USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -151:sc= 0.221 (180deg=-0.0659) USER MOD Set 2.2: A 72 TYR OH : rot 120:sc= -0.891 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0686 K(o=-0.069,f=-1.4) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0.105 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -150:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.119 (180deg=0.00721) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -35:sc= 0.497 USER MOD Single : A 34 GLN : amide:sc= -2.77 K(o=-2.8,f=-7.9!) USER MOD Single : A 37 THR OG1 : rot -149:sc= -0.82 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.41) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -119:sc= 0.00498 USER MOD Single : A 60 TYR OH : rot -59:sc= -1.64! USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.56) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.332 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.469 6.650 5.484 1.00 0.75 N ATOM 2 CA MET A 1 9.571 5.456 5.464 1.00 0.49 C ATOM 3 C MET A 1 8.217 5.818 6.086 1.00 0.43 C ATOM 4 O MET A 1 8.149 6.457 7.123 1.00 0.58 O ATOM 5 CB MET A 1 10.214 4.315 6.262 1.00 0.65 C ATOM 6 CG MET A 1 9.862 2.971 5.614 1.00 0.75 C ATOM 7 SD MET A 1 10.179 1.633 6.794 1.00 1.49 S ATOM 8 CE MET A 1 10.819 0.425 5.606 1.00 1.94 C ATOM 0 H1 MET A 1 11.386 6.402 5.062 1.00 0.75 H new ATOM 0 H2 MET A 1 10.034 7.421 4.938 1.00 0.75 H new ATOM 0 H3 MET A 1 10.613 6.960 6.466 1.00 0.75 H new ATOM 0 HA MET A 1 9.420 5.136 4.433 1.00 0.49 H new ATOM 0 HB2 MET A 1 11.296 4.443 6.292 1.00 0.65 H new ATOM 0 HB3 MET A 1 9.862 4.336 7.293 1.00 0.65 H new ATOM 0 HG2 MET A 1 8.815 2.964 5.312 1.00 0.75 H new ATOM 0 HG3 MET A 1 10.455 2.823 4.712 1.00 0.75 H new ATOM 0 HE1 MET A 1 11.082 -0.495 6.128 1.00 1.94 H new ATOM 0 HE2 MET A 1 10.056 0.212 4.857 1.00 1.94 H new ATOM 0 HE3 MET A 1 11.704 0.830 5.116 1.00 1.94 H new ATOM 18 N ILE A 2 7.141 5.408 5.456 1.00 0.31 N ATOM 19 CA ILE A 2 5.779 5.714 5.995 1.00 0.28 C ATOM 20 C ILE A 2 4.960 4.420 6.102 1.00 0.25 C ATOM 21 O ILE A 2 5.287 3.415 5.496 1.00 0.29 O ATOM 22 CB ILE A 2 5.059 6.702 5.065 1.00 0.28 C ATOM 23 CG1 ILE A 2 4.949 6.113 3.652 1.00 0.32 C ATOM 24 CG2 ILE A 2 5.841 8.017 5.004 1.00 0.33 C ATOM 25 CD1 ILE A 2 3.829 6.823 2.887 1.00 0.42 C ATOM 0 H ILE A 2 7.149 4.872 4.588 1.00 0.31 H new ATOM 0 HA ILE A 2 5.881 6.160 6.984 1.00 0.28 H new ATOM 0 HB ILE A 2 4.059 6.887 5.456 1.00 0.28 H new ATOM 0 HG12 ILE A 2 5.895 6.230 3.123 1.00 0.32 H new ATOM 0 HG13 ILE A 2 4.745 5.044 3.707 1.00 0.32 H new ATOM 0 HG21 ILE A 2 5.327 8.715 4.343 1.00 0.33 H new ATOM 0 HG22 ILE A 2 5.909 8.446 6.004 1.00 0.33 H new ATOM 0 HG23 ILE A 2 6.844 7.827 4.622 1.00 0.33 H new ATOM 0 HD11 ILE A 2 3.752 6.404 1.884 1.00 0.42 H new ATOM 0 HD12 ILE A 2 2.884 6.683 3.412 1.00 0.42 H new ATOM 0 HD13 ILE A 2 4.053 7.888 2.819 1.00 0.42 H new ATOM 37 N GLU A 3 3.897 4.447 6.868 1.00 0.26 N ATOM 38 CA GLU A 3 3.039 3.233 7.026 1.00 0.27 C ATOM 39 C GLU A 3 1.673 3.505 6.387 1.00 0.27 C ATOM 40 O GLU A 3 0.905 4.315 6.871 1.00 0.37 O ATOM 41 CB GLU A 3 2.866 2.926 8.519 1.00 0.36 C ATOM 42 CG GLU A 3 2.947 1.413 8.749 1.00 0.54 C ATOM 43 CD GLU A 3 1.653 0.748 8.269 1.00 0.71 C ATOM 44 OE1 GLU A 3 0.682 0.787 9.007 1.00 0.96 O ATOM 45 OE2 GLU A 3 1.655 0.211 7.174 1.00 1.01 O ATOM 0 H GLU A 3 3.585 5.264 7.394 1.00 0.26 H new ATOM 0 HA GLU A 3 3.505 2.377 6.538 1.00 0.27 H new ATOM 0 HB2 GLU A 3 3.639 3.433 9.096 1.00 0.36 H new ATOM 0 HB3 GLU A 3 1.906 3.306 8.869 1.00 0.36 H new ATOM 0 HG2 GLU A 3 3.801 0.999 8.212 1.00 0.54 H new ATOM 0 HG3 GLU A 3 3.104 1.204 9.807 1.00 0.54 H new ATOM 52 N VAL A 4 1.372 2.842 5.295 1.00 0.25 N ATOM 53 CA VAL A 4 0.060 3.070 4.605 1.00 0.27 C ATOM 54 C VAL A 4 -0.867 1.863 4.811 1.00 0.27 C ATOM 55 O VAL A 4 -0.424 0.767 5.110 1.00 0.39 O ATOM 56 CB VAL A 4 0.300 3.286 3.102 1.00 0.30 C ATOM 57 CG1 VAL A 4 1.205 4.505 2.892 1.00 0.41 C ATOM 58 CG2 VAL A 4 0.972 2.050 2.498 1.00 0.37 C ATOM 0 H VAL A 4 1.978 2.152 4.851 1.00 0.25 H new ATOM 0 HA VAL A 4 -0.414 3.955 5.030 1.00 0.27 H new ATOM 0 HB VAL A 4 -0.659 3.453 2.612 1.00 0.30 H new ATOM 0 HG11 VAL A 4 1.372 4.654 1.825 1.00 0.41 H new ATOM 0 HG12 VAL A 4 0.727 5.390 3.312 1.00 0.41 H new ATOM 0 HG13 VAL A 4 2.160 4.339 3.389 1.00 0.41 H new ATOM 0 HG21 VAL A 4 1.139 2.211 1.433 1.00 0.37 H new ATOM 0 HG22 VAL A 4 1.928 1.877 2.993 1.00 0.37 H new ATOM 0 HG23 VAL A 4 0.329 1.181 2.638 1.00 0.37 H new ATOM 68 N VAL A 5 -2.155 2.064 4.644 1.00 0.25 N ATOM 69 CA VAL A 5 -3.132 0.945 4.819 1.00 0.26 C ATOM 70 C VAL A 5 -3.783 0.630 3.466 1.00 0.27 C ATOM 71 O VAL A 5 -4.227 1.521 2.763 1.00 0.40 O ATOM 72 CB VAL A 5 -4.218 1.352 5.827 1.00 0.32 C ATOM 73 CG1 VAL A 5 -5.047 0.124 6.214 1.00 0.41 C ATOM 74 CG2 VAL A 5 -3.571 1.943 7.086 1.00 0.38 C ATOM 0 H VAL A 5 -2.571 2.961 4.393 1.00 0.25 H new ATOM 0 HA VAL A 5 -2.611 0.064 5.193 1.00 0.26 H new ATOM 0 HB VAL A 5 -4.863 2.101 5.368 1.00 0.32 H new ATOM 0 HG11 VAL A 5 -5.817 0.415 6.929 1.00 0.41 H new ATOM 0 HG12 VAL A 5 -5.518 -0.292 5.324 1.00 0.41 H new ATOM 0 HG13 VAL A 5 -4.397 -0.626 6.665 1.00 0.41 H new ATOM 0 HG21 VAL A 5 -4.348 2.229 7.795 1.00 0.38 H new ATOM 0 HG22 VAL A 5 -2.919 1.199 7.543 1.00 0.38 H new ATOM 0 HG23 VAL A 5 -2.986 2.822 6.816 1.00 0.38 H new ATOM 84 N VAL A 6 -3.846 -0.629 3.100 1.00 0.28 N ATOM 85 CA VAL A 6 -4.473 -1.008 1.793 1.00 0.30 C ATOM 86 C VAL A 6 -5.746 -1.822 2.047 1.00 0.29 C ATOM 87 O VAL A 6 -5.785 -2.682 2.911 1.00 0.39 O ATOM 88 CB VAL A 6 -3.484 -1.834 0.950 1.00 0.38 C ATOM 89 CG1 VAL A 6 -2.257 -0.983 0.620 1.00 0.42 C ATOM 90 CG2 VAL A 6 -3.043 -3.084 1.722 1.00 0.48 C ATOM 0 H VAL A 6 -3.490 -1.411 3.650 1.00 0.28 H new ATOM 0 HA VAL A 6 -4.729 -0.100 1.246 1.00 0.30 H new ATOM 0 HB VAL A 6 -3.978 -2.141 0.028 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -1.558 -1.569 0.023 1.00 0.42 H new ATOM 0 HG12 VAL A 6 -2.566 -0.102 0.057 1.00 0.42 H new ATOM 0 HG13 VAL A 6 -1.772 -0.670 1.545 1.00 0.42 H new ATOM 0 HG21 VAL A 6 -2.344 -3.659 1.115 1.00 0.48 H new ATOM 0 HG22 VAL A 6 -2.556 -2.785 2.651 1.00 0.48 H new ATOM 0 HG23 VAL A 6 -3.915 -3.697 1.950 1.00 0.48 H new ATOM 100 N ASN A 7 -6.788 -1.550 1.297 1.00 0.27 N ATOM 101 CA ASN A 7 -8.074 -2.295 1.478 1.00 0.27 C ATOM 102 C ASN A 7 -8.510 -2.897 0.138 1.00 0.28 C ATOM 103 O ASN A 7 -8.673 -2.195 -0.843 1.00 0.32 O ATOM 104 CB ASN A 7 -9.168 -1.347 1.999 1.00 0.30 C ATOM 105 CG ASN A 7 -9.027 0.040 1.358 1.00 0.34 C ATOM 106 OD1 ASN A 7 -9.523 0.275 0.274 1.00 0.45 O ATOM 107 ND2 ASN A 7 -8.367 0.975 1.989 1.00 0.41 N ATOM 0 H ASN A 7 -6.802 -0.841 0.564 1.00 0.27 H new ATOM 0 HA ASN A 7 -7.923 -3.093 2.205 1.00 0.27 H new ATOM 0 HB2 ASN A 7 -10.152 -1.759 1.775 1.00 0.30 H new ATOM 0 HB3 ASN A 7 -9.098 -1.262 3.083 1.00 0.30 H new ATOM 0 HD21 ASN A 7 -8.269 1.900 1.571 1.00 0.41 H new ATOM 0 HD22 ASN A 7 -7.950 0.779 2.899 1.00 0.41 H new ATOM 114 N ASP A 8 -8.698 -4.195 0.094 1.00 0.30 N ATOM 115 CA ASP A 8 -9.125 -4.857 -1.176 1.00 0.32 C ATOM 116 C ASP A 8 -10.656 -4.850 -1.273 1.00 0.31 C ATOM 117 O ASP A 8 -11.352 -4.921 -0.275 1.00 0.34 O ATOM 118 CB ASP A 8 -8.612 -6.302 -1.202 1.00 0.40 C ATOM 119 CG ASP A 8 -8.564 -6.810 -2.649 1.00 0.45 C ATOM 120 OD1 ASP A 8 -7.571 -6.562 -3.313 1.00 0.44 O ATOM 121 OD2 ASP A 8 -9.522 -7.440 -3.067 1.00 0.62 O ATOM 0 H ASP A 8 -8.573 -4.825 0.887 1.00 0.30 H new ATOM 0 HA ASP A 8 -8.709 -4.312 -2.024 1.00 0.32 H new ATOM 0 HB2 ASP A 8 -7.619 -6.353 -0.756 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -9.263 -6.940 -0.604 1.00 0.40 H new ATOM 126 N ARG A 9 -11.179 -4.766 -2.475 1.00 0.41 N ATOM 127 CA ARG A 9 -12.665 -4.753 -2.661 1.00 0.44 C ATOM 128 C ARG A 9 -13.260 -6.103 -2.237 1.00 0.43 C ATOM 129 O ARG A 9 -14.331 -6.156 -1.659 1.00 0.47 O ATOM 130 CB ARG A 9 -13.000 -4.488 -4.132 1.00 0.58 C ATOM 131 CG ARG A 9 -12.524 -3.087 -4.529 1.00 0.65 C ATOM 132 CD ARG A 9 -13.414 -2.029 -3.870 1.00 0.71 C ATOM 133 NE ARG A 9 -12.593 -0.834 -3.517 1.00 0.79 N ATOM 134 CZ ARG A 9 -11.810 -0.861 -2.471 1.00 0.86 C ATOM 135 NH1 ARG A 9 -12.315 -0.729 -1.273 1.00 1.14 N ATOM 136 NH2 ARG A 9 -10.522 -1.016 -2.626 1.00 1.24 N ATOM 0 H ARG A 9 -10.638 -4.706 -3.337 1.00 0.41 H new ATOM 0 HA ARG A 9 -13.091 -3.963 -2.043 1.00 0.44 H new ATOM 0 HB2 ARG A 9 -12.522 -5.237 -4.764 1.00 0.58 H new ATOM 0 HB3 ARG A 9 -14.075 -4.575 -4.291 1.00 0.58 H new ATOM 0 HG2 ARG A 9 -11.488 -2.945 -4.223 1.00 0.65 H new ATOM 0 HG3 ARG A 9 -12.554 -2.977 -5.613 1.00 0.65 H new ATOM 0 HD2 ARG A 9 -14.219 -1.743 -4.547 1.00 0.71 H new ATOM 0 HD3 ARG A 9 -13.882 -2.439 -2.975 1.00 0.71 H new ATOM 0 HE ARG A 9 -12.643 0.006 -4.093 1.00 0.79 H new ATOM 0 HH11 ARG A 9 -13.320 -0.605 -1.154 1.00 1.14 H new ATOM 0 HH12 ARG A 9 -11.704 -0.750 -0.457 1.00 1.14 H new ATOM 0 HH21 ARG A 9 -10.129 -1.116 -3.562 1.00 1.24 H new ATOM 0 HH22 ARG A 9 -9.909 -1.037 -1.811 1.00 1.24 H new ATOM 150 N LEU A 10 -12.573 -7.190 -2.516 1.00 0.46 N ATOM 151 CA LEU A 10 -13.093 -8.539 -2.126 1.00 0.51 C ATOM 152 C LEU A 10 -13.233 -8.610 -0.599 1.00 0.47 C ATOM 153 O LEU A 10 -14.258 -9.019 -0.085 1.00 0.59 O ATOM 154 CB LEU A 10 -12.119 -9.624 -2.604 1.00 0.60 C ATOM 155 CG LEU A 10 -12.612 -10.207 -3.933 1.00 0.80 C ATOM 156 CD1 LEU A 10 -11.530 -10.046 -5.002 1.00 1.19 C ATOM 157 CD2 LEU A 10 -12.924 -11.694 -3.753 1.00 1.21 C ATOM 0 H LEU A 10 -11.674 -7.198 -2.998 1.00 0.46 H new ATOM 0 HA LEU A 10 -14.067 -8.700 -2.588 1.00 0.51 H new ATOM 0 HB2 LEU A 10 -11.121 -9.203 -2.728 1.00 0.60 H new ATOM 0 HB3 LEU A 10 -12.041 -10.413 -1.856 1.00 0.60 H new ATOM 0 HG LEU A 10 -13.512 -9.677 -4.245 1.00 0.80 H new ATOM 0 HD11 LEU A 10 -11.885 -10.462 -5.945 1.00 1.19 H new ATOM 0 HD12 LEU A 10 -11.304 -8.988 -5.134 1.00 1.19 H new ATOM 0 HD13 LEU A 10 -10.629 -10.573 -4.690 1.00 1.19 H new ATOM 0 HD21 LEU A 10 -13.275 -12.109 -4.698 1.00 1.21 H new ATOM 0 HD22 LEU A 10 -12.022 -12.219 -3.438 1.00 1.21 H new ATOM 0 HD23 LEU A 10 -13.698 -11.814 -2.995 1.00 1.21 H new ATOM 169 N GLY A 11 -12.212 -8.208 0.128 1.00 0.46 N ATOM 170 CA GLY A 11 -12.282 -8.243 1.622 1.00 0.47 C ATOM 171 C GLY A 11 -10.902 -8.564 2.204 1.00 0.47 C ATOM 172 O GLY A 11 -10.727 -9.560 2.884 1.00 0.62 O ATOM 0 H GLY A 11 -11.333 -7.857 -0.253 1.00 0.46 H new ATOM 0 HA2 GLY A 11 -12.631 -7.282 2.000 1.00 0.47 H new ATOM 0 HA3 GLY A 11 -13.005 -8.993 1.943 1.00 0.47 H new ATOM 176 N LYS A 12 -9.923 -7.726 1.947 1.00 0.39 N ATOM 177 CA LYS A 12 -8.551 -7.971 2.487 1.00 0.41 C ATOM 178 C LYS A 12 -7.922 -6.638 2.913 1.00 0.38 C ATOM 179 O LYS A 12 -7.427 -5.883 2.094 1.00 0.41 O ATOM 180 CB LYS A 12 -7.685 -8.632 1.406 1.00 0.45 C ATOM 181 CG LYS A 12 -7.316 -10.057 1.835 1.00 0.81 C ATOM 182 CD LYS A 12 -5.858 -10.345 1.452 1.00 0.70 C ATOM 183 CE LYS A 12 -5.707 -11.807 1.011 1.00 0.90 C ATOM 184 NZ LYS A 12 -4.826 -11.881 -0.195 1.00 0.90 N ATOM 0 H LYS A 12 -10.019 -6.881 1.384 1.00 0.39 H new ATOM 0 HA LYS A 12 -8.613 -8.632 3.352 1.00 0.41 H new ATOM 0 HB2 LYS A 12 -8.224 -8.656 0.459 1.00 0.45 H new ATOM 0 HB3 LYS A 12 -6.781 -8.046 1.243 1.00 0.45 H new ATOM 0 HG2 LYS A 12 -7.450 -10.171 2.911 1.00 0.81 H new ATOM 0 HG3 LYS A 12 -7.979 -10.776 1.354 1.00 0.81 H new ATOM 0 HD2 LYS A 12 -5.548 -9.680 0.646 1.00 0.70 H new ATOM 0 HD3 LYS A 12 -5.204 -10.144 2.301 1.00 0.70 H new ATOM 0 HE2 LYS A 12 -5.281 -12.399 1.821 1.00 0.90 H new ATOM 0 HE3 LYS A 12 -6.685 -12.232 0.785 1.00 0.90 H new ATOM 0 HZ1 LYS A 12 -5.093 -12.705 -0.770 1.00 0.90 H new ATOM 0 HZ2 LYS A 12 -4.936 -11.014 -0.759 1.00 0.90 H new ATOM 0 HZ3 LYS A 12 -3.835 -11.975 0.105 1.00 0.90 H new ATOM 198 N LYS A 13 -7.936 -6.349 4.194 1.00 0.38 N ATOM 199 CA LYS A 13 -7.340 -5.073 4.697 1.00 0.38 C ATOM 200 C LYS A 13 -5.987 -5.381 5.359 1.00 0.39 C ATOM 201 O LYS A 13 -5.918 -6.122 6.325 1.00 0.52 O ATOM 202 CB LYS A 13 -8.293 -4.433 5.718 1.00 0.42 C ATOM 203 CG LYS A 13 -9.215 -3.428 5.011 1.00 0.47 C ATOM 204 CD LYS A 13 -10.664 -3.934 5.048 1.00 0.57 C ATOM 205 CE LYS A 13 -11.338 -3.670 3.696 1.00 0.60 C ATOM 206 NZ LYS A 13 -11.527 -4.958 2.967 1.00 1.03 N ATOM 0 H LYS A 13 -8.338 -6.948 4.915 1.00 0.38 H new ATOM 0 HA LYS A 13 -7.189 -4.379 3.870 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -8.888 -5.204 6.207 1.00 0.42 H new ATOM 0 HB3 LYS A 13 -7.721 -3.930 6.497 1.00 0.42 H new ATOM 0 HG2 LYS A 13 -9.148 -2.455 5.497 1.00 0.47 H new ATOM 0 HG3 LYS A 13 -8.894 -3.291 3.978 1.00 0.47 H new ATOM 0 HD2 LYS A 13 -10.681 -5.001 5.272 1.00 0.57 H new ATOM 0 HD3 LYS A 13 -11.214 -3.432 5.844 1.00 0.57 H new ATOM 0 HE2 LYS A 13 -12.301 -3.183 3.848 1.00 0.60 H new ATOM 0 HE3 LYS A 13 -10.727 -2.991 3.101 1.00 0.60 H new ATOM 0 HZ1 LYS A 13 -11.522 -4.781 1.942 1.00 1.03 H new ATOM 0 HZ2 LYS A 13 -10.754 -5.611 3.209 1.00 1.03 H new ATOM 0 HZ3 LYS A 13 -12.436 -5.382 3.241 1.00 1.03 H new ATOM 220 N VAL A 14 -4.915 -4.826 4.838 1.00 0.35 N ATOM 221 CA VAL A 14 -3.554 -5.087 5.421 1.00 0.37 C ATOM 222 C VAL A 14 -2.753 -3.774 5.493 1.00 0.34 C ATOM 223 O VAL A 14 -3.188 -2.741 5.013 1.00 0.37 O ATOM 224 CB VAL A 14 -2.777 -6.128 4.579 1.00 0.43 C ATOM 225 CG1 VAL A 14 -2.647 -7.427 5.378 1.00 0.76 C ATOM 226 CG2 VAL A 14 -3.490 -6.434 3.249 1.00 0.75 C ATOM 0 H VAL A 14 -4.923 -4.201 4.032 1.00 0.35 H new ATOM 0 HA VAL A 14 -3.687 -5.489 6.426 1.00 0.37 H new ATOM 0 HB VAL A 14 -1.796 -5.710 4.354 1.00 0.43 H new ATOM 0 HG11 VAL A 14 -2.100 -8.163 4.789 1.00 0.76 H new ATOM 0 HG12 VAL A 14 -2.108 -7.232 6.305 1.00 0.76 H new ATOM 0 HG13 VAL A 14 -3.640 -7.812 5.610 1.00 0.76 H new ATOM 0 HG21 VAL A 14 -2.913 -7.169 2.687 1.00 0.75 H new ATOM 0 HG22 VAL A 14 -4.484 -6.832 3.452 1.00 0.75 H new ATOM 0 HG23 VAL A 14 -3.578 -5.518 2.664 1.00 0.75 H new ATOM 236 N ARG A 15 -1.591 -3.810 6.111 1.00 0.31 N ATOM 237 CA ARG A 15 -0.752 -2.575 6.242 1.00 0.30 C ATOM 238 C ARG A 15 0.670 -2.844 5.725 1.00 0.27 C ATOM 239 O ARG A 15 1.268 -3.862 6.030 1.00 0.32 O ATOM 240 CB ARG A 15 -0.687 -2.166 7.719 1.00 0.35 C ATOM 241 CG ARG A 15 -1.804 -1.166 8.032 1.00 0.54 C ATOM 242 CD ARG A 15 -1.875 -0.934 9.547 1.00 0.79 C ATOM 243 NE ARG A 15 -3.301 -0.801 9.972 1.00 1.58 N ATOM 244 CZ ARG A 15 -3.673 -1.194 11.166 1.00 2.41 C ATOM 245 NH1 ARG A 15 -3.278 -0.536 12.227 1.00 3.01 N ATOM 246 NH2 ARG A 15 -4.446 -2.242 11.290 1.00 3.13 N ATOM 0 H ARG A 15 -1.188 -4.647 6.531 1.00 0.31 H new ATOM 0 HA ARG A 15 -1.198 -1.774 5.652 1.00 0.30 H new ATOM 0 HB2 ARG A 15 -0.787 -3.046 8.354 1.00 0.35 H new ATOM 0 HB3 ARG A 15 0.283 -1.722 7.940 1.00 0.35 H new ATOM 0 HG2 ARG A 15 -1.617 -0.223 7.518 1.00 0.54 H new ATOM 0 HG3 ARG A 15 -2.758 -1.545 7.666 1.00 0.54 H new ATOM 0 HD2 ARG A 15 -1.405 -1.764 10.074 1.00 0.79 H new ATOM 0 HD3 ARG A 15 -1.321 -0.034 9.813 1.00 0.79 H new ATOM 0 HE ARG A 15 -3.987 -0.403 9.331 1.00 1.58 H new ATOM 0 HH11 ARG A 15 -2.680 0.284 12.125 1.00 3.01 H new ATOM 0 HH12 ARG A 15 -3.569 -0.843 13.155 1.00 3.01 H new ATOM 0 HH21 ARG A 15 -4.756 -2.748 10.460 1.00 3.13 H new ATOM 0 HH22 ARG A 15 -4.739 -2.553 12.216 1.00 3.13 H new ATOM 260 N VAL A 16 1.211 -1.932 4.948 1.00 0.27 N ATOM 261 CA VAL A 16 2.592 -2.109 4.401 1.00 0.27 C ATOM 262 C VAL A 16 3.353 -0.777 4.499 1.00 0.25 C ATOM 263 O VAL A 16 2.831 0.274 4.170 1.00 0.31 O ATOM 264 CB VAL A 16 2.502 -2.567 2.935 1.00 0.33 C ATOM 265 CG1 VAL A 16 1.787 -1.505 2.092 1.00 0.40 C ATOM 266 CG2 VAL A 16 3.908 -2.803 2.374 1.00 0.40 C ATOM 0 H VAL A 16 0.749 -1.067 4.669 1.00 0.27 H new ATOM 0 HA VAL A 16 3.127 -2.864 4.976 1.00 0.27 H new ATOM 0 HB VAL A 16 1.935 -3.497 2.894 1.00 0.33 H new ATOM 0 HG11 VAL A 16 1.729 -1.841 1.057 1.00 0.40 H new ATOM 0 HG12 VAL A 16 0.780 -1.350 2.480 1.00 0.40 H new ATOM 0 HG13 VAL A 16 2.342 -0.568 2.140 1.00 0.40 H new ATOM 0 HG21 VAL A 16 3.836 -3.127 1.336 1.00 0.40 H new ATOM 0 HG22 VAL A 16 4.481 -1.877 2.426 1.00 0.40 H new ATOM 0 HG23 VAL A 16 4.409 -3.573 2.960 1.00 0.40 H new ATOM 276 N LYS A 17 4.581 -0.813 4.962 1.00 0.27 N ATOM 277 CA LYS A 17 5.376 0.448 5.094 1.00 0.27 C ATOM 278 C LYS A 17 6.406 0.550 3.954 1.00 0.29 C ATOM 279 O LYS A 17 7.090 -0.406 3.633 1.00 0.40 O ATOM 280 CB LYS A 17 6.093 0.468 6.454 1.00 0.31 C ATOM 281 CG LYS A 17 7.092 -0.695 6.547 1.00 0.40 C ATOM 282 CD LYS A 17 6.964 -1.379 7.913 1.00 0.71 C ATOM 283 CE LYS A 17 6.485 -2.824 7.720 1.00 1.31 C ATOM 284 NZ LYS A 17 5.003 -2.890 7.888 1.00 1.97 N ATOM 0 H LYS A 17 5.066 -1.662 5.254 1.00 0.27 H new ATOM 0 HA LYS A 17 4.701 1.301 5.031 1.00 0.27 H new ATOM 0 HB2 LYS A 17 6.615 1.416 6.584 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.362 0.394 7.259 1.00 0.31 H new ATOM 0 HG2 LYS A 17 6.902 -1.414 5.750 1.00 0.40 H new ATOM 0 HG3 LYS A 17 8.108 -0.326 6.408 1.00 0.40 H new ATOM 0 HD2 LYS A 17 7.925 -1.369 8.428 1.00 0.71 H new ATOM 0 HD3 LYS A 17 6.260 -0.832 8.541 1.00 0.71 H new ATOM 0 HE2 LYS A 17 6.764 -3.180 6.729 1.00 1.31 H new ATOM 0 HE3 LYS A 17 6.972 -3.478 8.443 1.00 1.31 H new ATOM 0 HZ1 LYS A 17 4.682 -3.870 7.757 1.00 1.97 H new ATOM 0 HZ2 LYS A 17 4.747 -2.567 8.843 1.00 1.97 H new ATOM 0 HZ3 LYS A 17 4.546 -2.279 7.182 1.00 1.97 H new ATOM 298 N CYS A 18 6.517 1.712 3.346 1.00 0.27 N ATOM 299 CA CYS A 18 7.498 1.904 2.228 1.00 0.32 C ATOM 300 C CYS A 18 7.945 3.374 2.182 1.00 0.30 C ATOM 301 O CYS A 18 7.262 4.253 2.679 1.00 0.34 O ATOM 302 CB CYS A 18 6.842 1.528 0.893 1.00 0.38 C ATOM 303 SG CYS A 18 7.755 0.160 0.136 1.00 0.75 S ATOM 0 H CYS A 18 5.967 2.539 3.579 1.00 0.27 H new ATOM 0 HA CYS A 18 8.365 1.265 2.397 1.00 0.32 H new ATOM 0 HB2 CYS A 18 5.803 1.241 1.054 1.00 0.38 H new ATOM 0 HB3 CYS A 18 6.835 2.389 0.224 1.00 0.38 H new ATOM 0 HG CYS A 18 7.662 0.240 -1.158 1.00 0.75 H new ATOM 309 N LEU A 19 9.086 3.647 1.589 1.00 0.34 N ATOM 310 CA LEU A 19 9.577 5.058 1.508 1.00 0.35 C ATOM 311 C LEU A 19 8.855 5.794 0.375 1.00 0.34 C ATOM 312 O LEU A 19 8.493 5.203 -0.629 1.00 0.37 O ATOM 313 CB LEU A 19 11.087 5.070 1.232 1.00 0.41 C ATOM 314 CG LEU A 19 11.858 4.904 2.545 1.00 0.67 C ATOM 315 CD1 LEU A 19 12.678 3.614 2.499 1.00 1.09 C ATOM 316 CD2 LEU A 19 12.801 6.095 2.737 1.00 1.07 C ATOM 0 H LEU A 19 9.696 2.952 1.159 1.00 0.34 H new ATOM 0 HA LEU A 19 9.375 5.556 2.456 1.00 0.35 H new ATOM 0 HB2 LEU A 19 11.346 4.265 0.544 1.00 0.41 H new ATOM 0 HB3 LEU A 19 11.370 6.006 0.750 1.00 0.41 H new ATOM 0 HG LEU A 19 11.152 4.858 3.374 1.00 0.67 H new ATOM 0 HD11 LEU A 19 13.226 3.498 3.434 1.00 1.09 H new ATOM 0 HD12 LEU A 19 12.011 2.763 2.361 1.00 1.09 H new ATOM 0 HD13 LEU A 19 13.383 3.660 1.669 1.00 1.09 H new ATOM 0 HD21 LEU A 19 13.350 5.977 3.671 1.00 1.07 H new ATOM 0 HD22 LEU A 19 13.505 6.140 1.906 1.00 1.07 H new ATOM 0 HD23 LEU A 19 12.221 7.017 2.771 1.00 1.07 H new ATOM 328 N ALA A 20 8.658 7.085 0.523 1.00 0.35 N ATOM 329 CA ALA A 20 7.974 7.875 -0.551 1.00 0.38 C ATOM 330 C ALA A 20 8.842 7.875 -1.820 1.00 0.36 C ATOM 331 O ALA A 20 8.348 8.071 -2.915 1.00 0.39 O ATOM 332 CB ALA A 20 7.764 9.316 -0.075 1.00 0.46 C ATOM 0 H ALA A 20 8.942 7.624 1.341 1.00 0.35 H new ATOM 0 HA ALA A 20 7.007 7.423 -0.772 1.00 0.38 H new ATOM 0 HB1 ALA A 20 7.266 9.889 -0.858 1.00 0.46 H new ATOM 0 HB2 ALA A 20 7.146 9.316 0.823 1.00 0.46 H new ATOM 0 HB3 ALA A 20 8.730 9.770 0.149 1.00 0.46 H new ATOM 338 N GLU A 21 10.130 7.644 -1.676 1.00 0.36 N ATOM 339 CA GLU A 21 11.040 7.617 -2.863 1.00 0.38 C ATOM 340 C GLU A 21 10.947 6.253 -3.562 1.00 0.36 C ATOM 341 O GLU A 21 11.285 6.128 -4.726 1.00 0.41 O ATOM 342 CB GLU A 21 12.488 7.865 -2.412 1.00 0.47 C ATOM 343 CG GLU A 21 12.920 6.795 -1.395 1.00 0.52 C ATOM 344 CD GLU A 21 13.869 5.792 -2.063 1.00 0.63 C ATOM 345 OE1 GLU A 21 15.023 6.138 -2.264 1.00 0.83 O ATOM 346 OE2 GLU A 21 13.427 4.692 -2.356 1.00 0.69 O ATOM 0 H GLU A 21 10.588 7.473 -0.781 1.00 0.36 H new ATOM 0 HA GLU A 21 10.738 8.399 -3.560 1.00 0.38 H new ATOM 0 HB2 GLU A 21 13.153 7.846 -3.275 1.00 0.47 H new ATOM 0 HB3 GLU A 21 12.573 8.856 -1.966 1.00 0.47 H new ATOM 0 HG2 GLU A 21 13.415 7.267 -0.546 1.00 0.52 H new ATOM 0 HG3 GLU A 21 12.044 6.276 -1.006 1.00 0.52 H new ATOM 353 N ASP A 22 10.497 5.231 -2.863 1.00 0.34 N ATOM 354 CA ASP A 22 10.388 3.876 -3.486 1.00 0.38 C ATOM 355 C ASP A 22 9.350 3.904 -4.614 1.00 0.33 C ATOM 356 O ASP A 22 8.386 4.650 -4.568 1.00 0.43 O ATOM 357 CB ASP A 22 9.968 2.848 -2.428 1.00 0.44 C ATOM 358 CG ASP A 22 11.207 2.109 -1.910 1.00 0.50 C ATOM 359 OD1 ASP A 22 11.713 1.262 -2.628 1.00 0.71 O ATOM 360 OD2 ASP A 22 11.628 2.403 -0.803 1.00 0.61 O ATOM 0 H ASP A 22 10.202 5.282 -1.888 1.00 0.34 H new ATOM 0 HA ASP A 22 11.358 3.595 -3.896 1.00 0.38 H new ATOM 0 HB2 ASP A 22 9.458 3.347 -1.604 1.00 0.44 H new ATOM 0 HB3 ASP A 22 9.261 2.138 -2.857 1.00 0.44 H new ATOM 365 N SER A 23 9.548 3.099 -5.630 1.00 0.33 N ATOM 366 CA SER A 23 8.587 3.071 -6.775 1.00 0.34 C ATOM 367 C SER A 23 7.370 2.201 -6.431 1.00 0.29 C ATOM 368 O SER A 23 7.404 1.403 -5.510 1.00 0.31 O ATOM 369 CB SER A 23 9.286 2.506 -8.018 1.00 0.46 C ATOM 370 OG SER A 23 9.728 1.177 -7.756 1.00 0.58 O ATOM 0 H SER A 23 10.337 2.458 -5.715 1.00 0.33 H new ATOM 0 HA SER A 23 8.248 4.088 -6.974 1.00 0.34 H new ATOM 0 HB2 SER A 23 8.602 2.512 -8.866 1.00 0.46 H new ATOM 0 HB3 SER A 23 10.134 3.135 -8.288 1.00 0.46 H new ATOM 0 HG SER A 23 10.173 0.817 -8.552 1.00 0.58 H new ATOM 376 N VAL A 24 6.298 2.347 -7.179 1.00 0.32 N ATOM 377 CA VAL A 24 5.070 1.527 -6.922 1.00 0.34 C ATOM 378 C VAL A 24 5.417 0.042 -7.093 1.00 0.32 C ATOM 379 O VAL A 24 4.884 -0.806 -6.402 1.00 0.38 O ATOM 380 CB VAL A 24 3.967 1.920 -7.914 1.00 0.40 C ATOM 381 CG1 VAL A 24 2.737 1.032 -7.705 1.00 0.49 C ATOM 382 CG2 VAL A 24 3.575 3.384 -7.689 1.00 0.45 C ATOM 0 H VAL A 24 6.222 3.001 -7.958 1.00 0.32 H new ATOM 0 HA VAL A 24 4.713 1.707 -5.908 1.00 0.34 H new ATOM 0 HB VAL A 24 4.339 1.789 -8.930 1.00 0.40 H new ATOM 0 HG11 VAL A 24 1.958 1.317 -8.413 1.00 0.49 H new ATOM 0 HG12 VAL A 24 3.010 -0.011 -7.866 1.00 0.49 H new ATOM 0 HG13 VAL A 24 2.366 1.157 -6.688 1.00 0.49 H new ATOM 0 HG21 VAL A 24 2.792 3.663 -8.394 1.00 0.45 H new ATOM 0 HG22 VAL A 24 3.209 3.510 -6.670 1.00 0.45 H new ATOM 0 HG23 VAL A 24 4.446 4.022 -7.843 1.00 0.45 H new ATOM 392 N GLY A 25 6.321 -0.271 -8.000 1.00 0.29 N ATOM 393 CA GLY A 25 6.729 -1.695 -8.211 1.00 0.33 C ATOM 394 C GLY A 25 7.297 -2.247 -6.899 1.00 0.30 C ATOM 395 O GLY A 25 6.932 -3.324 -6.464 1.00 0.33 O ATOM 0 H GLY A 25 6.792 0.404 -8.602 1.00 0.29 H new ATOM 0 HA2 GLY A 25 5.873 -2.289 -8.531 1.00 0.33 H new ATOM 0 HA3 GLY A 25 7.476 -1.760 -9.002 1.00 0.33 H new ATOM 399 N ASP A 26 8.171 -1.499 -6.260 1.00 0.29 N ATOM 400 CA ASP A 26 8.754 -1.952 -4.959 1.00 0.30 C ATOM 401 C ASP A 26 7.636 -2.026 -3.911 1.00 0.30 C ATOM 402 O ASP A 26 7.606 -2.923 -3.087 1.00 0.35 O ATOM 403 CB ASP A 26 9.825 -0.955 -4.499 1.00 0.35 C ATOM 404 CG ASP A 26 10.664 -1.576 -3.378 1.00 0.69 C ATOM 405 OD1 ASP A 26 10.274 -1.445 -2.228 1.00 0.98 O ATOM 406 OD2 ASP A 26 11.685 -2.169 -3.687 1.00 0.98 O ATOM 0 H ASP A 26 8.504 -0.592 -6.588 1.00 0.29 H new ATOM 0 HA ASP A 26 9.210 -2.934 -5.082 1.00 0.30 H new ATOM 0 HB2 ASP A 26 10.466 -0.683 -5.338 1.00 0.35 H new ATOM 0 HB3 ASP A 26 9.354 -0.037 -4.147 1.00 0.35 H new ATOM 411 N PHE A 27 6.711 -1.091 -3.954 1.00 0.29 N ATOM 412 CA PHE A 27 5.570 -1.088 -2.985 1.00 0.31 C ATOM 413 C PHE A 27 4.765 -2.387 -3.148 1.00 0.28 C ATOM 414 O PHE A 27 4.368 -3.005 -2.177 1.00 0.33 O ATOM 415 CB PHE A 27 4.671 0.121 -3.281 1.00 0.35 C ATOM 416 CG PHE A 27 3.588 0.239 -2.232 1.00 0.32 C ATOM 417 CD1 PHE A 27 2.401 -0.491 -2.367 1.00 0.46 C ATOM 418 CD2 PHE A 27 3.769 1.083 -1.130 1.00 0.48 C ATOM 419 CE1 PHE A 27 1.396 -0.378 -1.403 1.00 0.50 C ATOM 420 CE2 PHE A 27 2.762 1.197 -0.166 1.00 0.50 C ATOM 421 CZ PHE A 27 1.576 0.465 -0.303 1.00 0.40 C ATOM 0 H PHE A 27 6.701 -0.324 -4.627 1.00 0.29 H new ATOM 0 HA PHE A 27 5.945 -1.023 -1.963 1.00 0.31 H new ATOM 0 HB2 PHE A 27 5.269 1.032 -3.300 1.00 0.35 H new ATOM 0 HB3 PHE A 27 4.221 0.015 -4.268 1.00 0.35 H new ATOM 0 HD1 PHE A 27 2.262 -1.142 -3.217 1.00 0.46 H new ATOM 0 HD2 PHE A 27 4.685 1.645 -1.024 1.00 0.48 H new ATOM 0 HE1 PHE A 27 0.481 -0.942 -1.508 1.00 0.50 H new ATOM 0 HE2 PHE A 27 2.899 1.849 0.684 1.00 0.50 H new ATOM 0 HZ PHE A 27 0.799 0.552 0.442 1.00 0.40 H new ATOM 431 N LYS A 28 4.535 -2.803 -4.375 1.00 0.28 N ATOM 432 CA LYS A 28 3.768 -4.063 -4.626 1.00 0.28 C ATOM 433 C LYS A 28 4.600 -5.275 -4.181 1.00 0.25 C ATOM 434 O LYS A 28 4.059 -6.290 -3.785 1.00 0.27 O ATOM 435 CB LYS A 28 3.455 -4.181 -6.123 1.00 0.31 C ATOM 436 CG LYS A 28 2.338 -3.200 -6.493 1.00 0.37 C ATOM 437 CD LYS A 28 2.355 -2.946 -8.003 1.00 0.54 C ATOM 438 CE LYS A 28 1.167 -2.058 -8.383 1.00 0.59 C ATOM 439 NZ LYS A 28 1.308 -1.608 -9.798 1.00 0.81 N ATOM 0 H LYS A 28 4.849 -2.318 -5.216 1.00 0.28 H new ATOM 0 HA LYS A 28 2.838 -4.037 -4.059 1.00 0.28 H new ATOM 0 HB2 LYS A 28 4.349 -3.968 -6.710 1.00 0.31 H new ATOM 0 HB3 LYS A 28 3.152 -5.200 -6.362 1.00 0.31 H new ATOM 0 HG2 LYS A 28 1.371 -3.604 -6.193 1.00 0.37 H new ATOM 0 HG3 LYS A 28 2.472 -2.262 -5.955 1.00 0.37 H new ATOM 0 HD2 LYS A 28 3.290 -2.465 -8.291 1.00 0.54 H new ATOM 0 HD3 LYS A 28 2.304 -3.892 -8.543 1.00 0.54 H new ATOM 0 HE2 LYS A 28 0.235 -2.608 -8.257 1.00 0.59 H new ATOM 0 HE3 LYS A 28 1.119 -1.194 -7.720 1.00 0.59 H new ATOM 0 HZ1 LYS A 28 0.816 -0.700 -9.924 1.00 0.81 H new ATOM 0 HZ2 LYS A 28 2.316 -1.490 -10.026 1.00 0.81 H new ATOM 0 HZ3 LYS A 28 0.890 -2.319 -10.432 1.00 0.81 H new ATOM 453 N LYS A 29 5.913 -5.174 -4.242 1.00 0.25 N ATOM 454 CA LYS A 29 6.789 -6.314 -3.818 1.00 0.26 C ATOM 455 C LYS A 29 6.690 -6.495 -2.298 1.00 0.26 C ATOM 456 O LYS A 29 6.598 -7.604 -1.804 1.00 0.33 O ATOM 457 CB LYS A 29 8.244 -6.018 -4.202 1.00 0.30 C ATOM 458 CG LYS A 29 8.432 -6.222 -5.708 1.00 0.34 C ATOM 459 CD LYS A 29 9.903 -6.009 -6.071 1.00 0.79 C ATOM 460 CE LYS A 29 10.019 -5.667 -7.558 1.00 1.23 C ATOM 461 NZ LYS A 29 11.390 -5.161 -7.853 1.00 1.94 N ATOM 0 H LYS A 29 6.413 -4.347 -4.569 1.00 0.25 H new ATOM 0 HA LYS A 29 6.462 -7.226 -4.317 1.00 0.26 H new ATOM 0 HB2 LYS A 29 8.501 -4.995 -3.929 1.00 0.30 H new ATOM 0 HB3 LYS A 29 8.917 -6.674 -3.650 1.00 0.30 H new ATOM 0 HG2 LYS A 29 8.118 -7.226 -5.992 1.00 0.34 H new ATOM 0 HG3 LYS A 29 7.805 -5.523 -6.262 1.00 0.34 H new ATOM 0 HD2 LYS A 29 10.324 -5.204 -5.468 1.00 0.79 H new ATOM 0 HD3 LYS A 29 10.477 -6.908 -5.848 1.00 0.79 H new ATOM 0 HE2 LYS A 29 9.810 -6.550 -8.161 1.00 1.23 H new ATOM 0 HE3 LYS A 29 9.278 -4.914 -7.827 1.00 1.23 H new ATOM 0 HZ1 LYS A 29 11.465 -4.930 -8.864 1.00 1.94 H new ATOM 0 HZ2 LYS A 29 11.574 -4.307 -7.288 1.00 1.94 H new ATOM 0 HZ3 LYS A 29 12.089 -5.892 -7.613 1.00 1.94 H new ATOM 475 N VAL A 30 6.702 -5.409 -1.554 1.00 0.26 N ATOM 476 CA VAL A 30 6.598 -5.507 -0.063 1.00 0.29 C ATOM 477 C VAL A 30 5.160 -5.890 0.317 1.00 0.28 C ATOM 478 O VAL A 30 4.934 -6.596 1.284 1.00 0.34 O ATOM 479 CB VAL A 30 6.957 -4.158 0.575 1.00 0.33 C ATOM 480 CG1 VAL A 30 6.953 -4.294 2.100 1.00 0.40 C ATOM 481 CG2 VAL A 30 8.354 -3.724 0.115 1.00 0.39 C ATOM 0 H VAL A 30 6.780 -4.459 -1.918 1.00 0.26 H new ATOM 0 HA VAL A 30 7.290 -6.267 0.300 1.00 0.29 H new ATOM 0 HB VAL A 30 6.223 -3.413 0.270 1.00 0.33 H new ATOM 0 HG11 VAL A 30 7.208 -3.335 2.551 1.00 0.40 H new ATOM 0 HG12 VAL A 30 5.962 -4.601 2.435 1.00 0.40 H new ATOM 0 HG13 VAL A 30 7.686 -5.043 2.400 1.00 0.40 H new ATOM 0 HG21 VAL A 30 8.606 -2.766 0.570 1.00 0.39 H new ATOM 0 HG22 VAL A 30 9.086 -4.473 0.418 1.00 0.39 H new ATOM 0 HG23 VAL A 30 8.365 -3.624 -0.970 1.00 0.39 H new ATOM 491 N LEU A 31 4.191 -5.429 -0.442 1.00 0.27 N ATOM 492 CA LEU A 31 2.764 -5.759 -0.144 1.00 0.29 C ATOM 493 C LEU A 31 2.484 -7.225 -0.498 1.00 0.28 C ATOM 494 O LEU A 31 1.848 -7.934 0.253 1.00 0.32 O ATOM 495 CB LEU A 31 1.848 -4.844 -0.967 1.00 0.32 C ATOM 496 CG LEU A 31 0.391 -5.055 -0.548 1.00 0.29 C ATOM 497 CD1 LEU A 31 0.156 -4.438 0.832 1.00 0.51 C ATOM 498 CD2 LEU A 31 -0.533 -4.385 -1.569 1.00 0.37 C ATOM 0 H LEU A 31 4.332 -4.835 -1.259 1.00 0.27 H new ATOM 0 HA LEU A 31 2.572 -5.607 0.918 1.00 0.29 H new ATOM 0 HB2 LEU A 31 2.131 -3.802 -0.818 1.00 0.32 H new ATOM 0 HB3 LEU A 31 1.965 -5.058 -2.029 1.00 0.32 H new ATOM 0 HG LEU A 31 0.178 -6.123 -0.506 1.00 0.29 H new ATOM 0 HD11 LEU A 31 -0.882 -4.590 1.127 1.00 0.51 H new ATOM 0 HD12 LEU A 31 0.813 -4.914 1.560 1.00 0.51 H new ATOM 0 HD13 LEU A 31 0.369 -3.370 0.794 1.00 0.51 H new ATOM 0 HD21 LEU A 31 -1.571 -4.534 -1.273 1.00 0.37 H new ATOM 0 HD22 LEU A 31 -0.317 -3.317 -1.610 1.00 0.37 H new ATOM 0 HD23 LEU A 31 -0.369 -4.826 -2.552 1.00 0.37 H new ATOM 510 N SER A 32 2.957 -7.681 -1.639 1.00 0.28 N ATOM 511 CA SER A 32 2.723 -9.104 -2.064 1.00 0.30 C ATOM 512 C SER A 32 3.211 -10.094 -0.990 1.00 0.32 C ATOM 513 O SER A 32 2.805 -11.241 -0.977 1.00 0.34 O ATOM 514 CB SER A 32 3.463 -9.376 -3.380 1.00 0.34 C ATOM 515 OG SER A 32 4.859 -9.167 -3.201 1.00 0.37 O ATOM 0 H SER A 32 3.499 -7.123 -2.299 1.00 0.28 H new ATOM 0 HA SER A 32 1.651 -9.246 -2.201 1.00 0.30 H new ATOM 0 HB2 SER A 32 3.278 -10.399 -3.707 1.00 0.34 H new ATOM 0 HB3 SER A 32 3.085 -8.718 -4.163 1.00 0.34 H new ATOM 0 HG SER A 32 5.001 -8.424 -2.578 1.00 0.37 H new ATOM 521 N LEU A 33 4.077 -9.670 -0.096 1.00 0.36 N ATOM 522 CA LEU A 33 4.584 -10.594 0.966 1.00 0.42 C ATOM 523 C LEU A 33 3.479 -10.882 1.996 1.00 0.42 C ATOM 524 O LEU A 33 3.324 -12.005 2.442 1.00 0.46 O ATOM 525 CB LEU A 33 5.778 -9.950 1.674 1.00 0.51 C ATOM 526 CG LEU A 33 7.055 -10.209 0.871 1.00 0.67 C ATOM 527 CD1 LEU A 33 8.040 -9.059 1.091 1.00 0.81 C ATOM 528 CD2 LEU A 33 7.694 -11.522 1.336 1.00 1.07 C ATOM 0 H LEU A 33 4.453 -8.723 -0.058 1.00 0.36 H new ATOM 0 HA LEU A 33 4.889 -11.531 0.501 1.00 0.42 H new ATOM 0 HB2 LEU A 33 5.615 -8.878 1.780 1.00 0.51 H new ATOM 0 HB3 LEU A 33 5.880 -10.358 2.680 1.00 0.51 H new ATOM 0 HG LEU A 33 6.808 -10.279 -0.188 1.00 0.67 H new ATOM 0 HD11 LEU A 33 8.949 -9.244 0.519 1.00 0.81 H new ATOM 0 HD12 LEU A 33 7.587 -8.124 0.761 1.00 0.81 H new ATOM 0 HD13 LEU A 33 8.286 -8.988 2.150 1.00 0.81 H new ATOM 0 HD21 LEU A 33 8.603 -11.707 0.764 1.00 1.07 H new ATOM 0 HD22 LEU A 33 7.940 -11.452 2.396 1.00 1.07 H new ATOM 0 HD23 LEU A 33 6.994 -12.343 1.179 1.00 1.07 H new ATOM 540 N GLN A 34 2.723 -9.877 2.390 1.00 0.41 N ATOM 541 CA GLN A 34 1.641 -10.093 3.409 1.00 0.45 C ATOM 542 C GLN A 34 0.362 -10.643 2.751 1.00 0.42 C ATOM 543 O GLN A 34 -0.337 -11.447 3.342 1.00 0.51 O ATOM 544 CB GLN A 34 1.334 -8.772 4.134 1.00 0.49 C ATOM 545 CG GLN A 34 0.727 -7.752 3.163 1.00 0.49 C ATOM 546 CD GLN A 34 1.180 -6.339 3.547 1.00 0.42 C ATOM 547 OE1 GLN A 34 0.363 -5.471 3.786 1.00 0.54 O ATOM 548 NE2 GLN A 34 2.456 -6.067 3.614 1.00 0.56 N ATOM 0 H GLN A 34 2.810 -8.919 2.050 1.00 0.41 H new ATOM 0 HA GLN A 34 1.994 -10.829 4.132 1.00 0.45 H new ATOM 0 HB2 GLN A 34 0.643 -8.955 4.957 1.00 0.49 H new ATOM 0 HB3 GLN A 34 2.248 -8.369 4.569 1.00 0.49 H new ATOM 0 HG2 GLN A 34 1.036 -7.979 2.143 1.00 0.49 H new ATOM 0 HG3 GLN A 34 -0.361 -7.815 3.188 1.00 0.49 H new ATOM 0 HE21 GLN A 34 3.143 -6.793 3.414 1.00 0.56 H new ATOM 0 HE22 GLN A 34 2.765 -5.128 3.866 1.00 0.56 H new ATOM 557 N ILE A 35 0.043 -10.223 1.544 1.00 0.34 N ATOM 558 CA ILE A 35 -1.205 -10.735 0.873 1.00 0.35 C ATOM 559 C ILE A 35 -0.906 -12.014 0.079 1.00 0.35 C ATOM 560 O ILE A 35 -1.800 -12.794 -0.194 1.00 0.44 O ATOM 561 CB ILE A 35 -1.788 -9.679 -0.086 1.00 0.34 C ATOM 562 CG1 ILE A 35 -0.672 -9.032 -0.916 1.00 0.33 C ATOM 563 CG2 ILE A 35 -2.512 -8.598 0.717 1.00 0.41 C ATOM 564 CD1 ILE A 35 -1.280 -8.130 -1.992 1.00 0.37 C ATOM 0 H ILE A 35 0.586 -9.554 0.998 1.00 0.34 H new ATOM 0 HA ILE A 35 -1.932 -10.951 1.656 1.00 0.35 H new ATOM 0 HB ILE A 35 -2.490 -10.171 -0.759 1.00 0.34 H new ATOM 0 HG12 ILE A 35 -0.016 -8.450 -0.269 1.00 0.33 H new ATOM 0 HG13 ILE A 35 -0.058 -9.804 -1.380 1.00 0.33 H new ATOM 0 HG21 ILE A 35 -2.923 -7.853 0.036 1.00 0.41 H new ATOM 0 HG22 ILE A 35 -3.321 -9.051 1.290 1.00 0.41 H new ATOM 0 HG23 ILE A 35 -1.809 -8.118 1.398 1.00 0.41 H new ATOM 0 HD11 ILE A 35 -0.482 -7.674 -2.578 1.00 0.37 H new ATOM 0 HD12 ILE A 35 -1.917 -8.724 -2.647 1.00 0.37 H new ATOM 0 HD13 ILE A 35 -1.875 -7.349 -1.518 1.00 0.37 H new ATOM 576 N GLY A 36 0.333 -12.230 -0.308 1.00 0.31 N ATOM 577 CA GLY A 36 0.673 -13.452 -1.101 1.00 0.33 C ATOM 578 C GLY A 36 -0.019 -13.357 -2.464 1.00 0.31 C ATOM 579 O GLY A 36 -0.621 -14.307 -2.933 1.00 0.39 O ATOM 0 H GLY A 36 1.119 -11.612 -0.108 1.00 0.31 H new ATOM 0 HA2 GLY A 36 1.752 -13.532 -1.229 1.00 0.33 H new ATOM 0 HA3 GLY A 36 0.348 -14.348 -0.573 1.00 0.33 H new ATOM 583 N THR A 37 0.047 -12.203 -3.086 1.00 0.27 N ATOM 584 CA THR A 37 -0.616 -12.001 -4.412 1.00 0.28 C ATOM 585 C THR A 37 0.429 -11.660 -5.492 1.00 0.26 C ATOM 586 O THR A 37 0.078 -11.438 -6.637 1.00 0.31 O ATOM 587 CB THR A 37 -1.626 -10.847 -4.287 1.00 0.30 C ATOM 588 OG1 THR A 37 -2.324 -10.951 -3.051 1.00 0.35 O ATOM 589 CG2 THR A 37 -2.633 -10.906 -5.435 1.00 0.41 C ATOM 0 H THR A 37 0.538 -11.384 -2.726 1.00 0.27 H new ATOM 0 HA THR A 37 -1.126 -12.919 -4.705 1.00 0.28 H new ATOM 0 HB THR A 37 -1.085 -9.901 -4.326 1.00 0.30 H new ATOM 0 HG1 THR A 37 -3.229 -10.590 -3.155 1.00 0.35 H new ATOM 0 HG21 THR A 37 -3.344 -10.085 -5.338 1.00 0.41 H new ATOM 0 HG22 THR A 37 -2.107 -10.820 -6.386 1.00 0.41 H new ATOM 0 HG23 THR A 37 -3.168 -11.855 -5.401 1.00 0.41 H new ATOM 597 N GLN A 38 1.702 -11.617 -5.136 1.00 0.28 N ATOM 598 CA GLN A 38 2.782 -11.288 -6.127 1.00 0.31 C ATOM 599 C GLN A 38 2.638 -9.832 -6.609 1.00 0.32 C ATOM 600 O GLN A 38 1.554 -9.280 -6.602 1.00 0.34 O ATOM 601 CB GLN A 38 2.706 -12.240 -7.332 1.00 0.35 C ATOM 602 CG GLN A 38 3.204 -13.631 -6.921 1.00 0.49 C ATOM 603 CD GLN A 38 2.025 -14.608 -6.879 1.00 0.82 C ATOM 604 OE1 GLN A 38 1.655 -15.174 -7.890 1.00 1.15 O ATOM 605 NE2 GLN A 38 1.416 -14.833 -5.747 1.00 1.32 N ATOM 0 H GLN A 38 2.037 -11.799 -4.190 1.00 0.28 H new ATOM 0 HA GLN A 38 3.748 -11.408 -5.637 1.00 0.31 H new ATOM 0 HB2 GLN A 38 1.680 -12.303 -7.695 1.00 0.35 H new ATOM 0 HB3 GLN A 38 3.311 -11.854 -8.152 1.00 0.35 H new ATOM 0 HG2 GLN A 38 3.956 -13.983 -7.628 1.00 0.49 H new ATOM 0 HG3 GLN A 38 3.684 -13.582 -5.944 1.00 0.49 H new ATOM 0 HE21 GLN A 38 1.725 -14.359 -4.898 1.00 1.32 H new ATOM 0 HE22 GLN A 38 0.631 -15.483 -5.711 1.00 1.32 H new ATOM 614 N PRO A 39 3.746 -9.253 -7.018 1.00 0.38 N ATOM 615 CA PRO A 39 3.784 -7.859 -7.513 1.00 0.44 C ATOM 616 C PRO A 39 3.192 -7.753 -8.931 1.00 0.47 C ATOM 617 O PRO A 39 3.019 -6.665 -9.453 1.00 0.73 O ATOM 618 CB PRO A 39 5.278 -7.515 -7.505 1.00 0.53 C ATOM 619 CG PRO A 39 6.036 -8.862 -7.550 1.00 0.53 C ATOM 620 CD PRO A 39 5.060 -9.933 -7.033 1.00 0.44 C ATOM 0 HA PRO A 39 3.191 -7.178 -6.903 1.00 0.44 H new ATOM 0 HB2 PRO A 39 5.538 -6.894 -8.362 1.00 0.53 H new ATOM 0 HB3 PRO A 39 5.542 -6.950 -6.611 1.00 0.53 H new ATOM 0 HG2 PRO A 39 6.360 -9.091 -8.565 1.00 0.53 H new ATOM 0 HG3 PRO A 39 6.932 -8.823 -6.931 1.00 0.53 H new ATOM 0 HD2 PRO A 39 5.048 -10.808 -7.684 1.00 0.44 H new ATOM 0 HD3 PRO A 39 5.340 -10.280 -6.038 1.00 0.44 H new ATOM 628 N ASN A 40 2.876 -8.870 -9.553 1.00 0.37 N ATOM 629 CA ASN A 40 2.291 -8.839 -10.930 1.00 0.43 C ATOM 630 C ASN A 40 0.754 -8.906 -10.859 1.00 0.42 C ATOM 631 O ASN A 40 0.076 -8.545 -11.804 1.00 0.57 O ATOM 632 CB ASN A 40 2.815 -10.037 -11.728 1.00 0.49 C ATOM 633 CG ASN A 40 4.212 -9.724 -12.272 1.00 0.98 C ATOM 634 OD1 ASN A 40 4.350 -9.186 -13.354 1.00 1.43 O ATOM 635 ND2 ASN A 40 5.263 -10.043 -11.565 1.00 1.43 N ATOM 0 H ASN A 40 3.000 -9.803 -9.161 1.00 0.37 H new ATOM 0 HA ASN A 40 2.582 -7.909 -11.419 1.00 0.43 H new ATOM 0 HB2 ASN A 40 2.852 -10.922 -11.092 1.00 0.49 H new ATOM 0 HB3 ASN A 40 2.136 -10.263 -12.550 1.00 0.49 H new ATOM 0 HD21 ASN A 40 6.197 -9.841 -11.921 1.00 1.43 H new ATOM 0 HD22 ASN A 40 5.149 -10.494 -10.657 1.00 1.43 H new ATOM 642 N LYS A 41 0.199 -9.370 -9.755 1.00 0.37 N ATOM 643 CA LYS A 41 -1.293 -9.464 -9.637 1.00 0.39 C ATOM 644 C LYS A 41 -1.825 -8.405 -8.649 1.00 0.35 C ATOM 645 O LYS A 41 -2.965 -8.472 -8.223 1.00 0.44 O ATOM 646 CB LYS A 41 -1.669 -10.867 -9.138 1.00 0.43 C ATOM 647 CG LYS A 41 -2.343 -11.656 -10.265 1.00 0.75 C ATOM 648 CD LYS A 41 -1.604 -12.981 -10.480 1.00 1.07 C ATOM 649 CE LYS A 41 -0.582 -12.825 -11.612 1.00 1.62 C ATOM 650 NZ LYS A 41 -0.968 -13.698 -12.757 1.00 2.33 N ATOM 0 H LYS A 41 0.717 -9.686 -8.935 1.00 0.37 H new ATOM 0 HA LYS A 41 -1.740 -9.283 -10.614 1.00 0.39 H new ATOM 0 HB2 LYS A 41 -0.777 -11.393 -8.797 1.00 0.43 H new ATOM 0 HB3 LYS A 41 -2.341 -10.791 -8.283 1.00 0.43 H new ATOM 0 HG2 LYS A 41 -3.387 -11.847 -10.015 1.00 0.75 H new ATOM 0 HG3 LYS A 41 -2.337 -11.072 -11.185 1.00 0.75 H new ATOM 0 HD2 LYS A 41 -1.100 -13.281 -9.561 1.00 1.07 H new ATOM 0 HD3 LYS A 41 -2.315 -13.770 -10.725 1.00 1.07 H new ATOM 0 HE2 LYS A 41 -0.537 -11.785 -11.934 1.00 1.62 H new ATOM 0 HE3 LYS A 41 0.413 -13.093 -11.257 1.00 1.62 H new ATOM 0 HZ1 LYS A 41 -0.274 -13.591 -13.524 1.00 2.33 H new ATOM 0 HZ2 LYS A 41 -0.990 -14.690 -12.445 1.00 2.33 H new ATOM 0 HZ3 LYS A 41 -1.910 -13.423 -13.101 1.00 2.33 H new ATOM 664 N ILE A 42 -1.017 -7.430 -8.284 1.00 0.32 N ATOM 665 CA ILE A 42 -1.488 -6.379 -7.329 1.00 0.29 C ATOM 666 C ILE A 42 -1.719 -5.059 -8.075 1.00 0.31 C ATOM 667 O ILE A 42 -0.871 -4.592 -8.816 1.00 0.45 O ATOM 668 CB ILE A 42 -0.442 -6.164 -6.226 1.00 0.30 C ATOM 669 CG1 ILE A 42 -0.377 -7.407 -5.335 1.00 0.33 C ATOM 670 CG2 ILE A 42 -0.835 -4.956 -5.371 1.00 0.33 C ATOM 671 CD1 ILE A 42 0.928 -7.396 -4.534 1.00 0.38 C ATOM 0 H ILE A 42 -0.056 -7.321 -8.608 1.00 0.32 H new ATOM 0 HA ILE A 42 -2.424 -6.709 -6.879 1.00 0.29 H new ATOM 0 HB ILE A 42 0.531 -5.987 -6.684 1.00 0.30 H new ATOM 0 HG12 ILE A 42 -1.231 -7.427 -4.658 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -0.433 -8.308 -5.946 1.00 0.33 H new ATOM 0 HG21 ILE A 42 -0.091 -4.806 -4.589 1.00 0.33 H new ATOM 0 HG22 ILE A 42 -0.886 -4.067 -5.999 1.00 0.33 H new ATOM 0 HG23 ILE A 42 -1.809 -5.134 -4.915 1.00 0.33 H new ATOM 0 HD11 ILE A 42 0.973 -8.281 -3.900 1.00 0.38 H new ATOM 0 HD12 ILE A 42 1.776 -7.397 -5.219 1.00 0.38 H new ATOM 0 HD13 ILE A 42 0.965 -6.502 -3.912 1.00 0.38 H new ATOM 683 N VAL A 43 -2.860 -4.455 -7.859 1.00 0.29 N ATOM 684 CA VAL A 43 -3.184 -3.153 -8.513 1.00 0.30 C ATOM 685 C VAL A 43 -3.573 -2.156 -7.415 1.00 0.27 C ATOM 686 O VAL A 43 -4.638 -2.251 -6.830 1.00 0.31 O ATOM 687 CB VAL A 43 -4.352 -3.341 -9.493 1.00 0.37 C ATOM 688 CG1 VAL A 43 -4.690 -2.002 -10.156 1.00 0.48 C ATOM 689 CG2 VAL A 43 -3.962 -4.358 -10.573 1.00 0.53 C ATOM 0 H VAL A 43 -3.592 -4.816 -7.247 1.00 0.29 H new ATOM 0 HA VAL A 43 -2.324 -2.781 -9.070 1.00 0.30 H new ATOM 0 HB VAL A 43 -5.222 -3.706 -8.947 1.00 0.37 H new ATOM 0 HG11 VAL A 43 -5.519 -2.139 -10.851 1.00 0.48 H new ATOM 0 HG12 VAL A 43 -4.973 -1.279 -9.391 1.00 0.48 H new ATOM 0 HG13 VAL A 43 -3.819 -1.634 -10.699 1.00 0.48 H new ATOM 0 HG21 VAL A 43 -4.793 -4.489 -11.266 1.00 0.53 H new ATOM 0 HG22 VAL A 43 -3.090 -3.995 -11.116 1.00 0.53 H new ATOM 0 HG23 VAL A 43 -3.726 -5.314 -10.105 1.00 0.53 H new ATOM 699 N LEU A 44 -2.709 -1.218 -7.115 1.00 0.27 N ATOM 700 CA LEU A 44 -3.014 -0.230 -6.033 1.00 0.28 C ATOM 701 C LEU A 44 -3.536 1.081 -6.635 1.00 0.27 C ATOM 702 O LEU A 44 -3.197 1.446 -7.746 1.00 0.33 O ATOM 703 CB LEU A 44 -1.745 0.043 -5.224 1.00 0.35 C ATOM 704 CG LEU A 44 -1.544 -1.082 -4.205 1.00 0.52 C ATOM 705 CD1 LEU A 44 -0.109 -1.608 -4.293 1.00 0.63 C ATOM 706 CD2 LEU A 44 -1.808 -0.546 -2.796 1.00 0.77 C ATOM 0 H LEU A 44 -1.806 -1.093 -7.572 1.00 0.27 H new ATOM 0 HA LEU A 44 -3.784 -0.644 -5.382 1.00 0.28 H new ATOM 0 HB2 LEU A 44 -0.883 0.106 -5.888 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -1.825 1.002 -4.713 1.00 0.35 H new ATOM 0 HG LEU A 44 -2.238 -1.894 -4.422 1.00 0.52 H new ATOM 0 HD11 LEU A 44 0.030 -2.408 -3.566 1.00 0.63 H new ATOM 0 HD12 LEU A 44 0.077 -1.992 -5.296 1.00 0.63 H new ATOM 0 HD13 LEU A 44 0.589 -0.799 -4.079 1.00 0.63 H new ATOM 0 HD21 LEU A 44 -1.665 -1.346 -2.070 1.00 0.77 H new ATOM 0 HD22 LEU A 44 -1.115 0.268 -2.581 1.00 0.77 H new ATOM 0 HD23 LEU A 44 -2.832 -0.177 -2.733 1.00 0.77 H new ATOM 718 N GLN A 45 -4.365 1.785 -5.896 1.00 0.27 N ATOM 719 CA GLN A 45 -4.930 3.077 -6.400 1.00 0.30 C ATOM 720 C GLN A 45 -4.871 4.132 -5.287 1.00 0.34 C ATOM 721 O GLN A 45 -5.274 3.883 -4.163 1.00 0.47 O ATOM 722 CB GLN A 45 -6.394 2.887 -6.836 1.00 0.38 C ATOM 723 CG GLN A 45 -6.648 1.430 -7.246 1.00 0.40 C ATOM 724 CD GLN A 45 -7.997 1.329 -7.963 1.00 0.61 C ATOM 725 OE1 GLN A 45 -9.037 1.385 -7.337 1.00 0.86 O ATOM 726 NE2 GLN A 45 -8.024 1.183 -9.261 1.00 0.91 N ATOM 0 H GLN A 45 -4.674 1.517 -4.962 1.00 0.27 H new ATOM 0 HA GLN A 45 -4.341 3.406 -7.256 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -7.061 3.163 -6.020 1.00 0.38 H new ATOM 0 HB3 GLN A 45 -6.620 3.551 -7.671 1.00 0.38 H new ATOM 0 HG2 GLN A 45 -5.849 1.081 -7.900 1.00 0.40 H new ATOM 0 HG3 GLN A 45 -6.643 0.787 -6.366 1.00 0.40 H new ATOM 0 HE21 GLN A 45 -7.151 1.136 -9.787 1.00 0.91 H new ATOM 0 HE22 GLN A 45 -8.918 1.116 -9.748 1.00 0.91 H new ATOM 735 N LYS A 46 -4.379 5.311 -5.596 1.00 0.37 N ATOM 736 CA LYS A 46 -4.294 6.393 -4.566 1.00 0.45 C ATOM 737 C LYS A 46 -5.531 7.297 -4.678 1.00 0.48 C ATOM 738 O LYS A 46 -5.531 8.283 -5.396 1.00 0.57 O ATOM 739 CB LYS A 46 -3.018 7.221 -4.791 1.00 0.54 C ATOM 740 CG LYS A 46 -2.129 7.151 -3.544 1.00 0.89 C ATOM 741 CD LYS A 46 -1.896 8.560 -2.992 1.00 0.92 C ATOM 742 CE LYS A 46 -3.002 8.905 -1.991 1.00 1.04 C ATOM 743 NZ LYS A 46 -2.491 9.891 -0.995 1.00 1.46 N ATOM 0 H LYS A 46 -4.032 5.569 -6.520 1.00 0.37 H new ATOM 0 HA LYS A 46 -4.259 5.950 -3.571 1.00 0.45 H new ATOM 0 HB2 LYS A 46 -2.476 6.843 -5.658 1.00 0.54 H new ATOM 0 HB3 LYS A 46 -3.279 8.257 -5.006 1.00 0.54 H new ATOM 0 HG2 LYS A 46 -2.600 6.527 -2.785 1.00 0.89 H new ATOM 0 HG3 LYS A 46 -1.175 6.686 -3.792 1.00 0.89 H new ATOM 0 HD2 LYS A 46 -0.921 8.616 -2.507 1.00 0.92 H new ATOM 0 HD3 LYS A 46 -1.889 9.285 -3.806 1.00 0.92 H new ATOM 0 HE2 LYS A 46 -3.864 9.317 -2.515 1.00 1.04 H new ATOM 0 HE3 LYS A 46 -3.340 8.002 -1.482 1.00 1.04 H new ATOM 0 HZ1 LYS A 46 -3.245 10.122 -0.317 1.00 1.46 H new ATOM 0 HZ2 LYS A 46 -1.681 9.482 -0.486 1.00 1.46 H new ATOM 0 HZ3 LYS A 46 -2.190 10.757 -1.487 1.00 1.46 H new ATOM 757 N GLY A 47 -6.587 6.961 -3.970 1.00 0.57 N ATOM 758 CA GLY A 47 -7.834 7.787 -4.021 1.00 0.67 C ATOM 759 C GLY A 47 -8.549 7.562 -5.357 1.00 0.62 C ATOM 760 O GLY A 47 -9.412 6.712 -5.471 1.00 0.80 O ATOM 0 H GLY A 47 -6.636 6.147 -3.358 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -8.493 7.519 -3.195 1.00 0.67 H new ATOM 0 HA3 GLY A 47 -7.588 8.842 -3.903 1.00 0.67 H new ATOM 764 N GLY A 48 -8.191 8.321 -6.366 1.00 0.58 N ATOM 765 CA GLY A 48 -8.838 8.164 -7.706 1.00 0.63 C ATOM 766 C GLY A 48 -7.757 8.114 -8.790 1.00 0.58 C ATOM 767 O GLY A 48 -7.847 8.793 -9.797 1.00 0.75 O ATOM 0 H GLY A 48 -7.475 9.046 -6.317 1.00 0.58 H new ATOM 0 HA2 GLY A 48 -9.435 7.252 -7.729 1.00 0.63 H new ATOM 0 HA3 GLY A 48 -9.518 8.995 -7.893 1.00 0.63 H new ATOM 771 N SER A 49 -6.732 7.316 -8.584 1.00 0.47 N ATOM 772 CA SER A 49 -5.631 7.214 -9.594 1.00 0.51 C ATOM 773 C SER A 49 -4.985 5.826 -9.512 1.00 0.45 C ATOM 774 O SER A 49 -4.738 5.311 -8.437 1.00 0.48 O ATOM 775 CB SER A 49 -4.576 8.285 -9.303 1.00 0.58 C ATOM 776 OG SER A 49 -4.340 9.048 -10.480 1.00 1.12 O ATOM 0 H SER A 49 -6.612 6.731 -7.757 1.00 0.47 H new ATOM 0 HA SER A 49 -6.039 7.364 -10.593 1.00 0.51 H new ATOM 0 HB2 SER A 49 -4.915 8.935 -8.497 1.00 0.58 H new ATOM 0 HB3 SER A 49 -3.650 7.818 -8.968 1.00 0.58 H new ATOM 0 HG SER A 49 -3.666 9.735 -10.295 1.00 1.12 H new ATOM 782 N VAL A 50 -4.707 5.222 -10.644 1.00 0.46 N ATOM 783 CA VAL A 50 -4.071 3.867 -10.642 1.00 0.44 C ATOM 784 C VAL A 50 -2.557 4.018 -10.458 1.00 0.40 C ATOM 785 O VAL A 50 -1.909 4.779 -11.156 1.00 0.53 O ATOM 786 CB VAL A 50 -4.363 3.152 -11.970 1.00 0.55 C ATOM 787 CG1 VAL A 50 -3.826 1.717 -11.913 1.00 0.63 C ATOM 788 CG2 VAL A 50 -5.876 3.117 -12.213 1.00 0.64 C ATOM 0 H VAL A 50 -4.894 5.610 -11.569 1.00 0.46 H new ATOM 0 HA VAL A 50 -4.481 3.276 -9.823 1.00 0.44 H new ATOM 0 HB VAL A 50 -3.875 3.691 -12.782 1.00 0.55 H new ATOM 0 HG11 VAL A 50 -4.035 1.213 -12.856 1.00 0.63 H new ATOM 0 HG12 VAL A 50 -2.750 1.738 -11.743 1.00 0.63 H new ATOM 0 HG13 VAL A 50 -4.311 1.179 -11.099 1.00 0.63 H new ATOM 0 HG21 VAL A 50 -6.081 2.609 -13.155 1.00 0.64 H new ATOM 0 HG22 VAL A 50 -6.363 2.581 -11.398 1.00 0.64 H new ATOM 0 HG23 VAL A 50 -6.261 4.136 -12.258 1.00 0.64 H new ATOM 798 N LEU A 51 -1.995 3.293 -9.522 1.00 0.35 N ATOM 799 CA LEU A 51 -0.523 3.377 -9.276 1.00 0.36 C ATOM 800 C LEU A 51 0.199 2.382 -10.189 1.00 0.36 C ATOM 801 O LEU A 51 -0.192 1.232 -10.302 1.00 0.53 O ATOM 802 CB LEU A 51 -0.222 3.057 -7.805 1.00 0.44 C ATOM 803 CG LEU A 51 -1.150 3.873 -6.893 1.00 0.44 C ATOM 804 CD1 LEU A 51 -0.842 3.556 -5.429 1.00 0.54 C ATOM 805 CD2 LEU A 51 -0.939 5.370 -7.140 1.00 0.48 C ATOM 0 H LEU A 51 -2.496 2.644 -8.915 1.00 0.35 H new ATOM 0 HA LEU A 51 -0.173 4.386 -9.494 1.00 0.36 H new ATOM 0 HB2 LEU A 51 -0.360 1.992 -7.620 1.00 0.44 H new ATOM 0 HB3 LEU A 51 0.819 3.287 -7.579 1.00 0.44 H new ATOM 0 HG LEU A 51 -2.185 3.611 -7.115 1.00 0.44 H new ATOM 0 HD11 LEU A 51 -1.502 4.136 -4.784 1.00 0.54 H new ATOM 0 HD12 LEU A 51 -0.999 2.493 -5.246 1.00 0.54 H new ATOM 0 HD13 LEU A 51 0.195 3.812 -5.212 1.00 0.54 H new ATOM 0 HD21 LEU A 51 -1.600 5.943 -6.490 1.00 0.48 H new ATOM 0 HD22 LEU A 51 0.097 5.632 -6.925 1.00 0.48 H new ATOM 0 HD23 LEU A 51 -1.163 5.602 -8.181 1.00 0.48 H new ATOM 817 N LYS A 52 1.242 2.823 -10.850 1.00 0.33 N ATOM 818 CA LYS A 52 1.999 1.923 -11.774 1.00 0.35 C ATOM 819 C LYS A 52 3.459 1.824 -11.320 1.00 0.31 C ATOM 820 O LYS A 52 4.036 2.785 -10.841 1.00 0.31 O ATOM 821 CB LYS A 52 1.945 2.495 -13.197 1.00 0.41 C ATOM 822 CG LYS A 52 1.369 1.445 -14.156 1.00 0.79 C ATOM 823 CD LYS A 52 0.318 2.095 -15.061 1.00 1.23 C ATOM 824 CE LYS A 52 -1.079 1.825 -14.496 1.00 1.90 C ATOM 825 NZ LYS A 52 -2.044 2.808 -15.064 1.00 2.76 N ATOM 0 H LYS A 52 1.603 3.775 -10.788 1.00 0.33 H new ATOM 0 HA LYS A 52 1.550 0.930 -11.760 1.00 0.35 H new ATOM 0 HB2 LYS A 52 1.329 3.394 -13.215 1.00 0.41 H new ATOM 0 HB3 LYS A 52 2.944 2.787 -13.520 1.00 0.41 H new ATOM 0 HG2 LYS A 52 2.167 1.014 -14.760 1.00 0.79 H new ATOM 0 HG3 LYS A 52 0.921 0.628 -13.590 1.00 0.79 H new ATOM 0 HD2 LYS A 52 0.494 3.169 -15.128 1.00 1.23 H new ATOM 0 HD3 LYS A 52 0.396 1.696 -16.072 1.00 1.23 H new ATOM 0 HE2 LYS A 52 -1.392 0.810 -14.740 1.00 1.90 H new ATOM 0 HE3 LYS A 52 -1.064 1.901 -13.409 1.00 1.90 H new ATOM 0 HZ1 LYS A 52 -2.993 2.624 -14.680 1.00 2.76 H new ATOM 0 HZ2 LYS A 52 -1.748 3.772 -14.809 1.00 2.76 H new ATOM 0 HZ3 LYS A 52 -2.066 2.715 -16.100 1.00 2.76 H new ATOM 839 N ASP A 53 4.056 0.665 -11.478 1.00 0.33 N ATOM 840 CA ASP A 53 5.486 0.473 -11.070 1.00 0.33 C ATOM 841 C ASP A 53 6.397 1.445 -11.840 1.00 0.32 C ATOM 842 O ASP A 53 7.456 1.813 -11.366 1.00 0.37 O ATOM 843 CB ASP A 53 5.912 -0.975 -11.366 1.00 0.39 C ATOM 844 CG ASP A 53 5.811 -1.259 -12.872 1.00 0.50 C ATOM 845 OD1 ASP A 53 4.733 -1.615 -13.319 1.00 0.66 O ATOM 846 OD2 ASP A 53 6.816 -1.116 -13.552 1.00 0.63 O ATOM 0 H ASP A 53 3.610 -0.162 -11.875 1.00 0.33 H new ATOM 0 HA ASP A 53 5.580 0.674 -10.003 1.00 0.33 H new ATOM 0 HB2 ASP A 53 6.934 -1.138 -11.025 1.00 0.39 H new ATOM 0 HB3 ASP A 53 5.278 -1.669 -10.814 1.00 0.39 H new ATOM 851 N HIS A 54 5.986 1.861 -13.019 1.00 0.32 N ATOM 852 CA HIS A 54 6.816 2.808 -13.830 1.00 0.35 C ATOM 853 C HIS A 54 6.874 4.190 -13.155 1.00 0.33 C ATOM 854 O HIS A 54 7.737 4.992 -13.461 1.00 0.42 O ATOM 855 CB HIS A 54 6.201 2.952 -15.227 1.00 0.40 C ATOM 856 CG HIS A 54 6.300 1.642 -15.958 1.00 0.63 C ATOM 857 ND1 HIS A 54 7.501 1.159 -16.452 1.00 0.91 N ATOM 858 CD2 HIS A 54 5.356 0.699 -16.280 1.00 0.91 C ATOM 859 CE1 HIS A 54 7.251 -0.025 -17.040 1.00 1.14 C ATOM 860 NE2 HIS A 54 5.958 -0.353 -16.964 1.00 1.13 N ATOM 0 H HIS A 54 5.107 1.582 -13.454 1.00 0.32 H new ATOM 0 HA HIS A 54 7.828 2.411 -13.906 1.00 0.35 H new ATOM 0 HB2 HIS A 54 5.158 3.257 -15.147 1.00 0.40 H new ATOM 0 HB3 HIS A 54 6.719 3.732 -15.785 1.00 0.40 H new ATOM 0 HD2 HIS A 54 4.305 0.764 -16.039 1.00 0.91 H new ATOM 0 HE1 HIS A 54 8.004 -0.636 -17.516 1.00 1.14 H new ATOM 0 HE2 HIS A 54 5.509 -1.193 -17.329 1.00 1.13 H new ATOM 868 N ILE A 55 5.967 4.474 -12.243 1.00 0.28 N ATOM 869 CA ILE A 55 5.974 5.801 -11.554 1.00 0.27 C ATOM 870 C ILE A 55 6.381 5.612 -10.086 1.00 0.26 C ATOM 871 O ILE A 55 6.124 4.581 -9.488 1.00 0.29 O ATOM 872 CB ILE A 55 4.575 6.428 -11.637 1.00 0.29 C ATOM 873 CG1 ILE A 55 4.228 6.705 -13.105 1.00 0.39 C ATOM 874 CG2 ILE A 55 4.549 7.747 -10.859 1.00 0.37 C ATOM 875 CD1 ILE A 55 3.273 5.628 -13.626 1.00 0.64 C ATOM 0 H ILE A 55 5.224 3.840 -11.949 1.00 0.28 H new ATOM 0 HA ILE A 55 6.690 6.464 -12.040 1.00 0.27 H new ATOM 0 HB ILE A 55 3.848 5.739 -11.207 1.00 0.29 H new ATOM 0 HG12 ILE A 55 3.768 7.688 -13.200 1.00 0.39 H new ATOM 0 HG13 ILE A 55 5.137 6.719 -13.706 1.00 0.39 H new ATOM 0 HG21 ILE A 55 3.554 8.187 -10.922 1.00 0.37 H new ATOM 0 HG22 ILE A 55 4.797 7.558 -9.815 1.00 0.37 H new ATOM 0 HG23 ILE A 55 5.278 8.436 -11.286 1.00 0.37 H new ATOM 0 HD11 ILE A 55 3.030 5.831 -14.669 1.00 0.64 H new ATOM 0 HD12 ILE A 55 3.749 4.651 -13.547 1.00 0.64 H new ATOM 0 HD13 ILE A 55 2.358 5.635 -13.033 1.00 0.64 H new ATOM 887 N SER A 56 7.022 6.601 -9.507 1.00 0.27 N ATOM 888 CA SER A 56 7.460 6.490 -8.083 1.00 0.28 C ATOM 889 C SER A 56 6.335 6.946 -7.143 1.00 0.25 C ATOM 890 O SER A 56 5.476 7.726 -7.516 1.00 0.26 O ATOM 891 CB SER A 56 8.697 7.362 -7.857 1.00 0.34 C ATOM 892 OG SER A 56 9.618 6.665 -7.027 1.00 0.70 O ATOM 0 H SER A 56 7.260 7.482 -9.963 1.00 0.27 H new ATOM 0 HA SER A 56 7.701 5.449 -7.869 1.00 0.28 H new ATOM 0 HB2 SER A 56 9.163 7.607 -8.812 1.00 0.34 H new ATOM 0 HB3 SER A 56 8.411 8.305 -7.391 1.00 0.34 H new ATOM 0 HG SER A 56 9.769 7.176 -6.205 1.00 0.70 H new ATOM 898 N LEU A 57 6.349 6.465 -5.919 1.00 0.25 N ATOM 899 CA LEU A 57 5.298 6.859 -4.926 1.00 0.26 C ATOM 900 C LEU A 57 5.327 8.379 -4.720 1.00 0.26 C ATOM 901 O LEU A 57 4.300 8.999 -4.506 1.00 0.32 O ATOM 902 CB LEU A 57 5.567 6.157 -3.590 1.00 0.31 C ATOM 903 CG LEU A 57 5.103 4.699 -3.668 1.00 0.39 C ATOM 904 CD1 LEU A 57 5.825 3.876 -2.596 1.00 0.47 C ATOM 905 CD2 LEU A 57 3.591 4.630 -3.431 1.00 0.61 C ATOM 0 H LEU A 57 7.049 5.812 -5.565 1.00 0.25 H new ATOM 0 HA LEU A 57 4.318 6.564 -5.301 1.00 0.26 H new ATOM 0 HB2 LEU A 57 6.631 6.198 -3.355 1.00 0.31 H new ATOM 0 HB3 LEU A 57 5.043 6.673 -2.786 1.00 0.31 H new ATOM 0 HG LEU A 57 5.335 4.296 -4.654 1.00 0.39 H new ATOM 0 HD11 LEU A 57 5.496 2.838 -2.651 1.00 0.47 H new ATOM 0 HD12 LEU A 57 6.901 3.924 -2.763 1.00 0.47 H new ATOM 0 HD13 LEU A 57 5.593 4.279 -1.610 1.00 0.47 H new ATOM 0 HD21 LEU A 57 3.261 3.593 -3.487 1.00 0.61 H new ATOM 0 HD22 LEU A 57 3.359 5.032 -2.445 1.00 0.61 H new ATOM 0 HD23 LEU A 57 3.076 5.216 -4.193 1.00 0.61 H new ATOM 917 N GLU A 58 6.497 8.979 -4.787 1.00 0.25 N ATOM 918 CA GLU A 58 6.613 10.459 -4.604 1.00 0.28 C ATOM 919 C GLU A 58 5.776 11.183 -5.668 1.00 0.29 C ATOM 920 O GLU A 58 5.150 12.189 -5.391 1.00 0.34 O ATOM 921 CB GLU A 58 8.083 10.875 -4.740 1.00 0.33 C ATOM 922 CG GLU A 58 8.403 11.986 -3.733 1.00 0.80 C ATOM 923 CD GLU A 58 8.323 13.351 -4.427 1.00 1.39 C ATOM 924 OE1 GLU A 58 9.315 13.756 -5.013 1.00 1.55 O ATOM 925 OE2 GLU A 58 7.275 13.972 -4.353 1.00 2.02 O ATOM 0 H GLU A 58 7.380 8.500 -4.962 1.00 0.25 H new ATOM 0 HA GLU A 58 6.245 10.729 -3.614 1.00 0.28 H new ATOM 0 HB2 GLU A 58 8.731 10.016 -4.566 1.00 0.33 H new ATOM 0 HB3 GLU A 58 8.280 11.223 -5.754 1.00 0.33 H new ATOM 0 HG2 GLU A 58 7.701 11.949 -2.900 1.00 0.80 H new ATOM 0 HG3 GLU A 58 9.399 11.837 -3.317 1.00 0.80 H new ATOM 932 N ASP A 59 5.757 10.671 -6.881 1.00 0.30 N ATOM 933 CA ASP A 59 4.955 11.318 -7.969 1.00 0.33 C ATOM 934 C ASP A 59 3.466 11.268 -7.606 1.00 0.32 C ATOM 935 O ASP A 59 2.751 12.241 -7.767 1.00 0.37 O ATOM 936 CB ASP A 59 5.181 10.572 -9.288 1.00 0.39 C ATOM 937 CG ASP A 59 6.638 10.735 -9.736 1.00 0.47 C ATOM 938 OD1 ASP A 59 6.935 11.731 -10.376 1.00 0.68 O ATOM 939 OD2 ASP A 59 7.432 9.859 -9.432 1.00 0.55 O ATOM 0 H ASP A 59 6.264 9.832 -7.162 1.00 0.30 H new ATOM 0 HA ASP A 59 5.270 12.356 -8.080 1.00 0.33 H new ATOM 0 HB2 ASP A 59 4.946 9.515 -9.163 1.00 0.39 H new ATOM 0 HB3 ASP A 59 4.510 10.959 -10.055 1.00 0.39 H new ATOM 944 N TYR A 60 3.001 10.143 -7.109 1.00 0.32 N ATOM 945 CA TYR A 60 1.559 10.017 -6.721 1.00 0.34 C ATOM 946 C TYR A 60 1.283 10.815 -5.435 1.00 0.34 C ATOM 947 O TYR A 60 0.143 11.105 -5.118 1.00 0.41 O ATOM 948 CB TYR A 60 1.221 8.539 -6.488 1.00 0.38 C ATOM 949 CG TYR A 60 1.153 7.819 -7.815 1.00 0.32 C ATOM 950 CD1 TYR A 60 0.160 8.155 -8.744 1.00 0.37 C ATOM 951 CD2 TYR A 60 2.084 6.818 -8.117 1.00 0.38 C ATOM 952 CE1 TYR A 60 0.097 7.489 -9.973 1.00 0.42 C ATOM 953 CE2 TYR A 60 2.022 6.152 -9.347 1.00 0.42 C ATOM 954 CZ TYR A 60 1.028 6.488 -10.276 1.00 0.42 C ATOM 955 OH TYR A 60 0.968 5.832 -11.489 1.00 0.53 O ATOM 0 H TYR A 60 3.561 9.305 -6.956 1.00 0.32 H new ATOM 0 HA TYR A 60 0.939 10.415 -7.524 1.00 0.34 H new ATOM 0 HB2 TYR A 60 1.977 8.079 -5.851 1.00 0.38 H new ATOM 0 HB3 TYR A 60 0.268 8.451 -5.966 1.00 0.38 H new ATOM 0 HD1 TYR A 60 -0.557 8.928 -8.512 1.00 0.37 H new ATOM 0 HD2 TYR A 60 2.850 6.559 -7.401 1.00 0.38 H new ATOM 0 HE1 TYR A 60 -0.670 7.747 -10.688 1.00 0.42 H new ATOM 0 HE2 TYR A 60 2.740 5.380 -9.580 1.00 0.42 H new ATOM 0 HH TYR A 60 0.097 5.393 -11.581 1.00 0.53 H new ATOM 965 N GLU A 61 2.318 11.169 -4.696 1.00 0.32 N ATOM 966 CA GLU A 61 2.142 11.949 -3.429 1.00 0.39 C ATOM 967 C GLU A 61 1.492 11.059 -2.358 1.00 0.37 C ATOM 968 O GLU A 61 0.369 11.285 -1.938 1.00 0.49 O ATOM 969 CB GLU A 61 1.277 13.194 -3.696 1.00 0.48 C ATOM 970 CG GLU A 61 1.984 14.442 -3.153 1.00 0.79 C ATOM 971 CD GLU A 61 3.085 14.877 -4.128 1.00 1.49 C ATOM 972 OE1 GLU A 61 2.761 15.547 -5.097 1.00 1.82 O ATOM 973 OE2 GLU A 61 4.232 14.537 -3.889 1.00 2.06 O ATOM 0 H GLU A 61 3.287 10.945 -4.924 1.00 0.32 H new ATOM 0 HA GLU A 61 3.117 12.276 -3.067 1.00 0.39 H new ATOM 0 HB2 GLU A 61 1.099 13.302 -4.766 1.00 0.48 H new ATOM 0 HB3 GLU A 61 0.303 13.080 -3.220 1.00 0.48 H new ATOM 0 HG2 GLU A 61 1.265 15.250 -3.018 1.00 0.79 H new ATOM 0 HG3 GLU A 61 2.414 14.231 -2.174 1.00 0.79 H new ATOM 980 N VAL A 62 2.201 10.049 -1.908 1.00 0.34 N ATOM 981 CA VAL A 62 1.646 9.142 -0.856 1.00 0.36 C ATOM 982 C VAL A 62 1.870 9.781 0.524 1.00 0.34 C ATOM 983 O VAL A 62 2.885 10.410 0.768 1.00 0.44 O ATOM 984 CB VAL A 62 2.331 7.764 -0.940 1.00 0.39 C ATOM 985 CG1 VAL A 62 3.821 7.877 -0.590 1.00 0.42 C ATOM 986 CG2 VAL A 62 1.650 6.794 0.033 1.00 0.45 C ATOM 0 H VAL A 62 3.142 9.815 -2.226 1.00 0.34 H new ATOM 0 HA VAL A 62 0.577 9.000 -1.012 1.00 0.36 H new ATOM 0 HB VAL A 62 2.239 7.391 -1.960 1.00 0.39 H new ATOM 0 HG11 VAL A 62 4.286 6.893 -0.655 1.00 0.42 H new ATOM 0 HG12 VAL A 62 4.309 8.556 -1.290 1.00 0.42 H new ATOM 0 HG13 VAL A 62 3.928 8.262 0.424 1.00 0.42 H new ATOM 0 HG21 VAL A 62 2.134 5.819 -0.026 1.00 0.45 H new ATOM 0 HG22 VAL A 62 1.733 7.179 1.049 1.00 0.45 H new ATOM 0 HG23 VAL A 62 0.597 6.693 -0.231 1.00 0.45 H new ATOM 996 N HIS A 63 0.919 9.641 1.416 1.00 0.33 N ATOM 997 CA HIS A 63 1.061 10.256 2.775 1.00 0.34 C ATOM 998 C HIS A 63 1.165 9.162 3.845 1.00 0.30 C ATOM 999 O HIS A 63 0.804 8.020 3.621 1.00 0.32 O ATOM 1000 CB HIS A 63 -0.160 11.137 3.063 1.00 0.40 C ATOM 1001 CG HIS A 63 -0.228 12.249 2.051 1.00 0.47 C ATOM 1002 ND1 HIS A 63 0.651 13.320 2.068 1.00 0.78 N ATOM 1003 CD2 HIS A 63 -1.062 12.465 0.982 1.00 0.69 C ATOM 1004 CE1 HIS A 63 0.327 14.125 1.039 1.00 0.86 C ATOM 1005 NE2 HIS A 63 -0.710 13.650 0.345 1.00 0.78 N ATOM 0 H HIS A 63 0.051 9.128 1.263 1.00 0.33 H new ATOM 0 HA HIS A 63 1.968 10.860 2.799 1.00 0.34 H new ATOM 0 HB2 HIS A 63 -1.070 10.539 3.023 1.00 0.40 H new ATOM 0 HB3 HIS A 63 -0.094 11.551 4.069 1.00 0.40 H new ATOM 0 HD2 HIS A 63 -1.869 11.813 0.681 1.00 0.69 H new ATOM 0 HE1 HIS A 63 0.843 15.044 0.803 1.00 0.86 H new ATOM 0 HE2 HIS A 63 -1.149 14.067 -0.476 1.00 0.78 H new ATOM 1013 N ASP A 64 1.656 9.514 5.012 1.00 0.31 N ATOM 1014 CA ASP A 64 1.787 8.511 6.113 1.00 0.30 C ATOM 1015 C ASP A 64 0.394 8.158 6.646 1.00 0.28 C ATOM 1016 O ASP A 64 -0.431 9.025 6.881 1.00 0.33 O ATOM 1017 CB ASP A 64 2.638 9.098 7.246 1.00 0.35 C ATOM 1018 CG ASP A 64 2.969 8.003 8.267 1.00 0.44 C ATOM 1019 OD1 ASP A 64 2.195 7.830 9.196 1.00 0.66 O ATOM 1020 OD2 ASP A 64 3.991 7.356 8.103 1.00 0.69 O ATOM 0 H ASP A 64 1.971 10.455 5.247 1.00 0.31 H new ATOM 0 HA ASP A 64 2.270 7.612 5.731 1.00 0.30 H new ATOM 0 HB2 ASP A 64 3.558 9.521 6.841 1.00 0.35 H new ATOM 0 HB3 ASP A 64 2.101 9.912 7.733 1.00 0.35 H new ATOM 1025 N GLN A 65 0.134 6.883 6.833 1.00 0.28 N ATOM 1026 CA GLN A 65 -1.198 6.432 7.348 1.00 0.31 C ATOM 1027 C GLN A 65 -2.302 6.805 6.342 1.00 0.31 C ATOM 1028 O GLN A 65 -3.415 7.132 6.718 1.00 0.40 O ATOM 1029 CB GLN A 65 -1.473 7.088 8.711 1.00 0.38 C ATOM 1030 CG GLN A 65 -1.823 6.008 9.742 1.00 0.44 C ATOM 1031 CD GLN A 65 -0.620 5.082 9.952 1.00 0.44 C ATOM 1032 OE1 GLN A 65 -0.658 3.925 9.581 1.00 0.54 O ATOM 1033 NE2 GLN A 65 0.453 5.543 10.537 1.00 0.57 N ATOM 0 H GLN A 65 0.796 6.129 6.648 1.00 0.28 H new ATOM 0 HA GLN A 65 -1.191 5.349 7.472 1.00 0.31 H new ATOM 0 HB2 GLN A 65 -0.597 7.648 9.039 1.00 0.38 H new ATOM 0 HB3 GLN A 65 -2.293 7.801 8.624 1.00 0.38 H new ATOM 0 HG2 GLN A 65 -2.106 6.472 10.687 1.00 0.44 H new ATOM 0 HG3 GLN A 65 -2.682 5.431 9.401 1.00 0.44 H new ATOM 0 HE21 GLN A 65 0.487 6.514 10.849 1.00 0.57 H new ATOM 0 HE22 GLN A 65 1.257 4.932 10.682 1.00 0.57 H new ATOM 1042 N THR A 66 -2.000 6.746 5.064 1.00 0.28 N ATOM 1043 CA THR A 66 -3.022 7.086 4.025 1.00 0.30 C ATOM 1044 C THR A 66 -3.825 5.826 3.662 1.00 0.27 C ATOM 1045 O THR A 66 -3.390 4.711 3.897 1.00 0.35 O ATOM 1046 CB THR A 66 -2.323 7.651 2.775 1.00 0.34 C ATOM 1047 OG1 THR A 66 -3.298 8.170 1.880 1.00 0.40 O ATOM 1048 CG2 THR A 66 -1.519 6.552 2.070 1.00 0.35 C ATOM 0 H THR A 66 -1.087 6.476 4.697 1.00 0.28 H new ATOM 0 HA THR A 66 -3.704 7.840 4.418 1.00 0.30 H new ATOM 0 HB THR A 66 -1.643 8.445 3.082 1.00 0.34 H new ATOM 0 HG1 THR A 66 -2.874 8.384 1.023 1.00 0.40 H new ATOM 0 HG21 THR A 66 -1.031 6.967 1.188 1.00 0.35 H new ATOM 0 HG22 THR A 66 -0.764 6.159 2.751 1.00 0.35 H new ATOM 0 HG23 THR A 66 -2.190 5.747 1.768 1.00 0.35 H new ATOM 1056 N ASN A 67 -4.996 6.000 3.094 1.00 0.26 N ATOM 1057 CA ASN A 67 -5.834 4.821 2.716 1.00 0.25 C ATOM 1058 C ASN A 67 -5.677 4.534 1.218 1.00 0.23 C ATOM 1059 O ASN A 67 -6.074 5.325 0.378 1.00 0.34 O ATOM 1060 CB ASN A 67 -7.302 5.114 3.038 1.00 0.33 C ATOM 1061 CG ASN A 67 -7.612 4.659 4.467 1.00 0.70 C ATOM 1062 OD1 ASN A 67 -7.435 5.408 5.407 1.00 1.17 O ATOM 1063 ND2 ASN A 67 -8.071 3.453 4.671 1.00 1.14 N ATOM 0 H ASN A 67 -5.406 6.908 2.877 1.00 0.26 H new ATOM 0 HA ASN A 67 -5.508 3.948 3.282 1.00 0.25 H new ATOM 0 HB2 ASN A 67 -7.503 6.180 2.933 1.00 0.33 H new ATOM 0 HB3 ASN A 67 -7.951 4.596 2.331 1.00 0.33 H new ATOM 0 HD21 ASN A 67 -8.281 3.141 5.619 1.00 1.14 H new ATOM 0 HD22 ASN A 67 -8.220 2.824 3.882 1.00 1.14 H new ATOM 1070 N LEU A 68 -5.101 3.404 0.885 1.00 0.25 N ATOM 1071 CA LEU A 68 -4.905 3.037 -0.552 1.00 0.28 C ATOM 1072 C LEU A 68 -5.899 1.937 -0.942 1.00 0.27 C ATOM 1073 O LEU A 68 -6.377 1.193 -0.104 1.00 0.32 O ATOM 1074 CB LEU A 68 -3.477 2.517 -0.758 1.00 0.35 C ATOM 1075 CG LEU A 68 -2.507 3.694 -0.879 1.00 0.41 C ATOM 1076 CD1 LEU A 68 -1.188 3.339 -0.189 1.00 0.62 C ATOM 1077 CD2 LEU A 68 -2.243 3.987 -2.357 1.00 0.80 C ATOM 0 H LEU A 68 -4.756 2.715 1.553 1.00 0.25 H new ATOM 0 HA LEU A 68 -5.070 3.918 -1.173 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -3.188 1.881 0.079 1.00 0.35 H new ATOM 0 HB3 LEU A 68 -3.431 1.902 -1.657 1.00 0.35 H new ATOM 0 HG LEU A 68 -2.942 4.574 -0.405 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -0.496 4.177 -0.274 1.00 0.62 H new ATOM 0 HD12 LEU A 68 -1.374 3.128 0.864 1.00 0.62 H new ATOM 0 HD13 LEU A 68 -0.754 2.460 -0.665 1.00 0.62 H new ATOM 0 HD21 LEU A 68 -1.552 4.825 -2.444 1.00 0.80 H new ATOM 0 HD22 LEU A 68 -1.807 3.107 -2.830 1.00 0.80 H new ATOM 0 HD23 LEU A 68 -3.181 4.238 -2.852 1.00 0.80 H new ATOM 1089 N GLU A 69 -6.200 1.822 -2.212 1.00 0.27 N ATOM 1090 CA GLU A 69 -7.152 0.767 -2.671 1.00 0.30 C ATOM 1091 C GLU A 69 -6.353 -0.428 -3.198 1.00 0.28 C ATOM 1092 O GLU A 69 -5.328 -0.267 -3.836 1.00 0.35 O ATOM 1093 CB GLU A 69 -8.043 1.321 -3.788 1.00 0.36 C ATOM 1094 CG GLU A 69 -9.095 2.261 -3.188 1.00 0.45 C ATOM 1095 CD GLU A 69 -8.571 3.702 -3.209 1.00 0.76 C ATOM 1096 OE1 GLU A 69 -8.559 4.293 -4.277 1.00 0.99 O ATOM 1097 OE2 GLU A 69 -8.190 4.190 -2.157 1.00 1.09 O ATOM 0 H GLU A 69 -5.825 2.416 -2.952 1.00 0.27 H new ATOM 0 HA GLU A 69 -7.781 0.454 -1.838 1.00 0.30 H new ATOM 0 HB2 GLU A 69 -7.437 1.856 -4.519 1.00 0.36 H new ATOM 0 HB3 GLU A 69 -8.531 0.503 -4.317 1.00 0.36 H new ATOM 0 HG2 GLU A 69 -10.023 2.193 -3.755 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -9.323 1.962 -2.165 1.00 0.45 H new ATOM 1104 N LEU A 70 -6.818 -1.624 -2.934 1.00 0.26 N ATOM 1105 CA LEU A 70 -6.098 -2.838 -3.411 1.00 0.25 C ATOM 1106 C LEU A 70 -6.985 -3.582 -4.410 1.00 0.23 C ATOM 1107 O LEU A 70 -8.166 -3.782 -4.183 1.00 0.33 O ATOM 1108 CB LEU A 70 -5.767 -3.746 -2.219 1.00 0.29 C ATOM 1109 CG LEU A 70 -4.885 -4.916 -2.677 1.00 0.30 C ATOM 1110 CD1 LEU A 70 -3.602 -4.386 -3.323 1.00 0.33 C ATOM 1111 CD2 LEU A 70 -4.521 -5.780 -1.466 1.00 0.39 C ATOM 0 H LEU A 70 -7.670 -1.809 -2.405 1.00 0.26 H new ATOM 0 HA LEU A 70 -5.167 -2.549 -3.898 1.00 0.25 H new ATOM 0 HB2 LEU A 70 -5.253 -3.173 -1.447 1.00 0.29 H new ATOM 0 HB3 LEU A 70 -6.687 -4.126 -1.775 1.00 0.29 H new ATOM 0 HG LEU A 70 -5.433 -5.511 -3.407 1.00 0.30 H new ATOM 0 HD11 LEU A 70 -2.983 -5.224 -3.644 1.00 0.33 H new ATOM 0 HD12 LEU A 70 -3.856 -3.771 -4.186 1.00 0.33 H new ATOM 0 HD13 LEU A 70 -3.051 -3.785 -2.599 1.00 0.33 H new ATOM 0 HD21 LEU A 70 -3.895 -6.612 -1.788 1.00 0.39 H new ATOM 0 HD22 LEU A 70 -3.978 -5.177 -0.739 1.00 0.39 H new ATOM 0 HD23 LEU A 70 -5.431 -6.167 -1.008 1.00 0.39 H new ATOM 1123 N TYR A 71 -6.418 -3.977 -5.520 1.00 0.24 N ATOM 1124 CA TYR A 71 -7.203 -4.698 -6.562 1.00 0.28 C ATOM 1125 C TYR A 71 -6.399 -5.903 -7.058 1.00 0.31 C ATOM 1126 O TYR A 71 -5.196 -5.824 -7.232 1.00 0.38 O ATOM 1127 CB TYR A 71 -7.466 -3.744 -7.730 1.00 0.34 C ATOM 1128 CG TYR A 71 -8.860 -3.175 -7.632 1.00 0.39 C ATOM 1129 CD1 TYR A 71 -9.943 -3.878 -8.173 1.00 0.71 C ATOM 1130 CD2 TYR A 71 -9.069 -1.939 -7.007 1.00 0.57 C ATOM 1131 CE1 TYR A 71 -11.234 -3.346 -8.088 1.00 0.91 C ATOM 1132 CE2 TYR A 71 -10.360 -1.406 -6.926 1.00 0.79 C ATOM 1133 CZ TYR A 71 -11.442 -2.109 -7.466 1.00 0.88 C ATOM 1134 OH TYR A 71 -12.715 -1.582 -7.388 1.00 1.17 O ATOM 0 H TYR A 71 -5.435 -3.829 -5.750 1.00 0.24 H new ATOM 0 HA TYR A 71 -8.149 -5.042 -6.145 1.00 0.28 H new ATOM 0 HB2 TYR A 71 -6.734 -2.936 -7.722 1.00 0.34 H new ATOM 0 HB3 TYR A 71 -7.347 -4.273 -8.676 1.00 0.34 H new ATOM 0 HD1 TYR A 71 -9.782 -4.831 -8.656 1.00 0.71 H new ATOM 0 HD2 TYR A 71 -8.234 -1.398 -6.588 1.00 0.57 H new ATOM 0 HE1 TYR A 71 -12.070 -3.890 -8.502 1.00 0.91 H new ATOM 0 HE2 TYR A 71 -10.521 -0.452 -6.447 1.00 0.79 H new ATOM 0 HH TYR A 71 -12.684 -0.719 -6.925 1.00 1.17 H new ATOM 1144 N TYR A 72 -7.050 -7.017 -7.285 1.00 0.39 N ATOM 1145 CA TYR A 72 -6.320 -8.227 -7.771 1.00 0.46 C ATOM 1146 C TYR A 72 -6.554 -8.395 -9.275 1.00 0.53 C ATOM 1147 O TYR A 72 -7.683 -8.435 -9.732 1.00 0.61 O ATOM 1148 CB TYR A 72 -6.819 -9.468 -7.020 1.00 0.54 C ATOM 1149 CG TYR A 72 -6.472 -9.351 -5.548 1.00 0.51 C ATOM 1150 CD1 TYR A 72 -5.288 -8.714 -5.147 1.00 0.47 C ATOM 1151 CD2 TYR A 72 -7.337 -9.884 -4.584 1.00 0.64 C ATOM 1152 CE1 TYR A 72 -4.973 -8.610 -3.788 1.00 0.50 C ATOM 1153 CE2 TYR A 72 -7.021 -9.779 -3.223 1.00 0.67 C ATOM 1154 CZ TYR A 72 -5.838 -9.143 -2.826 1.00 0.58 C ATOM 1155 OH TYR A 72 -5.526 -9.040 -1.486 1.00 0.67 O ATOM 0 H TYR A 72 -8.054 -7.140 -7.155 1.00 0.39 H new ATOM 0 HA TYR A 72 -5.253 -8.107 -7.586 1.00 0.46 H new ATOM 0 HB2 TYR A 72 -7.897 -9.569 -7.142 1.00 0.54 H new ATOM 0 HB3 TYR A 72 -6.365 -10.366 -7.440 1.00 0.54 H new ATOM 0 HD1 TYR A 72 -4.619 -8.303 -5.889 1.00 0.47 H new ATOM 0 HD2 TYR A 72 -8.248 -10.376 -4.890 1.00 0.64 H new ATOM 0 HE1 TYR A 72 -4.062 -8.118 -3.481 1.00 0.50 H new ATOM 0 HE2 TYR A 72 -7.690 -10.188 -2.480 1.00 0.67 H new ATOM 0 HH TYR A 72 -6.230 -8.540 -1.024 1.00 0.67 H new ATOM 1165 N LEU A 73 -5.483 -8.480 -10.039 1.00 0.65 N ATOM 1166 CA LEU A 73 -5.586 -8.636 -11.530 1.00 0.76 C ATOM 1167 C LEU A 73 -6.049 -7.313 -12.166 1.00 0.80 C ATOM 1168 O LEU A 73 -5.251 -6.713 -12.869 1.00 1.03 O ATOM 1169 CB LEU A 73 -6.566 -9.766 -11.887 1.00 0.81 C ATOM 1170 CG LEU A 73 -5.782 -10.982 -12.390 1.00 0.95 C ATOM 1171 CD1 LEU A 73 -6.136 -12.206 -11.545 1.00 1.14 C ATOM 1172 CD2 LEU A 73 -6.147 -11.256 -13.851 1.00 1.63 C ATOM 1173 OXT LEU A 73 -7.185 -6.919 -11.944 1.00 0.84 O ATOM 0 H LEU A 73 -4.527 -8.447 -9.684 1.00 0.65 H new ATOM 0 HA LEU A 73 -4.602 -8.894 -11.922 1.00 0.76 H new ATOM 0 HB2 LEU A 73 -7.158 -10.038 -11.013 1.00 0.81 H new ATOM 0 HB3 LEU A 73 -7.264 -9.428 -12.653 1.00 0.81 H new ATOM 0 HG LEU A 73 -4.714 -10.780 -12.310 1.00 0.95 H new ATOM 0 HD11 LEU A 73 -5.577 -13.070 -11.904 1.00 1.14 H new ATOM 0 HD12 LEU A 73 -5.879 -12.015 -10.503 1.00 1.14 H new ATOM 0 HD13 LEU A 73 -7.205 -12.406 -11.624 1.00 1.14 H new ATOM 0 HD21 LEU A 73 -5.589 -12.121 -14.209 1.00 1.63 H new ATOM 0 HD22 LEU A 73 -7.216 -11.456 -13.928 1.00 1.63 H new ATOM 0 HD23 LEU A 73 -5.896 -10.386 -14.458 1.00 1.63 H new TER 1185 LEU A 73