USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1049 hydrogens (0 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 Set 1.1: A 111 ASN : amide:sc= -3.65! K(o=-3.7!,f=-0.19) USER MOD Set 1.2: A 141 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.107 X(o=0.11,f=0.023) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0.00464 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= 0.421 USER MOD Set 4.2: A 18 GLN : amide:sc= 0.282 K(o=0.7,f=-0.35) USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 139 LYS NZ :NH3+ -129:sc= -0.473 (180deg=-1.8!) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 0 (180deg=-0.0464) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -62:sc= 0.548 USER MOD Single : A 29 THR OG1 : rot 53:sc= 0.0882 USER MOD Single : A 31 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.31) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -1.94 (180deg=-2.26!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0492 K(o=-0.049,f=-3.4!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.075) USER MOD Single : A 61 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.31) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0126 (180deg=-0.201) USER MOD Single : A 66 TYR OH : rot 1:sc= 1.23 USER MOD Single : A 68 ASN : amide:sc= 2.01 K(o=2,f=-6.3!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 81:sc= 0.416 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= 0.728 (180deg=-1.21!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -1:sc= 0.841 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.5!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.304 K(o=0.3,f=-10!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 112 TYR OH : rot 66:sc= 1.92 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 65:sc= 0.358 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.0905 X(o=-0.091,f=0) USER MOD Single : A 130 THR OG1 : rot 147:sc= 0.175 USER MOD Single : A 132 SER OG : rot 152:sc= 0.0334 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0494 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -21.773 -1.141 -5.727 1.00 4.07 N ATOM 2 CA GLU A 1 -20.710 -0.162 -5.412 1.00 3.34 C ATOM 3 C GLU A 1 -19.564 -0.272 -6.405 1.00 2.61 C ATOM 4 O GLU A 1 -18.772 -1.211 -6.344 1.00 3.01 O ATOM 5 CB GLU A 1 -20.171 -0.387 -3.996 1.00 4.00 C ATOM 6 CG GLU A 1 -21.167 -0.051 -2.903 1.00 4.80 C ATOM 7 CD GLU A 1 -21.542 1.415 -2.898 1.00 5.32 C ATOM 8 OE1 GLU A 1 -20.780 2.224 -2.332 1.00 5.73 O ATOM 9 OE2 GLU A 1 -22.596 1.762 -3.466 1.00 5.64 O ATOM 0 H1 GLU A 1 -22.595 -0.971 -5.113 1.00 4.07 H new ATOM 0 H2 GLU A 1 -22.057 -1.037 -6.722 1.00 4.07 H new ATOM 0 H3 GLU A 1 -21.416 -2.105 -5.568 1.00 4.07 H new ATOM 0 HA GLU A 1 -21.147 0.834 -5.478 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -19.870 -1.430 -3.893 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -19.275 0.218 -3.857 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -22.066 -0.653 -3.036 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -20.744 -0.319 -1.935 1.00 4.80 H new ATOM 16 N GLU A 2 -19.486 0.681 -7.323 1.00 1.89 N ATOM 17 CA GLU A 2 -18.360 0.755 -8.244 1.00 1.43 C ATOM 18 C GLU A 2 -17.322 1.686 -7.663 1.00 1.13 C ATOM 19 O GLU A 2 -17.426 2.903 -7.794 1.00 1.31 O ATOM 20 CB GLU A 2 -18.771 1.278 -9.620 1.00 1.72 C ATOM 21 CG GLU A 2 -17.625 1.291 -10.624 1.00 1.73 C ATOM 22 CD GLU A 2 -17.965 2.033 -11.901 1.00 2.37 C ATOM 23 OE1 GLU A 2 -18.853 1.565 -12.654 1.00 2.54 O ATOM 24 OE2 GLU A 2 -17.365 3.094 -12.152 1.00 3.08 O ATOM 0 H GLU A 2 -20.186 1.412 -7.450 1.00 1.89 H new ATOM 0 HA GLU A 2 -17.966 -0.253 -8.373 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -19.580 0.660 -10.010 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -19.165 2.289 -9.515 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -16.751 1.752 -10.164 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -17.352 0.265 -10.868 1.00 1.73 H new ATOM 31 N CYS A 3 -16.338 1.120 -7.014 1.00 1.08 N ATOM 32 CA CYS A 3 -15.352 1.922 -6.327 1.00 0.96 C ATOM 33 C CYS A 3 -14.046 1.909 -7.090 1.00 0.83 C ATOM 34 O CYS A 3 -13.264 0.960 -7.009 1.00 0.96 O ATOM 35 CB CYS A 3 -15.146 1.428 -4.901 1.00 1.25 C ATOM 36 SG CYS A 3 -14.376 2.652 -3.794 1.00 1.43 S ATOM 0 H CYS A 3 -16.196 0.112 -6.945 1.00 1.08 H new ATOM 0 HA CYS A 3 -15.717 2.948 -6.277 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -16.111 1.135 -4.486 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -14.524 0.533 -4.924 1.00 1.25 H new ATOM 41 N GLN A 4 -13.836 2.961 -7.849 1.00 0.67 N ATOM 42 CA GLN A 4 -12.638 3.111 -8.633 1.00 0.59 C ATOM 43 C GLN A 4 -11.552 3.759 -7.787 1.00 0.54 C ATOM 44 O GLN A 4 -11.646 4.931 -7.421 1.00 0.53 O ATOM 45 CB GLN A 4 -12.951 3.952 -9.866 1.00 0.59 C ATOM 46 CG GLN A 4 -11.740 4.288 -10.718 1.00 1.45 C ATOM 47 CD GLN A 4 -12.108 5.074 -11.960 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.094 5.811 -11.976 1.00 2.29 O ATOM 49 NE2 GLN A 4 -11.314 4.928 -13.005 1.00 1.92 N ATOM 0 H GLN A 4 -14.494 3.736 -7.938 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.277 2.136 -8.959 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.676 3.418 -10.481 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.425 4.880 -9.547 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -11.030 4.863 -10.124 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -11.238 3.366 -11.010 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -10.507 4.307 -12.949 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -11.508 5.436 -13.868 1.00 1.92 H new ATOM 58 N VAL A 5 -10.538 2.981 -7.458 1.00 0.56 N ATOM 59 CA VAL A 5 -9.441 3.470 -6.646 1.00 0.57 C ATOM 60 C VAL A 5 -8.225 3.743 -7.515 1.00 0.57 C ATOM 61 O VAL A 5 -7.630 2.826 -8.085 1.00 0.66 O ATOM 62 CB VAL A 5 -9.075 2.463 -5.533 1.00 0.68 C ATOM 63 CG1 VAL A 5 -7.872 2.938 -4.734 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.266 2.234 -4.613 1.00 1.51 C ATOM 0 H VAL A 5 -10.452 2.005 -7.742 1.00 0.56 H new ATOM 0 HA VAL A 5 -9.763 4.398 -6.174 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.810 1.518 -6.008 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.639 2.208 -3.959 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.015 3.048 -5.398 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.099 3.899 -4.272 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -9.993 1.522 -3.834 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.559 3.179 -4.155 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.101 1.837 -5.191 1.00 1.51 H new ATOM 74 N ARG A 6 -7.872 5.010 -7.633 1.00 0.57 N ATOM 75 CA ARG A 6 -6.716 5.399 -8.416 1.00 0.64 C ATOM 76 C ARG A 6 -5.490 5.491 -7.525 1.00 0.58 C ATOM 77 O ARG A 6 -5.404 6.368 -6.663 1.00 0.65 O ATOM 78 CB ARG A 6 -6.946 6.744 -9.101 1.00 0.80 C ATOM 79 CG ARG A 6 -8.174 6.784 -9.992 1.00 1.47 C ATOM 80 CD ARG A 6 -8.345 8.151 -10.636 1.00 1.67 C ATOM 81 NE ARG A 6 -8.518 9.214 -9.645 1.00 1.92 N ATOM 82 CZ ARG A 6 -9.289 10.281 -9.829 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.961 10.434 -10.963 1.00 3.23 N ATOM 84 NH2 ARG A 6 -9.370 11.212 -8.886 1.00 3.57 N ATOM 0 H ARG A 6 -8.370 5.786 -7.196 1.00 0.57 H new ATOM 0 HA ARG A 6 -6.557 4.639 -9.181 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.039 7.517 -8.338 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.068 6.990 -9.699 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -8.088 6.023 -10.767 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.060 6.543 -9.405 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -7.474 8.371 -11.253 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -9.209 8.132 -11.300 1.00 1.67 H new ATOM 0 HE ARG A 6 -8.017 9.131 -8.760 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.887 9.731 -11.698 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -10.551 11.255 -11.099 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -8.841 11.108 -8.020 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -9.962 12.031 -9.027 1.00 3.57 H new ATOM 98 N VAL A 7 -4.560 4.577 -7.715 1.00 0.58 N ATOM 99 CA VAL A 7 -3.310 4.620 -6.986 1.00 0.57 C ATOM 100 C VAL A 7 -2.314 5.472 -7.758 1.00 0.68 C ATOM 101 O VAL A 7 -1.928 5.127 -8.874 1.00 0.85 O ATOM 102 CB VAL A 7 -2.732 3.207 -6.765 1.00 0.64 C ATOM 103 CG1 VAL A 7 -1.432 3.272 -5.975 1.00 1.20 C ATOM 104 CG2 VAL A 7 -3.745 2.316 -6.060 1.00 1.26 C ATOM 0 H VAL A 7 -4.646 3.797 -8.367 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.498 5.056 -6.005 1.00 0.57 H new ATOM 0 HB VAL A 7 -2.515 2.773 -7.741 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.043 2.264 -5.831 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -0.702 3.868 -6.523 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.619 3.731 -5.004 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -3.318 1.324 -5.914 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -3.998 2.748 -5.092 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -4.646 2.237 -6.669 1.00 1.26 H new ATOM 114 N GLY A 8 -1.929 6.594 -7.169 1.00 0.77 N ATOM 115 CA GLY A 8 -1.030 7.516 -7.830 1.00 0.96 C ATOM 116 C GLY A 8 0.346 6.931 -8.055 1.00 0.75 C ATOM 117 O GLY A 8 1.081 6.671 -7.102 1.00 0.86 O ATOM 0 H GLY A 8 -2.226 6.884 -6.237 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.457 7.808 -8.789 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.941 8.422 -7.231 1.00 0.96 H new ATOM 121 N ASP A 9 0.683 6.705 -9.315 1.00 0.57 N ATOM 122 CA ASP A 9 2.003 6.212 -9.682 1.00 0.45 C ATOM 123 C ASP A 9 3.021 7.330 -9.512 1.00 0.50 C ATOM 124 O ASP A 9 3.050 8.283 -10.294 1.00 0.73 O ATOM 125 CB ASP A 9 1.994 5.711 -11.126 1.00 0.56 C ATOM 126 CG ASP A 9 3.261 4.977 -11.527 1.00 1.37 C ATOM 127 OD1 ASP A 9 4.337 5.615 -11.543 1.00 1.77 O ATOM 128 OD2 ASP A 9 3.198 3.761 -11.801 1.00 2.18 O ATOM 0 H ASP A 9 0.057 6.856 -10.106 1.00 0.57 H new ATOM 0 HA ASP A 9 2.275 5.379 -9.033 1.00 0.45 H new ATOM 0 HB2 ASP A 9 1.141 5.047 -11.265 1.00 0.56 H new ATOM 0 HB3 ASP A 9 1.850 6.560 -11.794 1.00 0.56 H new ATOM 133 N LEU A 10 3.830 7.225 -8.473 1.00 0.52 N ATOM 134 CA LEU A 10 4.781 8.269 -8.142 1.00 0.65 C ATOM 135 C LEU A 10 6.127 7.677 -7.750 1.00 0.49 C ATOM 136 O LEU A 10 6.212 6.532 -7.298 1.00 0.57 O ATOM 137 CB LEU A 10 4.219 9.159 -7.021 1.00 0.95 C ATOM 138 CG LEU A 10 3.670 8.421 -5.789 1.00 0.76 C ATOM 139 CD1 LEU A 10 4.791 7.996 -4.848 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.663 9.292 -5.056 1.00 1.41 C ATOM 0 H LEU A 10 3.847 6.424 -7.842 1.00 0.52 H new ATOM 0 HA LEU A 10 4.940 8.887 -9.026 1.00 0.65 H new ATOM 0 HB2 LEU A 10 5.007 9.837 -6.693 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.421 9.774 -7.437 1.00 0.95 H new ATOM 0 HG LEU A 10 3.168 7.518 -6.137 1.00 0.76 H new ATOM 0 HD11 LEU A 10 4.367 7.477 -3.988 1.00 1.05 H new ATOM 0 HD12 LEU A 10 5.474 7.329 -5.374 1.00 1.05 H new ATOM 0 HD13 LEU A 10 5.335 8.878 -4.508 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.283 8.756 -4.186 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.147 10.213 -4.732 1.00 1.41 H new ATOM 0 HD23 LEU A 10 1.836 9.532 -5.724 1.00 1.41 H new ATOM 152 N THR A 11 7.174 8.458 -7.936 1.00 0.49 N ATOM 153 CA THR A 11 8.514 8.030 -7.596 1.00 0.47 C ATOM 154 C THR A 11 9.108 8.952 -6.538 1.00 0.53 C ATOM 155 O THR A 11 9.170 10.168 -6.725 1.00 0.66 O ATOM 156 CB THR A 11 9.417 8.011 -8.842 1.00 0.63 C ATOM 157 OG1 THR A 11 8.844 7.156 -9.841 1.00 1.03 O ATOM 158 CG2 THR A 11 10.819 7.528 -8.501 1.00 0.99 C ATOM 0 H THR A 11 7.119 9.400 -8.324 1.00 0.49 H new ATOM 0 HA THR A 11 8.456 7.017 -7.197 1.00 0.47 H new ATOM 0 HB THR A 11 9.490 9.030 -9.223 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.420 7.147 -10.634 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.432 7.526 -9.402 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.263 8.194 -7.761 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.767 6.518 -8.095 1.00 0.99 H new ATOM 166 N VAL A 12 9.523 8.374 -5.426 1.00 0.52 N ATOM 167 CA VAL A 12 10.099 9.140 -4.336 1.00 0.63 C ATOM 168 C VAL A 12 11.512 8.645 -4.047 1.00 0.48 C ATOM 169 O VAL A 12 11.784 7.447 -4.139 1.00 0.57 O ATOM 170 CB VAL A 12 9.221 9.042 -3.061 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.167 7.616 -2.530 1.00 1.45 C ATOM 172 CG2 VAL A 12 9.712 10.002 -1.987 1.00 1.45 C ATOM 0 H VAL A 12 9.471 7.370 -5.253 1.00 0.52 H new ATOM 0 HA VAL A 12 10.140 10.188 -4.634 1.00 0.63 H new ATOM 0 HB VAL A 12 8.207 9.330 -3.337 1.00 0.82 H new ATOM 0 HG11 VAL A 12 8.544 7.584 -1.636 1.00 1.45 H new ATOM 0 HG12 VAL A 12 8.744 6.960 -3.291 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.174 7.282 -2.282 1.00 1.45 H new ATOM 0 HG21 VAL A 12 9.080 9.914 -1.104 1.00 1.45 H new ATOM 0 HG22 VAL A 12 10.741 9.757 -1.723 1.00 1.45 H new ATOM 0 HG23 VAL A 12 9.668 11.024 -2.364 1.00 1.45 H new ATOM 182 N ALA A 13 12.417 9.561 -3.737 1.00 0.44 N ATOM 183 CA ALA A 13 13.789 9.192 -3.431 1.00 0.43 C ATOM 184 C ALA A 13 14.085 9.376 -1.949 1.00 0.45 C ATOM 185 O ALA A 13 14.329 10.494 -1.491 1.00 0.57 O ATOM 186 CB ALA A 13 14.764 9.994 -4.278 1.00 0.59 C ATOM 0 H ALA A 13 12.226 10.562 -3.691 1.00 0.44 H new ATOM 0 HA ALA A 13 13.916 8.136 -3.672 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.785 9.702 -4.033 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.575 9.799 -5.334 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.632 11.057 -4.076 1.00 0.59 H new ATOM 192 N LYS A 14 14.044 8.279 -1.199 1.00 0.43 N ATOM 193 CA LYS A 14 14.306 8.320 0.239 1.00 0.50 C ATOM 194 C LYS A 14 15.079 7.085 0.677 1.00 0.41 C ATOM 195 O LYS A 14 15.286 6.151 -0.099 1.00 0.41 O ATOM 196 CB LYS A 14 13.007 8.384 1.058 1.00 0.67 C ATOM 197 CG LYS A 14 12.095 9.554 0.726 1.00 1.47 C ATOM 198 CD LYS A 14 12.710 10.886 1.122 1.00 2.23 C ATOM 199 CE LYS A 14 11.733 12.027 0.904 1.00 2.52 C ATOM 200 NZ LYS A 14 12.318 13.340 1.276 1.00 3.42 N ATOM 0 H LYS A 14 13.832 7.350 -1.562 1.00 0.43 H new ATOM 0 HA LYS A 14 14.890 9.222 0.423 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.454 7.457 0.906 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.264 8.432 2.116 1.00 0.67 H new ATOM 0 HG2 LYS A 14 11.883 9.556 -0.343 1.00 1.47 H new ATOM 0 HG3 LYS A 14 11.142 9.428 1.240 1.00 1.47 H new ATOM 0 HD2 LYS A 14 13.009 10.855 2.170 1.00 2.23 H new ATOM 0 HD3 LYS A 14 13.614 11.061 0.538 1.00 2.23 H new ATOM 0 HE2 LYS A 14 11.429 12.049 -0.143 1.00 2.52 H new ATOM 0 HE3 LYS A 14 10.833 11.851 1.493 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 11.618 14.091 1.112 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 12.585 13.329 2.281 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 13.162 13.521 0.696 1.00 3.42 H new ATOM 214 N THR A 15 15.492 7.097 1.929 1.00 0.46 N ATOM 215 CA THR A 15 16.097 5.942 2.559 1.00 0.44 C ATOM 216 C THR A 15 15.091 5.285 3.494 1.00 0.44 C ATOM 217 O THR A 15 14.182 5.944 3.992 1.00 0.50 O ATOM 218 CB THR A 15 17.354 6.348 3.344 1.00 0.49 C ATOM 219 OG1 THR A 15 17.174 7.662 3.896 1.00 0.63 O ATOM 220 CG2 THR A 15 18.583 6.323 2.449 1.00 0.52 C ATOM 0 H THR A 15 15.417 7.911 2.539 1.00 0.46 H new ATOM 0 HA THR A 15 16.390 5.234 1.784 1.00 0.44 H new ATOM 0 HB THR A 15 17.507 5.632 4.152 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.976 7.919 4.398 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.460 6.614 3.027 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.726 5.317 2.055 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.445 7.020 1.623 1.00 0.52 H new ATOM 228 N ARG A 16 15.249 3.993 3.735 1.00 0.40 N ATOM 229 CA ARG A 16 14.291 3.260 4.554 1.00 0.43 C ATOM 230 C ARG A 16 14.651 3.370 6.032 1.00 0.46 C ATOM 231 O ARG A 16 13.953 2.843 6.897 1.00 0.55 O ATOM 232 CB ARG A 16 14.213 1.789 4.125 1.00 0.50 C ATOM 233 CG ARG A 16 13.906 1.607 2.643 1.00 0.57 C ATOM 234 CD ARG A 16 15.184 1.451 1.831 1.00 0.68 C ATOM 235 NE ARG A 16 15.466 0.052 1.536 1.00 1.22 N ATOM 236 CZ ARG A 16 16.452 -0.645 2.102 1.00 2.43 C ATOM 237 NH1 ARG A 16 17.266 -0.062 2.966 1.00 3.01 N ATOM 238 NH2 ARG A 16 16.647 -1.915 1.785 1.00 3.14 N ATOM 0 H ARG A 16 16.024 3.433 3.380 1.00 0.40 H new ATOM 0 HA ARG A 16 13.308 3.708 4.405 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.160 1.300 4.355 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.444 1.287 4.712 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.275 0.729 2.505 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.342 2.465 2.278 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.094 2.009 0.899 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.020 1.883 2.381 1.00 0.68 H new ATOM 0 HE ARG A 16 14.873 -0.423 0.855 1.00 1.22 H new ATOM 0 HH11 ARG A 16 17.140 0.923 3.201 1.00 3.01 H new ATOM 0 HH12 ARG A 16 18.019 -0.597 3.398 1.00 3.01 H new ATOM 0 HH21 ARG A 16 16.040 -2.369 1.102 1.00 3.14 H new ATOM 0 HH22 ARG A 16 17.404 -2.440 2.223 1.00 3.14 H new ATOM 252 N GLY A 17 15.749 4.061 6.312 1.00 0.47 N ATOM 253 CA GLY A 17 16.169 4.272 7.682 1.00 0.58 C ATOM 254 C GLY A 17 15.500 5.479 8.305 1.00 0.61 C ATOM 255 O GLY A 17 15.307 5.531 9.519 1.00 0.75 O ATOM 0 H GLY A 17 16.358 4.481 5.610 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.937 3.385 8.272 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.251 4.402 7.713 1.00 0.58 H new ATOM 259 N GLN A 18 15.117 6.441 7.470 1.00 0.58 N ATOM 260 CA GLN A 18 14.482 7.663 7.956 1.00 0.70 C ATOM 261 C GLN A 18 13.005 7.423 8.251 1.00 0.64 C ATOM 262 O GLN A 18 12.302 8.313 8.726 1.00 0.72 O ATOM 263 CB GLN A 18 14.638 8.802 6.944 1.00 0.86 C ATOM 264 CG GLN A 18 13.918 8.566 5.628 1.00 1.02 C ATOM 265 CD GLN A 18 13.979 9.769 4.711 1.00 1.49 C ATOM 266 OE1 GLN A 18 13.088 10.618 4.715 1.00 2.00 O ATOM 267 NE2 GLN A 18 15.048 9.865 3.934 1.00 2.17 N ATOM 0 H GLN A 18 15.234 6.399 6.458 1.00 0.58 H new ATOM 0 HA GLN A 18 14.981 7.952 8.881 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.264 9.724 7.390 1.00 0.86 H new ATOM 0 HB3 GLN A 18 15.699 8.953 6.743 1.00 0.86 H new ATOM 0 HG2 GLN A 18 14.360 7.706 5.124 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.876 8.317 5.827 1.00 1.02 H new ATOM 0 HE21 GLN A 18 15.765 9.140 3.960 1.00 2.17 H new ATOM 0 HE22 GLN A 18 15.154 10.664 3.309 1.00 2.17 H new ATOM 276 N LEU A 19 12.553 6.202 7.984 1.00 0.60 N ATOM 277 CA LEU A 19 11.153 5.848 8.159 1.00 0.62 C ATOM 278 C LEU A 19 10.815 5.644 9.629 1.00 0.78 C ATOM 279 O LEU A 19 9.675 5.838 10.035 1.00 1.61 O ATOM 280 CB LEU A 19 10.815 4.594 7.352 1.00 0.62 C ATOM 281 CG LEU A 19 11.092 4.702 5.849 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.650 3.440 5.125 1.00 0.92 C ATOM 283 CD2 LEU A 19 10.396 5.921 5.273 1.00 0.89 C ATOM 0 H LEU A 19 13.140 5.440 7.645 1.00 0.60 H new ATOM 0 HA LEU A 19 10.548 6.676 7.789 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.386 3.756 7.753 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.760 4.359 7.497 1.00 0.62 H new ATOM 0 HG LEU A 19 12.167 4.814 5.704 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.857 3.540 4.060 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.195 2.583 5.521 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.581 3.290 5.275 1.00 0.92 H new ATOM 0 HD21 LEU A 19 10.601 5.986 4.204 1.00 0.89 H new ATOM 0 HD22 LEU A 19 9.321 5.835 5.432 1.00 0.89 H new ATOM 0 HD23 LEU A 19 10.765 6.819 5.769 1.00 0.89 H new ATOM 295 N THR A 20 11.832 5.263 10.403 1.00 0.68 N ATOM 296 CA THR A 20 11.728 5.057 11.859 1.00 0.69 C ATOM 297 C THR A 20 10.346 4.540 12.304 1.00 0.66 C ATOM 298 O THR A 20 9.662 5.170 13.113 1.00 0.73 O ATOM 299 CB THR A 20 12.115 6.345 12.646 1.00 0.80 C ATOM 300 OG1 THR A 20 11.980 6.125 14.056 1.00 1.51 O ATOM 301 CG2 THR A 20 11.274 7.552 12.237 1.00 1.65 C ATOM 0 H THR A 20 12.767 5.085 10.037 1.00 0.68 H new ATOM 0 HA THR A 20 12.446 4.273 12.100 1.00 0.69 H new ATOM 0 HB THR A 20 13.154 6.565 12.401 1.00 0.80 H new ATOM 0 HG1 THR A 20 11.045 5.922 14.267 1.00 1.51 H new ATOM 0 HG21 THR A 20 11.583 8.423 12.814 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.416 7.751 11.175 1.00 1.65 H new ATOM 0 HG23 THR A 20 10.221 7.344 12.429 1.00 1.65 H new ATOM 309 N ASP A 21 9.944 3.395 11.737 1.00 0.61 N ATOM 310 CA ASP A 21 8.683 2.717 12.082 1.00 0.61 C ATOM 311 C ASP A 21 7.475 3.404 11.450 1.00 0.58 C ATOM 312 O ASP A 21 6.612 2.742 10.874 1.00 0.73 O ATOM 313 CB ASP A 21 8.472 2.604 13.599 1.00 0.69 C ATOM 314 CG ASP A 21 9.406 1.614 14.265 1.00 1.18 C ATOM 315 OD1 ASP A 21 9.660 0.543 13.684 1.00 1.38 O ATOM 316 OD2 ASP A 21 9.867 1.890 15.392 1.00 1.83 O ATOM 0 H ASP A 21 10.486 2.909 11.022 1.00 0.61 H new ATOM 0 HA ASP A 21 8.770 1.710 11.673 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.612 3.586 14.052 1.00 0.69 H new ATOM 0 HB3 ASP A 21 7.441 2.307 13.794 1.00 0.69 H new ATOM 321 N ALA A 22 7.407 4.723 11.554 1.00 0.65 N ATOM 322 CA ALA A 22 6.272 5.460 11.022 1.00 0.68 C ATOM 323 C ALA A 22 6.675 6.829 10.478 1.00 0.62 C ATOM 324 O ALA A 22 6.672 7.827 11.202 1.00 0.72 O ATOM 325 CB ALA A 22 5.193 5.603 12.084 1.00 0.82 C ATOM 0 H ALA A 22 8.120 5.301 11.999 1.00 0.65 H new ATOM 0 HA ALA A 22 5.875 4.887 10.184 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.349 6.157 11.673 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.860 4.614 12.399 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.596 6.141 12.942 1.00 0.82 H new ATOM 331 N ALA A 23 7.045 6.863 9.204 1.00 0.59 N ATOM 332 CA ALA A 23 7.283 8.121 8.512 1.00 0.59 C ATOM 333 C ALA A 23 6.733 8.061 7.091 1.00 0.64 C ATOM 334 O ALA A 23 7.268 7.357 6.234 1.00 0.79 O ATOM 335 CB ALA A 23 8.763 8.469 8.495 1.00 0.71 C ATOM 0 H ALA A 23 7.187 6.032 8.629 1.00 0.59 H new ATOM 0 HA ALA A 23 6.760 8.907 9.057 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.909 9.414 7.971 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.127 8.562 9.518 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.316 7.681 7.983 1.00 0.71 H new ATOM 341 N PRO A 24 5.632 8.779 6.838 1.00 0.62 N ATOM 342 CA PRO A 24 5.004 8.843 5.519 1.00 0.72 C ATOM 343 C PRO A 24 5.878 9.567 4.502 1.00 0.78 C ATOM 344 O PRO A 24 5.943 10.798 4.476 1.00 1.12 O ATOM 345 CB PRO A 24 3.711 9.625 5.769 1.00 0.79 C ATOM 346 CG PRO A 24 3.980 10.416 7.002 1.00 0.75 C ATOM 347 CD PRO A 24 4.901 9.572 7.836 1.00 0.63 C ATOM 0 HA PRO A 24 4.837 7.851 5.100 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.472 10.274 4.927 1.00 0.79 H new ATOM 0 HB3 PRO A 24 2.863 8.954 5.906 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.440 11.374 6.760 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.056 10.632 7.537 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.575 10.184 8.435 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.348 8.937 8.528 1.00 0.63 H new ATOM 355 N ILE A 25 6.571 8.795 3.684 1.00 0.58 N ATOM 356 CA ILE A 25 7.448 9.363 2.671 1.00 0.64 C ATOM 357 C ILE A 25 6.805 9.347 1.293 1.00 0.59 C ATOM 358 O ILE A 25 7.167 10.137 0.425 1.00 0.95 O ATOM 359 CB ILE A 25 8.806 8.639 2.617 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.621 7.119 2.589 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.674 9.058 3.796 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.411 6.537 1.207 1.00 2.58 C ATOM 0 H ILE A 25 6.545 7.775 3.700 1.00 0.58 H new ATOM 0 HA ILE A 25 7.619 10.399 2.963 1.00 0.64 H new ATOM 0 HB ILE A 25 9.310 8.927 1.695 1.00 0.92 H new ATOM 0 HG12 ILE A 25 9.497 6.651 3.037 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.766 6.858 3.213 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.631 8.539 3.746 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.843 10.134 3.759 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.170 8.801 4.728 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.289 5.456 1.282 1.00 2.58 H new ATOM 0 HD12 ILE A 25 7.517 6.973 0.761 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.275 6.762 0.582 1.00 2.58 H new ATOM 374 N GLY A 26 5.846 8.455 1.097 1.00 0.62 N ATOM 375 CA GLY A 26 5.147 8.406 -0.172 1.00 0.74 C ATOM 376 C GLY A 26 3.633 8.433 -0.029 1.00 0.56 C ATOM 377 O GLY A 26 2.958 7.568 -0.574 1.00 0.65 O ATOM 0 H GLY A 26 5.540 7.769 1.787 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.462 9.251 -0.785 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.438 7.500 -0.704 1.00 0.74 H new ATOM 381 N PRO A 27 3.063 9.396 0.731 1.00 0.48 N ATOM 382 CA PRO A 27 1.609 9.586 0.806 1.00 0.44 C ATOM 383 C PRO A 27 0.967 9.752 -0.574 1.00 0.48 C ATOM 384 O PRO A 27 1.161 10.763 -1.254 1.00 0.61 O ATOM 385 CB PRO A 27 1.442 10.867 1.641 1.00 0.51 C ATOM 386 CG PRO A 27 2.800 11.483 1.699 1.00 0.66 C ATOM 387 CD PRO A 27 3.767 10.342 1.605 1.00 0.67 C ATOM 0 HA PRO A 27 1.115 8.719 1.244 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.723 11.545 1.181 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.071 10.639 2.640 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.945 12.188 0.880 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.939 12.038 2.627 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.721 10.653 1.180 1.00 0.67 H new ATOM 0 HD3 PRO A 27 3.980 9.909 2.583 1.00 0.67 H new ATOM 395 N VAL A 28 0.214 8.742 -0.976 1.00 0.45 N ATOM 396 CA VAL A 28 -0.452 8.727 -2.265 1.00 0.54 C ATOM 397 C VAL A 28 -1.861 9.298 -2.146 1.00 0.57 C ATOM 398 O VAL A 28 -2.567 9.019 -1.173 1.00 0.58 O ATOM 399 CB VAL A 28 -0.536 7.286 -2.816 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.227 7.255 -4.163 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.847 6.660 -2.916 1.00 1.07 C ATOM 0 H VAL A 28 0.048 7.907 -0.415 1.00 0.45 H new ATOM 0 HA VAL A 28 0.131 9.342 -2.950 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.130 6.700 -2.115 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.271 6.228 -4.526 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.239 7.648 -4.062 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.669 7.866 -4.872 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.760 5.646 -3.306 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.468 7.255 -3.586 1.00 1.07 H new ATOM 0 HG23 VAL A 28 1.305 6.630 -1.927 1.00 1.07 H new ATOM 411 N THR A 29 -2.255 10.106 -3.122 1.00 0.61 N ATOM 412 CA THR A 29 -3.602 10.649 -3.172 1.00 0.67 C ATOM 413 C THR A 29 -4.586 9.611 -3.699 1.00 0.65 C ATOM 414 O THR A 29 -4.702 9.404 -4.910 1.00 0.75 O ATOM 415 CB THR A 29 -3.660 11.906 -4.060 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.850 11.715 -5.231 1.00 1.64 O ATOM 417 CG2 THR A 29 -3.190 13.132 -3.296 1.00 1.37 C ATOM 0 H THR A 29 -1.655 10.400 -3.893 1.00 0.61 H new ATOM 0 HA THR A 29 -3.881 10.922 -2.154 1.00 0.67 H new ATOM 0 HB THR A 29 -4.695 12.067 -4.360 1.00 0.79 H new ATOM 0 HG1 THR A 29 -3.111 10.882 -5.677 1.00 1.64 H new ATOM 0 HG21 THR A 29 -3.240 14.006 -3.945 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.830 13.287 -2.428 1.00 1.37 H new ATOM 0 HG23 THR A 29 -2.162 12.983 -2.967 1.00 1.37 H new ATOM 425 N VAL A 30 -5.275 8.948 -2.788 1.00 0.62 N ATOM 426 CA VAL A 30 -6.248 7.941 -3.164 1.00 0.61 C ATOM 427 C VAL A 30 -7.652 8.489 -3.021 1.00 0.62 C ATOM 428 O VAL A 30 -8.110 8.759 -1.918 1.00 0.87 O ATOM 429 CB VAL A 30 -6.115 6.678 -2.294 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.198 5.666 -2.633 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.736 6.065 -2.465 1.00 1.01 C ATOM 0 H VAL A 30 -5.178 9.089 -1.783 1.00 0.62 H new ATOM 0 HA VAL A 30 -6.056 7.674 -4.203 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.242 6.966 -1.250 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.081 4.783 -2.004 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.178 6.109 -2.457 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.112 5.379 -3.681 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.655 5.173 -1.844 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.585 5.795 -3.510 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.977 6.787 -2.163 1.00 1.01 H new ATOM 441 N GLN A 31 -8.327 8.626 -4.141 1.00 0.49 N ATOM 442 CA GLN A 31 -9.700 9.080 -4.164 1.00 0.52 C ATOM 443 C GLN A 31 -10.597 7.908 -4.541 1.00 0.49 C ATOM 444 O GLN A 31 -10.577 7.442 -5.681 1.00 0.54 O ATOM 445 CB GLN A 31 -9.852 10.229 -5.171 1.00 0.62 C ATOM 446 CG GLN A 31 -10.981 11.205 -4.860 1.00 1.15 C ATOM 447 CD GLN A 31 -12.360 10.587 -4.955 1.00 1.59 C ATOM 448 OE1 GLN A 31 -12.894 10.074 -3.972 1.00 2.48 O ATOM 449 NE2 GLN A 31 -12.951 10.640 -6.139 1.00 1.86 N ATOM 0 H GLN A 31 -7.939 8.425 -5.063 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.990 9.451 -3.181 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.914 10.782 -5.214 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -10.019 9.806 -6.162 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -10.839 11.604 -3.855 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.921 12.048 -5.549 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -12.473 11.074 -6.929 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -13.884 10.246 -6.261 1.00 1.86 H new ATOM 458 N ALA A 32 -11.348 7.411 -3.570 1.00 0.53 N ATOM 459 CA ALA A 32 -12.237 6.287 -3.805 1.00 0.54 C ATOM 460 C ALA A 32 -13.508 6.751 -4.501 1.00 0.56 C ATOM 461 O ALA A 32 -14.481 7.144 -3.854 1.00 0.70 O ATOM 462 CB ALA A 32 -12.562 5.582 -2.498 1.00 0.61 C ATOM 0 H ALA A 32 -11.359 7.768 -2.615 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.731 5.575 -4.458 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.229 4.743 -2.694 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.641 5.216 -2.044 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -13.049 6.282 -1.818 1.00 0.61 H new ATOM 468 N LEU A 33 -13.483 6.718 -5.822 1.00 0.54 N ATOM 469 CA LEU A 33 -14.585 7.220 -6.620 1.00 0.64 C ATOM 470 C LEU A 33 -15.633 6.131 -6.809 1.00 0.75 C ATOM 471 O LEU A 33 -15.384 5.123 -7.466 1.00 0.84 O ATOM 472 CB LEU A 33 -14.056 7.729 -7.972 1.00 0.74 C ATOM 473 CG LEU A 33 -15.035 8.560 -8.812 1.00 1.28 C ATOM 474 CD1 LEU A 33 -14.273 9.408 -9.818 1.00 1.90 C ATOM 475 CD2 LEU A 33 -16.026 7.667 -9.541 1.00 1.94 C ATOM 0 H LEU A 33 -12.705 6.346 -6.367 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.060 8.054 -6.103 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.166 8.331 -7.787 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -13.742 6.869 -8.563 1.00 0.74 H new ATOM 0 HG LEU A 33 -15.590 9.210 -8.136 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -14.978 9.993 -10.408 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -13.597 10.080 -9.289 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -13.697 8.760 -10.478 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.707 8.283 -10.128 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -15.487 6.990 -10.203 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -16.596 7.087 -8.815 1.00 1.94 H new ATOM 487 N GLY A 34 -16.800 6.333 -6.219 1.00 0.85 N ATOM 488 CA GLY A 34 -17.868 5.368 -6.354 1.00 1.06 C ATOM 489 C GLY A 34 -18.228 4.710 -5.043 1.00 0.98 C ATOM 490 O GLY A 34 -19.297 4.113 -4.913 1.00 1.81 O ATOM 0 H GLY A 34 -17.026 7.148 -5.649 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -18.750 5.863 -6.762 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -17.572 4.602 -7.071 1.00 1.06 H new ATOM 494 N CYS A 35 -17.331 4.802 -4.075 1.00 0.96 N ATOM 495 CA CYS A 35 -17.601 4.279 -2.747 1.00 0.86 C ATOM 496 C CYS A 35 -18.581 5.181 -2.006 1.00 0.96 C ATOM 497 O CYS A 35 -18.223 6.273 -1.561 1.00 1.88 O ATOM 498 CB CYS A 35 -16.306 4.135 -1.941 1.00 0.84 C ATOM 499 SG CYS A 35 -15.488 2.511 -2.103 1.00 1.18 S ATOM 0 H CYS A 35 -16.413 5.233 -4.184 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.048 3.291 -2.860 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -15.609 4.911 -2.256 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.527 4.313 -0.888 1.00 0.84 H new ATOM 504 N ASN A 36 -19.822 4.730 -1.902 1.00 0.79 N ATOM 505 CA ASN A 36 -20.841 5.448 -1.148 1.00 0.72 C ATOM 506 C ASN A 36 -21.111 4.716 0.153 1.00 0.69 C ATOM 507 O ASN A 36 -21.276 5.327 1.208 1.00 0.80 O ATOM 508 CB ASN A 36 -22.136 5.579 -1.957 1.00 0.76 C ATOM 509 CG ASN A 36 -21.975 6.444 -3.193 1.00 1.29 C ATOM 510 OD1 ASN A 36 -22.145 7.664 -3.139 1.00 1.75 O ATOM 511 ND2 ASN A 36 -21.648 5.824 -4.317 1.00 2.14 N ATOM 0 H ASN A 36 -20.150 3.865 -2.333 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.476 6.453 -0.936 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.474 4.587 -2.256 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.914 6.003 -1.322 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -21.528 6.358 -5.178 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -21.516 4.813 -4.322 1.00 2.14 H new ATOM 518 N ALA A 37 -21.132 3.398 0.064 1.00 0.65 N ATOM 519 CA ALA A 37 -21.284 2.542 1.227 1.00 0.74 C ATOM 520 C ALA A 37 -20.432 1.296 1.046 1.00 0.70 C ATOM 521 O ALA A 37 -20.942 0.181 0.933 1.00 0.94 O ATOM 522 CB ALA A 37 -22.745 2.175 1.442 1.00 0.93 C ATOM 0 H ALA A 37 -21.044 2.891 -0.817 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.948 3.079 2.114 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.834 1.533 2.319 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.329 3.082 1.596 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -23.120 1.646 0.566 1.00 0.93 H new ATOM 528 N ARG A 38 -19.126 1.498 0.989 1.00 0.59 N ATOM 529 CA ARG A 38 -18.204 0.416 0.694 1.00 0.61 C ATOM 530 C ARG A 38 -16.885 0.612 1.436 1.00 0.50 C ATOM 531 O ARG A 38 -16.481 1.743 1.717 1.00 0.50 O ATOM 532 CB ARG A 38 -17.963 0.361 -0.818 1.00 0.71 C ATOM 533 CG ARG A 38 -17.152 -0.838 -1.294 1.00 0.98 C ATOM 534 CD ARG A 38 -17.606 -2.141 -0.645 1.00 2.02 C ATOM 535 NE ARG A 38 -19.037 -2.402 -0.803 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.592 -3.594 -0.587 1.00 3.70 C ATOM 537 NH1 ARG A 38 -18.829 -4.633 -0.264 1.00 4.05 N ATOM 538 NH2 ARG A 38 -20.906 -3.746 -0.692 1.00 4.64 N ATOM 0 H ARG A 38 -18.681 2.403 1.143 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.639 -0.526 1.028 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.928 0.353 -1.325 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.450 1.273 -1.123 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -17.239 -0.925 -2.377 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.098 -0.672 -1.071 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -17.044 -2.969 -1.077 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.365 -2.112 0.418 1.00 2.02 H new ATOM 0 HE ARG A 38 -19.640 -1.632 -1.093 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -17.819 -4.518 -0.181 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -19.253 -5.546 -0.099 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -21.493 -2.949 -0.939 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -21.329 -4.659 -0.526 1.00 4.64 H new ATOM 552 N GLN A 39 -16.236 -0.497 1.768 1.00 0.48 N ATOM 553 CA GLN A 39 -14.932 -0.473 2.408 1.00 0.42 C ATOM 554 C GLN A 39 -13.842 -0.350 1.348 1.00 0.42 C ATOM 555 O GLN A 39 -13.800 -1.134 0.396 1.00 0.62 O ATOM 556 CB GLN A 39 -14.735 -1.750 3.229 1.00 0.47 C ATOM 557 CG GLN A 39 -15.900 -2.046 4.161 1.00 0.64 C ATOM 558 CD GLN A 39 -15.751 -3.364 4.897 1.00 0.87 C ATOM 559 OE1 GLN A 39 -15.203 -3.419 5.996 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.254 -4.436 4.302 1.00 1.40 N ATOM 0 H GLN A 39 -16.600 -1.435 1.601 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.871 0.386 3.076 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.596 -2.593 2.552 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.821 -1.660 3.817 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.991 -1.239 4.888 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.825 -2.061 3.584 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -16.702 -4.350 3.389 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -16.194 -5.347 4.757 1.00 1.40 H new ATOM 569 N VAL A 40 -12.984 0.647 1.501 1.00 0.36 N ATOM 570 CA VAL A 40 -11.903 0.888 0.550 1.00 0.38 C ATOM 571 C VAL A 40 -10.647 0.164 1.003 1.00 0.35 C ATOM 572 O VAL A 40 -10.199 0.363 2.127 1.00 0.41 O ATOM 573 CB VAL A 40 -11.592 2.393 0.420 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.597 2.643 -0.703 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.866 3.188 0.200 1.00 0.54 C ATOM 0 H VAL A 40 -13.014 1.307 2.278 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.226 0.513 -0.421 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.140 2.729 1.353 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.392 3.711 -0.777 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.670 2.109 -0.493 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -11.015 2.288 -1.645 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.623 4.247 0.111 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.353 2.849 -0.714 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.538 3.040 1.045 1.00 0.54 H new ATOM 585 N ALA A 41 -10.083 -0.664 0.132 1.00 0.29 N ATOM 586 CA ALA A 41 -8.942 -1.478 0.485 1.00 0.28 C ATOM 587 C ALA A 41 -7.760 -1.184 -0.423 1.00 0.26 C ATOM 588 O ALA A 41 -7.921 -0.961 -1.621 1.00 0.35 O ATOM 589 CB ALA A 41 -9.311 -2.949 0.401 1.00 0.36 C ATOM 0 H ALA A 41 -10.405 -0.785 -0.828 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.652 -1.237 1.508 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.447 -3.557 0.668 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.129 -3.159 1.090 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.623 -3.188 -0.616 1.00 0.36 H new ATOM 595 N LEU A 42 -6.576 -1.195 0.149 1.00 0.27 N ATOM 596 CA LEU A 42 -5.360 -1.013 -0.618 1.00 0.31 C ATOM 597 C LEU A 42 -4.684 -2.362 -0.809 1.00 0.31 C ATOM 598 O LEU A 42 -4.234 -2.980 0.153 1.00 0.48 O ATOM 599 CB LEU A 42 -4.419 -0.051 0.109 1.00 0.39 C ATOM 600 CG LEU A 42 -5.090 1.201 0.676 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.144 1.934 1.609 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.552 2.119 -0.447 1.00 0.84 C ATOM 0 H LEU A 42 -6.428 -1.329 1.149 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.604 -0.588 -1.592 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.935 -0.587 0.925 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.633 0.257 -0.581 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.966 0.892 1.246 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.638 2.822 2.003 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.865 1.278 2.433 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.249 2.229 1.061 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.027 3.003 -0.022 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.693 2.421 -1.047 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.267 1.591 -1.077 1.00 0.84 H new ATOM 614 N LYS A 43 -4.656 -2.831 -2.046 1.00 0.34 N ATOM 615 CA LYS A 43 -4.067 -4.124 -2.359 1.00 0.37 C ATOM 616 C LYS A 43 -2.772 -3.939 -3.122 1.00 0.38 C ATOM 617 O LYS A 43 -2.597 -2.951 -3.835 1.00 0.53 O ATOM 618 CB LYS A 43 -5.018 -4.987 -3.195 1.00 0.42 C ATOM 619 CG LYS A 43 -6.045 -5.777 -2.392 1.00 0.49 C ATOM 620 CD LYS A 43 -7.049 -4.886 -1.675 1.00 1.00 C ATOM 621 CE LYS A 43 -7.799 -3.970 -2.630 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.465 -4.707 -3.739 1.00 1.93 N ATOM 0 H LYS A 43 -5.035 -2.334 -2.852 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.874 -4.631 -1.414 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.546 -4.343 -3.898 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.426 -5.686 -3.786 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.579 -6.453 -3.060 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.528 -6.396 -1.659 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -7.764 -5.509 -1.137 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.529 -4.283 -0.931 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.549 -3.408 -2.073 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -7.103 -3.244 -3.050 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.799 -4.030 -4.454 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.788 -5.365 -4.175 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -9.274 -5.241 -3.364 1.00 1.93 H new ATOM 636 N ALA A 44 -1.873 -4.885 -2.968 1.00 0.36 N ATOM 637 CA ALA A 44 -0.631 -4.873 -3.709 1.00 0.37 C ATOM 638 C ALA A 44 -0.708 -5.832 -4.886 1.00 0.34 C ATOM 639 O ALA A 44 -1.636 -6.636 -4.985 1.00 0.36 O ATOM 640 CB ALA A 44 0.525 -5.244 -2.802 1.00 0.41 C ATOM 0 H ALA A 44 -1.979 -5.676 -2.333 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.464 -3.866 -4.092 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.454 -5.231 -3.372 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.591 -4.526 -1.985 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.363 -6.242 -2.396 1.00 0.41 H new ATOM 646 N ASP A 45 0.252 -5.729 -5.785 1.00 0.36 N ATOM 647 CA ASP A 45 0.350 -6.654 -6.899 1.00 0.39 C ATOM 648 C ASP A 45 1.307 -7.775 -6.533 1.00 0.37 C ATOM 649 O ASP A 45 2.155 -7.591 -5.664 1.00 0.35 O ATOM 650 CB ASP A 45 0.833 -5.935 -8.161 1.00 0.45 C ATOM 651 CG ASP A 45 0.934 -6.866 -9.350 1.00 0.57 C ATOM 652 OD1 ASP A 45 -0.095 -7.095 -10.016 1.00 0.71 O ATOM 653 OD2 ASP A 45 2.051 -7.352 -9.631 1.00 0.64 O ATOM 0 H ASP A 45 0.977 -5.012 -5.766 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.637 -7.069 -7.106 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.148 -5.121 -8.397 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.808 -5.486 -7.970 1.00 0.45 H new ATOM 658 N THR A 46 1.182 -8.919 -7.205 1.00 0.47 N ATOM 659 CA THR A 46 2.006 -10.099 -6.923 1.00 0.55 C ATOM 660 C THR A 46 3.507 -9.769 -6.953 1.00 0.47 C ATOM 661 O THR A 46 4.328 -10.502 -6.398 1.00 0.56 O ATOM 662 CB THR A 46 1.695 -11.233 -7.926 1.00 0.76 C ATOM 663 OG1 THR A 46 2.429 -12.416 -7.598 1.00 1.40 O ATOM 664 CG2 THR A 46 2.026 -10.811 -9.350 1.00 0.99 C ATOM 0 H THR A 46 0.509 -9.056 -7.959 1.00 0.47 H new ATOM 0 HA THR A 46 1.756 -10.433 -5.916 1.00 0.55 H new ATOM 0 HB THR A 46 0.628 -11.444 -7.860 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.217 -13.122 -8.244 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.797 -11.628 -10.034 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.433 -9.937 -9.618 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.086 -10.565 -9.420 1.00 0.99 H new ATOM 672 N ASP A 47 3.838 -8.648 -7.582 1.00 0.42 N ATOM 673 CA ASP A 47 5.199 -8.124 -7.611 1.00 0.50 C ATOM 674 C ASP A 47 5.762 -7.930 -6.197 1.00 0.43 C ATOM 675 O ASP A 47 6.935 -8.210 -5.949 1.00 0.47 O ATOM 676 CB ASP A 47 5.185 -6.803 -8.391 1.00 0.66 C ATOM 677 CG ASP A 47 6.208 -5.790 -7.927 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.410 -5.964 -8.233 1.00 1.72 O ATOM 679 OD2 ASP A 47 5.793 -4.787 -7.300 1.00 2.22 O ATOM 0 H ASP A 47 3.166 -8.073 -8.090 1.00 0.42 H new ATOM 0 HA ASP A 47 5.855 -8.841 -8.105 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.357 -7.017 -9.446 1.00 0.66 H new ATOM 0 HB3 ASP A 47 4.192 -6.360 -8.313 1.00 0.66 H new ATOM 684 N ASN A 48 4.915 -7.500 -5.270 1.00 0.38 N ATOM 685 CA ASN A 48 5.334 -7.276 -3.886 1.00 0.39 C ATOM 686 C ASN A 48 4.306 -7.847 -2.913 1.00 0.37 C ATOM 687 O ASN A 48 4.311 -7.524 -1.728 1.00 0.42 O ATOM 688 CB ASN A 48 5.536 -5.779 -3.618 1.00 0.50 C ATOM 689 CG ASN A 48 4.284 -4.967 -3.869 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.507 -4.705 -2.958 1.00 1.35 O ATOM 691 ND2 ASN A 48 4.080 -4.570 -5.112 1.00 1.19 N ATOM 0 H ASN A 48 3.931 -7.298 -5.449 1.00 0.38 H new ATOM 0 HA ASN A 48 6.283 -7.790 -3.733 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.854 -5.639 -2.585 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.340 -5.406 -4.253 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.250 -4.024 -5.343 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.752 -4.810 -5.841 1.00 1.19 H new ATOM 698 N PHE A 49 3.446 -8.715 -3.426 1.00 0.35 N ATOM 699 CA PHE A 49 2.370 -9.314 -2.641 1.00 0.36 C ATOM 700 C PHE A 49 2.553 -10.824 -2.603 1.00 0.38 C ATOM 701 O PHE A 49 2.273 -11.514 -3.584 1.00 0.39 O ATOM 702 CB PHE A 49 1.027 -8.948 -3.286 1.00 0.38 C ATOM 703 CG PHE A 49 -0.220 -9.310 -2.525 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.710 -8.483 -1.528 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.940 -10.447 -2.859 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.889 -8.784 -0.879 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.116 -10.759 -2.203 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.593 -9.923 -1.214 1.00 0.46 C ATOM 0 H PHE A 49 3.472 -9.025 -4.397 1.00 0.35 H new ATOM 0 HA PHE A 49 2.390 -8.937 -1.618 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.017 -7.872 -3.459 1.00 0.38 H new ATOM 0 HB3 PHE A 49 0.979 -9.429 -4.263 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.163 -7.593 -1.256 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.577 -11.097 -3.642 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -2.262 -8.127 -0.107 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.660 -11.655 -2.464 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.515 -10.159 -0.703 1.00 0.46 H new ATOM 718 N GLU A 50 3.054 -11.332 -1.487 1.00 0.44 N ATOM 719 CA GLU A 50 3.277 -12.760 -1.344 1.00 0.52 C ATOM 720 C GLU A 50 2.170 -13.390 -0.503 1.00 0.52 C ATOM 721 O GLU A 50 2.157 -13.261 0.723 1.00 0.54 O ATOM 722 CB GLU A 50 4.661 -13.043 -0.736 1.00 0.65 C ATOM 723 CG GLU A 50 4.888 -12.430 0.640 1.00 1.22 C ATOM 724 CD GLU A 50 6.201 -12.860 1.263 1.00 1.82 C ATOM 725 OE1 GLU A 50 6.436 -14.085 1.377 1.00 2.15 O ATOM 726 OE2 GLU A 50 7.004 -11.982 1.645 1.00 2.41 O ATOM 0 H GLU A 50 3.313 -10.778 -0.671 1.00 0.44 H new ATOM 0 HA GLU A 50 3.252 -13.212 -2.336 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.798 -14.122 -0.665 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.426 -12.668 -1.417 1.00 0.65 H new ATOM 0 HG2 GLU A 50 4.869 -11.343 0.557 1.00 1.22 H new ATOM 0 HG3 GLU A 50 4.068 -12.714 1.299 1.00 1.22 H new ATOM 733 N GLN A 51 1.214 -14.024 -1.188 1.00 0.63 N ATOM 734 CA GLN A 51 0.080 -14.702 -0.549 1.00 0.76 C ATOM 735 C GLN A 51 -0.906 -13.695 0.045 1.00 0.72 C ATOM 736 O GLN A 51 -2.100 -13.730 -0.248 1.00 1.07 O ATOM 737 CB GLN A 51 0.568 -15.672 0.533 1.00 0.87 C ATOM 738 CG GLN A 51 -0.550 -16.435 1.220 1.00 1.71 C ATOM 739 CD GLN A 51 -0.039 -17.381 2.287 1.00 2.56 C ATOM 740 OE1 GLN A 51 0.243 -18.550 2.018 1.00 2.92 O ATOM 741 NE2 GLN A 51 0.093 -16.878 3.503 1.00 3.43 N ATOM 0 H GLN A 51 1.204 -14.082 -2.206 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.441 -15.271 -1.318 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.259 -16.385 0.084 1.00 0.87 H new ATOM 0 HB3 GLN A 51 1.128 -15.114 1.283 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -1.245 -15.726 1.670 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -1.110 -17.001 0.475 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -0.152 -15.904 3.681 1.00 3.43 H new ATOM 0 HE22 GLN A 51 0.440 -17.464 4.262 1.00 3.43 H new ATOM 750 N GLY A 52 -0.388 -12.804 0.867 1.00 0.56 N ATOM 751 CA GLY A 52 -1.199 -11.808 1.523 1.00 0.52 C ATOM 752 C GLY A 52 -0.339 -10.881 2.346 1.00 0.48 C ATOM 753 O GLY A 52 -0.690 -10.513 3.465 1.00 0.52 O ATOM 0 H GLY A 52 0.605 -12.753 1.096 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.753 -11.235 0.779 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.935 -12.294 2.163 1.00 0.52 H new ATOM 757 N LYS A 53 0.821 -10.545 1.797 1.00 0.47 N ATOM 758 CA LYS A 53 1.753 -9.625 2.435 1.00 0.47 C ATOM 759 C LYS A 53 2.311 -8.678 1.384 1.00 0.42 C ATOM 760 O LYS A 53 2.709 -9.125 0.313 1.00 0.41 O ATOM 761 CB LYS A 53 2.924 -10.395 3.057 1.00 0.53 C ATOM 762 CG LYS A 53 2.523 -11.556 3.956 1.00 1.01 C ATOM 763 CD LYS A 53 2.138 -11.096 5.353 1.00 0.65 C ATOM 764 CE LYS A 53 3.310 -10.434 6.062 1.00 1.27 C ATOM 765 NZ LYS A 53 3.049 -10.232 7.512 1.00 2.12 N ATOM 0 H LYS A 53 1.142 -10.902 0.897 1.00 0.47 H new ATOM 0 HA LYS A 53 1.225 -9.075 3.214 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.555 -10.777 2.255 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.531 -9.699 3.636 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.684 -12.088 3.507 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.350 -12.263 4.023 1.00 1.01 H new ATOM 0 HD2 LYS A 53 1.306 -10.395 5.290 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.793 -11.949 5.937 1.00 0.65 H new ATOM 0 HE2 LYS A 53 4.202 -11.048 5.937 1.00 1.27 H new ATOM 0 HE3 LYS A 53 3.518 -9.472 5.595 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 3.874 -9.778 7.953 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 2.214 -9.624 7.633 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 2.876 -11.152 7.965 1.00 2.12 H new ATOM 779 N PHE A 54 2.345 -7.388 1.680 1.00 0.44 N ATOM 780 CA PHE A 54 2.993 -6.441 0.791 1.00 0.41 C ATOM 781 C PHE A 54 4.207 -5.808 1.459 1.00 0.39 C ATOM 782 O PHE A 54 4.274 -5.693 2.689 1.00 0.44 O ATOM 783 CB PHE A 54 2.017 -5.376 0.253 1.00 0.43 C ATOM 784 CG PHE A 54 1.062 -4.764 1.250 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.496 -4.295 2.479 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.284 -4.646 0.934 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.606 -3.728 3.374 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.177 -4.077 1.822 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.731 -3.617 3.043 1.00 0.51 C ATOM 0 H PHE A 54 1.936 -6.978 2.520 1.00 0.44 H new ATOM 0 HA PHE A 54 3.342 -7.002 -0.076 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.603 -4.573 -0.194 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.430 -5.826 -0.548 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.541 -4.373 2.742 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.639 -5.004 -0.021 1.00 0.41 H new ATOM 0 HE1 PHE A 54 0.956 -3.372 4.332 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.221 -3.993 1.560 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.425 -3.171 3.739 1.00 0.51 H new ATOM 799 N PHE A 55 5.174 -5.425 0.640 1.00 0.37 N ATOM 800 CA PHE A 55 6.448 -4.921 1.126 1.00 0.36 C ATOM 801 C PHE A 55 7.114 -4.042 0.082 1.00 0.42 C ATOM 802 O PHE A 55 6.607 -3.881 -1.028 1.00 0.55 O ATOM 803 CB PHE A 55 7.389 -6.086 1.473 1.00 0.36 C ATOM 804 CG PHE A 55 7.426 -7.169 0.433 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.198 -7.024 -0.705 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.689 -8.331 0.594 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.236 -8.016 -1.663 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.723 -9.328 -0.363 1.00 0.59 C ATOM 809 CZ PHE A 55 7.498 -9.168 -1.494 1.00 0.54 C ATOM 0 H PHE A 55 5.098 -5.455 -0.377 1.00 0.37 H new ATOM 0 HA PHE A 55 6.252 -4.330 2.021 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.397 -5.696 1.614 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.079 -6.519 2.424 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.778 -6.124 -0.845 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.081 -8.459 1.477 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.845 -7.890 -2.546 1.00 0.48 H new ATOM 0 HE2 PHE A 55 6.145 -10.230 -0.226 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.526 -9.944 -2.245 1.00 0.54 H new ATOM 819 N LEU A 56 8.253 -3.480 0.449 1.00 0.37 N ATOM 820 CA LEU A 56 9.100 -2.793 -0.506 1.00 0.44 C ATOM 821 C LEU A 56 9.906 -3.837 -1.262 1.00 0.44 C ATOM 822 O LEU A 56 10.756 -4.505 -0.675 1.00 0.53 O ATOM 823 CB LEU A 56 10.051 -1.811 0.196 1.00 0.53 C ATOM 824 CG LEU A 56 9.400 -0.852 1.192 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.464 -0.088 1.968 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.469 0.114 0.474 1.00 1.27 C ATOM 0 H LEU A 56 8.612 -3.487 1.404 1.00 0.37 H new ATOM 0 HA LEU A 56 8.476 -2.217 -1.189 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.815 -2.386 0.720 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.562 -1.222 -0.566 1.00 0.53 H new ATOM 0 HG LEU A 56 8.810 -1.437 1.898 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.983 0.590 2.673 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.093 -0.792 2.513 1.00 1.53 H new ATOM 0 HD13 LEU A 56 11.079 0.485 1.274 1.00 1.53 H new ATOM 0 HD21 LEU A 56 8.015 0.789 1.200 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.037 0.693 -0.254 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.687 -0.447 -0.038 1.00 1.27 H new ATOM 838 N ILE A 57 9.619 -4.011 -2.543 1.00 0.42 N ATOM 839 CA ILE A 57 10.340 -4.990 -3.340 1.00 0.45 C ATOM 840 C ILE A 57 11.285 -4.290 -4.311 1.00 0.46 C ATOM 841 O ILE A 57 10.897 -3.365 -5.027 1.00 0.52 O ATOM 842 CB ILE A 57 9.385 -5.934 -4.119 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.178 -7.006 -4.878 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.507 -5.150 -5.078 1.00 0.62 C ATOM 845 CD1 ILE A 57 10.988 -7.921 -3.980 1.00 0.57 C ATOM 0 H ILE A 57 8.900 -3.493 -3.048 1.00 0.42 H new ATOM 0 HA ILE A 57 10.916 -5.605 -2.648 1.00 0.45 H new ATOM 0 HB ILE A 57 8.741 -6.429 -3.392 1.00 0.53 H new ATOM 0 HG12 ILE A 57 9.485 -7.609 -5.465 1.00 0.57 H new ATOM 0 HG13 ILE A 57 10.850 -6.516 -5.583 1.00 0.57 H new ATOM 0 HG21 ILE A 57 7.848 -5.835 -5.611 1.00 0.62 H new ATOM 0 HG22 ILE A 57 7.908 -4.432 -4.518 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.134 -4.619 -5.794 1.00 0.62 H new ATOM 0 HD11 ILE A 57 11.520 -8.651 -4.590 1.00 0.57 H new ATOM 0 HD12 ILE A 57 11.706 -7.330 -3.412 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.320 -8.440 -3.292 1.00 0.57 H new ATOM 857 N SER A 58 12.539 -4.699 -4.287 1.00 0.52 N ATOM 858 CA SER A 58 13.520 -4.189 -5.219 1.00 0.62 C ATOM 859 C SER A 58 13.225 -4.733 -6.609 1.00 0.72 C ATOM 860 O SER A 58 12.643 -5.811 -6.746 1.00 0.77 O ATOM 861 CB SER A 58 14.923 -4.602 -4.770 1.00 0.78 C ATOM 862 OG SER A 58 15.920 -4.122 -5.655 1.00 1.44 O ATOM 0 H SER A 58 12.902 -5.387 -3.627 1.00 0.52 H new ATOM 0 HA SER A 58 13.470 -3.100 -5.246 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.112 -4.219 -3.767 1.00 0.78 H new ATOM 0 HB3 SER A 58 14.981 -5.689 -4.712 1.00 0.78 H new ATOM 0 HG SER A 58 16.803 -4.403 -5.336 1.00 1.44 H new ATOM 868 N ASP A 59 13.613 -3.991 -7.635 1.00 0.97 N ATOM 869 CA ASP A 59 13.433 -4.447 -9.008 1.00 1.18 C ATOM 870 C ASP A 59 14.210 -5.738 -9.242 1.00 1.20 C ATOM 871 O ASP A 59 13.770 -6.619 -9.977 1.00 1.34 O ATOM 872 CB ASP A 59 13.880 -3.370 -10.000 1.00 1.57 C ATOM 873 CG ASP A 59 13.795 -3.840 -11.438 1.00 1.80 C ATOM 874 OD1 ASP A 59 12.688 -4.234 -11.874 1.00 2.17 O ATOM 875 OD2 ASP A 59 14.826 -3.823 -12.137 1.00 2.31 O ATOM 0 H ASP A 59 14.052 -3.075 -7.546 1.00 0.97 H new ATOM 0 HA ASP A 59 12.373 -4.641 -9.169 1.00 1.18 H new ATOM 0 HB2 ASP A 59 13.260 -2.483 -9.873 1.00 1.57 H new ATOM 0 HB3 ASP A 59 14.906 -3.077 -9.776 1.00 1.57 H new ATOM 880 N ASN A 60 15.348 -5.866 -8.562 1.00 1.26 N ATOM 881 CA ASN A 60 16.180 -7.064 -8.672 1.00 1.52 C ATOM 882 C ASN A 60 15.626 -8.188 -7.799 1.00 1.40 C ATOM 883 O ASN A 60 16.188 -9.284 -7.759 1.00 1.74 O ATOM 884 CB ASN A 60 17.628 -6.758 -8.280 1.00 1.82 C ATOM 885 CG ASN A 60 18.342 -5.887 -9.298 1.00 2.52 C ATOM 886 OD1 ASN A 60 19.193 -5.071 -8.947 1.00 3.09 O ATOM 887 ND2 ASN A 60 18.010 -6.056 -10.568 1.00 3.05 N ATOM 0 H ASN A 60 15.715 -5.155 -7.929 1.00 1.26 H new ATOM 0 HA ASN A 60 16.164 -7.390 -9.712 1.00 1.52 H new ATOM 0 HB2 ASN A 60 17.640 -6.260 -7.311 1.00 1.82 H new ATOM 0 HB3 ASN A 60 18.174 -7.694 -8.164 1.00 1.82 H new ATOM 0 HD21 ASN A 60 18.465 -5.500 -11.292 1.00 3.05 H new ATOM 0 HD22 ASN A 60 17.300 -6.742 -10.822 1.00 3.05 H new ATOM 894 N ASN A 61 14.522 -7.882 -7.107 1.00 1.11 N ATOM 895 CA ASN A 61 13.778 -8.831 -6.265 1.00 1.06 C ATOM 896 C ASN A 61 14.680 -9.810 -5.510 1.00 1.11 C ATOM 897 O ASN A 61 14.600 -11.025 -5.687 1.00 1.55 O ATOM 898 CB ASN A 61 12.691 -9.574 -7.074 1.00 1.29 C ATOM 899 CG ASN A 61 13.210 -10.308 -8.302 1.00 1.85 C ATOM 900 OD1 ASN A 61 13.544 -11.491 -8.244 1.00 2.62 O ATOM 901 ND2 ASN A 61 13.262 -9.614 -9.429 1.00 2.37 N ATOM 0 H ASN A 61 14.111 -6.949 -7.116 1.00 1.11 H new ATOM 0 HA ASN A 61 13.282 -8.230 -5.503 1.00 1.06 H new ATOM 0 HB2 ASN A 61 12.196 -10.291 -6.420 1.00 1.29 H new ATOM 0 HB3 ASN A 61 11.935 -8.855 -7.389 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.587 -10.059 -10.287 1.00 2.37 H new ATOM 0 HD22 ASN A 61 12.977 -8.635 -9.439 1.00 2.37 H new ATOM 908 N ARG A 62 15.544 -9.268 -4.665 1.00 0.98 N ATOM 909 CA ARG A 62 16.378 -10.089 -3.796 1.00 1.06 C ATOM 910 C ARG A 62 16.235 -9.631 -2.351 1.00 0.90 C ATOM 911 O ARG A 62 16.667 -10.311 -1.422 1.00 1.01 O ATOM 912 CB ARG A 62 17.847 -10.021 -4.225 1.00 1.27 C ATOM 913 CG ARG A 62 18.393 -8.606 -4.351 1.00 1.79 C ATOM 914 CD ARG A 62 19.846 -8.599 -4.800 1.00 2.44 C ATOM 915 NE ARG A 62 20.002 -9.084 -6.173 1.00 3.13 N ATOM 916 CZ ARG A 62 21.175 -9.187 -6.796 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.302 -8.905 -6.155 1.00 3.55 N ATOM 918 NH2 ARG A 62 21.215 -9.590 -8.058 1.00 4.66 N ATOM 0 H ARG A 62 15.687 -8.263 -4.561 1.00 0.98 H new ATOM 0 HA ARG A 62 16.044 -11.123 -3.879 1.00 1.06 H new ATOM 0 HB2 ARG A 62 18.451 -10.569 -3.502 1.00 1.27 H new ATOM 0 HB3 ARG A 62 17.958 -10.529 -5.183 1.00 1.27 H new ATOM 0 HG2 ARG A 62 17.789 -8.046 -5.065 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.307 -8.096 -3.391 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.242 -7.586 -4.727 1.00 2.44 H new ATOM 0 HD3 ARG A 62 20.436 -9.222 -4.127 1.00 2.44 H new ATOM 0 HE ARG A 62 19.162 -9.359 -6.683 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.273 -8.607 -5.180 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.197 -8.986 -6.637 1.00 3.55 H new ATOM 0 HH21 ARG A 62 20.350 -9.820 -8.548 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.111 -9.671 -8.540 1.00 4.66 H new ATOM 932 N ASP A 63 15.614 -8.477 -2.179 1.00 0.81 N ATOM 933 CA ASP A 63 15.465 -7.856 -0.884 1.00 0.75 C ATOM 934 C ASP A 63 14.052 -7.312 -0.713 1.00 0.61 C ATOM 935 O ASP A 63 13.391 -6.971 -1.698 1.00 0.69 O ATOM 936 CB ASP A 63 16.483 -6.725 -0.752 1.00 0.92 C ATOM 937 CG ASP A 63 16.560 -5.849 -1.984 1.00 1.70 C ATOM 938 OD1 ASP A 63 17.273 -6.213 -2.942 1.00 2.02 O ATOM 939 OD2 ASP A 63 15.914 -4.794 -1.998 1.00 2.51 O ATOM 0 H ASP A 63 15.198 -7.944 -2.943 1.00 0.81 H new ATOM 0 HA ASP A 63 15.641 -8.599 -0.106 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.223 -6.109 0.109 1.00 0.92 H new ATOM 0 HB3 ASP A 63 17.467 -7.151 -0.554 1.00 0.92 H new ATOM 944 N LYS A 64 13.586 -7.246 0.534 1.00 0.51 N ATOM 945 CA LYS A 64 12.240 -6.765 0.823 1.00 0.48 C ATOM 946 C LYS A 64 12.138 -6.253 2.257 1.00 0.52 C ATOM 947 O LYS A 64 12.868 -6.711 3.136 1.00 0.86 O ATOM 948 CB LYS A 64 11.213 -7.889 0.635 1.00 0.57 C ATOM 949 CG LYS A 64 11.202 -8.901 1.776 1.00 0.65 C ATOM 950 CD LYS A 64 9.955 -9.765 1.754 1.00 0.84 C ATOM 951 CE LYS A 64 10.023 -10.832 0.673 1.00 1.52 C ATOM 952 NZ LYS A 64 11.029 -11.882 0.992 1.00 2.07 N ATOM 0 H LYS A 64 14.122 -7.520 1.358 1.00 0.51 H new ATOM 0 HA LYS A 64 12.031 -5.950 0.130 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.220 -7.450 0.540 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.423 -8.409 -0.299 1.00 0.57 H new ATOM 0 HG2 LYS A 64 12.085 -9.536 1.706 1.00 0.65 H new ATOM 0 HG3 LYS A 64 11.262 -8.375 2.729 1.00 0.65 H new ATOM 0 HD2 LYS A 64 9.826 -10.241 2.726 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.080 -9.136 1.589 1.00 0.84 H new ATOM 0 HE2 LYS A 64 9.042 -11.293 0.555 1.00 1.52 H new ATOM 0 HE3 LYS A 64 10.273 -10.367 -0.281 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 10.874 -12.709 0.380 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 11.985 -11.507 0.831 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.931 -12.165 1.988 1.00 2.07 H new ATOM 966 N LEU A 65 11.218 -5.321 2.490 1.00 0.34 N ATOM 967 CA LEU A 65 10.882 -4.886 3.841 1.00 0.34 C ATOM 968 C LEU A 65 9.390 -4.672 3.881 1.00 0.38 C ATOM 969 O LEU A 65 8.857 -3.919 3.067 1.00 0.72 O ATOM 970 CB LEU A 65 11.548 -3.567 4.268 1.00 0.52 C ATOM 971 CG LEU A 65 12.887 -3.222 3.636 1.00 1.18 C ATOM 972 CD1 LEU A 65 13.250 -1.779 3.941 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.992 -4.147 4.126 1.00 1.96 C ATOM 0 H LEU A 65 10.689 -4.851 1.755 1.00 0.34 H new ATOM 0 HA LEU A 65 11.240 -5.656 4.524 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.854 -2.754 4.052 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.683 -3.592 5.349 1.00 0.52 H new ATOM 0 HG LEU A 65 12.790 -3.354 2.558 1.00 1.18 H new ATOM 0 HD11 LEU A 65 14.211 -1.541 3.484 1.00 1.98 H new ATOM 0 HD12 LEU A 65 12.483 -1.118 3.538 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.317 -1.641 5.020 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.934 -3.871 3.653 1.00 1.96 H new ATOM 0 HD22 LEU A 65 14.089 -4.057 5.208 1.00 1.96 H new ATOM 0 HD23 LEU A 65 13.745 -5.177 3.868 1.00 1.96 H new ATOM 985 N TYR A 66 8.718 -5.319 4.803 1.00 0.32 N ATOM 986 CA TYR A 66 7.274 -5.239 4.862 1.00 0.34 C ATOM 987 C TYR A 66 6.828 -3.853 5.289 1.00 0.36 C ATOM 988 O TYR A 66 7.380 -3.266 6.216 1.00 0.44 O ATOM 989 CB TYR A 66 6.731 -6.301 5.804 1.00 0.39 C ATOM 990 CG TYR A 66 7.031 -7.709 5.344 1.00 0.41 C ATOM 991 CD1 TYR A 66 6.243 -8.329 4.384 1.00 0.50 C ATOM 992 CD2 TYR A 66 8.106 -8.411 5.864 1.00 0.55 C ATOM 993 CE1 TYR A 66 6.523 -9.615 3.955 1.00 0.59 C ATOM 994 CE2 TYR A 66 8.396 -9.692 5.438 1.00 0.64 C ATOM 995 CZ TYR A 66 7.562 -10.309 4.512 1.00 0.62 C ATOM 996 OH TYR A 66 7.890 -11.571 4.055 1.00 0.75 O ATOM 0 H TYR A 66 9.144 -5.905 5.521 1.00 0.32 H new ATOM 0 HA TYR A 66 6.873 -5.424 3.865 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.157 -6.151 6.796 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.652 -6.178 5.898 1.00 0.39 H new ATOM 0 HD1 TYR A 66 5.399 -7.800 3.966 1.00 0.50 H new ATOM 0 HD2 TYR A 66 8.728 -7.948 6.616 1.00 0.55 H new ATOM 0 HE1 TYR A 66 5.922 -10.070 3.182 1.00 0.59 H new ATOM 0 HE2 TYR A 66 9.263 -10.210 5.821 1.00 0.64 H new ATOM 0 HH TYR A 66 7.292 -11.818 3.319 1.00 0.75 H new ATOM 1006 N VAL A 67 5.852 -3.327 4.573 1.00 0.35 N ATOM 1007 CA VAL A 67 5.319 -2.003 4.838 1.00 0.38 C ATOM 1008 C VAL A 67 3.814 -2.070 4.948 1.00 0.40 C ATOM 1009 O VAL A 67 3.219 -3.125 4.748 1.00 0.73 O ATOM 1010 CB VAL A 67 5.699 -0.994 3.731 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.196 -0.759 3.714 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.216 -1.471 2.368 1.00 0.60 C ATOM 0 H VAL A 67 5.406 -3.806 3.791 1.00 0.35 H new ATOM 0 HA VAL A 67 5.754 -1.658 5.776 1.00 0.38 H new ATOM 0 HB VAL A 67 5.204 -0.049 3.952 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.443 -0.046 2.928 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.513 -0.361 4.678 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.710 -1.701 3.524 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.496 -0.743 1.607 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.674 -2.433 2.136 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.132 -1.580 2.384 1.00 0.60 H new ATOM 1022 N ASN A 68 3.210 -0.952 5.284 1.00 0.42 N ATOM 1023 CA ASN A 68 1.767 -0.833 5.274 1.00 0.49 C ATOM 1024 C ASN A 68 1.369 0.610 5.025 1.00 0.43 C ATOM 1025 O ASN A 68 1.865 1.531 5.676 1.00 0.50 O ATOM 1026 CB ASN A 68 1.133 -1.388 6.560 1.00 0.74 C ATOM 1027 CG ASN A 68 1.952 -1.148 7.817 1.00 0.99 C ATOM 1028 OD1 ASN A 68 2.628 -0.131 7.966 1.00 1.81 O ATOM 1029 ND2 ASN A 68 1.898 -2.106 8.732 1.00 1.60 N ATOM 0 H ASN A 68 3.700 -0.104 5.570 1.00 0.42 H new ATOM 0 HA ASN A 68 1.380 -1.443 4.458 1.00 0.49 H new ATOM 0 HB2 ASN A 68 0.149 -0.936 6.690 1.00 0.74 H new ATOM 0 HB3 ASN A 68 0.978 -2.460 6.441 1.00 0.74 H new ATOM 0 HD21 ASN A 68 2.429 -2.015 9.598 1.00 1.60 H new ATOM 0 HD22 ASN A 68 1.325 -2.934 8.570 1.00 1.60 H new ATOM 1036 N ILE A 69 0.499 0.797 4.046 1.00 0.42 N ATOM 1037 CA ILE A 69 0.111 2.128 3.607 1.00 0.41 C ATOM 1038 C ILE A 69 -0.925 2.715 4.550 1.00 0.41 C ATOM 1039 O ILE A 69 -2.126 2.561 4.347 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.455 2.110 2.174 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.182 0.759 1.508 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.160 3.236 1.359 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.804 0.616 0.138 1.00 0.74 C ATOM 0 H ILE A 69 0.045 0.038 3.537 1.00 0.42 H new ATOM 0 HA ILE A 69 1.008 2.747 3.615 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.534 2.258 2.221 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.895 0.617 1.424 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -0.559 -0.036 2.152 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.245 3.216 0.347 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -0.075 4.193 1.825 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.242 3.107 1.319 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.566 -0.367 -0.269 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.886 0.724 0.216 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.409 1.387 -0.523 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.444 3.367 5.593 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.315 3.899 6.628 1.00 0.45 C ATOM 1057 C ARG A 70 -1.806 5.286 6.240 1.00 0.39 C ATOM 1058 O ARG A 70 -1.039 6.098 5.716 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.572 3.973 7.965 1.00 0.55 C ATOM 1060 CG ARG A 70 0.211 2.717 8.303 1.00 1.33 C ATOM 1061 CD ARG A 70 1.070 2.916 9.540 1.00 1.39 C ATOM 1062 NE ARG A 70 2.012 1.815 9.736 1.00 2.23 N ATOM 1063 CZ ARG A 70 2.822 1.704 10.789 1.00 2.69 C ATOM 1064 NH1 ARG A 70 2.826 2.637 11.734 1.00 2.42 N ATOM 1065 NH2 ARG A 70 3.641 0.663 10.887 1.00 3.79 N ATOM 0 H ARG A 70 0.549 3.542 5.747 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.171 3.232 6.734 1.00 0.45 H new ATOM 0 HB2 ARG A 70 0.112 4.821 7.943 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.293 4.165 8.760 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -0.479 1.889 8.467 1.00 1.33 H new ATOM 0 HG3 ARG A 70 0.844 2.443 7.459 1.00 1.33 H new ATOM 0 HD2 ARG A 70 1.620 3.853 9.452 1.00 1.39 H new ATOM 0 HD3 ARG A 70 0.428 3.004 10.417 1.00 1.39 H new ATOM 0 HE ARG A 70 2.052 1.087 9.023 1.00 2.23 H new ATOM 0 HH11 ARG A 70 2.207 3.444 11.657 1.00 2.42 H new ATOM 0 HH12 ARG A 70 3.448 2.547 12.537 1.00 2.42 H new ATOM 0 HH21 ARG A 70 3.649 -0.050 10.157 1.00 3.79 H new ATOM 0 HH22 ARG A 70 4.262 0.576 11.692 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.095 5.565 6.467 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.659 6.897 6.253 1.00 0.44 C ATOM 1081 C PRO A 71 -2.844 7.982 6.948 1.00 0.47 C ATOM 1082 O PRO A 71 -2.617 7.917 8.158 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.043 6.791 6.885 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.401 5.353 6.770 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.113 4.598 6.926 1.00 0.50 C ATOM 0 HA PRO A 71 -3.672 7.176 5.199 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.029 7.114 7.926 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.765 7.422 6.366 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.118 5.066 7.539 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -5.864 5.141 5.806 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -3.945 4.298 7.960 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.104 3.689 6.325 1.00 0.50 H new ATOM 1093 N MET A 72 -2.406 8.976 6.187 1.00 0.52 N ATOM 1094 CA MET A 72 -1.571 10.038 6.732 1.00 0.65 C ATOM 1095 C MET A 72 -2.407 11.008 7.564 1.00 0.81 C ATOM 1096 O MET A 72 -2.865 12.035 7.064 1.00 1.66 O ATOM 1097 CB MET A 72 -0.840 10.782 5.607 1.00 0.75 C ATOM 1098 CG MET A 72 0.151 11.827 6.101 1.00 0.89 C ATOM 1099 SD MET A 72 1.087 12.579 4.757 1.00 1.54 S ATOM 1100 CE MET A 72 2.115 13.733 5.663 1.00 1.71 C ATOM 0 H MET A 72 -2.614 9.069 5.193 1.00 0.52 H new ATOM 0 HA MET A 72 -0.824 9.585 7.384 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.310 10.057 4.989 1.00 0.75 H new ATOM 0 HB3 MET A 72 -1.577 11.268 4.967 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.386 12.604 6.645 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.842 11.364 6.806 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.753 14.276 4.966 1.00 1.71 H new ATOM 0 HE2 MET A 72 1.482 14.439 6.201 1.00 1.71 H new ATOM 0 HE3 MET A 72 2.736 13.187 6.374 1.00 1.71 H new ATOM 1110 N ASP A 73 -2.648 10.628 8.822 1.00 0.85 N ATOM 1111 CA ASP A 73 -3.368 11.466 9.792 1.00 0.91 C ATOM 1112 C ASP A 73 -4.798 11.758 9.347 1.00 0.97 C ATOM 1113 O ASP A 73 -5.422 12.709 9.820 1.00 1.54 O ATOM 1114 CB ASP A 73 -2.624 12.784 10.027 1.00 1.06 C ATOM 1115 CG ASP A 73 -1.289 12.586 10.710 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -0.283 12.370 10.003 1.00 1.92 O ATOM 1117 OD2 ASP A 73 -1.242 12.631 11.955 1.00 1.74 O ATOM 0 H ASP A 73 -2.350 9.729 9.200 1.00 0.85 H new ATOM 0 HA ASP A 73 -3.413 10.903 10.724 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.468 13.284 9.071 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.244 13.443 10.634 1.00 1.06 H new ATOM 1122 N ASN A 74 -5.325 10.927 8.460 1.00 0.80 N ATOM 1123 CA ASN A 74 -6.663 11.138 7.927 1.00 0.90 C ATOM 1124 C ASN A 74 -7.714 10.420 8.762 1.00 1.03 C ATOM 1125 O ASN A 74 -8.699 11.027 9.184 1.00 1.89 O ATOM 1126 CB ASN A 74 -6.739 10.678 6.471 1.00 0.90 C ATOM 1127 CG ASN A 74 -6.414 11.791 5.495 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.308 12.483 5.014 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -5.138 11.977 5.198 1.00 1.21 N ATOM 0 H ASN A 74 -4.848 10.102 8.095 1.00 0.80 H new ATOM 0 HA ASN A 74 -6.872 12.207 7.971 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.046 9.851 6.318 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -7.740 10.298 6.265 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -4.868 12.716 4.549 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -4.424 11.381 5.618 1.00 1.21 H new ATOM 1136 N SER A 75 -7.503 9.135 9.004 1.00 0.90 N ATOM 1137 CA SER A 75 -8.457 8.339 9.759 1.00 0.90 C ATOM 1138 C SER A 75 -7.827 7.006 10.140 1.00 0.84 C ATOM 1139 O SER A 75 -6.674 6.739 9.792 1.00 0.93 O ATOM 1140 CB SER A 75 -9.728 8.116 8.929 1.00 0.93 C ATOM 1141 OG SER A 75 -10.828 7.769 9.753 1.00 1.70 O ATOM 0 H SER A 75 -6.680 8.622 8.688 1.00 0.90 H new ATOM 0 HA SER A 75 -8.729 8.871 10.670 1.00 0.90 H new ATOM 0 HB2 SER A 75 -9.962 9.021 8.369 1.00 0.93 H new ATOM 0 HB3 SER A 75 -9.554 7.325 8.199 1.00 0.93 H new ATOM 0 HG SER A 75 -11.624 7.635 9.197 1.00 1.70 H new ATOM 1147 N ALA A 76 -8.581 6.179 10.851 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.088 4.883 11.293 1.00 0.78 C ATOM 1149 C ALA A 76 -8.622 3.774 10.398 1.00 0.63 C ATOM 1150 O ALA A 76 -9.833 3.630 10.220 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.472 4.630 12.744 1.00 0.94 C ATOM 0 H ALA A 76 -9.539 6.384 11.134 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.000 4.888 11.222 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.094 3.656 13.056 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.039 5.406 13.375 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -9.558 4.646 12.841 1.00 0.94 H new ATOM 1157 N TRP A 77 -7.713 3.003 9.831 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.072 1.914 8.938 1.00 0.38 C ATOM 1159 C TRP A 77 -7.642 0.579 9.541 1.00 0.40 C ATOM 1160 O TRP A 77 -6.800 0.539 10.439 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.402 2.111 7.573 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.096 3.094 6.665 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.784 4.225 7.017 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.147 3.028 5.236 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.270 4.853 5.889 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.886 4.137 4.786 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.636 2.138 4.294 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.131 4.369 3.435 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.879 2.371 2.955 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.619 3.480 2.536 1.00 0.42 C ATOM 0 H TRP A 77 -6.709 3.112 9.975 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.154 1.910 8.805 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.377 2.446 7.732 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.348 1.147 7.068 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.925 4.574 8.029 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.824 5.709 5.878 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.059 1.280 4.606 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.706 5.223 3.110 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.490 1.684 2.218 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.789 3.636 1.481 1.00 0.42 H new ATOM 1181 N THR A 78 -8.227 -0.503 9.056 1.00 0.38 N ATOM 1182 CA THR A 78 -7.851 -1.836 9.486 1.00 0.40 C ATOM 1183 C THR A 78 -6.606 -2.282 8.722 1.00 0.36 C ATOM 1184 O THR A 78 -6.642 -2.465 7.502 1.00 0.37 O ATOM 1185 CB THR A 78 -9.006 -2.828 9.256 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.217 -2.297 9.817 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.703 -4.179 9.886 1.00 0.49 C ATOM 0 H THR A 78 -8.971 -0.482 8.358 1.00 0.38 H new ATOM 0 HA THR A 78 -7.632 -1.817 10.554 1.00 0.40 H new ATOM 0 HB THR A 78 -9.126 -2.970 8.182 1.00 0.45 H new ATOM 0 HG1 THR A 78 -10.951 -2.929 9.668 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.536 -4.859 9.707 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.797 -4.592 9.443 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.559 -4.056 10.959 1.00 0.49 H new ATOM 1195 N THR A 79 -5.505 -2.436 9.438 1.00 0.41 N ATOM 1196 CA THR A 79 -4.221 -2.678 8.807 1.00 0.40 C ATOM 1197 C THR A 79 -3.877 -4.162 8.735 1.00 0.38 C ATOM 1198 O THR A 79 -3.584 -4.807 9.745 1.00 0.50 O ATOM 1199 CB THR A 79 -3.089 -1.899 9.518 1.00 0.51 C ATOM 1200 OG1 THR A 79 -1.809 -2.292 9.005 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.123 -2.109 11.027 1.00 0.59 C ATOM 0 H THR A 79 -5.476 -2.398 10.457 1.00 0.41 H new ATOM 0 HA THR A 79 -4.308 -2.312 7.784 1.00 0.40 H new ATOM 0 HB THR A 79 -3.250 -0.840 9.318 1.00 0.51 H new ATOM 0 HG1 THR A 79 -1.636 -1.822 8.163 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.313 -1.546 11.491 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.078 -1.762 11.421 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.002 -3.169 11.250 1.00 0.59 H new ATOM 1209 N ASP A 80 -3.931 -4.693 7.527 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.436 -6.026 7.235 1.00 0.32 C ATOM 1211 C ASP A 80 -2.297 -5.902 6.237 1.00 0.36 C ATOM 1212 O ASP A 80 -2.145 -4.862 5.601 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.544 -6.924 6.665 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.555 -7.357 7.712 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -6.520 -6.602 7.962 1.00 1.70 O ATOM 1216 OD2 ASP A 80 -5.390 -8.443 8.301 1.00 1.65 O ATOM 0 H ASP A 80 -4.321 -4.210 6.718 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.087 -6.489 8.158 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.061 -6.391 5.867 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.092 -7.809 6.217 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.479 -6.933 6.108 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.373 -6.882 5.161 1.00 0.57 C ATOM 1223 C ASN A 81 -0.827 -7.292 3.773 1.00 0.59 C ATOM 1224 O ASN A 81 -0.077 -7.175 2.817 1.00 0.72 O ATOM 1225 CB ASN A 81 0.792 -7.769 5.602 1.00 0.68 C ATOM 1226 CG ASN A 81 1.651 -7.124 6.673 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.392 -7.280 7.865 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.689 -6.408 6.260 1.00 0.80 N ATOM 0 H ASN A 81 -1.555 -7.802 6.636 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.027 -5.849 5.134 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.401 -8.714 5.978 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.413 -8.002 4.737 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.305 -5.964 6.941 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.871 -6.302 5.262 1.00 0.80 H new ATOM 1235 N GLY A 82 -2.046 -7.783 3.667 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.575 -8.148 2.373 1.00 0.65 C ATOM 1237 C GLY A 82 -3.507 -7.091 1.832 1.00 0.48 C ATOM 1238 O GLY A 82 -3.542 -6.825 0.632 1.00 0.57 O ATOM 0 H GLY A 82 -2.680 -7.936 4.451 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.753 -8.301 1.674 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -3.107 -9.096 2.452 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.258 -6.477 2.728 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.216 -5.459 2.351 1.00 0.44 C ATOM 1244 C VAL A 83 -5.192 -4.337 3.367 1.00 0.36 C ATOM 1245 O VAL A 83 -4.802 -4.542 4.514 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.652 -6.025 2.260 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.763 -7.063 1.153 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -7.074 -6.622 3.596 1.00 0.67 C ATOM 0 H VAL A 83 -4.221 -6.669 3.729 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.932 -5.089 1.366 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.324 -5.202 2.018 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.784 -7.444 1.112 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.508 -6.605 0.197 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -6.077 -7.885 1.355 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -8.087 -7.016 3.515 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.392 -7.428 3.866 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.046 -5.850 4.365 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.610 -3.159 2.959 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.655 -2.035 3.866 1.00 0.29 C ATOM 1260 C PHE A 84 -6.980 -1.335 3.684 1.00 0.29 C ATOM 1261 O PHE A 84 -7.150 -0.568 2.743 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.496 -1.078 3.587 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.911 -0.461 4.821 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.614 0.483 5.547 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.648 -0.828 5.251 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.066 1.051 6.681 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.095 -0.264 6.381 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.805 0.676 7.099 1.00 0.36 C ATOM 0 H PHE A 84 -5.922 -2.956 2.009 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.557 -2.380 4.895 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.712 -1.617 3.055 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.843 -0.285 2.925 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.601 0.779 5.224 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.089 -1.565 4.695 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.624 1.788 7.240 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.107 -0.558 6.704 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.375 1.117 7.986 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.931 -1.633 4.548 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.280 -1.132 4.360 1.00 0.34 C ATOM 1280 C TYR A 85 -9.833 -0.539 5.637 1.00 0.34 C ATOM 1281 O TYR A 85 -9.533 -1.003 6.733 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.208 -2.232 3.825 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.494 -3.366 4.786 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.464 -4.171 5.260 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.783 -3.616 5.239 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.712 -5.195 6.154 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.038 -4.636 6.136 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.043 -5.475 6.513 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.251 -6.442 7.479 1.00 0.59 O ATOM 0 H TYR A 85 -7.798 -2.212 5.377 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.232 -0.336 3.617 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.155 -1.776 3.536 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.766 -2.648 2.920 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.453 -3.993 4.924 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.599 -3.004 4.885 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.898 -5.770 6.570 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.032 -4.765 6.537 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.213 -6.542 7.640 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.623 0.505 5.486 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.235 1.157 6.623 1.00 0.37 C ATOM 1301 C LYS A 86 -12.436 0.365 7.109 1.00 0.39 C ATOM 1302 O LYS A 86 -13.112 -0.300 6.324 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.659 2.585 6.272 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.606 2.684 5.085 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.279 4.046 5.040 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.138 4.221 3.799 1.00 0.61 C ATOM 1307 NZ LYS A 86 -15.085 5.355 3.952 1.00 1.39 N ATOM 0 H LYS A 86 -10.856 0.920 4.584 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.494 1.202 7.422 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.138 3.033 7.142 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.767 3.175 6.060 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -12.055 2.516 4.160 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.363 1.902 5.152 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -13.897 4.173 5.929 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.518 4.826 5.066 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.499 4.393 2.933 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.694 3.304 3.607 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -16.049 5.034 3.731 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.052 5.705 4.931 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.818 6.121 3.301 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.687 0.435 8.406 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.861 -0.195 8.992 1.00 0.51 C ATOM 1323 C ASN A 87 -15.109 0.592 8.600 1.00 0.55 C ATOM 1324 O ASN A 87 -16.220 0.060 8.577 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.709 -0.265 10.517 1.00 0.61 C ATOM 1326 CG ASN A 87 -14.883 -0.932 11.213 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.822 -0.264 11.647 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -14.830 -2.251 11.340 1.00 2.12 N ATOM 0 H ASN A 87 -12.092 0.923 9.076 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.960 -1.213 8.615 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -12.796 -0.810 10.759 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.590 0.745 10.909 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.585 -2.749 11.811 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -14.034 -2.768 10.966 1.00 2.12 H new ATOM 1335 N ASP A 88 -14.898 1.864 8.272 1.00 0.51 N ATOM 1336 CA ASP A 88 -15.967 2.740 7.808 1.00 0.54 C ATOM 1337 C ASP A 88 -16.385 2.360 6.395 1.00 0.46 C ATOM 1338 O ASP A 88 -15.641 1.692 5.676 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.507 4.203 7.794 1.00 0.62 C ATOM 1340 CG ASP A 88 -14.945 4.675 9.117 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -13.745 4.447 9.373 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -15.712 5.243 9.922 1.00 1.62 O ATOM 0 H ASP A 88 -13.984 2.314 8.321 1.00 0.51 H new ATOM 0 HA ASP A 88 -16.807 2.626 8.494 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -14.749 4.329 7.021 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.350 4.837 7.520 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.557 2.810 5.984 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.015 2.582 4.624 1.00 0.51 C ATOM 1349 C VAL A 89 -18.300 3.904 3.927 1.00 0.51 C ATOM 1350 O VAL A 89 -18.806 4.841 4.539 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.271 1.685 4.567 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.941 0.274 5.027 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.407 2.267 5.402 1.00 0.93 C ATOM 0 H VAL A 89 -18.207 3.334 6.570 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.210 2.060 4.106 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.605 1.645 3.530 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.838 -0.343 4.980 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.174 -0.150 4.379 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.574 0.302 6.053 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.276 1.612 5.341 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.089 2.351 6.441 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.669 3.254 5.022 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.922 3.994 2.661 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.210 5.183 1.887 1.00 0.46 C ATOM 1365 C GLY A 90 -16.958 5.802 1.319 1.00 0.39 C ATOM 1366 O GLY A 90 -15.929 5.133 1.217 1.00 0.43 O ATOM 0 H GLY A 90 -17.420 3.264 2.155 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.891 4.931 1.074 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.721 5.911 2.517 1.00 0.46 H new ATOM 1370 N SER A 91 -17.031 7.078 0.975 1.00 0.44 N ATOM 1371 CA SER A 91 -15.903 7.782 0.405 1.00 0.50 C ATOM 1372 C SER A 91 -14.811 7.972 1.449 1.00 0.48 C ATOM 1373 O SER A 91 -15.031 7.760 2.642 1.00 0.77 O ATOM 1374 CB SER A 91 -16.358 9.137 -0.143 1.00 0.69 C ATOM 1375 OG SER A 91 -17.397 8.975 -1.096 1.00 1.17 O ATOM 0 H SER A 91 -17.870 7.648 1.084 1.00 0.44 H new ATOM 0 HA SER A 91 -15.495 7.189 -0.413 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.705 9.767 0.676 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.513 9.650 -0.603 1.00 0.69 H new ATOM 0 HG SER A 91 -17.588 8.021 -1.213 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.640 8.352 0.992 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.508 8.581 1.866 1.00 0.45 C ATOM 1383 C TRP A 92 -11.583 9.602 1.230 1.00 0.44 C ATOM 1384 O TRP A 92 -11.254 10.614 1.848 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.770 7.278 2.146 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.748 7.460 3.207 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.950 7.493 4.556 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.365 7.678 2.997 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.760 7.718 5.199 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.769 7.834 4.255 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.575 7.748 1.855 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.410 8.069 4.399 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.234 7.978 1.996 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.655 8.137 3.260 1.00 0.51 C ATOM 0 H TRP A 92 -13.443 8.512 0.004 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.864 8.969 2.821 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.482 6.511 2.451 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.292 6.924 1.233 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.904 7.362 5.044 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.632 7.788 6.209 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -9.012 7.623 0.875 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.964 8.194 5.375 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.611 8.038 1.116 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.593 8.317 3.338 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.227 9.319 -0.022 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.364 10.179 -0.837 1.00 0.49 C ATOM 1407 C GLY A 93 -9.384 11.049 -0.059 1.00 0.57 C ATOM 1408 O GLY A 93 -9.692 12.197 0.276 1.00 1.25 O ATOM 0 H GLY A 93 -11.533 8.475 -0.507 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.798 9.550 -1.524 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.996 10.827 -1.444 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.195 10.522 0.193 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.197 11.258 0.944 1.00 0.50 C ATOM 1414 C GLY A 94 -5.795 10.739 0.703 1.00 0.50 C ATOM 1415 O GLY A 94 -5.499 10.211 -0.368 1.00 0.72 O ATOM 0 H GLY A 94 -7.902 9.593 -0.111 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.244 12.312 0.669 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.427 11.195 2.008 1.00 0.50 H new ATOM 1419 N THR A 95 -4.931 10.868 1.700 1.00 0.46 N ATOM 1420 CA THR A 95 -3.536 10.483 1.549 1.00 0.45 C ATOM 1421 C THR A 95 -3.169 9.268 2.405 1.00 0.40 C ATOM 1422 O THR A 95 -3.396 9.248 3.618 1.00 0.45 O ATOM 1423 CB THR A 95 -2.606 11.658 1.903 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.043 12.276 3.121 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.581 12.689 0.782 1.00 0.60 C ATOM 0 H THR A 95 -5.171 11.236 2.621 1.00 0.46 H new ATOM 0 HA THR A 95 -3.401 10.209 0.503 1.00 0.45 H new ATOM 0 HB THR A 95 -1.597 11.268 2.035 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.447 13.022 3.342 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.917 13.509 1.056 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.221 12.221 -0.134 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.587 13.076 0.621 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.621 8.250 1.756 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.063 7.091 2.449 1.00 0.39 C ATOM 1435 C ILE A 96 -0.560 7.016 2.197 1.00 0.40 C ATOM 1436 O ILE A 96 -0.119 7.076 1.052 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.718 5.767 2.001 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.937 5.770 0.487 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.032 5.549 2.737 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.735 4.424 -0.168 1.00 1.63 C ATOM 0 H ILE A 96 -2.550 8.201 0.740 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.267 7.221 3.512 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.049 4.943 2.249 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -3.949 6.116 0.278 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -2.255 6.489 0.033 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.481 4.611 2.410 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -3.845 5.507 3.810 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.712 6.372 2.519 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.909 4.511 -1.240 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -1.715 4.083 0.008 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -3.436 3.704 0.256 1.00 1.63 H new ATOM 1452 N GLY A 97 0.224 6.882 3.252 1.00 0.39 N ATOM 1453 CA GLY A 97 1.662 6.950 3.104 1.00 0.45 C ATOM 1454 C GLY A 97 2.331 5.608 3.280 1.00 0.39 C ATOM 1455 O GLY A 97 1.753 4.691 3.858 1.00 0.37 O ATOM 0 H GLY A 97 -0.106 6.728 4.205 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.903 7.345 2.117 1.00 0.45 H new ATOM 0 HA3 GLY A 97 2.065 7.651 3.835 1.00 0.45 H new ATOM 1459 N ILE A 98 3.549 5.489 2.779 1.00 0.38 N ATOM 1460 CA ILE A 98 4.319 4.270 2.945 1.00 0.36 C ATOM 1461 C ILE A 98 5.173 4.355 4.203 1.00 0.38 C ATOM 1462 O ILE A 98 6.072 5.191 4.302 1.00 0.42 O ATOM 1463 CB ILE A 98 5.223 3.974 1.717 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.389 3.475 0.534 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.296 2.949 2.063 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.521 4.531 -0.116 1.00 0.83 C ATOM 0 H ILE A 98 4.025 6.222 2.254 1.00 0.38 H new ATOM 0 HA ILE A 98 3.607 3.450 3.037 1.00 0.36 H new ATOM 0 HB ILE A 98 5.711 4.907 1.434 1.00 0.41 H new ATOM 0 HG12 ILE A 98 5.061 3.062 -0.219 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.752 2.659 0.874 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.915 2.760 1.186 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.919 3.333 2.871 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.823 2.020 2.380 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.967 4.088 -0.943 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.820 4.929 0.618 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.150 5.338 -0.492 1.00 0.83 H new ATOM 1478 N TYR A 99 4.849 3.514 5.168 1.00 0.42 N ATOM 1479 CA TYR A 99 5.635 3.386 6.383 1.00 0.53 C ATOM 1480 C TYR A 99 6.198 1.972 6.430 1.00 0.44 C ATOM 1481 O TYR A 99 5.442 1.010 6.272 1.00 0.50 O ATOM 1482 CB TYR A 99 4.775 3.615 7.645 1.00 0.73 C ATOM 1483 CG TYR A 99 3.827 4.804 7.610 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.781 4.854 6.700 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.997 5.886 8.460 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.932 5.943 6.644 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.155 6.977 8.407 1.00 1.11 C ATOM 1488 CZ TYR A 99 2.062 6.955 7.592 1.00 0.92 C ATOM 1489 OH TYR A 99 1.286 8.094 7.449 1.00 1.28 O ATOM 0 H TYR A 99 4.035 2.901 5.132 1.00 0.42 H new ATOM 0 HA TYR A 99 6.425 4.137 6.370 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.188 2.715 7.826 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.444 3.736 8.497 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.627 4.027 6.023 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.804 5.874 9.177 1.00 0.88 H new ATOM 0 HE1 TYR A 99 1.177 6.008 5.875 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.361 7.848 9.011 1.00 1.11 H new ATOM 0 HH TYR A 99 1.479 8.716 8.182 1.00 1.28 H new ATOM 1499 N VAL A 100 7.509 1.834 6.597 1.00 0.44 N ATOM 1500 CA VAL A 100 8.094 0.514 6.798 1.00 0.40 C ATOM 1501 C VAL A 100 7.539 -0.064 8.098 1.00 0.42 C ATOM 1502 O VAL A 100 7.594 0.586 9.145 1.00 0.56 O ATOM 1503 CB VAL A 100 9.645 0.551 6.839 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.165 1.337 8.037 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.211 -0.861 6.829 1.00 0.78 C ATOM 0 H VAL A 100 8.176 2.605 6.597 1.00 0.44 H new ATOM 0 HA VAL A 100 7.825 -0.117 5.951 1.00 0.40 H new ATOM 0 HB VAL A 100 9.985 1.070 5.943 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.255 1.337 8.027 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.801 2.363 7.985 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.811 0.873 8.958 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.300 -0.817 6.858 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.847 -1.405 7.700 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.893 -1.374 5.921 1.00 0.78 H new ATOM 1515 N ASP A 101 6.955 -1.250 8.032 1.00 0.40 N ATOM 1516 CA ASP A 101 6.363 -1.849 9.217 1.00 0.50 C ATOM 1517 C ASP A 101 7.464 -2.370 10.115 1.00 0.59 C ATOM 1518 O ASP A 101 7.888 -3.521 10.007 1.00 0.77 O ATOM 1519 CB ASP A 101 5.390 -2.969 8.856 1.00 0.67 C ATOM 1520 CG ASP A 101 4.640 -3.477 10.069 1.00 0.83 C ATOM 1521 OD1 ASP A 101 3.788 -2.736 10.603 1.00 0.93 O ATOM 1522 OD2 ASP A 101 4.894 -4.625 10.493 1.00 1.02 O ATOM 0 H ASP A 101 6.879 -1.810 7.183 1.00 0.40 H new ATOM 0 HA ASP A 101 5.792 -1.084 9.743 1.00 0.50 H new ATOM 0 HB2 ASP A 101 4.678 -2.607 8.114 1.00 0.67 H new ATOM 0 HB3 ASP A 101 5.938 -3.792 8.397 1.00 0.67 H new ATOM 1527 N GLY A 102 7.944 -1.496 10.975 1.00 0.61 N ATOM 1528 CA GLY A 102 9.108 -1.795 11.763 1.00 0.81 C ATOM 1529 C GLY A 102 10.362 -1.351 11.047 1.00 0.85 C ATOM 1530 O GLY A 102 10.702 -1.893 9.997 1.00 1.53 O ATOM 0 H GLY A 102 7.542 -0.574 11.142 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.038 -1.295 12.729 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.155 -2.866 11.960 1.00 0.81 H new ATOM 1534 N GLN A 103 11.029 -0.343 11.593 1.00 0.64 N ATOM 1535 CA GLN A 103 12.243 0.191 10.989 1.00 0.60 C ATOM 1536 C GLN A 103 13.237 -0.924 10.685 1.00 0.61 C ATOM 1537 O GLN A 103 13.761 -1.579 11.587 1.00 0.65 O ATOM 1538 CB GLN A 103 12.879 1.249 11.892 1.00 0.71 C ATOM 1539 CG GLN A 103 12.969 0.840 13.353 1.00 1.01 C ATOM 1540 CD GLN A 103 13.790 1.813 14.166 1.00 1.35 C ATOM 1541 OE1 GLN A 103 13.274 2.800 14.686 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.075 1.532 14.286 1.00 2.11 N ATOM 0 H GLN A 103 10.749 0.123 12.456 1.00 0.64 H new ATOM 0 HA GLN A 103 11.968 0.666 10.047 1.00 0.60 H new ATOM 0 HB2 GLN A 103 13.881 1.471 11.525 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.301 2.170 11.818 1.00 0.71 H new ATOM 0 HG2 GLN A 103 11.965 0.774 13.773 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.410 -0.154 13.424 1.00 1.01 H new ATOM 0 HE21 GLN A 103 15.459 0.701 13.836 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.683 2.146 14.828 1.00 2.11 H new ATOM 1551 N GLN A 104 13.484 -1.132 9.402 1.00 0.73 N ATOM 1552 CA GLN A 104 14.314 -2.233 8.946 1.00 0.94 C ATOM 1553 C GLN A 104 15.770 -1.804 8.814 1.00 1.02 C ATOM 1554 O GLN A 104 16.545 -2.420 8.084 1.00 1.28 O ATOM 1555 CB GLN A 104 13.768 -2.771 7.617 1.00 1.12 C ATOM 1556 CG GLN A 104 12.446 -3.514 7.766 1.00 1.96 C ATOM 1557 CD GLN A 104 12.554 -4.766 8.626 1.00 1.98 C ATOM 1558 OE1 GLN A 104 13.369 -4.845 9.546 1.00 2.02 O ATOM 1559 NE2 GLN A 104 11.726 -5.754 8.333 1.00 2.62 N ATOM 0 H GLN A 104 13.117 -0.546 8.652 1.00 0.73 H new ATOM 0 HA GLN A 104 14.281 -3.032 9.687 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.634 -1.940 6.924 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.505 -3.440 7.173 1.00 1.12 H new ATOM 0 HG2 GLN A 104 11.707 -2.843 8.204 1.00 1.96 H new ATOM 0 HG3 GLN A 104 12.079 -3.791 6.778 1.00 1.96 H new ATOM 0 HE21 GLN A 104 11.064 -5.653 7.564 1.00 2.62 H new ATOM 0 HE22 GLN A 104 11.749 -6.617 8.876 1.00 2.62 H new ATOM 1568 N THR A 105 16.118 -0.717 9.513 1.00 1.14 N ATOM 1569 CA THR A 105 17.506 -0.270 9.662 1.00 1.42 C ATOM 1570 C THR A 105 18.075 0.342 8.376 1.00 1.11 C ATOM 1571 O THR A 105 19.021 1.127 8.427 1.00 1.04 O ATOM 1572 CB THR A 105 18.409 -1.434 10.128 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.800 -2.111 11.237 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.781 -0.930 10.541 1.00 2.43 C ATOM 0 H THR A 105 15.442 -0.122 9.992 1.00 1.14 H new ATOM 0 HA THR A 105 17.496 0.513 10.420 1.00 1.42 H new ATOM 0 HB THR A 105 18.528 -2.124 9.292 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.376 -2.849 11.526 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.395 -1.770 10.864 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.258 -0.437 9.694 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.676 -0.220 11.362 1.00 2.43 H new ATOM 1582 N ASN A 106 17.472 0.000 7.240 1.00 1.04 N ATOM 1583 CA ASN A 106 17.955 0.422 5.932 1.00 0.88 C ATOM 1584 C ASN A 106 19.257 -0.299 5.592 1.00 0.81 C ATOM 1585 O ASN A 106 20.353 0.199 5.835 1.00 0.79 O ATOM 1586 CB ASN A 106 18.122 1.945 5.850 1.00 0.97 C ATOM 1587 CG ASN A 106 18.548 2.421 4.474 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.707 2.665 3.604 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.845 2.551 4.265 1.00 0.80 N ATOM 0 H ASN A 106 16.633 -0.579 7.203 1.00 1.04 H new ATOM 0 HA ASN A 106 17.204 0.147 5.191 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.180 2.423 6.118 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.862 2.264 6.584 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.186 2.864 3.356 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.506 2.338 5.012 1.00 0.80 H new ATOM 1596 N THR A 107 19.103 -1.495 5.048 1.00 0.86 N ATOM 1597 CA THR A 107 20.227 -2.325 4.638 1.00 0.89 C ATOM 1598 C THR A 107 20.335 -2.254 3.113 1.00 0.80 C ATOM 1599 O THR A 107 19.303 -2.071 2.468 1.00 0.86 O ATOM 1600 CB THR A 107 20.021 -3.789 5.124 1.00 1.13 C ATOM 1601 OG1 THR A 107 21.171 -4.594 4.840 1.00 1.68 O ATOM 1602 CG2 THR A 107 18.791 -4.416 4.482 1.00 1.53 C ATOM 0 H THR A 107 18.192 -1.920 4.877 1.00 0.86 H new ATOM 0 HA THR A 107 21.153 -1.965 5.085 1.00 0.89 H new ATOM 0 HB THR A 107 19.873 -3.751 6.203 1.00 1.13 H new ATOM 0 HG1 THR A 107 21.017 -5.508 5.157 1.00 1.68 H new ATOM 0 HG21 THR A 107 18.674 -5.438 4.841 1.00 1.53 H new ATOM 0 HG22 THR A 107 17.907 -3.835 4.746 1.00 1.53 H new ATOM 0 HG23 THR A 107 18.910 -4.424 3.399 1.00 1.53 H new ATOM 1610 N PRO A 108 21.566 -2.373 2.540 1.00 0.82 N ATOM 1611 CA PRO A 108 21.872 -2.182 1.117 1.00 0.84 C ATOM 1612 C PRO A 108 20.664 -2.251 0.181 1.00 0.76 C ATOM 1613 O PRO A 108 20.275 -3.321 -0.289 1.00 0.91 O ATOM 1614 CB PRO A 108 22.848 -3.328 0.862 1.00 1.07 C ATOM 1615 CG PRO A 108 23.562 -3.526 2.174 1.00 1.26 C ATOM 1616 CD PRO A 108 22.799 -2.747 3.231 1.00 0.99 C ATOM 0 HA PRO A 108 22.259 -1.184 0.912 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.324 -4.233 0.557 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.548 -3.081 0.064 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.603 -4.584 2.432 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.592 -3.174 2.107 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.598 -3.355 4.113 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.355 -1.871 3.566 1.00 0.99 H new ATOM 1624 N PRO A 109 20.033 -1.087 -0.051 1.00 0.61 N ATOM 1625 CA PRO A 109 18.819 -0.970 -0.852 1.00 0.56 C ATOM 1626 C PRO A 109 19.062 -0.946 -2.353 1.00 0.57 C ATOM 1627 O PRO A 109 20.030 -1.509 -2.865 1.00 0.76 O ATOM 1628 CB PRO A 109 18.236 0.383 -0.415 1.00 0.59 C ATOM 1629 CG PRO A 109 19.104 0.871 0.694 1.00 0.64 C ATOM 1630 CD PRO A 109 20.425 0.209 0.502 1.00 0.63 C ATOM 0 HA PRO A 109 18.172 -1.832 -0.690 1.00 0.56 H new ATOM 0 HB2 PRO A 109 18.230 1.090 -1.244 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.204 0.273 -0.082 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.203 1.956 0.664 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.677 0.617 1.664 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.067 0.767 -0.180 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.970 0.105 1.440 1.00 0.63 H new ATOM 1638 N GLY A 110 18.168 -0.254 -3.035 1.00 0.49 N ATOM 1639 CA GLY A 110 18.152 -0.220 -4.469 1.00 0.58 C ATOM 1640 C GLY A 110 16.882 0.442 -4.931 1.00 0.54 C ATOM 1641 O GLY A 110 16.206 1.100 -4.135 1.00 0.76 O ATOM 0 H GLY A 110 17.432 0.301 -2.598 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.018 0.326 -4.842 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.216 -1.232 -4.870 1.00 0.58 H new ATOM 1645 N ASN A 111 16.536 0.275 -6.184 1.00 0.45 N ATOM 1646 CA ASN A 111 15.312 0.862 -6.691 1.00 0.44 C ATOM 1647 C ASN A 111 14.129 -0.016 -6.293 1.00 0.42 C ATOM 1648 O ASN A 111 13.889 -1.064 -6.898 1.00 0.58 O ATOM 1649 CB ASN A 111 15.392 1.010 -8.215 1.00 0.56 C ATOM 1650 CG ASN A 111 14.331 1.925 -8.816 1.00 1.10 C ATOM 1651 OD1 ASN A 111 14.587 2.599 -9.814 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.138 1.952 -8.242 1.00 1.41 N ATOM 0 H ASN A 111 17.075 -0.256 -6.868 1.00 0.45 H new ATOM 0 HA ASN A 111 15.175 1.854 -6.261 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.377 1.394 -8.479 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.302 0.023 -8.669 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.401 2.543 -8.626 1.00 1.41 H new ATOM 0 HD22 ASN A 111 12.957 1.382 -7.416 1.00 1.41 H new ATOM 1659 N TYR A 112 13.403 0.403 -5.263 1.00 0.35 N ATOM 1660 CA TYR A 112 12.244 -0.338 -4.802 1.00 0.37 C ATOM 1661 C TYR A 112 11.024 0.053 -5.612 1.00 0.42 C ATOM 1662 O TYR A 112 10.703 1.232 -5.744 1.00 0.55 O ATOM 1663 CB TYR A 112 11.999 -0.117 -3.304 1.00 0.40 C ATOM 1664 CG TYR A 112 12.918 -0.925 -2.430 1.00 0.40 C ATOM 1665 CD1 TYR A 112 12.657 -2.255 -2.140 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.045 -0.345 -1.880 1.00 0.64 C ATOM 1667 CE1 TYR A 112 13.496 -2.976 -1.326 1.00 0.75 C ATOM 1668 CE2 TYR A 112 14.893 -1.064 -1.069 1.00 0.67 C ATOM 1669 CZ TYR A 112 14.603 -2.447 -0.853 1.00 0.59 C ATOM 1670 OH TYR A 112 15.446 -3.089 0.018 1.00 0.69 O ATOM 0 H TYR A 112 13.600 1.253 -4.734 1.00 0.35 H new ATOM 0 HA TYR A 112 12.437 -1.401 -4.947 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.125 0.941 -3.074 1.00 0.40 H new ATOM 0 HB3 TYR A 112 10.966 -0.373 -3.069 1.00 0.40 H new ATOM 0 HD1 TYR A 112 11.783 -2.730 -2.559 1.00 0.68 H new ATOM 0 HD2 TYR A 112 14.264 0.691 -2.090 1.00 0.64 H new ATOM 0 HE1 TYR A 112 13.242 -3.994 -1.070 1.00 0.75 H new ATOM 0 HE2 TYR A 112 15.752 -0.597 -0.610 1.00 0.67 H new ATOM 0 HH TYR A 112 15.849 -3.863 -0.428 1.00 0.69 H new ATOM 1680 N THR A 113 10.362 -0.937 -6.167 1.00 0.38 N ATOM 1681 CA THR A 113 9.231 -0.699 -7.032 1.00 0.46 C ATOM 1682 C THR A 113 8.066 -1.572 -6.599 1.00 0.51 C ATOM 1683 O THR A 113 7.996 -2.745 -6.944 1.00 0.83 O ATOM 1684 CB THR A 113 9.603 -0.999 -8.495 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.849 -0.363 -8.819 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.524 -0.510 -9.449 1.00 0.74 C ATOM 0 H THR A 113 10.591 -1.922 -6.033 1.00 0.38 H new ATOM 0 HA THR A 113 8.941 0.349 -6.958 1.00 0.46 H new ATOM 0 HB THR A 113 9.697 -2.079 -8.605 1.00 0.62 H new ATOM 0 HG1 THR A 113 11.083 -0.558 -9.751 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.815 -0.736 -10.475 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.583 -1.010 -9.221 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.400 0.567 -9.336 1.00 0.74 H new ATOM 1694 N LEU A 114 7.168 -0.991 -5.826 1.00 0.34 N ATOM 1695 CA LEU A 114 6.041 -1.725 -5.279 1.00 0.38 C ATOM 1696 C LEU A 114 4.766 -1.381 -6.031 1.00 0.40 C ATOM 1697 O LEU A 114 4.205 -0.294 -5.883 1.00 0.47 O ATOM 1698 CB LEU A 114 5.876 -1.456 -3.775 1.00 0.43 C ATOM 1699 CG LEU A 114 6.356 -0.086 -3.285 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.582 0.334 -2.046 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.848 -0.117 -2.977 1.00 0.41 C ATOM 0 H LEU A 114 7.197 -0.006 -5.561 1.00 0.34 H new ATOM 0 HA LEU A 114 6.241 -2.789 -5.405 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.822 -1.563 -3.520 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.417 -2.227 -3.226 1.00 0.43 H new ATOM 0 HG LEU A 114 6.178 0.640 -4.078 1.00 0.41 H new ATOM 0 HD11 LEU A 114 5.934 1.309 -1.710 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.520 0.394 -2.284 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.736 -0.400 -1.255 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.169 0.866 -2.631 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.044 -0.857 -2.201 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.400 -0.382 -3.879 1.00 0.41 H new ATOM 1713 N THR A 115 4.333 -2.314 -6.856 1.00 0.42 N ATOM 1714 CA THR A 115 3.139 -2.142 -7.661 1.00 0.45 C ATOM 1715 C THR A 115 1.884 -2.365 -6.814 1.00 0.44 C ATOM 1716 O THR A 115 1.712 -3.428 -6.215 1.00 0.47 O ATOM 1717 CB THR A 115 3.151 -3.134 -8.839 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.502 -3.332 -9.288 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.302 -2.621 -9.992 1.00 0.59 C ATOM 0 H THR A 115 4.798 -3.212 -6.987 1.00 0.42 H new ATOM 0 HA THR A 115 3.127 -1.123 -8.047 1.00 0.45 H new ATOM 0 HB THR A 115 2.732 -4.080 -8.496 1.00 0.49 H new ATOM 0 HG1 THR A 115 5.020 -3.771 -8.582 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.328 -3.340 -10.811 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.273 -2.490 -9.656 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.696 -1.665 -10.337 1.00 0.59 H new ATOM 1727 N LEU A 116 1.022 -1.360 -6.744 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.213 -1.464 -5.975 1.00 0.47 C ATOM 1729 C LEU A 116 -1.416 -1.583 -6.904 1.00 0.48 C ATOM 1730 O LEU A 116 -1.435 -1.005 -7.988 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.374 -0.248 -5.061 1.00 0.54 C ATOM 1732 CG LEU A 116 0.703 -0.094 -3.984 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.516 1.212 -3.232 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.669 -1.271 -3.019 1.00 1.05 C ATOM 0 H LEU A 116 1.154 -0.462 -7.210 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.159 -2.363 -5.360 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.380 0.651 -5.677 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.347 -0.307 -4.573 1.00 0.54 H new ATOM 0 HG LEU A 116 1.677 -0.078 -4.472 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.289 1.307 -2.470 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.589 2.047 -3.929 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.465 1.221 -2.757 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.442 -1.143 -2.261 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.307 -1.318 -2.537 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.848 -2.196 -3.567 1.00 1.05 H new ATOM 1746 N THR A 117 -2.417 -2.335 -6.476 1.00 0.44 N ATOM 1747 CA THR A 117 -3.612 -2.544 -7.276 1.00 0.48 C ATOM 1748 C THR A 117 -4.845 -2.022 -6.539 1.00 0.58 C ATOM 1749 O THR A 117 -5.274 -2.598 -5.534 1.00 0.70 O ATOM 1750 CB THR A 117 -3.797 -4.037 -7.610 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.574 -4.569 -8.149 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.924 -4.239 -8.612 1.00 0.57 C ATOM 0 H THR A 117 -2.425 -2.813 -5.575 1.00 0.44 H new ATOM 0 HA THR A 117 -3.493 -1.992 -8.208 1.00 0.48 H new ATOM 0 HB THR A 117 -4.055 -4.562 -6.690 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.695 -5.519 -8.359 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.032 -5.302 -8.829 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.856 -3.858 -8.194 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.693 -3.702 -9.532 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.399 -0.923 -7.034 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.540 -0.308 -6.388 1.00 0.79 C ATOM 1762 C GLY A 118 -7.812 -1.120 -6.536 1.00 0.64 C ATOM 1763 O GLY A 118 -7.904 -2.003 -7.393 1.00 0.80 O ATOM 0 H GLY A 118 -5.076 -0.445 -7.875 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.322 -0.174 -5.328 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.698 0.685 -6.809 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.789 -0.834 -5.690 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.060 -1.518 -5.761 1.00 0.50 C ATOM 1769 C GLY A 119 -10.727 -1.594 -4.409 1.00 0.44 C ATOM 1770 O GLY A 119 -10.086 -1.356 -3.388 1.00 0.53 O ATOM 0 H GLY A 119 -8.722 -0.135 -4.950 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.714 -0.999 -6.461 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.911 -2.525 -6.151 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.001 -1.942 -4.391 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.738 -2.002 -3.143 1.00 0.41 C ATOM 1776 C TYR A 120 -12.625 -3.381 -2.507 1.00 0.43 C ATOM 1777 O TYR A 120 -11.864 -4.241 -2.972 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.210 -1.614 -3.353 1.00 0.48 C ATOM 1779 CG TYR A 120 -15.006 -2.543 -4.249 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -14.971 -2.403 -5.632 1.00 0.63 C ATOM 1781 CD2 TYR A 120 -15.772 -3.573 -3.715 1.00 0.61 C ATOM 1782 CE1 TYR A 120 -15.679 -3.257 -6.455 1.00 0.73 C ATOM 1783 CE2 TYR A 120 -16.479 -4.434 -4.534 1.00 0.71 C ATOM 1784 CZ TYR A 120 -16.505 -4.223 -5.884 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.128 -5.129 -6.720 1.00 0.89 O ATOM 0 H TYR A 120 -12.543 -2.186 -5.220 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.294 -1.279 -2.458 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.699 -1.569 -2.380 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.247 -0.610 -3.775 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -14.380 -1.613 -6.070 1.00 0.63 H new ATOM 0 HD2 TYR A 120 -15.816 -3.703 -2.644 1.00 0.61 H new ATOM 0 HE1 TYR A 120 -15.593 -3.177 -7.529 1.00 0.73 H new ATOM 0 HE2 TYR A 120 -17.010 -5.272 -4.107 1.00 0.71 H new ATOM 0 HH TYR A 120 -17.672 -5.745 -6.187 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.369 -3.578 -1.436 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.308 -4.802 -0.667 1.00 0.40 C ATOM 1797 C TRP A 121 -14.721 -5.253 -0.272 1.00 0.48 C ATOM 1798 O TRP A 121 -15.626 -4.430 -0.113 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.420 -4.551 0.568 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.618 -5.522 1.684 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.695 -5.583 2.504 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.723 -6.545 2.127 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.553 -6.595 3.400 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.351 -7.196 3.200 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.463 -6.988 1.726 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.776 -8.252 3.867 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.894 -8.048 2.407 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.551 -8.666 3.461 1.00 0.51 C ATOM 0 H TRP A 121 -14.033 -2.892 -1.076 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.873 -5.607 -1.260 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.375 -4.580 0.260 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.614 -3.545 0.940 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.546 -4.921 2.453 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -14.238 -6.860 4.108 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.945 -6.515 0.905 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.284 -8.736 4.688 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.917 -8.402 2.112 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.077 -9.493 3.968 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.905 -6.561 -0.137 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.165 -7.131 0.316 1.00 0.73 C ATOM 1821 C ALA A 122 -15.930 -8.087 1.487 1.00 0.90 C ATOM 1822 O ALA A 122 -14.882 -8.738 1.561 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.855 -7.855 -0.830 1.00 0.94 C ATOM 0 H ALA A 122 -14.185 -7.255 -0.339 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.811 -6.322 0.657 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.797 -8.277 -0.479 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.052 -7.151 -1.639 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.212 -8.656 -1.194 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.909 -8.153 2.395 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.850 -9.023 3.577 1.00 0.97 C ATOM 1831 C LYS A 123 -15.814 -8.504 4.569 1.00 0.83 C ATOM 1832 O LYS A 123 -15.687 -7.293 4.754 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.527 -10.456 3.166 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.559 -11.478 3.609 1.00 1.83 C ATOM 1835 CD LYS A 123 -17.444 -11.790 5.091 1.00 1.97 C ATOM 1836 CE LYS A 123 -18.443 -12.855 5.512 1.00 2.89 C ATOM 1837 NZ LYS A 123 -18.194 -13.337 6.896 1.00 3.47 N ATOM 0 H LYS A 123 -17.767 -7.604 2.332 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.826 -9.015 4.063 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.433 -10.498 2.081 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.558 -10.732 3.581 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -18.559 -11.102 3.393 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -17.433 -12.395 3.034 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -16.433 -12.128 5.316 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -17.612 -10.882 5.670 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -19.453 -12.451 5.445 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -18.390 -13.696 4.820 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -18.897 -14.062 7.143 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -17.240 -13.746 6.955 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -18.270 -12.540 7.560 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.090 -9.410 5.221 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.022 -9.011 6.128 1.00 0.81 C ATOM 1853 C ASP A 124 -13.041 -10.154 6.370 1.00 0.71 C ATOM 1854 O ASP A 124 -13.448 -11.292 6.589 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.586 -8.512 7.465 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.288 -9.599 8.258 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.448 -9.930 7.926 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -14.682 -10.129 9.210 1.00 2.08 O ATOM 0 H ASP A 124 -15.223 -10.418 5.138 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.485 -8.192 5.650 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.774 -8.101 8.064 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.286 -7.699 7.276 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.743 -9.830 6.265 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.631 -10.747 6.575 1.00 0.73 C ATOM 1865 C ASN A 125 -10.520 -11.937 5.615 1.00 0.73 C ATOM 1866 O ASN A 125 -9.423 -12.431 5.364 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.744 -11.211 8.019 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.742 -12.286 8.395 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.596 -11.988 8.732 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -10.173 -13.540 8.373 1.00 2.40 N ATOM 0 H ASN A 125 -11.430 -8.909 5.958 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.707 -10.186 6.437 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.608 -10.354 8.678 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.751 -11.590 8.192 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -9.547 -14.299 8.642 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -11.130 -13.745 8.087 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.641 -12.379 5.067 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.662 -13.484 4.114 1.00 0.76 C ATOM 1879 C LYS A 126 -11.006 -13.079 2.792 1.00 0.76 C ATOM 1880 O LYS A 126 -10.892 -13.882 1.868 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.104 -13.941 3.889 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.969 -12.932 3.153 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.143 -13.324 1.696 1.00 0.88 C ATOM 1884 CE LYS A 126 -14.947 -12.292 0.931 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.347 -12.796 -0.410 1.00 1.96 N ATOM 0 H LYS A 126 -12.560 -11.985 5.268 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.088 -14.314 4.525 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.094 -14.874 3.325 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.560 -14.157 4.855 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.945 -12.865 3.634 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.514 -11.943 3.215 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.164 -13.441 1.231 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -14.642 -14.291 1.636 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.837 -12.027 1.501 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.358 -11.382 0.818 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -15.895 -12.065 -0.906 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.496 -13.025 -0.963 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -15.929 -13.651 -0.300 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.613 -11.811 2.720 1.00 0.63 N ATOM 1900 CA GLN A 127 -9.935 -11.245 1.561 1.00 0.64 C ATOM 1901 C GLN A 127 -10.879 -11.162 0.367 1.00 0.63 C ATOM 1902 O GLN A 127 -10.628 -11.748 -0.686 1.00 0.91 O ATOM 1903 CB GLN A 127 -8.673 -12.042 1.208 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.742 -11.308 0.255 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.509 -12.111 -0.108 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -5.485 -12.039 0.567 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.599 -12.884 -1.179 1.00 1.62 N ATOM 0 H GLN A 127 -10.759 -11.140 3.475 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.625 -10.233 1.820 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.132 -12.276 2.125 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -8.965 -12.991 0.759 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.287 -11.059 -0.656 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.434 -10.367 0.710 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.467 -12.916 -1.713 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -5.800 -13.447 -1.470 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.975 -10.431 0.540 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.888 -10.205 -0.555 1.00 0.50 C ATOM 1918 C GLY A 128 -12.508 -8.977 -1.342 1.00 0.45 C ATOM 1919 O GLY A 128 -13.338 -8.121 -1.623 1.00 0.77 O ATOM 0 H GLY A 128 -12.244 -9.993 1.421 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -12.892 -11.074 -1.213 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.901 -10.093 -0.169 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.241 -8.891 -1.691 1.00 0.61 N ATOM 1924 CA PHE A 129 -10.718 -7.714 -2.347 1.00 0.63 C ATOM 1925 C PHE A 129 -11.088 -7.733 -3.828 1.00 0.58 C ATOM 1926 O PHE A 129 -11.081 -8.784 -4.464 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.191 -7.662 -2.179 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.436 -8.631 -3.058 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.411 -9.985 -2.756 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -7.750 -8.191 -4.180 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -7.718 -10.877 -3.553 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.056 -9.078 -4.980 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.051 -10.410 -4.689 1.00 1.14 C ATOM 0 H PHE A 129 -10.553 -9.626 -1.530 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.154 -6.825 -1.891 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -8.848 -6.650 -2.395 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -8.945 -7.867 -1.137 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.940 -10.347 -1.887 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.758 -7.141 -4.432 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.692 -11.927 -3.300 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.514 -8.714 -5.841 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.533 -11.103 -5.335 1.00 1.14 H new ATOM 1943 N THR A 130 -11.429 -6.578 -4.368 1.00 0.61 N ATOM 1944 CA THR A 130 -11.715 -6.462 -5.788 1.00 0.63 C ATOM 1945 C THR A 130 -10.737 -5.489 -6.449 1.00 0.60 C ATOM 1946 O THR A 130 -10.393 -4.463 -5.861 1.00 0.67 O ATOM 1947 CB THR A 130 -13.162 -5.977 -6.006 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.070 -6.833 -5.302 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.524 -5.960 -7.484 1.00 0.90 C ATOM 0 H THR A 130 -11.515 -5.706 -3.846 1.00 0.61 H new ATOM 0 HA THR A 130 -11.599 -7.445 -6.244 1.00 0.63 H new ATOM 0 HB THR A 130 -13.238 -4.959 -5.624 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.833 -6.308 -4.982 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.551 -5.613 -7.603 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.850 -5.288 -8.016 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.431 -6.966 -7.893 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.225 -5.826 -7.644 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.417 -4.912 -8.450 1.00 0.65 C ATOM 1959 C PRO A 131 -10.297 -3.937 -9.233 1.00 0.63 C ATOM 1960 O PRO A 131 -11.018 -4.334 -10.149 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.657 -5.841 -9.412 1.00 0.80 C ATOM 1962 CG PRO A 131 -9.066 -7.239 -9.056 1.00 0.92 C ATOM 1963 CD PRO A 131 -10.357 -7.128 -8.299 1.00 0.75 C ATOM 0 HA PRO A 131 -8.757 -4.296 -7.839 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.906 -5.615 -10.449 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.580 -5.712 -9.307 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -9.193 -7.846 -9.953 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.301 -7.724 -8.449 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -11.221 -7.164 -8.962 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -10.476 -7.936 -7.577 1.00 0.75 H new ATOM 1971 N SER A 132 -10.252 -2.670 -8.859 1.00 0.55 N ATOM 1972 CA SER A 132 -11.080 -1.654 -9.494 1.00 0.57 C ATOM 1973 C SER A 132 -10.417 -0.285 -9.392 1.00 0.56 C ATOM 1974 O SER A 132 -10.339 0.300 -8.311 1.00 0.73 O ATOM 1975 CB SER A 132 -12.469 -1.609 -8.844 1.00 0.64 C ATOM 1976 OG SER A 132 -13.124 -2.866 -8.934 1.00 1.52 O ATOM 0 H SER A 132 -9.649 -2.317 -8.116 1.00 0.55 H new ATOM 0 HA SER A 132 -11.191 -1.915 -10.546 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.373 -1.321 -7.797 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.076 -0.845 -9.331 1.00 0.64 H new ATOM 0 HG SER A 132 -13.743 -2.967 -8.181 1.00 1.52 H new ATOM 1982 N GLY A 133 -9.929 0.216 -10.512 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.289 1.510 -10.519 1.00 0.57 C ATOM 1984 C GLY A 133 -8.031 1.512 -11.355 1.00 0.62 C ATOM 1985 O GLY A 133 -8.049 1.085 -12.510 1.00 1.17 O ATOM 0 H GLY A 133 -9.965 -0.251 -11.418 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -9.983 2.256 -10.906 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.046 1.800 -9.497 1.00 0.57 H new ATOM 1989 N THR A 134 -6.938 1.964 -10.769 1.00 0.62 N ATOM 1990 CA THR A 134 -5.682 2.058 -11.484 1.00 0.97 C ATOM 1991 C THR A 134 -4.590 1.298 -10.737 1.00 0.68 C ATOM 1992 O THR A 134 -4.589 1.250 -9.503 1.00 0.95 O ATOM 1993 CB THR A 134 -5.260 3.532 -11.652 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.378 4.310 -12.101 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.118 3.669 -12.650 1.00 2.47 C ATOM 0 H THR A 134 -6.896 2.272 -9.798 1.00 0.62 H new ATOM 0 HA THR A 134 -5.820 1.615 -12.470 1.00 0.97 H new ATOM 0 HB THR A 134 -4.918 3.896 -10.683 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.105 5.246 -12.204 1.00 2.38 H new ATOM 0 HG21 THR A 134 -3.843 4.719 -12.747 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.257 3.100 -12.299 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.435 3.286 -13.620 1.00 2.47 H new ATOM 2003 N THR A 135 -3.675 0.699 -11.480 1.00 0.72 N ATOM 2004 CA THR A 135 -2.551 0.011 -10.881 1.00 0.70 C ATOM 2005 C THR A 135 -1.379 0.977 -10.766 1.00 0.64 C ATOM 2006 O THR A 135 -0.634 1.189 -11.723 1.00 0.88 O ATOM 2007 CB THR A 135 -2.135 -1.215 -11.723 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.299 -1.976 -12.088 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.167 -2.105 -10.956 1.00 1.27 C ATOM 0 H THR A 135 -3.691 0.677 -12.500 1.00 0.72 H new ATOM 0 HA THR A 135 -2.845 -0.342 -9.892 1.00 0.70 H new ATOM 0 HB THR A 135 -1.635 -0.853 -12.621 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.029 -2.751 -12.623 1.00 1.82 H new ATOM 0 HG21 THR A 135 -0.892 -2.960 -11.573 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.272 -1.536 -10.704 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.643 -2.457 -10.041 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.244 1.582 -9.596 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.211 2.570 -9.386 1.00 0.58 C ATOM 2019 C GLY A 136 1.051 1.958 -8.836 1.00 0.45 C ATOM 2020 O GLY A 136 1.016 1.218 -7.852 1.00 0.67 O ATOM 0 H GLY A 136 -1.836 1.404 -8.785 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.010 3.070 -10.329 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.574 3.333 -8.698 1.00 0.58 H new ATOM 2024 N THR A 137 2.166 2.246 -9.471 1.00 0.38 N ATOM 2025 CA THR A 137 3.434 1.709 -9.036 1.00 0.33 C ATOM 2026 C THR A 137 4.142 2.704 -8.122 1.00 0.33 C ATOM 2027 O THR A 137 4.655 3.728 -8.578 1.00 0.39 O ATOM 2028 CB THR A 137 4.330 1.388 -10.240 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.515 1.097 -11.384 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.225 0.201 -9.944 1.00 0.50 C ATOM 0 H THR A 137 2.219 2.850 -10.291 1.00 0.38 H new ATOM 0 HA THR A 137 3.242 0.788 -8.486 1.00 0.33 H new ATOM 0 HB THR A 137 4.957 2.256 -10.444 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.201 1.935 -11.784 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.851 -0.008 -10.812 1.00 0.50 H new ATOM 0 HG22 THR A 137 5.858 0.428 -9.086 1.00 0.50 H new ATOM 0 HG23 THR A 137 4.611 -0.671 -9.721 1.00 0.50 H new ATOM 2038 N THR A 138 4.146 2.417 -6.832 1.00 0.32 N ATOM 2039 CA THR A 138 4.831 3.266 -5.881 1.00 0.36 C ATOM 2040 C THR A 138 6.323 2.974 -5.947 1.00 0.37 C ATOM 2041 O THR A 138 6.777 1.901 -5.547 1.00 0.38 O ATOM 2042 CB THR A 138 4.314 3.041 -4.451 1.00 0.39 C ATOM 2043 OG1 THR A 138 2.883 3.110 -4.441 1.00 0.40 O ATOM 2044 CG2 THR A 138 4.877 4.086 -3.500 1.00 0.52 C ATOM 0 H THR A 138 3.684 1.605 -6.423 1.00 0.32 H new ATOM 0 HA THR A 138 4.639 4.307 -6.140 1.00 0.36 H new ATOM 0 HB THR A 138 4.641 2.056 -4.118 1.00 0.39 H new ATOM 0 HG1 THR A 138 2.555 2.965 -3.529 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.497 3.906 -2.495 1.00 0.52 H new ATOM 0 HG22 THR A 138 5.965 4.023 -3.493 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.573 5.079 -3.830 1.00 0.52 H new ATOM 2052 N LYS A 139 7.080 3.905 -6.488 1.00 0.41 N ATOM 2053 CA LYS A 139 8.493 3.679 -6.700 1.00 0.44 C ATOM 2054 C LYS A 139 9.310 4.407 -5.654 1.00 0.44 C ATOM 2055 O LYS A 139 9.406 5.633 -5.651 1.00 0.49 O ATOM 2056 CB LYS A 139 8.888 4.113 -8.112 1.00 0.53 C ATOM 2057 CG LYS A 139 10.292 3.697 -8.513 1.00 0.59 C ATOM 2058 CD LYS A 139 10.588 4.007 -9.977 1.00 1.21 C ATOM 2059 CE LYS A 139 9.651 3.270 -10.932 1.00 1.33 C ATOM 2060 NZ LYS A 139 8.431 4.062 -11.257 1.00 2.18 N ATOM 0 H LYS A 139 6.743 4.820 -6.787 1.00 0.41 H new ATOM 0 HA LYS A 139 8.700 2.613 -6.601 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.178 3.692 -8.823 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.806 5.198 -8.184 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.016 4.211 -7.881 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.417 2.629 -8.337 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.499 5.081 -10.143 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.619 3.734 -10.202 1.00 1.21 H new ATOM 0 HE2 LYS A 139 10.185 3.037 -11.853 1.00 1.33 H new ATOM 0 HE3 LYS A 139 9.356 2.320 -10.486 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 7.585 3.477 -11.100 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 8.389 4.902 -10.645 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 8.466 4.360 -12.253 1.00 2.18 H new ATOM 2074 N LEU A 140 9.888 3.626 -4.770 1.00 0.45 N ATOM 2075 CA LEU A 140 10.731 4.135 -3.717 1.00 0.44 C ATOM 2076 C LEU A 140 12.191 3.938 -4.108 1.00 0.39 C ATOM 2077 O LEU A 140 12.757 2.854 -3.960 1.00 0.40 O ATOM 2078 CB LEU A 140 10.394 3.432 -2.395 1.00 0.46 C ATOM 2079 CG LEU A 140 11.466 3.512 -1.308 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.800 4.960 -0.971 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.014 2.772 -0.062 1.00 0.62 C ATOM 0 H LEU A 140 9.784 2.611 -4.763 1.00 0.45 H new ATOM 0 HA LEU A 140 10.557 5.202 -3.575 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.472 3.860 -2.002 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.193 2.381 -2.605 1.00 0.46 H new ATOM 0 HG LEU A 140 12.369 3.037 -1.691 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.565 4.986 -0.195 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.171 5.465 -1.863 1.00 0.63 H new ATOM 0 HD13 LEU A 140 10.903 5.466 -0.613 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.789 2.839 0.702 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.094 3.220 0.314 1.00 0.62 H new ATOM 0 HD23 LEU A 140 10.834 1.725 -0.306 1.00 0.62 H new ATOM 2093 N THR A 141 12.782 4.983 -4.642 1.00 0.39 N ATOM 2094 CA THR A 141 14.147 4.923 -5.110 1.00 0.38 C ATOM 2095 C THR A 141 15.076 5.478 -4.053 1.00 0.34 C ATOM 2096 O THR A 141 14.916 6.607 -3.609 1.00 0.40 O ATOM 2097 CB THR A 141 14.312 5.713 -6.420 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.313 5.296 -7.357 1.00 0.58 O ATOM 2099 CG2 THR A 141 15.695 5.496 -7.014 1.00 0.54 C ATOM 0 H THR A 141 12.334 5.891 -4.763 1.00 0.39 H new ATOM 0 HA THR A 141 14.400 3.881 -5.304 1.00 0.38 H new ATOM 0 HB THR A 141 14.195 6.775 -6.203 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.416 5.800 -8.191 1.00 0.58 H new ATOM 0 HG21 THR A 141 15.787 6.065 -7.939 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.452 5.831 -6.305 1.00 0.54 H new ATOM 0 HG23 THR A 141 15.839 4.436 -7.224 1.00 0.54 H new ATOM 2107 N VAL A 142 16.024 4.671 -3.625 1.00 0.44 N ATOM 2108 CA VAL A 142 16.940 5.080 -2.601 1.00 0.57 C ATOM 2109 C VAL A 142 17.984 6.055 -3.147 1.00 0.77 C ATOM 2110 O VAL A 142 18.781 5.721 -4.027 1.00 1.10 O ATOM 2111 CB VAL A 142 17.593 3.847 -1.969 1.00 0.80 C ATOM 2112 CG1 VAL A 142 16.526 2.998 -1.300 1.00 1.69 C ATOM 2113 CG2 VAL A 142 18.368 3.032 -2.995 1.00 1.74 C ATOM 0 H VAL A 142 16.174 3.726 -3.977 1.00 0.44 H new ATOM 0 HA VAL A 142 16.388 5.612 -1.827 1.00 0.57 H new ATOM 0 HB VAL A 142 18.311 4.182 -1.221 1.00 0.80 H new ATOM 0 HG11 VAL A 142 16.989 2.120 -0.850 1.00 1.69 H new ATOM 0 HG12 VAL A 142 16.028 3.583 -0.526 1.00 1.69 H new ATOM 0 HG13 VAL A 142 15.794 2.681 -2.043 1.00 1.69 H new ATOM 0 HG21 VAL A 142 18.816 2.166 -2.508 1.00 1.74 H new ATOM 0 HG22 VAL A 142 17.690 2.697 -3.780 1.00 1.74 H new ATOM 0 HG23 VAL A 142 19.153 3.649 -3.432 1.00 1.74 H new ATOM 2123 N THR A 143 17.936 7.281 -2.654 1.00 0.85 N ATOM 2124 CA THR A 143 18.849 8.321 -3.089 1.00 1.18 C ATOM 2125 C THR A 143 19.082 9.312 -1.955 1.00 1.82 C ATOM 2126 O THR A 143 20.185 9.296 -1.373 1.00 2.22 O ATOM 2127 CB THR A 143 18.307 9.062 -4.330 1.00 1.54 C ATOM 2128 OG1 THR A 143 17.999 8.117 -5.366 1.00 2.04 O ATOM 2129 CG2 THR A 143 19.324 10.069 -4.849 1.00 1.94 C ATOM 2130 OXT THR A 143 18.149 10.072 -1.629 1.00 2.58 O ATOM 0 H THR A 143 17.267 7.581 -1.945 1.00 0.85 H new ATOM 0 HA THR A 143 19.793 7.850 -3.363 1.00 1.18 H new ATOM 0 HB THR A 143 17.403 9.598 -4.040 1.00 1.54 H new ATOM 0 HG1 THR A 143 17.654 8.592 -6.150 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.919 10.578 -5.723 1.00 1.94 H new ATOM 0 HG22 THR A 143 19.541 10.801 -4.071 1.00 1.94 H new ATOM 0 HG23 THR A 143 20.242 9.550 -5.125 1.00 1.94 H new TER 2138 THR A 143