.346 6.816 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.750 6.934 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.315 9.152 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.252 7.706 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.977 8.096 0.794 1.00 0.00 H new ATOM 910 N ALA A 62 1.057 4.074 2.135 1.00 0.00 N ATOM 911 CA ALA A 62 1.961 3.359 3.028 1.00 0.00 C ATOM 912 C ALA A 62 1.721 3.699 4.493 1.00 0.00 C ATOM 913 O ALA A 62 2.097 4.775 4.964 1.00 0.00 O ATOM 914 CB ALA A 62 3.406 3.644 2.667 1.00 0.00 C ATOM 0 H ALA A 62 0.906 3.611 1.239 1.00 0.00 H new ATOM 0 HA ALA A 62 1.754 2.297 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.064 3.101 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.595 3.323 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.598 4.713 2.753 1.00 0.00 H new ATOM 920 N LYS A 63 1.133 2.759 5.222 1.00 0.00 N ATOM 921 CA LYS A 63 0.887 2.938 6.643 1.00 0.00 C ATOM 922 C LYS A 63 2.197 3.269 7.325 1.00 0.00 C ATOM 923 O LYS A 63 2.280 4.157 8.174 1.00 0.00 O ATOM 924 CB LYS A 63 0.315 1.658 7.245 1.00 0.00 C ATOM 925 CG LYS A 63 -0.359 1.871 8.592 1.00 0.00 C ATOM 926 CD LYS A 63 -0.789 0.556 9.220 1.00 0.00 C ATOM 927 CE LYS A 63 -2.248 0.250 8.926 1.00 0.00 C ATOM 928 NZ LYS A 63 -3.165 1.184 9.636 1.00 0.00 N ATOM 0 H LYS A 63 0.818 1.863 4.849 1.00 0.00 H new ATOM 0 HA LYS A 63 0.170 3.746 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.407 1.230 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.118 0.929 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.326 2.388 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.229 2.516 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.163 -0.252 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.635 0.599 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.423 0.315 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.471 -0.774 9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.100 0.740 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.778 1.402 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.258 2.063 9.088 1.00 0.00 H new ATOM 942 N SER A 64 3.224 2.541 6.913 1.00 0.00 N ATOM 943 CA SER A 64 4.564 2.724 7.431 1.00 0.00 C ATOM 944 C SER A 64 5.547 2.676 6.278 1.00 0.00 C ATOM 945 O SER A 64 5.416 1.855 5.372 1.00 0.00 O ATOM 946 CB SER A 64 4.900 1.655 8.473 1.00 0.00 C ATOM 947 OG SER A 64 3.733 1.215 9.147 1.00 0.00 O ATOM 0 H SER A 64 3.148 1.807 6.209 1.00 0.00 H new ATOM 0 HA SER A 64 4.629 3.693 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.384 0.808 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.611 2.057 9.195 1.00 0.00 H new ATOM 0 HG SER A 64 3.974 0.531 9.806 1.00 0.00 H new ATOM 953 N TYR A 65 6.504 3.583 6.291 1.00 0.00 N ATOM 954 CA TYR A 65 7.476 3.660 5.218 1.00 0.00 C ATOM 955 C TYR A 65 8.896 3.611 5.728 1.00 0.00 C ATOM 956 O TYR A 65 9.167 3.923 6.887 1.00 0.00 O ATOM 957 CB TYR A 65 7.293 4.965 4.464 1.00 0.00 C ATOM 958 CG TYR A 65 6.985 6.138 5.367 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.008 6.844 5.987 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.675 6.534 5.605 1.00 0.00 C ATOM 961 CE1 TYR A 65 7.735 7.914 6.820 1.00 0.00 C ATOM 962 CE2 TYR A 65 5.394 7.605 6.435 1.00 0.00 C ATOM 963 CZ TYR A 65 6.427 8.290 7.040 1.00 0.00 C ATOM 964 OH TYR A 65 6.149 9.355 7.869 1.00 0.00 O ATOM 0 H TYR A 65 6.629 4.275 7.030 1.00 0.00 H new ATOM 0 HA TYR A 65 7.309 2.799 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.199 5.179 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.485 4.849 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.034 6.553 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.864 5.998 5.135 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.542 8.452 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.371 7.903 6.608 1.00 0.00 H new ATOM 0 HH TYR A 65 5.179 9.489 7.916 1.00 0.00 H new ATOM 974 N ASN A 66 9.810 3.283 4.828 1.00 0.00 N ATOM 975 CA ASN A 66 11.227 3.275 5.181 1.00 0.00 C ATOM 976 C ASN A 66 11.957 4.143 4.190 1.00 0.00 C ATOM 977 O ASN A 66 13.141 3.965 3.900 1.00 0.00 O ATOM 978 CB ASN A 66 11.808 1.864 5.203 1.00 0.00 C ATOM 979 CG ASN A 66 12.614 1.585 6.456 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.058 1.320 7.521 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.936 1.642 6.332 1.00 0.00 N ATOM 0 H ASN A 66 9.605 3.023 3.863 1.00 0.00 H new ATOM 0 HA ASN A 66 11.347 3.666 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.997 1.140 5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.443 1.723 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.532 1.462 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.354 1.866 5.429 1.00 0.00 H new ATOM 988 N ARG A 67 11.188 5.079 3.680 1.00 0.00 N ATOM 989 CA ARG A 67 11.642 6.043 2.692 1.00 0.00 C ATOM 990 C ARG A 67 13.146 5.979 2.508 1.00 0.00 C ATOM 991 O ARG A 67 13.915 6.147 3.455 1.00 0.00 O ATOM 992 CB ARG A 67 11.222 7.448 3.102 1.00 0.00 C ATOM 993 CG ARG A 67 10.535 8.235 1.998 1.00 0.00 C ATOM 994 CD ARG A 67 10.728 9.732 2.180 1.00 0.00 C ATOM 995 NE ARG A 67 10.108 10.220 3.411 1.00 0.00 N ATOM 996 CZ ARG A 67 9.408 11.349 3.491 1.00 0.00 C ATOM 997 NH1 ARG A 67 9.251 12.118 2.422 1.00 0.00 N ATOM 998 NH2 ARG A 67 8.872 11.714 4.646 1.00 0.00 N ATOM 0 H ARG A 67 10.210 5.197 3.943 1.00 0.00 H new ATOM 0 HA ARG A 67 11.177 5.793 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.550 7.380 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.103 7.998 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.933 7.930 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.470 8.002 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.794 9.961 2.196 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.302 10.259 1.326 1.00 0.00 H new ATOM 0 HE ARG A 67 10.218 9.662 4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.668 11.845 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.713 12.982 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.996 11.130 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.335 12.579 4.708 1.00 0.00 H new ATOM 1012 N VAL A 68 13.550 5.744 1.276 1.00 0.00 N ATOM 1013 CA VAL A 68 14.960 5.660 0.938 1.00 0.00 C ATOM 1014 C VAL A 68 15.318 6.724 -0.077 1.00 0.00 C ATOM 1015 O VAL A 68 16.068 6.475 -1.018 1.00 0.00 O ATOM 1016 CB VAL A 68 15.344 4.266 0.381 1.00 0.00 C ATOM 1017 CG1 VAL A 68 14.667 3.154 1.177 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.995 4.141 -1.102 1.00 0.00 C ATOM 0 H VAL A 68 12.919 5.607 0.487 1.00 0.00 H new ATOM 0 HA VAL A 68 15.521 5.820 1.858 1.00 0.00 H new ATOM 0 HB VAL A 68 16.424 4.161 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.953 2.186 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.979 3.212 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.585 3.269 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.278 3.151 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.923 4.283 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.535 4.900 -1.668 1.00 0.00 H new ATOM 1028 N THR A 69 14.764 7.912 0.121 1.00 0.00 N ATOM 1029 CA THR A 69 15.005 9.026 -0.784 1.00 0.00 C ATOM 1030 C THR A 69 16.242 8.764 -1.623 1.00 0.00 C ATOM 1031 O THR A 69 17.341 8.599 -1.095 1.00 0.00 O ATOM 1032 CB THR A 69 15.166 10.341 -0.032 1.00 0.00 C ATOM 1033 OG1 THR A 69 13.954 10.715 0.600 1.00 0.00 O ATOM 1034 CG2 THR A 69 15.585 11.476 -0.943 1.00 0.00 C ATOM 0 H THR A 69 14.144 8.129 0.901 1.00 0.00 H new ATOM 0 HA THR A 69 14.134 9.112 -1.433 1.00 0.00 H new ATOM 0 HB THR A 69 15.947 10.170 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.082 11.561 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.686 12.392 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.540 11.235 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.830 11.620 -1.716 1.00 0.00 H new ATOM 1042 N VAL A 70 16.050 8.699 -2.925 1.00 0.00 N ATOM 1043 CA VAL A 70 17.149 8.422 -3.835 1.00 0.00 C ATOM 1044 C VAL A 70 17.188 9.392 -4.998 1.00 0.00 C ATOM 1045 O VAL A 70 16.521 10.426 -4.998 1.00 0.00 O ATOM 1046 CB VAL A 70 17.061 6.996 -4.404 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.447 6.381 -4.514 1.00 0.00 C ATOM 1048 CG2 VAL A 70 16.159 6.127 -3.544 1.00 0.00 C ATOM 0 H VAL A 70 15.146 8.834 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 70 18.058 8.533 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 70 16.627 7.053 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.366 5.372 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.063 6.989 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.906 6.340 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.112 5.123 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.560 6.077 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.158 6.557 -3.517 1.00 0.00 H new ATOM 1058 N MET A 71 17.992 9.036 -5.984 1.00 0.00 N ATOM 1059 CA MET A 71 18.159 9.843 -7.176 1.00 0.00 C ATOM 1060 C MET A 71 18.262 11.311 -6.820 1.00 0.00 C ATOM 1061 O MET A 71 19.010 11.700 -5.923 1.00 0.00 O ATOM 1062 CB MET A 71 16.993 9.643 -8.141 1.00 0.00 C ATOM 1063 CG MET A 71 16.639 8.197 -8.366 1.00 0.00 C ATOM 1064 SD MET A 71 17.152 7.599 -9.988 1.00 0.00 S ATOM 1065 CE MET A 71 18.878 8.077 -10.001 1.00 0.00 C ATOM 0 H MET A 71 18.546 8.180 -5.980 1.00 0.00 H new ATOM 0 HA MET A 71 19.082 9.523 -7.660 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.119 10.167 -7.755 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.242 10.101 -9.098 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.109 7.588 -7.594 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.562 8.070 -8.261 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.383 7.594 -10.837 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.955 9.159 -10.107 1.00 0.00 H new ATOM 0 HE3 MET A 71 19.348 7.769 -9.067 1.00 0.00 H new ATOM 1075 N GLY A 72 17.489 12.119 -7.527 1.00 0.00 N ATOM 1076 CA GLY A 72 17.480 13.533 -7.282 1.00 0.00 C ATOM 1077 C GLY A 72 16.555 13.908 -6.143 1.00 0.00 C ATOM 1078 O GLY A 72 15.893 14.945 -6.186 1.00 0.00 O ATOM 0 H GLY A 72 16.864 11.811 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.492 13.867 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.170 14.055 -8.187 1.00 0.00 H new ATOM 1082 N GLY A 73 16.499 13.055 -5.125 1.00 0.00 N ATOM 1083 CA GLY A 73 15.640 13.311 -3.992 1.00 0.00 C ATOM 1084 C GLY A 73 14.294 12.628 -4.133 1.00 0.00 C ATOM 1085 O GLY A 73 13.253 13.244 -3.908 1.00 0.00 O ATOM 0 H GLY A 73 17.036 12.190 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.129 12.965 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.492 14.386 -3.885 1.00 0.00 H new ATOM 1089 N PHE A 74 14.314 11.349 -4.507 1.00 0.00 N ATOM 1090 CA PHE A 74 13.083 10.586 -4.673 1.00 0.00 C ATOM 1091 C PHE A 74 12.549 10.155 -3.315 1.00 0.00 C ATOM 1092 O PHE A 74 13.162 10.439 -2.289 1.00 0.00 O ATOM 1093 CB PHE A 74 13.331 9.361 -5.557 1.00 0.00 C ATOM 1094 CG PHE A 74 13.280 9.663 -7.029 1.00 0.00 C ATOM 1095 CD1 PHE A 74 13.901 10.793 -7.537 1.00 0.00 C ATOM 1096 CD2 PHE A 74 12.610 8.821 -7.902 1.00 0.00 C ATOM 1097 CE1 PHE A 74 13.856 11.077 -8.888 1.00 0.00 C ATOM 1098 CE2 PHE A 74 12.562 9.100 -9.256 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.186 10.230 -9.749 1.00 0.00 C ATOM 0 H PHE A 74 15.167 10.823 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 74 12.341 11.220 -5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.306 8.939 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.587 8.599 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.426 11.459 -6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.120 7.937 -7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.344 11.961 -9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.038 8.436 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.150 10.450 -10.806 1.00 0.00 H new ATOM 1109 N LYS A 75 11.409 9.473 -3.307 1.00 0.00 N ATOM 1110 CA LYS A 75 10.813 9.017 -2.057 1.00 0.00 C ATOM 1111 C LYS A 75 9.906 7.807 -2.273 1.00 0.00 C ATOM 1112 O LYS A 75 8.823 7.921 -2.849 1.00 0.00 O ATOM 1113 CB LYS A 75 10.010 10.144 -1.403 1.00 0.00 C ATOM 1114 CG LYS A 75 10.817 11.400 -1.115 1.00 0.00 C ATOM 1115 CD LYS A 75 10.594 12.458 -2.183 1.00 0.00 C ATOM 1116 CE LYS A 75 9.523 13.453 -1.766 1.00 0.00 C ATOM 1117 NZ LYS A 75 9.991 14.349 -0.674 1.00 0.00 N ATOM 0 H LYS A 75 10.883 9.225 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 75 11.630 8.721 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.175 10.404 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.585 9.777 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.536 11.799 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.877 11.150 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.528 12.986 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.302 11.978 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.230 14.053 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.635 12.913 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.387 15.195 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.939 13.845 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.975 14.634 -0.856 1.00 0.00 H new ATOM 1131 N VAL A 76 10.348 6.653 -1.786 1.00 0.00 N ATOM 1132 CA VAL A 76 9.576 5.417 -1.897 1.00 0.00 C ATOM 1133 C VAL A 76 9.023 5.050 -0.565 1.00 0.00 C ATOM 1134 O VAL A 76 8.533 3.939 -0.360 1.00 0.00 O ATOM 1135 CB VAL A 76 10.454 4.244 -2.366 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.798 4.405 -3.838 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.716 4.241 -1.509 1.00 0.00 C ATOM 0 H VAL A 76 11.242 6.546 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 76 8.783 5.595 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 76 9.926 3.297 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.420 3.570 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.881 4.422 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.341 5.339 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.363 3.419 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.245 5.186 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.444 4.116 -0.461 1.00 0.00 H new ATOM 1147 N GLU A 77 9.146 5.985 0.340 1.00 0.00 N ATOM 1148 CA GLU A 77 8.705 5.767 1.703 1.00 0.00 C ATOM 1149 C GLU A 77 8.827 4.289 1.967 1.00 0.00 C ATOM 1150 O GLU A 77 7.945 3.668 2.555 1.00 0.00 O ATOM 1151 CB GLU A 77 7.260 6.233 1.884 1.00 0.00 C ATOM 1152 CG GLU A 77 7.101 7.372 2.875 1.00 0.00 C ATOM 1153 CD GLU A 77 7.036 8.725 2.197 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.076 8.961 1.434 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.946 9.548 2.426 1.00 0.00 O ATOM 0 H GLU A 77 9.547 6.906 0.164 1.00 0.00 H new ATOM 0 HA GLU A 77 9.313 6.338 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.866 6.548 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.655 5.389 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.194 7.218 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.936 7.360 3.575 1.00 0.00 H new ATOM 1162 N ASN A 78 9.924 3.731 1.452 1.00 0.00 N ATOM 1163 CA ASN A 78 10.173 2.308 1.531 1.00 0.00 C ATOM 1164 C ASN A 78 8.948 1.676 2.125 1.00 0.00 C ATOM 1165 O ASN A 78 8.970 1.156 3.233 1.00 0.00 O ATOM 1166 CB ASN A 78 11.362 1.982 2.405 1.00 0.00 C ATOM 1167 CG ASN A 78 11.512 0.490 2.567 1.00 0.00 C ATOM 1168 OD1 ASN A 78 10.745 -0.158 3.272 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.513 -0.045 1.915 1.00 0.00 N ATOM 0 H ASN A 78 10.655 4.257 0.973 1.00 0.00 H new ATOM 0 HA ASN A 78 10.392 1.931 0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.268 2.398 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.240 2.448 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.120 0.541 1.343 1.00 0.00 H new ATOM 1174 N HIS A 79 7.859 1.818 1.416 1.00 0.00 N ATOM 1175 CA HIS A 79 6.593 1.350 1.917 1.00 0.00 C ATOM 1176 C HIS A 79 6.731 0.058 2.686 1.00 0.00 C ATOM 1177 O HIS A 79 6.911 -1.018 2.133 1.00 0.00 O ATOM 1178 CB HIS A 79 5.555 1.274 0.804 1.00 0.00 C ATOM 1179 CG HIS A 79 5.271 2.637 0.281 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.253 2.968 -0.581 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.931 3.780 0.546 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.328 4.283 -0.813 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.332 4.828 -0.149 1.00 0.00 N ATOM 0 H HIS A 79 7.822 2.252 0.494 1.00 0.00 H new ATOM 0 HA HIS A 79 6.227 2.083 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.918 0.635 -0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.638 0.821 1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.789 3.870 1.195 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.656 4.828 -1.459 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.610 5.809 -0.146 1.00 0.00 H new ATOM 1191 N THR A 80 6.666 0.208 3.990 1.00 0.00 N ATOM 1192 CA THR A 80 6.803 -0.916 4.900 1.00 0.00 C ATOM 1193 C THR A 80 5.442 -1.362 5.443 1.00 0.00 C ATOM 1194 O THR A 80 5.338 -2.378 6.131 1.00 0.00 O ATOM 1195 CB THR A 80 7.765 -0.530 6.021 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.119 0.283 6.985 1.00 0.00 O ATOM 1197 CG2 THR A 80 8.975 0.232 5.502 1.00 0.00 C ATOM 0 H THR A 80 6.518 1.106 4.451 1.00 0.00 H new ATOM 0 HA THR A 80 7.213 -1.771 4.363 1.00 0.00 H new ATOM 0 HB THR A 80 8.096 -1.466 6.471 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.284 -0.078 7.881 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.630 0.485 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.518 -0.389 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.645 1.147 5.009 1.00 0.00 H new ATOM 1205 N ALA A 81 4.401 -0.604 5.103 1.00 0.00 N ATOM 1206 CA ALA A 81 3.041 -0.910 5.514 1.00 0.00 C ATOM 1207 C ALA A 81 2.083 -0.047 4.706 1.00 0.00 C ATOM 1208 O ALA A 81 2.331 1.141 4.522 1.00 0.00 O ATOM 1209 CB ALA A 81 2.856 -0.673 7.007 1.00 0.00 C ATOM 0 H ALA A 81 4.482 0.239 4.534 1.00 0.00 H new ATOM 0 HA ALA A 81 2.833 -1.963 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.830 -0.909 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.541 -1.311 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.064 0.372 7.238 1.00 0.00 H new ATOM 1215 N CYS A 82 1.008 -0.640 4.204 1.00 0.00 N ATOM 1216 CA CYS A 82 0.046 0.108 3.400 1.00 0.00 C ATOM 1217 C CYS A 82 -1.316 0.170 4.089 1.00 0.00 C ATOM 1218 O CYS A 82 -1.655 -0.696 4.896 1.00 0.00 O ATOM 1219 CB CYS A 82 -0.103 -0.528 2.013 1.00 0.00 C ATOM 1220 SG CYS A 82 1.478 -0.935 1.204 1.00 0.00 S ATOM 0 H CYS A 82 0.780 -1.625 4.336 1.00 0.00 H new ATOM 0 HA CYS A 82 0.424 1.124 3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -0.696 -1.438 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.662 0.153 1.371 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.098 1.195 3.759 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.426 1.362 4.339 1.00 0.00 C ATOM 1227 C HIS A 83 -4.292 2.274 3.474 1.00 0.00 C ATOM 1228 O HIS A 83 -3.985 3.452 3.291 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.332 1.914 5.763 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.230 3.406 5.834 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.427 4.277 5.177 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -4.014 4.169 6.672 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -2.740 5.536 5.628 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -3.701 5.444 6.528 1.00 0.00 N flip ATOM 0 H HIS A 83 -1.834 1.921 3.093 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.897 0.380 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.210 1.593 6.324 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.462 1.477 6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.768 3.784 7.343 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.275 6.453 5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -4.129 6.224 7.027 1.00 0.00 H new ATOM 1243 N CYS A 84 -5.373 1.712 2.946 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.298 2.456 2.095 1.00 0.00 C ATOM 1245 C CYS A 84 -7.140 3.425 2.920 1.00 0.00 C ATOM 1246 O CYS A 84 -7.618 3.079 4.000 1.00 0.00 O ATOM 1247 CB CYS A 84 -7.213 1.486 1.345 1.00 0.00 C ATOM 1248 SG CYS A 84 -7.570 1.969 -0.375 1.00 0.00 S ATOM 0 H CYS A 84 -5.633 0.737 3.093 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.713 3.032 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.753 0.498 1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.154 1.399 1.888 1.00 0.00 H new ATOM 1253 N SER A 85 -7.321 4.634 2.400 1.00 0.00 N ATOM 1254 CA SER A 85 -8.112 5.651 3.086 1.00 0.00 C ATOM 1255 C SER A 85 -7.847 7.038 2.500 1.00 0.00 C ATOM 1256 O SER A 85 -7.270 7.167 1.422 1.00 0.00 O ATOM 1257 CB SER A 85 -7.802 5.648 4.585 1.00 0.00 C ATOM 1258 OG SER A 85 -8.364 6.782 5.225 1.00 0.00 O ATOM 0 H SER A 85 -6.931 4.934 1.506 1.00 0.00 H new ATOM 0 HA SER A 85 -9.166 5.412 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.195 4.738 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.723 5.639 4.736 1.00 0.00 H new ATOM 0 HG SER A 85 -9.342 6.719 5.202 1.00 0.00 H new ATOM 1264 N THR A 86 -8.276 8.070 3.220 1.00 0.00 N ATOM 1265 CA THR A 86 -8.088 9.445 2.772 1.00 0.00 C ATOM 1266 C THR A 86 -6.640 9.694 2.358 1.00 0.00 C ATOM 1267 O THR A 86 -5.805 8.790 2.406 1.00 0.00 O ATOM 1268 CB THR A 86 -8.483 10.420 3.884 1.00 0.00 C ATOM 1269 OG1 THR A 86 -7.854 10.072 5.103 1.00 0.00 O ATOM 1270 CG2 THR A 86 -9.974 10.470 4.134 1.00 0.00 C ATOM 0 H THR A 86 -8.756 7.980 4.116 1.00 0.00 H new ATOM 0 HA THR A 86 -8.727 9.608 1.904 1.00 0.00 H new ATOM 0 HB THR A 86 -8.156 11.400 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.118 10.708 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.185 11.180 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.485 10.785 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.328 9.481 4.424 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.352 10.927 1.955 1.00 0.00 N ATOM 1279 CA CYS A 87 -5.007 11.302 1.534 1.00 0.00 C ATOM 1280 C CYS A 87 -4.776 12.797 1.736 1.00 0.00 C ATOM 1281 O CYS A 87 -5.085 13.607 0.863 1.00 0.00 O ATOM 1282 CB CYS A 87 -4.780 10.931 0.066 1.00 0.00 C ATOM 1283 SG CYS A 87 -4.497 9.152 -0.213 1.00 0.00 S ATOM 0 H CYS A 87 -7.033 11.685 1.911 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.295 10.753 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.646 11.246 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.922 11.488 -0.311 1.00 0.00 H new ATOM 1288 N TYR A 88 -4.232 13.154 2.896 1.00 0.00 N ATOM 1289 CA TYR A 88 -3.958 14.551 3.218 1.00 0.00 C ATOM 1290 C TYR A 88 -2.457 14.800 3.326 1.00 0.00 C ATOM 1291 O TYR A 88 -1.738 14.043 3.977 1.00 0.00 O ATOM 1292 CB TYR A 88 -4.648 14.934 4.530 1.00 0.00 C ATOM 1293 CG TYR A 88 -4.889 16.419 4.678 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -5.731 17.096 3.804 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -4.274 17.144 5.691 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -5.952 18.455 3.937 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -4.490 18.501 5.830 1.00 0.00 C ATOM 1298 CZ TYR A 88 -5.330 19.153 4.951 1.00 0.00 C ATOM 1299 OH TYR A 88 -5.546 20.505 5.085 1.00 0.00 O ATOM 0 H TYR A 88 -3.972 12.494 3.629 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.352 15.171 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.603 14.412 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.039 14.589 5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.220 16.553 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.616 16.638 6.382 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.609 18.967 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.004 19.049 6.623 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.034 20.844 5.849 1.00 0.00 H new ATOM 1309 N TYR A 89 -1.991 15.870 2.686 1.00 0.00 N ATOM 1310 CA TYR A 89 -0.575 16.220 2.715 1.00 0.00 C ATOM 1311 C TYR A 89 -0.380 17.719 2.511 1.00 0.00 C ATOM 1312 O TYR A 89 -0.102 18.453 3.459 1.00 0.00 O ATOM 1313 CB TYR A 89 0.192 15.441 1.643 1.00 0.00 C ATOM 1314 CG TYR A 89 1.685 15.385 1.884 1.00 0.00 C ATOM 1315 CD1 TYR A 89 2.397 16.522 2.252 1.00 0.00 C ATOM 1316 CD2 TYR A 89 2.383 14.192 1.746 1.00 0.00 C ATOM 1317 CE1 TYR A 89 3.760 16.469 2.474 1.00 0.00 C ATOM 1318 CE2 TYR A 89 3.746 14.131 1.966 1.00 0.00 C ATOM 1319 CZ TYR A 89 4.429 15.272 2.331 1.00 0.00 C ATOM 1320 OH TYR A 89 5.785 15.216 2.553 1.00 0.00 O ATOM 0 H TYR A 89 -2.573 16.508 2.142 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.182 15.951 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.198 14.424 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.007 15.899 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.876 17.461 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.851 13.296 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.299 17.361 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 89 4.273 13.195 1.853 1.00 0.00 H new ATOM 0 HH TYR A 89 6.102 14.300 2.411 1.00 0.00 H new ATOM 1330 N HIS A 90 -0.523 18.169 1.267 1.00 0.00 N ATOM 1331 CA HIS A 90 -0.357 19.582 0.950 1.00 0.00 C ATOM 1332 C HIS A 90 -0.540 19.837 -0.545 1.00 0.00 C ATOM 1333 O HIS A 90 -0.412 18.925 -1.362 1.00 0.00 O ATOM 1334 CB HIS A 90 1.023 20.063 1.401 1.00 0.00 C ATOM 1335 CG HIS A 90 1.203 21.545 1.306 1.00 0.00 C ATOM 1336 ND1 HIS A 90 1.433 22.200 0.114 1.00 0.00 N ATOM 1337 CD2 HIS A 90 1.185 22.504 2.262 1.00 0.00 C ATOM 1338 CE1 HIS A 90 1.548 23.496 0.341 1.00 0.00 C ATOM 1339 NE2 HIS A 90 1.401 23.708 1.636 1.00 0.00 N ATOM 0 H HIS A 90 -0.752 17.579 0.467 1.00 0.00 H new ATOM 0 HA HIS A 90 -1.124 20.142 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.188 19.751 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.785 19.574 0.794 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.503 21.753 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.030 22.351 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.731 24.254 -0.406 1.00 0.00 H new ATOM 1348 N LYS A 91 -0.844 21.084 -0.892 1.00 0.00 N ATOM 1349 CA LYS A 91 -1.051 21.466 -2.286 1.00 0.00 C ATOM 1350 C LYS A 91 0.228 22.038 -2.892 1.00 0.00 C ATOM 1351 O LYS A 91 0.834 22.955 -2.339 1.00 0.00 O ATOM 1352 CB LYS A 91 -2.182 22.495 -2.385 1.00 0.00 C ATOM 1353 CG LYS A 91 -3.040 22.342 -3.631 1.00 0.00 C ATOM 1354 CD LYS A 91 -3.439 23.691 -4.207 1.00 0.00 C ATOM 1355 CE LYS A 91 -4.300 23.532 -5.450 1.00 0.00 C ATOM 1356 NZ LYS A 91 -5.622 22.925 -5.134 1.00 0.00 N ATOM 0 H LYS A 91 -0.953 21.849 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.326 20.573 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.818 22.409 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.752 23.497 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.493 21.773 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.936 21.770 -3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.984 24.262 -3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.544 24.262 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.450 24.506 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.778 22.909 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.247 23.003 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.494 21.922 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.050 23.425 -4.329 1.00 0.00 H new ATOM 1370 N SER A 92 0.633 21.490 -4.035 1.00 0.00 N ATOM 1371 CA SER A 92 1.838 21.943 -4.718 1.00 0.00 C ATOM 1372 C SER A 92 3.079 21.676 -3.872 1.00 0.00 C ATOM 1373 O SER A 92 3.528 22.608 -3.173 1.00 0.00 O ATOM 1374 CB SER A 92 1.738 23.435 -5.043 1.00 0.00 C ATOM 1375 OG SER A 92 3.020 23.993 -5.279 1.00 0.00 O ATOM 1376 OXT SER A 92 3.592 20.538 -3.918 1.00 0.00 O ATOM 0 H SER A 92 0.142 20.730 -4.507 1.00 0.00 H new ATOM 0 HA SER A 92 1.928 21.382 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.109 23.578 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.256 23.959 -4.217 1.00 0.00 H new ATOM 0 HG SER A 92 3.550 23.955 -4.455 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.732 -1.462 1.919 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.182 -1.705 2.288 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.460 -3.190 2.429 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.460 -3.827 3.370 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.041 -3.518 2.924 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.001 -4.054 3.890 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.930 -0.211 1.572 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.820 0.306 0.455 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.048 -1.158 1.262 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.769 -3.372 2.947 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.654 -5.251 3.366 1.00 0.00 O HETATM 1394 O5 NAG A 178 11.832 -2.100 2.836 1.00 0.00 O HETATM 1395 O6 NAG A 178 11.190 -3.528 5.195 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.045 0.247 2.709 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.566 -2.625 5.133 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.953 -4.330 3.042 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.981 -1.499 0.303 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.409 -0.516 0.049 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.202 0.734 -0.334 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.489 1.072 0.848 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.004 -3.797 3.533 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.058 -5.142 3.922 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.926 -3.999 1.953 1.00 0.00 H new HETATM 0 H4 NAG A 178 13.611 -3.427 4.372 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.374 -3.661 1.450 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.378 -1.215 3.242 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.595 -5.879 4.597 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.682 -7.386 4.401 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.728 -8.085 5.741 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.847 -7.518 6.593 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.736 -6.008 6.703 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.920 -5.392 7.425 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.304 -7.416 2.419 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.989 -7.807 1.765 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.521 -7.845 3.660 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.955 -9.472 5.536 1.00 0.00 O HETATM 1420 O4 NAG A 179 14.753 -8.072 7.906 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.680 -5.391 5.397 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.139 -5.663 6.748 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.120 -6.740 1.793 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.970 -5.734 5.785 1.00 0.00 H new HETATM 0 HO3 NAG A 179 13.987 -9.930 6.402 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.869 -8.499 4.092 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.918 -8.893 1.712 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.159 -7.417 2.355 1.00 0.00 H new HETATM 0 H81 NAG A 179 10.945 -7.391 0.758 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.778 -4.314 7.505 1.00 0.00 H new HETATM 0 H61 NAG A 179 15.972 -5.783 8.441 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.820 -5.826 7.265 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.799 -7.771 6.126 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.779 -7.931 6.254 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.591 -7.619 3.846 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.946 -8.394 8.515 1.00 0.00 C HETATM 1438 C2 BMA A 180 15.666 -8.794 9.949 1.00 0.00 C HETATM 1439 C3 BMA A 180 16.933 -9.309 10.618 1.00 0.00 C HETATM 1440 C4 BMA A 180 17.566 -10.406 9.773 1.00 0.00 C HETATM 1441 C5 BMA A 180 17.778 -9.924 8.344 1.00 0.00 C HETATM 1442 C6 BMA A 180 18.284 -11.011 7.419 1.00 0.00 C HETATM 1443 O2 BMA A 180 14.685 -9.818 9.955 1.00 0.00 O HETATM 1444 O3 BMA A 180 16.611 -9.839 11.922 1.00 0.00 O HETATM 1445 O4 BMA A 180 18.822 -10.758 10.336 1.00 0.00 O HETATM 1446 O5 BMA A 180 16.545 -9.456 7.769 1.00 0.00 O HETATM 1447 O6 BMA A 180 19.289 -11.809 8.069 1.00 0.00 O HETATM 0 HO4 BMA A 180 19.466 -10.931 9.617 1.00 0.00 H new HETATM 0 HO2 BMA A 180 14.005 -9.624 9.277 1.00 0.00 H new HETATM 0 H62 BMA A 180 17.454 -11.646 7.109 1.00 0.00 H new HETATM 0 H61 BMA A 180 18.698 -10.563 6.516 1.00 0.00 H new HETATM 0 H5 BMA A 180 18.520 -9.130 8.425 1.00 0.00 H new HETATM 0 H4 BMA A 180 16.901 -11.270 9.759 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.638 -8.483 10.719 1.00 0.00 H new HETATM 0 H2 BMA A 180 15.310 -7.923 10.499 1.00 0.00 H new HETATM 1457 C1 MAN A 181 16.007 -8.934 12.805 1.00 0.00 C HETATM 1458 C2 MAN A 181 15.971 -9.553 14.191 1.00 0.00 C HETATM 1459 C3 MAN A 181 15.021 -10.735 14.230 1.00 0.00 C HETATM 1460 C4 MAN A 181 13.650 -10.325 13.729 1.00 0.00 C HETATM 1461 C5 MAN A 181 13.755 -9.680 12.356 1.00 0.00 C HETATM 1462 C6 MAN A 181 12.431 -9.113 11.885 1.00 0.00 C HETATM 1463 O2 MAN A 181 15.513 -8.561 15.126 1.00 0.00 O HETATM 1464 O3 MAN A 181 14.912 -11.195 15.569 1.00 0.00 O HETATM 1465 O4 MAN A 181 12.823 -11.477 13.641 1.00 0.00 O HETATM 1466 O5 MAN A 181 14.694 -8.583 12.367 1.00 0.00 O HETATM 1467 O6 MAN A 181 11.439 -10.125 11.792 1.00 0.00 O HETATM 0 HO6 MAN A 181 10.596 -9.729 11.488 1.00 0.00 H new HETATM 0 HO4 MAN A 181 12.127 -11.330 12.967 1.00 0.00 H new HETATM 0 HO3 MAN A 181 15.660 -10.845 16.097 1.00 0.00 H new HETATM 0 H62 MAN A 181 12.099 -8.338 12.576 1.00 0.00 H new HETATM 0 H61 MAN A 181 12.562 -8.639 10.912 1.00 0.00 H new HETATM 0 H5 MAN A 181 14.082 -10.474 11.685 1.00 0.00 H new HETATM 0 H4 MAN A 181 13.221 -9.604 14.425 1.00 0.00 H new HETATM 0 H3 MAN A 181 15.408 -11.527 13.589 1.00 0.00 H new HETATM 0 H2 MAN A 181 16.972 -9.899 14.449 1.00 0.00 H new HETATM 1478 C1 MAN A 182 18.795 -13.077 8.380 1.00 0.00 C HETATM 1479 C2 MAN A 182 19.960 -14.037 8.546 1.00 0.00 C HETATM 1480 C3 MAN A 182 20.664 -14.268 7.218 1.00 0.00 C HETATM 1481 C4 MAN A 182 19.665 -14.707 6.163 1.00 0.00 C HETATM 1482 C5 MAN A 182 18.515 -13.717 6.078 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.424 -14.174 5.132 1.00 0.00 C HETATM 1484 O2 MAN A 182 19.450 -15.289 9.022 1.00 0.00 O HETATM 1485 O3 MAN A 182 21.646 -15.281 7.384 1.00 0.00 O HETATM 1486 O4 MAN A 182 20.317 -14.778 4.903 1.00 0.00 O HETATM 1487 O5 MAN A 182 17.900 -13.537 7.369 1.00 0.00 O HETATM 1488 O6 MAN A 182 16.883 -15.424 5.534 1.00 0.00 O HETATM 0 HO6 MAN A 182 16.987 -15.529 6.503 1.00 0.00 H new HETATM 0 HO4 MAN A 182 19.798 -15.349 4.298 1.00 0.00 H new HETATM 0 HO3 MAN A 182 21.356 -15.907 8.081 1.00 0.00 H new HETATM 0 H62 MAN A 182 16.632 -13.426 5.099 1.00 0.00 H new HETATM 0 H61 MAN A 182 17.826 -14.257 4.122 1.00 0.00 H new HETATM 0 H5 MAN A 182 18.953 -12.788 5.711 1.00 0.00 H new HETATM 0 H4 MAN A 182 19.269 -15.685 6.435 1.00 0.00 H new HETATM 0 H3 MAN A 182 21.134 -13.339 6.896 1.00 0.00 H new HETATM 0 H2 MAN A 182 20.675 -13.611 9.250 1.00 0.00 H new HETATM 1499 C1 NAG A 183 19.694 -15.585 10.347 1.00 0.00 C HETATM 1500 C2 NAG A 183 19.170 -16.995 10.641 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.540 -17.409 12.056 1.00 0.00 C HETATM 1502 C4 NAG A 183 21.034 -17.266 12.268 1.00 0.00 C HETATM 1503 C5 NAG A 183 21.484 -15.859 11.900 1.00 0.00 C HETATM 1504 C6 NAG A 183 22.987 -15.688 11.978 1.00 0.00 C HETATM 1505 C7 NAG A 183 16.944 -16.614 11.485 1.00 0.00 C HETATM 1506 C8 NAG A 183 15.575 -16.065 11.121 1.00 0.00 C HETATM 1507 N2 NAG A 183 17.724 -17.011 10.480 1.00 0.00 N HETATM 1508 O3 NAG A 183 19.164 -18.764 12.260 1.00 0.00 O HETATM 1509 O4 NAG A 183 21.343 -17.522 13.652 1.00 0.00 O HETATM 1510 O5 NAG A 183 21.105 -15.534 10.549 1.00 0.00 O HETATM 1511 O6 NAG A 183 23.392 -14.445 11.424 1.00 0.00 O HETATM 1512 O7 NAG A 183 17.274 -16.686 12.667 1.00 0.00 O HETATM 0 HO6 NAG A 183 22.836 -14.238 10.644 1.00 0.00 H new HETATM 0 HO3 NAG A 183 18.213 -18.808 12.492 1.00 0.00 H new HETATM 0 HN2 NAG A 183 17.309 -17.324 9.602 1.00 0.00 H new HETATM 0 H83 NAG A 183 15.692 -15.192 10.479 1.00 0.00 H new HETATM 0 H82 NAG A 183 15.005 -16.830 10.593 1.00 0.00 H new HETATM 0 H81 NAG A 183 15.044 -15.779 12.029 1.00 0.00 H new HETATM 0 H62 NAG A 183 23.309 -15.748 13.018 1.00 0.00 H new HETATM 0 H61 NAG A 183 23.477 -16.503 11.445 1.00 0.00 H new HETATM 0 H5 NAG A 183 20.998 -15.203 12.622 1.00 0.00 H new HETATM 0 H4 NAG A 183 21.556 -17.982 11.633 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.017 -16.767 12.765 1.00 0.00 H new HETATM 0 H2 NAG A 183 19.623 -17.701 9.944 1.00 0.00 H new HETATM 1526 C1 NAG A 184 16.312 -8.352 16.232 1.00 0.00 C HETATM 1527 C2 NAG A 184 15.540 -7.509 17.257 1.00 0.00 C HETATM 1528 C3 NAG A 184 16.297 -7.434 18.573 1.00 0.00 C HETATM 1529 C4 NAG A 184 16.649 -8.826 19.047 1.00 0.00 C HETATM 1530 C5 NAG A 184 17.440 -9.543 17.971 1.00 0.00 C HETATM 1531 C6 NAG A 184 17.824 -10.953 18.371 1.00 0.00 C HETATM 1532 C7 NAG A 184 16.425 -5.424 16.433 1.00 0.00 C HETATM 1533 C8 NAG A 184 16.168 -4.036 15.871 1.00 0.00 C HETATM 1534 N2 NAG A 184 15.366 -6.167 16.737 1.00 0.00 N HETATM 1535 O3 NAG A 184 15.486 -6.794 19.547 1.00 0.00 O HETATM 1536 O4 NAG A 184 17.424 -8.751 20.264 1.00 0.00 O HETATM 1537 O5 NAG A 184 16.663 -9.639 16.765 1.00 0.00 O HETATM 1538 O6 NAG A 184 18.580 -11.590 17.350 1.00 0.00 O HETATM 1539 O7 NAG A 184 17.582 -5.816 16.590 1.00 0.00 O HETATM 0 HO6 NAG A 184 18.324 -11.225 16.477 1.00 0.00 H new HETATM 0 HO3 NAG A 184 15.711 -7.137 20.437 1.00 0.00 H new HETATM 0 HN2 NAG A 184 14.427 -5.792 16.604 1.00 0.00 H new HETATM 0 H83 NAG A 184 15.598 -4.118 14.946 1.00 0.00 H new HETATM 0 H82 NAG A 184 15.602 -3.449 16.595 1.00 0.00 H new HETATM 0 H81 NAG A 184 17.119 -3.543 15.669 1.00 0.00 H new HETATM 0 H62 NAG A 184 18.404 -10.927 19.294 1.00 0.00 H new HETATM 0 H61 NAG A 184 16.924 -11.533 18.576 1.00 0.00 H new HETATM 0 H5 NAG A 184 18.346 -8.956 17.820 1.00 0.00 H new HETATM 0 H4 NAG A 184 15.732 -9.381 19.248 1.00 0.00 H new HETATM 0 H3 NAG A 184 17.215 -6.864 18.426 1.00 0.00 H new HETATM 0 H2 NAG A 184 14.572 -7.977 17.433 1.00 0.00 H new HETATM 1553 C1 GAL A 185 18.601 -8.022 20.225 1.00 0.00 C HETATM 1554 C2 GAL A 185 19.181 -7.933 21.630 1.00 0.00 C HETATM 1555 C3 GAL A 185 20.539 -7.257 21.605 1.00 0.00 C HETATM 1556 C4 GAL A 185 21.448 -7.930 20.594 1.00 0.00 C HETATM 1557 C5 GAL A 185 20.771 -8.004 19.233 1.00 0.00 C HETATM 1558 C6 GAL A 185 21.596 -8.769 18.218 1.00 0.00 C HETATM 1559 O2 GAL A 185 18.301 -7.178 22.448 1.00 0.00 O HETATM 1560 O3 GAL A 185 21.128 -7.348 22.895 1.00 0.00 O HETATM 1561 O4 GAL A 185 21.743 -9.245 21.040 1.00 0.00 O HETATM 1562 O5 GAL A 185 19.502 -8.679 19.325 1.00 0.00 O HETATM 1563 O6 GAL A 185 21.831 -10.104 18.644 1.00 0.00 O HETATM 0 HO6 GAL A 185 22.364 -10.574 17.969 1.00 0.00 H new HETATM 0 HO4 GAL A 185 21.556 -9.884 20.321 1.00 0.00 H new HETATM 0 HO3 GAL A 185 21.722 -8.127 22.929 1.00 0.00 H new HETATM 0 HO2 GAL A 185 18.668 -7.118 23.355 1.00 0.00 H new HETATM 0 H62 GAL A 185 21.079 -8.777 17.258 1.00 0.00 H new HETATM 0 H61 GAL A 185 22.548 -8.261 18.063 1.00 0.00 H new HETATM 0 H5 GAL A 185 20.650 -6.970 18.911 1.00 0.00 H new HETATM 0 H4 GAL A 185 22.365 -7.348 20.499 1.00 0.00 H new HETATM 0 H3 GAL A 185 20.409 -6.212 21.322 1.00 0.00 H new HETATM 0 H2 GAL A 185 19.297 -8.941 22.028 1.00 0.00 H new HETATM 1575 C1 GAL A 186 22.584 -18.085 13.906 1.00 0.00 C HETATM 1576 C2 GAL A 186 22.725 -18.366 15.396 1.00 0.00 C HETATM 1577 C3 GAL A 186 24.034 -19.082 15.683 1.00 0.00 C HETATM 1578 C4 GAL A 186 24.181 -20.302 14.790 1.00 0.00 C HETATM 1579 C5 GAL A 186 23.973 -19.926 13.330 1.00 0.00 C HETATM 1580 C6 GAL A 186 24.003 -21.133 12.415 1.00 0.00 C HETATM 1581 O2 GAL A 186 22.702 -17.135 16.103 1.00 0.00 O HETATM 1582 O3 GAL A 186 24.052 -19.495 17.042 1.00 0.00 O HETATM 1583 O4 GAL A 186 23.212 -21.271 15.162 1.00 0.00 O HETATM 1584 O5 GAL A 186 22.696 -19.290 13.140 1.00 0.00 O HETATM 1585 O6 GAL A 186 23.017 -22.087 12.781 1.00 0.00 O HETATM 0 HO6 GAL A 186 23.061 -22.853 12.171 1.00 0.00 H new HETATM 0 HO4 GAL A 186 22.728 -21.572 14.365 1.00 0.00 H new HETATM 0 HO3 GAL A 186 23.662 -20.391 17.117 1.00 0.00 H new HETATM 0 HO2 GAL A 186 22.791 -17.308 17.064 1.00 0.00 H new HETATM 0 H62 GAL A 186 23.839 -20.815 11.385 1.00 0.00 H new HETATM 0 H61 GAL A 186 24.990 -21.595 12.452 1.00 0.00 H new HETATM 0 H5 GAL A 186 24.792 -19.252 13.080 1.00 0.00 H new HETATM 0 H4 GAL A 186 25.186 -20.706 14.910 1.00 0.00 H new HETATM 0 H3 GAL A 186 24.860 -18.398 15.485 1.00 0.00 H new HETATM 0 H2 GAL A 186 21.900 -19.002 15.716 1.00 0.00 H new