USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 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 Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.0265) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00312 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.305 X(o=-0.3,f=0.19) USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.238 (180deg=-3.04) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -142:sc= 1.62 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -156:sc= 0.117 USER MOD Single : A 34 GLN : amide:sc= -0.91 K(o=-0.91,f=-5.6!) USER MOD Single : A 37 THR OG1 : rot -119:sc= -1.2 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc=-0.000448 X(o=-0.00045,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc=-0.00714 (180deg=-0.334) 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=-0.012) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -61:sc= -1.33! USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1 K(o=-1,f=-0.2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.613 6.495 5.950 1.00 0.72 N ATOM 2 CA MET A 1 9.630 5.406 5.666 1.00 0.55 C ATOM 3 C MET A 1 8.252 5.779 6.230 1.00 0.49 C ATOM 4 O MET A 1 8.144 6.386 7.282 1.00 0.63 O ATOM 5 CB MET A 1 10.108 4.098 6.306 1.00 0.79 C ATOM 6 CG MET A 1 10.226 3.024 5.224 1.00 1.05 C ATOM 7 SD MET A 1 11.454 1.790 5.721 1.00 1.15 S ATOM 8 CE MET A 1 11.747 1.103 4.073 1.00 1.45 C ATOM 0 H1 MET A 1 11.577 6.106 5.932 1.00 0.72 H new ATOM 0 H2 MET A 1 10.526 7.238 5.228 1.00 0.72 H new ATOM 0 H3 MET A 1 10.421 6.900 6.888 1.00 0.72 H new ATOM 0 HA MET A 1 9.550 5.275 4.587 1.00 0.55 H new ATOM 0 HB2 MET A 1 11.071 4.248 6.793 1.00 0.79 H new ATOM 0 HB3 MET A 1 9.407 3.779 7.077 1.00 0.79 H new ATOM 0 HG2 MET A 1 9.259 2.546 5.066 1.00 1.05 H new ATOM 0 HG3 MET A 1 10.516 3.479 4.277 1.00 1.05 H new ATOM 0 HE1 MET A 1 12.239 0.135 4.165 1.00 1.45 H new ATOM 0 HE2 MET A 1 10.795 0.979 3.556 1.00 1.45 H new ATOM 0 HE3 MET A 1 12.384 1.781 3.504 1.00 1.45 H new ATOM 18 N ILE A 2 7.202 5.412 5.534 1.00 0.38 N ATOM 19 CA ILE A 2 5.821 5.729 6.015 1.00 0.34 C ATOM 20 C ILE A 2 4.994 4.442 6.106 1.00 0.34 C ATOM 21 O ILE A 2 5.342 3.423 5.536 1.00 0.39 O ATOM 22 CB ILE A 2 5.134 6.710 5.051 1.00 0.32 C ATOM 23 CG1 ILE A 2 5.103 6.120 3.634 1.00 0.35 C ATOM 24 CG2 ILE A 2 5.895 8.036 5.033 1.00 0.37 C ATOM 25 CD1 ILE A 2 3.884 6.660 2.885 1.00 0.49 C ATOM 0 H ILE A 2 7.243 4.905 4.650 1.00 0.38 H new ATOM 0 HA ILE A 2 5.892 6.188 7.001 1.00 0.34 H new ATOM 0 HB ILE A 2 4.113 6.881 5.391 1.00 0.32 H new ATOM 0 HG12 ILE A 2 6.017 6.381 3.100 1.00 0.35 H new ATOM 0 HG13 ILE A 2 5.061 5.032 3.682 1.00 0.35 H new ATOM 0 HG21 ILE A 2 5.404 8.728 4.348 1.00 0.37 H new ATOM 0 HG22 ILE A 2 5.905 8.463 6.036 1.00 0.37 H new ATOM 0 HG23 ILE A 2 6.919 7.863 4.702 1.00 0.37 H new ATOM 0 HD11 ILE A 2 3.861 6.242 1.879 1.00 0.49 H new ATOM 0 HD12 ILE A 2 2.976 6.377 3.417 1.00 0.49 H new ATOM 0 HD13 ILE A 2 3.946 7.747 2.825 1.00 0.49 H new ATOM 37 N GLU A 3 3.895 4.491 6.817 1.00 0.35 N ATOM 38 CA GLU A 3 3.021 3.287 6.956 1.00 0.36 C ATOM 39 C GLU A 3 1.690 3.550 6.243 1.00 0.34 C ATOM 40 O GLU A 3 0.986 4.490 6.562 1.00 0.51 O ATOM 41 CB GLU A 3 2.768 3.018 8.443 1.00 0.48 C ATOM 42 CG GLU A 3 2.700 1.508 8.695 1.00 0.57 C ATOM 43 CD GLU A 3 1.380 0.950 8.150 1.00 0.63 C ATOM 44 OE1 GLU A 3 0.341 1.300 8.688 1.00 0.90 O ATOM 45 OE2 GLU A 3 1.431 0.179 7.206 1.00 0.71 O ATOM 0 H GLU A 3 3.564 5.320 7.310 1.00 0.35 H new ATOM 0 HA GLU A 3 3.507 2.419 6.510 1.00 0.36 H new ATOM 0 HB2 GLU A 3 3.564 3.460 9.042 1.00 0.48 H new ATOM 0 HB3 GLU A 3 1.836 3.490 8.754 1.00 0.48 H new ATOM 0 HG2 GLU A 3 3.542 1.011 8.213 1.00 0.57 H new ATOM 0 HG3 GLU A 3 2.778 1.304 9.763 1.00 0.57 H new ATOM 52 N VAL A 4 1.346 2.732 5.278 1.00 0.27 N ATOM 53 CA VAL A 4 0.061 2.940 4.534 1.00 0.28 C ATOM 54 C VAL A 4 -0.894 1.765 4.789 1.00 0.28 C ATOM 55 O VAL A 4 -0.473 0.649 5.044 1.00 0.36 O ATOM 56 CB VAL A 4 0.346 3.060 3.029 1.00 0.31 C ATOM 57 CG1 VAL A 4 1.301 4.230 2.778 1.00 0.37 C ATOM 58 CG2 VAL A 4 0.983 1.767 2.507 1.00 0.37 C ATOM 0 H VAL A 4 1.898 1.930 4.973 1.00 0.27 H new ATOM 0 HA VAL A 4 -0.407 3.859 4.887 1.00 0.28 H new ATOM 0 HB VAL A 4 -0.594 3.233 2.506 1.00 0.31 H new ATOM 0 HG11 VAL A 4 1.502 4.313 1.710 1.00 0.37 H new ATOM 0 HG12 VAL A 4 0.846 5.154 3.135 1.00 0.37 H new ATOM 0 HG13 VAL A 4 2.236 4.057 3.310 1.00 0.37 H new ATOM 0 HG21 VAL A 4 1.180 1.864 1.439 1.00 0.37 H new ATOM 0 HG22 VAL A 4 1.919 1.584 3.034 1.00 0.37 H new ATOM 0 HG23 VAL A 4 0.303 0.932 2.676 1.00 0.37 H new ATOM 68 N VAL A 5 -2.180 2.014 4.716 1.00 0.31 N ATOM 69 CA VAL A 5 -3.181 0.925 4.944 1.00 0.32 C ATOM 70 C VAL A 5 -3.799 0.531 3.598 1.00 0.37 C ATOM 71 O VAL A 5 -4.392 1.348 2.918 1.00 0.55 O ATOM 72 CB VAL A 5 -4.276 1.422 5.898 1.00 0.44 C ATOM 73 CG1 VAL A 5 -5.137 0.240 6.353 1.00 0.48 C ATOM 74 CG2 VAL A 5 -3.634 2.082 7.124 1.00 0.54 C ATOM 0 H VAL A 5 -2.580 2.929 4.507 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.693 0.059 5.390 1.00 0.32 H new ATOM 0 HB VAL A 5 -4.899 2.150 5.378 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -5.914 0.595 7.030 1.00 0.48 H new ATOM 0 HG12 VAL A 5 -5.599 -0.229 5.484 1.00 0.48 H new ATOM 0 HG13 VAL A 5 -4.511 -0.489 6.869 1.00 0.48 H new ATOM 0 HG21 VAL A 5 -4.415 2.433 7.799 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -3.007 1.356 7.642 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -3.023 2.926 6.805 1.00 0.54 H new ATOM 84 N VAL A 6 -3.657 -0.714 3.207 1.00 0.31 N ATOM 85 CA VAL A 6 -4.227 -1.169 1.901 1.00 0.42 C ATOM 86 C VAL A 6 -5.419 -2.093 2.162 1.00 0.44 C ATOM 87 O VAL A 6 -5.305 -3.078 2.867 1.00 0.56 O ATOM 88 CB VAL A 6 -3.149 -1.922 1.111 1.00 0.50 C ATOM 89 CG1 VAL A 6 -3.686 -2.276 -0.277 1.00 0.73 C ATOM 90 CG2 VAL A 6 -1.905 -1.038 0.965 1.00 0.49 C ATOM 0 H VAL A 6 -3.169 -1.435 3.739 1.00 0.31 H new ATOM 0 HA VAL A 6 -4.560 -0.306 1.324 1.00 0.42 H new ATOM 0 HB VAL A 6 -2.884 -2.835 1.644 1.00 0.50 H new ATOM 0 HG11 VAL A 6 -2.920 -2.811 -0.838 1.00 0.73 H new ATOM 0 HG12 VAL A 6 -4.569 -2.907 -0.175 1.00 0.73 H new ATOM 0 HG13 VAL A 6 -3.953 -1.362 -0.808 1.00 0.73 H new ATOM 0 HG21 VAL A 6 -1.141 -1.575 0.403 1.00 0.49 H new ATOM 0 HG22 VAL A 6 -2.169 -0.123 0.435 1.00 0.49 H new ATOM 0 HG23 VAL A 6 -1.520 -0.786 1.953 1.00 0.49 H new ATOM 100 N ASN A 7 -6.563 -1.780 1.603 1.00 0.42 N ATOM 101 CA ASN A 7 -7.770 -2.637 1.821 1.00 0.45 C ATOM 102 C ASN A 7 -8.416 -2.987 0.475 1.00 0.37 C ATOM 103 O ASN A 7 -8.689 -2.121 -0.339 1.00 0.37 O ATOM 104 CB ASN A 7 -8.780 -1.898 2.716 1.00 0.54 C ATOM 105 CG ASN A 7 -9.008 -0.471 2.200 1.00 0.61 C ATOM 106 OD1 ASN A 7 -9.965 -0.214 1.495 1.00 0.74 O ATOM 107 ND2 ASN A 7 -8.168 0.475 2.529 1.00 0.74 N ATOM 0 H ASN A 7 -6.713 -0.967 1.005 1.00 0.42 H new ATOM 0 HA ASN A 7 -7.467 -3.560 2.315 1.00 0.45 H new ATOM 0 HB2 ASN A 7 -9.725 -2.441 2.733 1.00 0.54 H new ATOM 0 HB3 ASN A 7 -8.412 -1.866 3.741 1.00 0.54 H new ATOM 0 HD21 ASN A 7 -8.316 1.427 2.194 1.00 0.74 H new ATOM 0 HD22 ASN A 7 -7.365 0.261 3.120 1.00 0.74 H new ATOM 114 N ASP A 8 -8.660 -4.256 0.239 1.00 0.37 N ATOM 115 CA ASP A 8 -9.283 -4.686 -1.050 1.00 0.34 C ATOM 116 C ASP A 8 -10.781 -4.354 -1.047 1.00 0.38 C ATOM 117 O ASP A 8 -11.435 -4.381 -0.017 1.00 0.48 O ATOM 118 CB ASP A 8 -9.091 -6.197 -1.234 1.00 0.41 C ATOM 119 CG ASP A 8 -8.973 -6.525 -2.727 1.00 0.43 C ATOM 120 OD1 ASP A 8 -10.003 -6.643 -3.373 1.00 0.52 O ATOM 121 OD2 ASP A 8 -7.855 -6.656 -3.198 1.00 0.52 O ATOM 0 H ASP A 8 -8.452 -5.014 0.889 1.00 0.37 H new ATOM 0 HA ASP A 8 -8.803 -4.155 -1.872 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -8.195 -6.526 -0.708 1.00 0.41 H new ATOM 0 HB3 ASP A 8 -9.933 -6.736 -0.799 1.00 0.41 H new ATOM 126 N ARG A 9 -11.324 -4.044 -2.203 1.00 0.40 N ATOM 127 CA ARG A 9 -12.779 -3.706 -2.303 1.00 0.52 C ATOM 128 C ARG A 9 -13.636 -4.941 -1.987 1.00 0.53 C ATOM 129 O ARG A 9 -14.708 -4.824 -1.419 1.00 0.64 O ATOM 130 CB ARG A 9 -13.090 -3.219 -3.724 1.00 0.61 C ATOM 131 CG ARG A 9 -14.512 -2.653 -3.775 1.00 0.94 C ATOM 132 CD ARG A 9 -14.523 -1.359 -4.594 1.00 1.00 C ATOM 133 NE ARG A 9 -14.783 -0.207 -3.687 1.00 1.76 N ATOM 134 CZ ARG A 9 -13.939 0.785 -3.633 1.00 2.56 C ATOM 135 NH1 ARG A 9 -14.078 1.804 -4.437 1.00 3.16 N ATOM 136 NH2 ARG A 9 -12.949 0.758 -2.775 1.00 3.26 N ATOM 0 H ARG A 9 -10.816 -4.011 -3.087 1.00 0.40 H new ATOM 0 HA ARG A 9 -13.012 -2.922 -1.583 1.00 0.52 H new ATOM 0 HB2 ARG A 9 -12.373 -2.454 -4.022 1.00 0.61 H new ATOM 0 HB3 ARG A 9 -12.990 -4.042 -4.431 1.00 0.61 H new ATOM 0 HG2 ARG A 9 -15.188 -3.382 -4.220 1.00 0.94 H new ATOM 0 HG3 ARG A 9 -14.873 -2.459 -2.765 1.00 0.94 H new ATOM 0 HD2 ARG A 9 -13.568 -1.228 -5.103 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -15.291 -1.410 -5.366 1.00 1.00 H new ATOM 0 HE ARG A 9 -15.622 -0.194 -3.107 1.00 1.76 H new ATOM 0 HH11 ARG A 9 -14.847 1.824 -5.107 1.00 3.16 H new ATOM 0 HH12 ARG A 9 -13.418 2.580 -4.395 1.00 3.16 H new ATOM 0 HH21 ARG A 9 -12.838 -0.040 -2.149 1.00 3.26 H new ATOM 0 HH22 ARG A 9 -12.289 1.535 -2.733 1.00 3.26 H new ATOM 150 N LEU A 10 -13.177 -6.119 -2.351 1.00 0.50 N ATOM 151 CA LEU A 10 -13.967 -7.363 -2.075 1.00 0.59 C ATOM 152 C LEU A 10 -14.155 -7.532 -0.561 1.00 0.62 C ATOM 153 O LEU A 10 -15.254 -7.757 -0.087 1.00 0.79 O ATOM 154 CB LEU A 10 -13.218 -8.579 -2.634 1.00 0.64 C ATOM 155 CG LEU A 10 -13.691 -8.861 -4.063 1.00 0.92 C ATOM 156 CD1 LEU A 10 -12.594 -8.457 -5.052 1.00 1.33 C ATOM 157 CD2 LEU A 10 -13.996 -10.357 -4.218 1.00 1.33 C ATOM 0 H LEU A 10 -12.288 -6.271 -2.828 1.00 0.50 H new ATOM 0 HA LEU A 10 -14.943 -7.283 -2.554 1.00 0.59 H new ATOM 0 HB2 LEU A 10 -12.144 -8.393 -2.626 1.00 0.64 H new ATOM 0 HB3 LEU A 10 -13.395 -9.450 -2.003 1.00 0.64 H new ATOM 0 HG LEU A 10 -14.594 -8.285 -4.266 1.00 0.92 H new ATOM 0 HD11 LEU A 10 -12.930 -8.657 -6.069 1.00 1.33 H new ATOM 0 HD12 LEU A 10 -12.380 -7.394 -4.943 1.00 1.33 H new ATOM 0 HD13 LEU A 10 -11.691 -9.032 -4.848 1.00 1.33 H new ATOM 0 HD21 LEU A 10 -14.333 -10.556 -5.235 1.00 1.33 H new ATOM 0 HD22 LEU A 10 -13.095 -10.935 -4.014 1.00 1.33 H new ATOM 0 HD23 LEU A 10 -14.778 -10.644 -3.515 1.00 1.33 H new ATOM 169 N GLY A 11 -13.086 -7.423 0.195 1.00 0.56 N ATOM 170 CA GLY A 11 -13.177 -7.571 1.681 1.00 0.66 C ATOM 171 C GLY A 11 -11.817 -8.010 2.228 1.00 0.60 C ATOM 172 O GLY A 11 -11.634 -9.149 2.619 1.00 0.74 O ATOM 0 H GLY A 11 -12.148 -7.236 -0.159 1.00 0.56 H new ATOM 0 HA2 GLY A 11 -13.477 -6.626 2.135 1.00 0.66 H new ATOM 0 HA3 GLY A 11 -13.940 -8.305 1.939 1.00 0.66 H new ATOM 176 N LYS A 12 -10.862 -7.112 2.248 1.00 0.50 N ATOM 177 CA LYS A 12 -9.499 -7.459 2.760 1.00 0.48 C ATOM 178 C LYS A 12 -8.818 -6.204 3.322 1.00 0.48 C ATOM 179 O LYS A 12 -9.084 -5.100 2.885 1.00 0.76 O ATOM 180 CB LYS A 12 -8.665 -8.027 1.608 1.00 0.49 C ATOM 181 CG LYS A 12 -7.773 -9.153 2.128 1.00 0.74 C ATOM 182 CD LYS A 12 -6.659 -9.434 1.117 1.00 0.96 C ATOM 183 CE LYS A 12 -5.336 -8.877 1.649 1.00 1.49 C ATOM 184 NZ LYS A 12 -5.281 -7.401 1.423 1.00 2.15 N ATOM 0 H LYS A 12 -10.969 -6.149 1.930 1.00 0.50 H new ATOM 0 HA LYS A 12 -9.584 -8.200 3.555 1.00 0.48 H new ATOM 0 HB2 LYS A 12 -9.320 -8.402 0.822 1.00 0.49 H new ATOM 0 HB3 LYS A 12 -8.054 -7.240 1.166 1.00 0.49 H new ATOM 0 HG2 LYS A 12 -7.343 -8.875 3.090 1.00 0.74 H new ATOM 0 HG3 LYS A 12 -8.365 -10.053 2.292 1.00 0.74 H new ATOM 0 HD2 LYS A 12 -6.571 -10.507 0.945 1.00 0.96 H new ATOM 0 HD3 LYS A 12 -6.900 -8.976 0.158 1.00 0.96 H new ATOM 0 HE2 LYS A 12 -5.241 -9.095 2.713 1.00 1.49 H new ATOM 0 HE3 LYS A 12 -4.499 -9.362 1.148 1.00 1.49 H new ATOM 0 HZ1 LYS A 12 -4.313 -7.126 1.159 1.00 2.15 H new ATOM 0 HZ2 LYS A 12 -5.936 -7.142 0.657 1.00 2.15 H new ATOM 0 HZ3 LYS A 12 -5.556 -6.906 2.295 1.00 2.15 H new ATOM 198 N LYS A 13 -7.943 -6.365 4.290 1.00 0.39 N ATOM 199 CA LYS A 13 -7.249 -5.175 4.878 1.00 0.38 C ATOM 200 C LYS A 13 -5.852 -5.565 5.386 1.00 0.42 C ATOM 201 O LYS A 13 -5.699 -6.458 6.202 1.00 0.55 O ATOM 202 CB LYS A 13 -8.085 -4.620 6.038 1.00 0.46 C ATOM 203 CG LYS A 13 -7.792 -3.127 6.201 1.00 0.63 C ATOM 204 CD LYS A 13 -8.992 -2.430 6.849 1.00 1.23 C ATOM 205 CE LYS A 13 -8.501 -1.384 7.855 1.00 1.46 C ATOM 206 NZ LYS A 13 -8.622 -0.019 7.266 1.00 2.30 N ATOM 0 H LYS A 13 -7.682 -7.264 4.695 1.00 0.39 H new ATOM 0 HA LYS A 13 -7.139 -4.413 4.107 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -9.146 -4.775 5.844 1.00 0.46 H new ATOM 0 HB3 LYS A 13 -7.848 -5.152 6.960 1.00 0.46 H new ATOM 0 HG2 LYS A 13 -6.903 -2.987 6.816 1.00 0.63 H new ATOM 0 HG3 LYS A 13 -7.582 -2.680 5.229 1.00 0.63 H new ATOM 0 HD2 LYS A 13 -9.604 -1.953 6.084 1.00 1.23 H new ATOM 0 HD3 LYS A 13 -9.623 -3.163 7.351 1.00 1.23 H new ATOM 0 HE2 LYS A 13 -9.085 -1.447 8.773 1.00 1.46 H new ATOM 0 HE3 LYS A 13 -7.464 -1.583 8.123 1.00 1.46 H new ATOM 0 HZ1 LYS A 13 -8.287 0.686 7.953 1.00 2.30 H new ATOM 0 HZ2 LYS A 13 -8.046 0.039 6.402 1.00 2.30 H new ATOM 0 HZ3 LYS A 13 -9.617 0.171 7.032 1.00 2.30 H new ATOM 220 N VAL A 14 -4.832 -4.886 4.902 1.00 0.38 N ATOM 221 CA VAL A 14 -3.428 -5.186 5.329 1.00 0.46 C ATOM 222 C VAL A 14 -2.638 -3.874 5.467 1.00 0.41 C ATOM 223 O VAL A 14 -2.999 -2.857 4.903 1.00 0.56 O ATOM 224 CB VAL A 14 -2.748 -6.082 4.282 1.00 0.58 C ATOM 225 CG1 VAL A 14 -3.324 -7.500 4.365 1.00 0.69 C ATOM 226 CG2 VAL A 14 -2.988 -5.520 2.873 1.00 0.65 C ATOM 0 H VAL A 14 -4.917 -4.130 4.223 1.00 0.38 H new ATOM 0 HA VAL A 14 -3.449 -5.701 6.289 1.00 0.46 H new ATOM 0 HB VAL A 14 -1.677 -6.108 4.482 1.00 0.58 H new ATOM 0 HG11 VAL A 14 -2.840 -8.133 3.621 1.00 0.69 H new ATOM 0 HG12 VAL A 14 -3.146 -7.907 5.360 1.00 0.69 H new ATOM 0 HG13 VAL A 14 -4.396 -7.469 4.172 1.00 0.69 H new ATOM 0 HG21 VAL A 14 -2.502 -6.162 2.138 1.00 0.65 H new ATOM 0 HG22 VAL A 14 -4.059 -5.485 2.673 1.00 0.65 H new ATOM 0 HG23 VAL A 14 -2.573 -4.514 2.807 1.00 0.65 H new ATOM 236 N ARG A 15 -1.553 -3.899 6.209 1.00 0.32 N ATOM 237 CA ARG A 15 -0.722 -2.665 6.384 1.00 0.32 C ATOM 238 C ARG A 15 0.681 -2.922 5.825 1.00 0.33 C ATOM 239 O ARG A 15 1.281 -3.956 6.069 1.00 0.42 O ATOM 240 CB ARG A 15 -0.633 -2.303 7.872 1.00 0.43 C ATOM 241 CG ARG A 15 -1.624 -1.176 8.179 1.00 0.58 C ATOM 242 CD ARG A 15 -1.749 -1.001 9.694 1.00 0.91 C ATOM 243 NE ARG A 15 -3.165 -0.679 10.039 1.00 1.49 N ATOM 244 CZ ARG A 15 -3.930 -1.591 10.578 1.00 2.34 C ATOM 245 NH1 ARG A 15 -3.658 -2.050 11.774 1.00 3.10 N ATOM 246 NH2 ARG A 15 -4.966 -2.046 9.921 1.00 2.89 N ATOM 0 H ARG A 15 -1.208 -4.723 6.701 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.182 -1.835 5.848 1.00 0.32 H new ATOM 0 HB2 ARG A 15 -0.857 -3.176 8.485 1.00 0.43 H new ATOM 0 HB3 ARG A 15 0.381 -1.990 8.122 1.00 0.43 H new ATOM 0 HG2 ARG A 15 -1.286 -0.246 7.722 1.00 0.58 H new ATOM 0 HG3 ARG A 15 -2.598 -1.407 7.748 1.00 0.58 H new ATOM 0 HD2 ARG A 15 -1.437 -1.912 10.204 1.00 0.91 H new ATOM 0 HD3 ARG A 15 -1.089 -0.203 10.035 1.00 0.91 H new ATOM 0 HE ARG A 15 -3.536 0.253 9.854 1.00 1.49 H new ATOM 0 HH11 ARG A 15 -2.849 -1.696 12.285 1.00 3.10 H new ATOM 0 HH12 ARG A 15 -4.255 -2.762 12.195 1.00 3.10 H new ATOM 0 HH21 ARG A 15 -5.176 -1.689 8.989 1.00 2.89 H new ATOM 0 HH22 ARG A 15 -5.564 -2.758 10.341 1.00 2.89 H new ATOM 260 N VAL A 16 1.201 -1.988 5.068 1.00 0.32 N ATOM 261 CA VAL A 16 2.559 -2.154 4.472 1.00 0.39 C ATOM 262 C VAL A 16 3.315 -0.825 4.585 1.00 0.36 C ATOM 263 O VAL A 16 2.755 0.238 4.380 1.00 0.36 O ATOM 264 CB VAL A 16 2.414 -2.579 3.000 1.00 0.44 C ATOM 265 CG1 VAL A 16 1.638 -1.518 2.214 1.00 0.48 C ATOM 266 CG2 VAL A 16 3.797 -2.768 2.370 1.00 0.60 C ATOM 0 H VAL A 16 0.737 -1.110 4.836 1.00 0.32 H new ATOM 0 HA VAL A 16 3.120 -2.924 5.002 1.00 0.39 H new ATOM 0 HB VAL A 16 1.867 -3.521 2.964 1.00 0.44 H new ATOM 0 HG11 VAL A 16 1.543 -1.832 1.175 1.00 0.48 H new ATOM 0 HG12 VAL A 16 0.646 -1.397 2.648 1.00 0.48 H new ATOM 0 HG13 VAL A 16 2.172 -0.569 2.259 1.00 0.48 H new ATOM 0 HG21 VAL A 16 3.684 -3.069 1.328 1.00 0.60 H new ATOM 0 HG22 VAL A 16 4.350 -1.830 2.419 1.00 0.60 H new ATOM 0 HG23 VAL A 16 4.342 -3.540 2.914 1.00 0.60 H new ATOM 276 N LYS A 17 4.576 -0.878 4.929 1.00 0.42 N ATOM 277 CA LYS A 17 5.371 0.380 5.077 1.00 0.43 C ATOM 278 C LYS A 17 6.366 0.519 3.915 1.00 0.46 C ATOM 279 O LYS A 17 6.959 -0.449 3.471 1.00 0.59 O ATOM 280 CB LYS A 17 6.121 0.364 6.416 1.00 0.55 C ATOM 281 CG LYS A 17 6.906 -0.944 6.577 1.00 0.66 C ATOM 282 CD LYS A 17 8.395 -0.637 6.739 1.00 1.38 C ATOM 283 CE LYS A 17 9.215 -1.771 6.122 1.00 1.88 C ATOM 284 NZ LYS A 17 10.308 -2.168 7.056 1.00 2.37 N ATOM 0 H LYS A 17 5.091 -1.739 5.114 1.00 0.42 H new ATOM 0 HA LYS A 17 4.693 1.233 5.058 1.00 0.43 H new ATOM 0 HB2 LYS A 17 6.803 1.213 6.468 1.00 0.55 H new ATOM 0 HB3 LYS A 17 5.413 0.473 7.237 1.00 0.55 H new ATOM 0 HG2 LYS A 17 6.542 -1.493 7.445 1.00 0.66 H new ATOM 0 HG3 LYS A 17 6.749 -1.582 5.708 1.00 0.66 H new ATOM 0 HD2 LYS A 17 8.638 0.308 6.254 1.00 1.38 H new ATOM 0 HD3 LYS A 17 8.643 -0.527 7.795 1.00 1.38 H new ATOM 0 HE2 LYS A 17 8.572 -2.626 5.915 1.00 1.88 H new ATOM 0 HE3 LYS A 17 9.636 -1.451 5.169 1.00 1.88 H new ATOM 0 HZ1 LYS A 17 10.863 -2.939 6.633 1.00 2.37 H new ATOM 0 HZ2 LYS A 17 10.928 -1.352 7.232 1.00 2.37 H new ATOM 0 HZ3 LYS A 17 9.896 -2.491 7.955 1.00 2.37 H new ATOM 298 N CYS A 18 6.543 1.726 3.422 1.00 0.40 N ATOM 299 CA CYS A 18 7.491 1.961 2.285 1.00 0.46 C ATOM 300 C CYS A 18 7.946 3.432 2.282 1.00 0.39 C ATOM 301 O CYS A 18 7.357 4.273 2.937 1.00 0.54 O ATOM 302 CB CYS A 18 6.789 1.637 0.960 1.00 0.53 C ATOM 303 SG CYS A 18 5.299 2.656 0.793 1.00 0.68 S ATOM 0 H CYS A 18 6.068 2.562 3.762 1.00 0.40 H new ATOM 0 HA CYS A 18 8.362 1.317 2.402 1.00 0.46 H new ATOM 0 HB2 CYS A 18 7.464 1.823 0.125 1.00 0.53 H new ATOM 0 HB3 CYS A 18 6.524 0.580 0.927 1.00 0.53 H new ATOM 0 HG CYS A 18 4.355 1.956 0.238 1.00 0.68 H new ATOM 309 N LEU A 19 8.985 3.747 1.542 1.00 0.42 N ATOM 310 CA LEU A 19 9.476 5.159 1.487 1.00 0.36 C ATOM 311 C LEU A 19 8.735 5.907 0.374 1.00 0.32 C ATOM 312 O LEU A 19 8.422 5.344 -0.661 1.00 0.38 O ATOM 313 CB LEU A 19 10.984 5.172 1.194 1.00 0.40 C ATOM 314 CG LEU A 19 11.751 5.690 2.417 1.00 0.58 C ATOM 315 CD1 LEU A 19 13.088 4.954 2.533 1.00 0.91 C ATOM 316 CD2 LEU A 19 12.014 7.192 2.265 1.00 0.86 C ATOM 0 H LEU A 19 9.513 3.085 0.974 1.00 0.42 H new ATOM 0 HA LEU A 19 9.291 5.646 2.445 1.00 0.36 H new ATOM 0 HB2 LEU A 19 11.322 4.167 0.941 1.00 0.40 H new ATOM 0 HB3 LEU A 19 11.190 5.805 0.331 1.00 0.40 H new ATOM 0 HG LEU A 19 11.156 5.514 3.313 1.00 0.58 H new ATOM 0 HD11 LEU A 19 13.632 5.323 3.402 1.00 0.91 H new ATOM 0 HD12 LEU A 19 12.906 3.885 2.645 1.00 0.91 H new ATOM 0 HD13 LEU A 19 13.679 5.129 1.634 1.00 0.91 H new ATOM 0 HD21 LEU A 19 12.559 7.556 3.136 1.00 0.86 H new ATOM 0 HD22 LEU A 19 12.606 7.369 1.367 1.00 0.86 H new ATOM 0 HD23 LEU A 19 11.065 7.721 2.184 1.00 0.86 H new ATOM 328 N ALA A 20 8.456 7.174 0.576 1.00 0.31 N ATOM 329 CA ALA A 20 7.741 7.970 -0.471 1.00 0.36 C ATOM 330 C ALA A 20 8.604 8.054 -1.740 1.00 0.35 C ATOM 331 O ALA A 20 8.098 8.250 -2.829 1.00 0.41 O ATOM 332 CB ALA A 20 7.464 9.381 0.055 1.00 0.42 C ATOM 0 H ALA A 20 8.694 7.691 1.423 1.00 0.31 H new ATOM 0 HA ALA A 20 6.797 7.481 -0.710 1.00 0.36 H new ATOM 0 HB1 ALA A 20 6.943 9.958 -0.709 1.00 0.42 H new ATOM 0 HB2 ALA A 20 6.844 9.321 0.949 1.00 0.42 H new ATOM 0 HB3 ALA A 20 8.407 9.870 0.300 1.00 0.42 H new ATOM 338 N GLU A 21 9.903 7.895 -1.605 1.00 0.33 N ATOM 339 CA GLU A 21 10.806 7.955 -2.796 1.00 0.37 C ATOM 340 C GLU A 21 10.836 6.591 -3.504 1.00 0.36 C ATOM 341 O GLU A 21 11.203 6.500 -4.661 1.00 0.41 O ATOM 342 CB GLU A 21 12.227 8.334 -2.351 1.00 0.43 C ATOM 343 CG GLU A 21 12.762 7.299 -1.349 1.00 0.43 C ATOM 344 CD GLU A 21 13.789 6.389 -2.035 1.00 0.54 C ATOM 345 OE1 GLU A 21 14.905 6.837 -2.246 1.00 0.76 O ATOM 346 OE2 GLU A 21 13.443 5.257 -2.335 1.00 0.63 O ATOM 0 H GLU A 21 10.375 7.726 -0.717 1.00 0.33 H new ATOM 0 HA GLU A 21 10.429 8.708 -3.488 1.00 0.37 H new ATOM 0 HB2 GLU A 21 12.886 8.386 -3.218 1.00 0.43 H new ATOM 0 HB3 GLU A 21 12.221 9.324 -1.895 1.00 0.43 H new ATOM 0 HG2 GLU A 21 13.222 7.806 -0.500 1.00 0.43 H new ATOM 0 HG3 GLU A 21 11.939 6.702 -0.956 1.00 0.43 H new ATOM 353 N ASP A 22 10.455 5.531 -2.818 1.00 0.34 N ATOM 354 CA ASP A 22 10.466 4.174 -3.449 1.00 0.37 C ATOM 355 C ASP A 22 9.456 4.124 -4.601 1.00 0.34 C ATOM 356 O ASP A 22 8.474 4.846 -4.614 1.00 0.44 O ATOM 357 CB ASP A 22 10.101 3.114 -2.402 1.00 0.42 C ATOM 358 CG ASP A 22 11.373 2.404 -1.928 1.00 0.56 C ATOM 359 OD1 ASP A 22 11.792 1.471 -2.595 1.00 0.75 O ATOM 360 OD2 ASP A 22 11.907 2.805 -0.908 1.00 0.78 O ATOM 0 H ASP A 22 10.138 5.553 -1.849 1.00 0.34 H new ATOM 0 HA ASP A 22 11.464 3.972 -3.838 1.00 0.37 H new ATOM 0 HB2 ASP A 22 9.596 3.581 -1.557 1.00 0.42 H new ATOM 0 HB3 ASP A 22 9.406 2.391 -2.828 1.00 0.42 H new ATOM 365 N SER A 23 9.698 3.276 -5.572 1.00 0.32 N ATOM 366 CA SER A 23 8.768 3.168 -6.738 1.00 0.34 C ATOM 367 C SER A 23 7.580 2.260 -6.389 1.00 0.32 C ATOM 368 O SER A 23 7.629 1.488 -5.446 1.00 0.35 O ATOM 369 CB SER A 23 9.520 2.589 -7.942 1.00 0.42 C ATOM 370 OG SER A 23 10.023 1.299 -7.614 1.00 0.48 O ATOM 0 H SER A 23 10.504 2.652 -5.606 1.00 0.32 H new ATOM 0 HA SER A 23 8.393 4.161 -6.984 1.00 0.34 H new ATOM 0 HB2 SER A 23 8.854 2.523 -8.802 1.00 0.42 H new ATOM 0 HB3 SER A 23 10.340 3.250 -8.224 1.00 0.42 H new ATOM 0 HG SER A 23 10.502 0.929 -8.385 1.00 0.48 H new ATOM 376 N VAL A 24 6.518 2.343 -7.159 1.00 0.33 N ATOM 377 CA VAL A 24 5.319 1.484 -6.901 1.00 0.35 C ATOM 378 C VAL A 24 5.718 0.008 -7.048 1.00 0.34 C ATOM 379 O VAL A 24 5.202 -0.847 -6.352 1.00 0.36 O ATOM 380 CB VAL A 24 4.212 1.829 -7.907 1.00 0.40 C ATOM 381 CG1 VAL A 24 2.999 0.917 -7.685 1.00 0.49 C ATOM 382 CG2 VAL A 24 3.787 3.289 -7.716 1.00 0.43 C ATOM 0 H VAL A 24 6.432 2.972 -7.958 1.00 0.33 H new ATOM 0 HA VAL A 24 4.948 1.662 -5.892 1.00 0.35 H new ATOM 0 HB VAL A 24 4.592 1.683 -8.918 1.00 0.40 H new ATOM 0 HG11 VAL A 24 2.218 1.169 -8.403 1.00 0.49 H new ATOM 0 HG12 VAL A 24 3.296 -0.123 -7.821 1.00 0.49 H new ATOM 0 HG13 VAL A 24 2.620 1.056 -6.673 1.00 0.49 H new ATOM 0 HG21 VAL A 24 3.001 3.535 -8.430 1.00 0.43 H new ATOM 0 HG22 VAL A 24 3.413 3.429 -6.702 1.00 0.43 H new ATOM 0 HG23 VAL A 24 4.644 3.942 -7.880 1.00 0.43 H new ATOM 392 N GLY A 25 6.645 -0.290 -7.936 1.00 0.35 N ATOM 393 CA GLY A 25 7.098 -1.705 -8.118 1.00 0.39 C ATOM 394 C GLY A 25 7.602 -2.243 -6.775 1.00 0.37 C ATOM 395 O GLY A 25 7.228 -3.321 -6.352 1.00 0.41 O ATOM 0 H GLY A 25 7.105 0.390 -8.541 1.00 0.35 H new ATOM 0 HA2 GLY A 25 6.276 -2.319 -8.485 1.00 0.39 H new ATOM 0 HA3 GLY A 25 7.891 -1.754 -8.865 1.00 0.39 H new ATOM 399 N ASP A 26 8.429 -1.480 -6.094 1.00 0.38 N ATOM 400 CA ASP A 26 8.946 -1.916 -4.760 1.00 0.40 C ATOM 401 C ASP A 26 7.782 -1.938 -3.759 1.00 0.35 C ATOM 402 O ASP A 26 7.696 -2.810 -2.915 1.00 0.37 O ATOM 403 CB ASP A 26 10.020 -0.933 -4.278 1.00 0.46 C ATOM 404 CG ASP A 26 10.656 -1.452 -2.983 1.00 0.71 C ATOM 405 OD1 ASP A 26 11.598 -2.223 -3.074 1.00 0.98 O ATOM 406 OD2 ASP A 26 10.191 -1.066 -1.921 1.00 0.90 O ATOM 0 H ASP A 26 8.767 -0.571 -6.409 1.00 0.38 H new ATOM 0 HA ASP A 26 9.383 -2.911 -4.841 1.00 0.40 H new ATOM 0 HB2 ASP A 26 10.784 -0.810 -5.045 1.00 0.46 H new ATOM 0 HB3 ASP A 26 9.578 0.049 -4.109 1.00 0.46 H new ATOM 411 N PHE A 27 6.882 -0.983 -3.867 1.00 0.34 N ATOM 412 CA PHE A 27 5.704 -0.927 -2.947 1.00 0.34 C ATOM 413 C PHE A 27 4.882 -2.217 -3.093 1.00 0.31 C ATOM 414 O PHE A 27 4.417 -2.779 -2.117 1.00 0.35 O ATOM 415 CB PHE A 27 4.843 0.288 -3.317 1.00 0.37 C ATOM 416 CG PHE A 27 3.652 0.391 -2.392 1.00 0.35 C ATOM 417 CD1 PHE A 27 3.825 0.289 -1.006 1.00 0.41 C ATOM 418 CD2 PHE A 27 2.376 0.596 -2.926 1.00 0.45 C ATOM 419 CE1 PHE A 27 2.719 0.390 -0.156 1.00 0.45 C ATOM 420 CE2 PHE A 27 1.270 0.699 -2.075 1.00 0.50 C ATOM 421 CZ PHE A 27 1.441 0.596 -0.691 1.00 0.45 C ATOM 0 H PHE A 27 6.918 -0.236 -4.560 1.00 0.34 H new ATOM 0 HA PHE A 27 6.039 -0.835 -1.914 1.00 0.34 H new ATOM 0 HB2 PHE A 27 5.440 1.198 -3.254 1.00 0.37 H new ATOM 0 HB3 PHE A 27 4.503 0.200 -4.349 1.00 0.37 H new ATOM 0 HD1 PHE A 27 4.811 0.133 -0.594 1.00 0.41 H new ATOM 0 HD2 PHE A 27 2.244 0.675 -3.995 1.00 0.45 H new ATOM 0 HE1 PHE A 27 2.850 0.309 0.913 1.00 0.45 H new ATOM 0 HE2 PHE A 27 0.284 0.858 -2.487 1.00 0.50 H new ATOM 0 HZ PHE A 27 0.587 0.675 -0.034 1.00 0.45 H new ATOM 431 N LYS A 28 4.714 -2.693 -4.308 1.00 0.31 N ATOM 432 CA LYS A 28 3.941 -3.952 -4.537 1.00 0.31 C ATOM 433 C LYS A 28 4.768 -5.154 -4.062 1.00 0.30 C ATOM 434 O LYS A 28 4.227 -6.140 -3.598 1.00 0.32 O ATOM 435 CB LYS A 28 3.631 -4.101 -6.031 1.00 0.35 C ATOM 436 CG LYS A 28 2.484 -3.161 -6.409 1.00 0.41 C ATOM 437 CD LYS A 28 1.935 -3.543 -7.788 1.00 0.46 C ATOM 438 CE LYS A 28 1.992 -2.329 -8.718 1.00 0.85 C ATOM 439 NZ LYS A 28 2.026 -2.785 -10.137 1.00 1.62 N ATOM 0 H LYS A 28 5.083 -2.258 -5.153 1.00 0.31 H new ATOM 0 HA LYS A 28 3.007 -3.910 -3.977 1.00 0.31 H new ATOM 0 HB2 LYS A 28 4.517 -3.868 -6.622 1.00 0.35 H new ATOM 0 HB3 LYS A 28 3.360 -5.132 -6.256 1.00 0.35 H new ATOM 0 HG2 LYS A 28 1.692 -3.220 -5.663 1.00 0.41 H new ATOM 0 HG3 LYS A 28 2.835 -2.129 -6.420 1.00 0.41 H new ATOM 0 HD2 LYS A 28 2.517 -4.363 -8.208 1.00 0.46 H new ATOM 0 HD3 LYS A 28 0.908 -3.896 -7.697 1.00 0.46 H new ATOM 0 HE2 LYS A 28 1.125 -1.690 -8.552 1.00 0.85 H new ATOM 0 HE3 LYS A 28 2.876 -1.730 -8.497 1.00 0.85 H new ATOM 0 HZ1 LYS A 28 2.065 -1.958 -10.767 1.00 1.62 H new ATOM 0 HZ2 LYS A 28 2.867 -3.377 -10.291 1.00 1.62 H new ATOM 0 HZ3 LYS A 28 1.170 -3.338 -10.344 1.00 1.62 H new ATOM 453 N LYS A 29 6.079 -5.070 -4.166 1.00 0.32 N ATOM 454 CA LYS A 29 6.957 -6.195 -3.713 1.00 0.33 C ATOM 455 C LYS A 29 6.786 -6.396 -2.203 1.00 0.31 C ATOM 456 O LYS A 29 6.649 -7.510 -1.731 1.00 0.34 O ATOM 457 CB LYS A 29 8.421 -5.857 -4.011 1.00 0.39 C ATOM 458 CG LYS A 29 8.733 -6.155 -5.477 1.00 0.45 C ATOM 459 CD LYS A 29 10.185 -5.778 -5.770 1.00 0.76 C ATOM 460 CE LYS A 29 10.399 -5.699 -7.283 1.00 0.81 C ATOM 461 NZ LYS A 29 11.155 -4.458 -7.625 1.00 1.19 N ATOM 0 H LYS A 29 6.576 -4.265 -4.547 1.00 0.32 H new ATOM 0 HA LYS A 29 6.678 -7.106 -4.242 1.00 0.33 H new ATOM 0 HB2 LYS A 29 8.612 -4.806 -3.795 1.00 0.39 H new ATOM 0 HB3 LYS A 29 9.077 -6.440 -3.364 1.00 0.39 H new ATOM 0 HG2 LYS A 29 8.570 -7.212 -5.688 1.00 0.45 H new ATOM 0 HG3 LYS A 29 8.061 -5.593 -6.126 1.00 0.45 H new ATOM 0 HD2 LYS A 29 10.423 -4.820 -5.308 1.00 0.76 H new ATOM 0 HD3 LYS A 29 10.858 -6.517 -5.335 1.00 0.76 H new ATOM 0 HE2 LYS A 29 10.947 -6.576 -7.628 1.00 0.81 H new ATOM 0 HE3 LYS A 29 9.437 -5.702 -7.796 1.00 0.81 H new ATOM 0 HZ1 LYS A 29 11.297 -4.410 -8.654 1.00 1.19 H new ATOM 0 HZ2 LYS A 29 10.616 -3.626 -7.311 1.00 1.19 H new ATOM 0 HZ3 LYS A 29 12.079 -4.472 -7.148 1.00 1.19 H new ATOM 475 N VAL A 30 6.785 -5.319 -1.448 1.00 0.30 N ATOM 476 CA VAL A 30 6.611 -5.429 0.036 1.00 0.30 C ATOM 477 C VAL A 30 5.189 -5.923 0.338 1.00 0.26 C ATOM 478 O VAL A 30 4.977 -6.697 1.254 1.00 0.31 O ATOM 479 CB VAL A 30 6.834 -4.058 0.693 1.00 0.36 C ATOM 480 CG1 VAL A 30 6.814 -4.214 2.215 1.00 0.40 C ATOM 481 CG2 VAL A 30 8.193 -3.489 0.268 1.00 0.46 C ATOM 0 H VAL A 30 6.898 -4.368 -1.798 1.00 0.30 H new ATOM 0 HA VAL A 30 7.339 -6.134 0.437 1.00 0.30 H new ATOM 0 HB VAL A 30 6.041 -3.380 0.377 1.00 0.36 H new ATOM 0 HG11 VAL A 30 6.972 -3.242 2.682 1.00 0.40 H new ATOM 0 HG12 VAL A 30 5.849 -4.614 2.527 1.00 0.40 H new ATOM 0 HG13 VAL A 30 7.606 -4.897 2.521 1.00 0.40 H new ATOM 0 HG21 VAL A 30 8.344 -2.517 0.738 1.00 0.46 H new ATOM 0 HG22 VAL A 30 8.986 -4.169 0.579 1.00 0.46 H new ATOM 0 HG23 VAL A 30 8.217 -3.376 -0.816 1.00 0.46 H new ATOM 491 N LEU A 31 4.218 -5.486 -0.436 1.00 0.23 N ATOM 492 CA LEU A 31 2.807 -5.930 -0.216 1.00 0.23 C ATOM 493 C LEU A 31 2.692 -7.428 -0.525 1.00 0.22 C ATOM 494 O LEU A 31 2.056 -8.165 0.201 1.00 0.26 O ATOM 495 CB LEU A 31 1.869 -5.150 -1.144 1.00 0.27 C ATOM 496 CG LEU A 31 1.221 -3.996 -0.375 1.00 0.36 C ATOM 497 CD1 LEU A 31 0.970 -2.827 -1.330 1.00 0.51 C ATOM 498 CD2 LEU A 31 -0.110 -4.463 0.222 1.00 0.63 C ATOM 0 H LEU A 31 4.347 -4.838 -1.213 1.00 0.23 H new ATOM 0 HA LEU A 31 2.528 -5.744 0.821 1.00 0.23 H new ATOM 0 HB2 LEU A 31 2.426 -4.763 -1.997 1.00 0.27 H new ATOM 0 HB3 LEU A 31 1.100 -5.813 -1.539 1.00 0.27 H new ATOM 0 HG LEU A 31 1.885 -3.675 0.427 1.00 0.36 H new ATOM 0 HD11 LEU A 31 0.508 -2.004 -0.784 1.00 0.51 H new ATOM 0 HD12 LEU A 31 1.917 -2.495 -1.755 1.00 0.51 H new ATOM 0 HD13 LEU A 31 0.305 -3.149 -2.132 1.00 0.51 H new ATOM 0 HD21 LEU A 31 -0.571 -3.641 0.770 1.00 0.63 H new ATOM 0 HD22 LEU A 31 -0.776 -4.784 -0.579 1.00 0.63 H new ATOM 0 HD23 LEU A 31 0.068 -5.297 0.901 1.00 0.63 H new ATOM 510 N SER A 32 3.309 -7.873 -1.600 1.00 0.23 N ATOM 511 CA SER A 32 3.256 -9.321 -1.992 1.00 0.26 C ATOM 512 C SER A 32 3.600 -10.235 -0.799 1.00 0.28 C ATOM 513 O SER A 32 3.221 -11.390 -0.778 1.00 0.34 O ATOM 514 CB SER A 32 4.260 -9.570 -3.125 1.00 0.33 C ATOM 515 OG SER A 32 4.238 -10.945 -3.487 1.00 0.36 O ATOM 0 H SER A 32 3.854 -7.284 -2.230 1.00 0.23 H new ATOM 0 HA SER A 32 2.243 -9.553 -2.321 1.00 0.26 H new ATOM 0 HB2 SER A 32 4.011 -8.952 -3.988 1.00 0.33 H new ATOM 0 HB3 SER A 32 5.262 -9.283 -2.806 1.00 0.33 H new ATOM 0 HG SER A 32 5.091 -11.187 -3.903 1.00 0.36 H new ATOM 521 N LEU A 33 4.313 -9.740 0.186 1.00 0.29 N ATOM 522 CA LEU A 33 4.672 -10.593 1.360 1.00 0.35 C ATOM 523 C LEU A 33 3.421 -10.893 2.205 1.00 0.36 C ATOM 524 O LEU A 33 3.209 -12.017 2.622 1.00 0.42 O ATOM 525 CB LEU A 33 5.706 -9.865 2.223 1.00 0.39 C ATOM 526 CG LEU A 33 7.081 -9.931 1.548 1.00 0.51 C ATOM 527 CD1 LEU A 33 7.811 -8.600 1.742 1.00 0.72 C ATOM 528 CD2 LEU A 33 7.905 -11.062 2.174 1.00 0.91 C ATOM 0 H LEU A 33 4.661 -8.782 0.226 1.00 0.29 H new ATOM 0 HA LEU A 33 5.089 -11.533 0.998 1.00 0.35 H new ATOM 0 HB2 LEU A 33 5.409 -8.826 2.364 1.00 0.39 H new ATOM 0 HB3 LEU A 33 5.754 -10.320 3.212 1.00 0.39 H new ATOM 0 HG LEU A 33 6.952 -10.122 0.483 1.00 0.51 H new ATOM 0 HD11 LEU A 33 8.788 -8.648 1.262 1.00 0.72 H new ATOM 0 HD12 LEU A 33 7.226 -7.796 1.295 1.00 0.72 H new ATOM 0 HD13 LEU A 33 7.939 -8.407 2.807 1.00 0.72 H new ATOM 0 HD21 LEU A 33 8.882 -11.109 1.694 1.00 0.91 H new ATOM 0 HD22 LEU A 33 8.033 -10.872 3.240 1.00 0.91 H new ATOM 0 HD23 LEU A 33 7.386 -12.010 2.034 1.00 0.91 H new ATOM 540 N GLN A 34 2.606 -9.895 2.476 1.00 0.34 N ATOM 541 CA GLN A 34 1.380 -10.118 3.314 1.00 0.38 C ATOM 542 C GLN A 34 0.208 -10.666 2.474 1.00 0.38 C ATOM 543 O GLN A 34 -0.609 -11.415 2.978 1.00 0.47 O ATOM 544 CB GLN A 34 0.967 -8.800 3.993 1.00 0.39 C ATOM 545 CG GLN A 34 0.531 -7.768 2.946 1.00 0.36 C ATOM 546 CD GLN A 34 1.105 -6.393 3.306 1.00 0.40 C ATOM 547 OE1 GLN A 34 0.366 -5.465 3.568 1.00 0.59 O ATOM 548 NE2 GLN A 34 2.399 -6.221 3.328 1.00 0.43 N ATOM 0 H GLN A 34 2.738 -8.937 2.153 1.00 0.34 H new ATOM 0 HA GLN A 34 1.623 -10.863 4.072 1.00 0.38 H new ATOM 0 HB2 GLN A 34 0.151 -8.985 4.692 1.00 0.39 H new ATOM 0 HB3 GLN A 34 1.801 -8.407 4.574 1.00 0.39 H new ATOM 0 HG2 GLN A 34 0.877 -8.070 1.958 1.00 0.36 H new ATOM 0 HG3 GLN A 34 -0.557 -7.718 2.901 1.00 0.36 H new ATOM 0 HE21 GLN A 34 3.021 -6.999 3.108 1.00 0.43 H new ATOM 0 HE22 GLN A 34 2.788 -5.308 3.565 1.00 0.43 H new ATOM 557 N ILE A 35 0.105 -10.297 1.213 1.00 0.35 N ATOM 558 CA ILE A 35 -1.037 -10.804 0.373 1.00 0.39 C ATOM 559 C ILE A 35 -0.612 -12.033 -0.443 1.00 0.41 C ATOM 560 O ILE A 35 -1.425 -12.894 -0.731 1.00 0.51 O ATOM 561 CB ILE A 35 -1.535 -9.712 -0.594 1.00 0.37 C ATOM 562 CG1 ILE A 35 -0.351 -9.004 -1.263 1.00 0.43 C ATOM 563 CG2 ILE A 35 -2.365 -8.684 0.172 1.00 0.46 C ATOM 564 CD1 ILE A 35 -0.859 -8.073 -2.365 1.00 0.41 C ATOM 0 H ILE A 35 0.754 -9.674 0.733 1.00 0.35 H new ATOM 0 HA ILE A 35 -1.843 -11.081 1.053 1.00 0.39 H new ATOM 0 HB ILE A 35 -2.147 -10.185 -1.362 1.00 0.37 H new ATOM 0 HG12 ILE A 35 0.209 -8.434 -0.522 1.00 0.43 H new ATOM 0 HG13 ILE A 35 0.334 -9.740 -1.683 1.00 0.43 H new ATOM 0 HG21 ILE A 35 -2.715 -7.914 -0.515 1.00 0.46 H new ATOM 0 HG22 ILE A 35 -3.222 -9.177 0.631 1.00 0.46 H new ATOM 0 HG23 ILE A 35 -1.751 -8.226 0.948 1.00 0.46 H new ATOM 0 HD11 ILE A 35 -0.013 -7.573 -2.837 1.00 0.41 H new ATOM 0 HD12 ILE A 35 -1.400 -8.654 -3.112 1.00 0.41 H new ATOM 0 HD13 ILE A 35 -1.527 -7.328 -1.933 1.00 0.41 H new ATOM 576 N GLY A 36 0.637 -12.112 -0.837 1.00 0.39 N ATOM 577 CA GLY A 36 1.097 -13.275 -1.658 1.00 0.44 C ATOM 578 C GLY A 36 0.504 -13.140 -3.063 1.00 0.43 C ATOM 579 O GLY A 36 -0.008 -14.090 -3.626 1.00 0.54 O ATOM 0 H GLY A 36 1.357 -11.421 -0.625 1.00 0.39 H new ATOM 0 HA2 GLY A 36 2.186 -13.298 -1.707 1.00 0.44 H new ATOM 0 HA3 GLY A 36 0.779 -14.212 -1.200 1.00 0.44 H new ATOM 583 N THR A 37 0.551 -11.949 -3.614 1.00 0.38 N ATOM 584 CA THR A 37 -0.029 -11.704 -4.971 1.00 0.40 C ATOM 585 C THR A 37 1.082 -11.370 -5.987 1.00 0.41 C ATOM 586 O THR A 37 0.821 -11.262 -7.172 1.00 0.48 O ATOM 587 CB THR A 37 -1.013 -10.528 -4.873 1.00 0.38 C ATOM 588 OG1 THR A 37 -1.857 -10.712 -3.743 1.00 0.45 O ATOM 589 CG2 THR A 37 -1.871 -10.455 -6.133 1.00 0.43 C ATOM 0 H THR A 37 0.971 -11.129 -3.176 1.00 0.38 H new ATOM 0 HA THR A 37 -0.543 -12.602 -5.314 1.00 0.40 H new ATOM 0 HB THR A 37 -0.449 -9.601 -4.769 1.00 0.38 H new ATOM 0 HG1 THR A 37 -2.790 -10.772 -4.038 1.00 0.45 H new ATOM 0 HG21 THR A 37 -2.565 -9.618 -6.053 1.00 0.43 H new ATOM 0 HG22 THR A 37 -1.229 -10.312 -7.002 1.00 0.43 H new ATOM 0 HG23 THR A 37 -2.433 -11.382 -6.245 1.00 0.43 H new ATOM 597 N GLN A 38 2.314 -11.211 -5.531 1.00 0.39 N ATOM 598 CA GLN A 38 3.460 -10.888 -6.450 1.00 0.43 C ATOM 599 C GLN A 38 3.303 -9.475 -7.035 1.00 0.43 C ATOM 600 O GLN A 38 2.198 -9.001 -7.225 1.00 0.42 O ATOM 601 CB GLN A 38 3.523 -11.907 -7.599 1.00 0.50 C ATOM 602 CG GLN A 38 4.320 -13.134 -7.156 1.00 0.72 C ATOM 603 CD GLN A 38 3.503 -14.401 -7.423 1.00 1.20 C ATOM 604 OE1 GLN A 38 3.456 -14.885 -8.538 1.00 1.88 O ATOM 605 NE2 GLN A 38 2.851 -14.964 -6.440 1.00 1.97 N ATOM 0 H GLN A 38 2.572 -11.293 -4.548 1.00 0.39 H new ATOM 0 HA GLN A 38 4.382 -10.934 -5.871 1.00 0.43 H new ATOM 0 HB2 GLN A 38 2.515 -12.202 -7.892 1.00 0.50 H new ATOM 0 HB3 GLN A 38 3.990 -11.455 -8.474 1.00 0.50 H new ATOM 0 HG2 GLN A 38 5.267 -13.179 -7.695 1.00 0.72 H new ATOM 0 HG3 GLN A 38 4.560 -13.061 -6.095 1.00 0.72 H new ATOM 0 HE21 GLN A 38 2.890 -14.559 -5.505 1.00 1.97 H new ATOM 0 HE22 GLN A 38 2.304 -15.808 -6.608 1.00 1.97 H new ATOM 614 N PRO A 39 4.427 -8.848 -7.321 1.00 0.49 N ATOM 615 CA PRO A 39 4.459 -7.492 -7.906 1.00 0.56 C ATOM 616 C PRO A 39 4.096 -7.559 -9.400 1.00 0.63 C ATOM 617 O PRO A 39 4.884 -7.218 -10.265 1.00 0.79 O ATOM 618 CB PRO A 39 5.909 -7.041 -7.692 1.00 0.65 C ATOM 619 CG PRO A 39 6.745 -8.330 -7.520 1.00 0.65 C ATOM 620 CD PRO A 39 5.765 -9.437 -7.090 1.00 0.56 C ATOM 0 HA PRO A 39 3.747 -6.801 -7.455 1.00 0.56 H new ATOM 0 HB2 PRO A 39 6.264 -6.458 -8.542 1.00 0.65 H new ATOM 0 HB3 PRO A 39 5.992 -6.404 -6.812 1.00 0.65 H new ATOM 0 HG2 PRO A 39 7.244 -8.595 -8.452 1.00 0.65 H new ATOM 0 HG3 PRO A 39 7.524 -8.189 -6.770 1.00 0.65 H new ATOM 0 HD2 PRO A 39 5.907 -10.345 -7.677 1.00 0.56 H new ATOM 0 HD3 PRO A 39 5.905 -9.709 -6.044 1.00 0.56 H new ATOM 628 N ASN A 40 2.899 -8.008 -9.694 1.00 0.62 N ATOM 629 CA ASN A 40 2.441 -8.125 -11.111 1.00 0.72 C ATOM 630 C ASN A 40 0.908 -8.204 -11.145 1.00 0.65 C ATOM 631 O ASN A 40 0.268 -7.571 -11.965 1.00 0.72 O ATOM 632 CB ASN A 40 3.035 -9.395 -11.737 1.00 0.84 C ATOM 633 CG ASN A 40 4.062 -9.015 -12.809 1.00 1.16 C ATOM 634 OD1 ASN A 40 3.702 -8.695 -13.925 1.00 1.38 O ATOM 635 ND2 ASN A 40 5.336 -9.040 -12.518 1.00 1.68 N ATOM 0 H ASN A 40 2.212 -8.302 -9.000 1.00 0.62 H new ATOM 0 HA ASN A 40 2.773 -7.254 -11.676 1.00 0.72 H new ATOM 0 HB2 ASN A 40 3.508 -10.004 -10.967 1.00 0.84 H new ATOM 0 HB3 ASN A 40 2.242 -9.999 -12.178 1.00 0.84 H new ATOM 0 HD21 ASN A 40 6.026 -8.791 -13.227 1.00 1.68 H new ATOM 0 HD22 ASN A 40 5.640 -9.308 -11.582 1.00 1.68 H new ATOM 642 N LYS A 41 0.318 -8.972 -10.251 1.00 0.56 N ATOM 643 CA LYS A 41 -1.175 -9.090 -10.218 1.00 0.53 C ATOM 644 C LYS A 41 -1.755 -8.170 -9.129 1.00 0.43 C ATOM 645 O LYS A 41 -2.919 -8.276 -8.779 1.00 0.44 O ATOM 646 CB LYS A 41 -1.565 -10.544 -9.928 1.00 0.59 C ATOM 647 CG LYS A 41 -2.728 -10.949 -10.837 1.00 0.71 C ATOM 648 CD LYS A 41 -3.472 -12.143 -10.230 1.00 0.74 C ATOM 649 CE LYS A 41 -4.589 -11.637 -9.312 1.00 0.87 C ATOM 650 NZ LYS A 41 -5.025 -12.729 -8.393 1.00 1.15 N ATOM 0 H LYS A 41 0.809 -9.520 -9.545 1.00 0.56 H new ATOM 0 HA LYS A 41 -1.579 -8.789 -11.185 1.00 0.53 H new ATOM 0 HB2 LYS A 41 -0.712 -11.201 -10.096 1.00 0.59 H new ATOM 0 HB3 LYS A 41 -1.851 -10.654 -8.882 1.00 0.59 H new ATOM 0 HG2 LYS A 41 -3.412 -10.109 -10.964 1.00 0.71 H new ATOM 0 HG3 LYS A 41 -2.354 -11.208 -11.828 1.00 0.71 H new ATOM 0 HD2 LYS A 41 -3.891 -12.764 -11.022 1.00 0.74 H new ATOM 0 HD3 LYS A 41 -2.779 -12.768 -9.667 1.00 0.74 H new ATOM 0 HE2 LYS A 41 -4.237 -10.782 -8.734 1.00 0.87 H new ATOM 0 HE3 LYS A 41 -5.434 -11.293 -9.908 1.00 0.87 H new ATOM 0 HZ1 LYS A 41 -5.783 -12.379 -7.773 1.00 1.15 H new ATOM 0 HZ2 LYS A 41 -5.378 -13.532 -8.951 1.00 1.15 H new ATOM 0 HZ3 LYS A 41 -4.219 -13.038 -7.813 1.00 1.15 H new ATOM 664 N ILE A 42 -0.962 -7.262 -8.596 1.00 0.39 N ATOM 665 CA ILE A 42 -1.477 -6.336 -7.541 1.00 0.33 C ATOM 666 C ILE A 42 -1.851 -4.991 -8.175 1.00 0.34 C ATOM 667 O ILE A 42 -1.065 -4.384 -8.882 1.00 0.46 O ATOM 668 CB ILE A 42 -0.406 -6.103 -6.465 1.00 0.35 C ATOM 669 CG1 ILE A 42 0.002 -7.436 -5.830 1.00 0.38 C ATOM 670 CG2 ILE A 42 -0.975 -5.188 -5.379 1.00 0.43 C ATOM 671 CD1 ILE A 42 1.291 -7.245 -5.022 1.00 0.45 C ATOM 0 H ILE A 42 0.017 -7.127 -8.849 1.00 0.39 H new ATOM 0 HA ILE A 42 -2.356 -6.787 -7.080 1.00 0.33 H new ATOM 0 HB ILE A 42 0.467 -5.642 -6.926 1.00 0.35 H new ATOM 0 HG12 ILE A 42 -0.795 -7.801 -5.182 1.00 0.38 H new ATOM 0 HG13 ILE A 42 0.154 -8.188 -6.604 1.00 0.38 H new ATOM 0 HG21 ILE A 42 -0.219 -5.019 -4.612 1.00 0.43 H new ATOM 0 HG22 ILE A 42 -1.263 -4.234 -5.821 1.00 0.43 H new ATOM 0 HG23 ILE A 42 -1.849 -5.658 -4.929 1.00 0.43 H new ATOM 0 HD11 ILE A 42 1.581 -8.194 -4.570 1.00 0.45 H new ATOM 0 HD12 ILE A 42 2.086 -6.899 -5.682 1.00 0.45 H new ATOM 0 HD13 ILE A 42 1.123 -6.506 -4.238 1.00 0.45 H new ATOM 683 N VAL A 43 -3.045 -4.523 -7.910 1.00 0.33 N ATOM 684 CA VAL A 43 -3.498 -3.213 -8.469 1.00 0.37 C ATOM 685 C VAL A 43 -3.812 -2.270 -7.301 1.00 0.33 C ATOM 686 O VAL A 43 -4.775 -2.463 -6.580 1.00 0.38 O ATOM 687 CB VAL A 43 -4.755 -3.424 -9.326 1.00 0.44 C ATOM 688 CG1 VAL A 43 -5.177 -2.093 -9.957 1.00 0.58 C ATOM 689 CG2 VAL A 43 -4.459 -4.440 -10.435 1.00 0.57 C ATOM 0 H VAL A 43 -3.732 -4.998 -7.324 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.718 -2.781 -9.095 1.00 0.37 H new ATOM 0 HB VAL A 43 -5.560 -3.799 -8.694 1.00 0.44 H new ATOM 0 HG11 VAL A 43 -6.069 -2.245 -10.565 1.00 0.58 H new ATOM 0 HG12 VAL A 43 -5.393 -1.370 -9.171 1.00 0.58 H new ATOM 0 HG13 VAL A 43 -4.370 -1.716 -10.585 1.00 0.58 H new ATOM 0 HG21 VAL A 43 -5.353 -4.588 -11.041 1.00 0.57 H new ATOM 0 HG22 VAL A 43 -3.651 -4.067 -11.064 1.00 0.57 H new ATOM 0 HG23 VAL A 43 -4.162 -5.389 -9.989 1.00 0.57 H new ATOM 699 N LEU A 44 -3.000 -1.261 -7.097 1.00 0.33 N ATOM 700 CA LEU A 44 -3.243 -0.315 -5.963 1.00 0.34 C ATOM 701 C LEU A 44 -3.954 0.943 -6.473 1.00 0.35 C ATOM 702 O LEU A 44 -3.619 1.477 -7.515 1.00 0.41 O ATOM 703 CB LEU A 44 -1.906 0.070 -5.324 1.00 0.42 C ATOM 704 CG LEU A 44 -1.360 -1.120 -4.529 1.00 0.54 C ATOM 705 CD1 LEU A 44 0.159 -1.195 -4.696 1.00 0.65 C ATOM 706 CD2 LEU A 44 -1.705 -0.946 -3.047 1.00 0.65 C ATOM 0 H LEU A 44 -2.180 -1.052 -7.666 1.00 0.33 H new ATOM 0 HA LEU A 44 -3.874 -0.801 -5.219 1.00 0.34 H new ATOM 0 HB2 LEU A 44 -1.193 0.364 -6.095 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -2.039 0.930 -4.667 1.00 0.42 H new ATOM 0 HG LEU A 44 -1.810 -2.041 -4.900 1.00 0.54 H new ATOM 0 HD11 LEU A 44 0.546 -2.042 -4.130 1.00 0.65 H new ATOM 0 HD12 LEU A 44 0.403 -1.322 -5.751 1.00 0.65 H new ATOM 0 HD13 LEU A 44 0.612 -0.275 -4.327 1.00 0.65 H new ATOM 0 HD21 LEU A 44 -1.317 -1.793 -2.481 1.00 0.65 H new ATOM 0 HD22 LEU A 44 -1.257 -0.025 -2.675 1.00 0.65 H new ATOM 0 HD23 LEU A 44 -2.787 -0.897 -2.929 1.00 0.65 H new ATOM 718 N GLN A 45 -4.937 1.414 -5.740 1.00 0.42 N ATOM 719 CA GLN A 45 -5.686 2.636 -6.168 1.00 0.47 C ATOM 720 C GLN A 45 -5.588 3.704 -5.072 1.00 0.50 C ATOM 721 O GLN A 45 -6.008 3.495 -3.948 1.00 0.65 O ATOM 722 CB GLN A 45 -7.162 2.288 -6.413 1.00 0.55 C ATOM 723 CG GLN A 45 -7.274 0.951 -7.154 1.00 0.57 C ATOM 724 CD GLN A 45 -8.130 1.128 -8.410 1.00 1.11 C ATOM 725 OE1 GLN A 45 -7.613 1.165 -9.510 1.00 1.51 O ATOM 726 NE2 GLN A 45 -9.426 1.243 -8.293 1.00 1.62 N ATOM 0 H GLN A 45 -5.252 1.002 -4.862 1.00 0.42 H new ATOM 0 HA GLN A 45 -5.251 3.017 -7.092 1.00 0.47 H new ATOM 0 HB2 GLN A 45 -7.692 2.231 -5.463 1.00 0.55 H new ATOM 0 HB3 GLN A 45 -7.637 3.077 -6.996 1.00 0.55 H new ATOM 0 HG2 GLN A 45 -6.282 0.591 -7.426 1.00 0.57 H new ATOM 0 HG3 GLN A 45 -7.719 0.199 -6.502 1.00 0.57 H new ATOM 0 HE21 GLN A 45 -9.860 1.212 -7.370 1.00 1.62 H new ATOM 0 HE22 GLN A 45 -10.004 1.364 -9.124 1.00 1.62 H new ATOM 735 N LYS A 46 -5.031 4.848 -5.396 1.00 0.52 N ATOM 736 CA LYS A 46 -4.896 5.940 -4.385 1.00 0.58 C ATOM 737 C LYS A 46 -5.898 7.059 -4.702 1.00 0.63 C ATOM 738 O LYS A 46 -5.601 7.988 -5.434 1.00 0.68 O ATOM 739 CB LYS A 46 -3.466 6.491 -4.421 1.00 0.61 C ATOM 740 CG LYS A 46 -3.187 7.278 -3.135 1.00 0.77 C ATOM 741 CD LYS A 46 -1.815 6.886 -2.577 1.00 0.67 C ATOM 742 CE LYS A 46 -0.723 7.691 -3.285 1.00 0.75 C ATOM 743 NZ LYS A 46 0.460 6.818 -3.533 1.00 0.78 N ATOM 0 H LYS A 46 -4.664 5.071 -6.321 1.00 0.52 H new ATOM 0 HA LYS A 46 -5.104 5.547 -3.390 1.00 0.58 H new ATOM 0 HB2 LYS A 46 -2.752 5.673 -4.521 1.00 0.61 H new ATOM 0 HB3 LYS A 46 -3.336 7.136 -5.290 1.00 0.61 H new ATOM 0 HG2 LYS A 46 -3.215 8.348 -3.339 1.00 0.77 H new ATOM 0 HG3 LYS A 46 -3.962 7.074 -2.397 1.00 0.77 H new ATOM 0 HD2 LYS A 46 -1.781 7.073 -1.504 1.00 0.67 H new ATOM 0 HD3 LYS A 46 -1.645 5.819 -2.720 1.00 0.67 H new ATOM 0 HE2 LYS A 46 -1.101 8.085 -4.228 1.00 0.75 H new ATOM 0 HE3 LYS A 46 -0.435 8.547 -2.675 1.00 0.75 H new ATOM 0 HZ1 LYS A 46 1.278 7.406 -3.791 1.00 0.78 H new ATOM 0 HZ2 LYS A 46 0.680 6.278 -2.672 1.00 0.78 H new ATOM 0 HZ3 LYS A 46 0.249 6.159 -4.309 1.00 0.78 H new ATOM 757 N GLY A 47 -7.087 6.970 -4.150 1.00 0.81 N ATOM 758 CA GLY A 47 -8.128 8.016 -4.400 1.00 0.97 C ATOM 759 C GLY A 47 -8.512 8.033 -5.884 1.00 0.94 C ATOM 760 O GLY A 47 -8.519 9.074 -6.515 1.00 1.07 O ATOM 0 H GLY A 47 -7.381 6.212 -3.534 1.00 0.81 H new ATOM 0 HA2 GLY A 47 -9.009 7.816 -3.791 1.00 0.97 H new ATOM 0 HA3 GLY A 47 -7.750 8.994 -4.103 1.00 0.97 H new ATOM 764 N GLY A 48 -8.829 6.886 -6.442 1.00 0.87 N ATOM 765 CA GLY A 48 -9.213 6.822 -7.888 1.00 0.91 C ATOM 766 C GLY A 48 -7.973 7.020 -8.767 1.00 0.81 C ATOM 767 O GLY A 48 -8.010 7.742 -9.745 1.00 0.98 O ATOM 0 H GLY A 48 -8.838 5.990 -5.955 1.00 0.87 H new ATOM 0 HA2 GLY A 48 -9.675 5.860 -8.108 1.00 0.91 H new ATOM 0 HA3 GLY A 48 -9.954 7.590 -8.111 1.00 0.91 H new ATOM 771 N SER A 49 -6.877 6.382 -8.422 1.00 0.63 N ATOM 772 CA SER A 49 -5.626 6.524 -9.230 1.00 0.59 C ATOM 773 C SER A 49 -4.880 5.186 -9.238 1.00 0.45 C ATOM 774 O SER A 49 -4.531 4.658 -8.199 1.00 0.42 O ATOM 775 CB SER A 49 -4.735 7.607 -8.612 1.00 0.64 C ATOM 776 OG SER A 49 -4.354 8.536 -9.618 1.00 1.15 O ATOM 0 H SER A 49 -6.797 5.767 -7.612 1.00 0.63 H new ATOM 0 HA SER A 49 -5.879 6.809 -10.251 1.00 0.59 H new ATOM 0 HB2 SER A 49 -5.269 8.119 -7.812 1.00 0.64 H new ATOM 0 HB3 SER A 49 -3.850 7.154 -8.166 1.00 0.64 H new ATOM 0 HG SER A 49 -3.786 9.230 -9.224 1.00 1.15 H new ATOM 782 N VAL A 50 -4.636 4.635 -10.403 1.00 0.53 N ATOM 783 CA VAL A 50 -3.920 3.325 -10.481 1.00 0.54 C ATOM 784 C VAL A 50 -2.413 3.550 -10.295 1.00 0.46 C ATOM 785 O VAL A 50 -1.811 4.386 -10.948 1.00 0.54 O ATOM 786 CB VAL A 50 -4.198 2.663 -11.843 1.00 0.75 C ATOM 787 CG1 VAL A 50 -3.593 3.500 -12.978 1.00 0.88 C ATOM 788 CG2 VAL A 50 -3.588 1.255 -11.862 1.00 0.88 C ATOM 0 H VAL A 50 -4.902 5.037 -11.302 1.00 0.53 H new ATOM 0 HA VAL A 50 -4.278 2.666 -9.690 1.00 0.54 H new ATOM 0 HB VAL A 50 -5.276 2.599 -11.990 1.00 0.75 H new ATOM 0 HG11 VAL A 50 -3.798 3.019 -13.934 1.00 0.88 H new ATOM 0 HG12 VAL A 50 -4.035 4.496 -12.971 1.00 0.88 H new ATOM 0 HG13 VAL A 50 -2.515 3.580 -12.836 1.00 0.88 H new ATOM 0 HG21 VAL A 50 -3.785 0.786 -12.826 1.00 0.88 H new ATOM 0 HG22 VAL A 50 -2.512 1.323 -11.704 1.00 0.88 H new ATOM 0 HG23 VAL A 50 -4.034 0.655 -11.069 1.00 0.88 H new ATOM 798 N LEU A 51 -1.808 2.809 -9.398 1.00 0.42 N ATOM 799 CA LEU A 51 -0.343 2.964 -9.150 1.00 0.40 C ATOM 800 C LEU A 51 0.419 1.916 -9.965 1.00 0.40 C ATOM 801 O LEU A 51 0.250 0.724 -9.771 1.00 0.47 O ATOM 802 CB LEU A 51 -0.043 2.774 -7.655 1.00 0.45 C ATOM 803 CG LEU A 51 -1.054 3.556 -6.806 1.00 0.44 C ATOM 804 CD1 LEU A 51 -0.749 3.340 -5.324 1.00 0.54 C ATOM 805 CD2 LEU A 51 -0.959 5.050 -7.126 1.00 0.41 C ATOM 0 H LEU A 51 -2.269 2.102 -8.826 1.00 0.42 H new ATOM 0 HA LEU A 51 -0.028 3.963 -9.451 1.00 0.40 H new ATOM 0 HB2 LEU A 51 -0.086 1.715 -7.400 1.00 0.45 H new ATOM 0 HB3 LEU A 51 0.969 3.115 -7.434 1.00 0.45 H new ATOM 0 HG LEU A 51 -2.059 3.201 -7.032 1.00 0.44 H new ATOM 0 HD11 LEU A 51 -1.467 3.895 -4.720 1.00 0.54 H new ATOM 0 HD12 LEU A 51 -0.821 2.278 -5.089 1.00 0.54 H new ATOM 0 HD13 LEU A 51 0.259 3.692 -5.105 1.00 0.54 H new ATOM 0 HD21 LEU A 51 -1.680 5.599 -6.519 1.00 0.41 H new ATOM 0 HD22 LEU A 51 0.047 5.406 -6.905 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -1.177 5.210 -8.182 1.00 0.41 H new ATOM 817 N LYS A 52 1.250 2.354 -10.879 1.00 0.42 N ATOM 818 CA LYS A 52 2.027 1.395 -11.720 1.00 0.44 C ATOM 819 C LYS A 52 3.498 1.404 -11.294 1.00 0.39 C ATOM 820 O LYS A 52 4.027 2.421 -10.880 1.00 0.37 O ATOM 821 CB LYS A 52 1.919 1.798 -13.194 1.00 0.50 C ATOM 822 CG LYS A 52 1.599 0.564 -14.040 1.00 0.65 C ATOM 823 CD LYS A 52 0.107 0.239 -13.933 1.00 0.82 C ATOM 824 CE LYS A 52 -0.069 -1.238 -13.566 1.00 1.14 C ATOM 825 NZ LYS A 52 -1.001 -1.363 -12.407 1.00 1.34 N ATOM 0 H LYS A 52 1.423 3.339 -11.078 1.00 0.42 H new ATOM 0 HA LYS A 52 1.620 0.393 -11.587 1.00 0.44 H new ATOM 0 HB2 LYS A 52 1.140 2.550 -13.320 1.00 0.50 H new ATOM 0 HB3 LYS A 52 2.854 2.248 -13.528 1.00 0.50 H new ATOM 0 HG2 LYS A 52 1.868 0.745 -15.081 1.00 0.65 H new ATOM 0 HG3 LYS A 52 2.192 -0.286 -13.700 1.00 0.65 H new ATOM 0 HD2 LYS A 52 -0.360 0.871 -13.178 1.00 0.82 H new ATOM 0 HD3 LYS A 52 -0.391 0.452 -14.879 1.00 0.82 H new ATOM 0 HE2 LYS A 52 -0.460 -1.790 -14.420 1.00 1.14 H new ATOM 0 HE3 LYS A 52 0.897 -1.678 -13.317 1.00 1.14 H new ATOM 0 HZ1 LYS A 52 -1.117 -2.367 -12.162 1.00 1.34 H new ATOM 0 HZ2 LYS A 52 -0.611 -0.850 -11.591 1.00 1.34 H new ATOM 0 HZ3 LYS A 52 -1.925 -0.959 -12.660 1.00 1.34 H new ATOM 839 N ASP A 53 4.157 0.274 -11.402 1.00 0.41 N ATOM 840 CA ASP A 53 5.601 0.180 -11.015 1.00 0.39 C ATOM 841 C ASP A 53 6.438 1.188 -11.821 1.00 0.37 C ATOM 842 O ASP A 53 7.474 1.642 -11.367 1.00 0.40 O ATOM 843 CB ASP A 53 6.113 -1.243 -11.288 1.00 0.45 C ATOM 844 CG ASP A 53 5.975 -1.578 -12.781 1.00 0.51 C ATOM 845 OD1 ASP A 53 4.904 -2.011 -13.176 1.00 0.65 O ATOM 846 OD2 ASP A 53 6.944 -1.398 -13.502 1.00 0.55 O ATOM 0 H ASP A 53 3.751 -0.596 -11.746 1.00 0.41 H new ATOM 0 HA ASP A 53 5.697 0.410 -9.954 1.00 0.39 H new ATOM 0 HB2 ASP A 53 7.156 -1.327 -10.984 1.00 0.45 H new ATOM 0 HB3 ASP A 53 5.549 -1.961 -10.693 1.00 0.45 H new ATOM 851 N HIS A 54 5.996 1.537 -13.010 1.00 0.37 N ATOM 852 CA HIS A 54 6.755 2.511 -13.857 1.00 0.41 C ATOM 853 C HIS A 54 6.745 3.910 -13.215 1.00 0.38 C ATOM 854 O HIS A 54 7.559 4.752 -13.552 1.00 0.47 O ATOM 855 CB HIS A 54 6.111 2.585 -15.245 1.00 0.48 C ATOM 856 CG HIS A 54 6.269 1.263 -15.947 1.00 0.58 C ATOM 857 ND1 HIS A 54 5.271 0.301 -15.942 1.00 0.73 N ATOM 858 CD2 HIS A 54 7.302 0.728 -16.677 1.00 0.83 C ATOM 859 CE1 HIS A 54 5.720 -0.753 -16.649 1.00 0.87 C ATOM 860 NE2 HIS A 54 6.953 -0.545 -17.119 1.00 0.92 N ATOM 0 H HIS A 54 5.136 1.185 -13.430 1.00 0.37 H new ATOM 0 HA HIS A 54 7.787 2.172 -13.942 1.00 0.41 H new ATOM 0 HB2 HIS A 54 5.054 2.835 -15.154 1.00 0.48 H new ATOM 0 HB3 HIS A 54 6.577 3.377 -15.831 1.00 0.48 H new ATOM 0 HD2 HIS A 54 8.242 1.220 -16.878 1.00 0.83 H new ATOM 0 HE1 HIS A 54 5.152 -1.657 -16.816 1.00 0.87 H new ATOM 0 HE2 HIS A 54 7.517 -1.182 -17.681 1.00 0.92 H new ATOM 868 N ILE A 55 5.836 4.164 -12.298 1.00 0.36 N ATOM 869 CA ILE A 55 5.773 5.505 -11.637 1.00 0.35 C ATOM 870 C ILE A 55 6.227 5.375 -10.177 1.00 0.35 C ATOM 871 O ILE A 55 6.032 4.349 -9.544 1.00 0.42 O ATOM 872 CB ILE A 55 4.332 6.037 -11.693 1.00 0.36 C ATOM 873 CG1 ILE A 55 3.874 6.122 -13.155 1.00 0.47 C ATOM 874 CG2 ILE A 55 4.269 7.434 -11.069 1.00 0.40 C ATOM 875 CD1 ILE A 55 3.133 4.840 -13.540 1.00 0.53 C ATOM 0 H ILE A 55 5.134 3.496 -11.980 1.00 0.36 H new ATOM 0 HA ILE A 55 6.431 6.202 -12.156 1.00 0.35 H new ATOM 0 HB ILE A 55 3.681 5.360 -11.139 1.00 0.36 H new ATOM 0 HG12 ILE A 55 3.222 6.985 -13.292 1.00 0.47 H new ATOM 0 HG13 ILE A 55 4.735 6.266 -13.808 1.00 0.47 H new ATOM 0 HG21 ILE A 55 3.245 7.806 -11.112 1.00 0.40 H new ATOM 0 HG22 ILE A 55 4.594 7.383 -10.030 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.923 8.109 -11.621 1.00 0.40 H new ATOM 0 HD11 ILE A 55 2.810 4.905 -14.579 1.00 0.53 H new ATOM 0 HD12 ILE A 55 3.798 3.985 -13.420 1.00 0.53 H new ATOM 0 HD13 ILE A 55 2.262 4.716 -12.896 1.00 0.53 H new ATOM 887 N SER A 56 6.839 6.407 -9.643 1.00 0.37 N ATOM 888 CA SER A 56 7.321 6.357 -8.226 1.00 0.41 C ATOM 889 C SER A 56 6.205 6.787 -7.263 1.00 0.36 C ATOM 890 O SER A 56 5.280 7.488 -7.638 1.00 0.37 O ATOM 891 CB SER A 56 8.528 7.290 -8.062 1.00 0.50 C ATOM 892 OG SER A 56 8.157 8.620 -8.410 1.00 0.56 O ATOM 0 H SER A 56 7.025 7.284 -10.130 1.00 0.37 H new ATOM 0 HA SER A 56 7.612 5.333 -7.990 1.00 0.41 H new ATOM 0 HB2 SER A 56 8.886 7.260 -7.033 1.00 0.50 H new ATOM 0 HB3 SER A 56 9.349 6.954 -8.695 1.00 0.50 H new ATOM 0 HG SER A 56 8.929 9.214 -8.303 1.00 0.56 H new ATOM 898 N LEU A 57 6.301 6.376 -6.017 1.00 0.36 N ATOM 899 CA LEU A 57 5.266 6.757 -5.003 1.00 0.35 C ATOM 900 C LEU A 57 5.235 8.283 -4.851 1.00 0.33 C ATOM 901 O LEU A 57 4.182 8.875 -4.705 1.00 0.38 O ATOM 902 CB LEU A 57 5.608 6.116 -3.653 1.00 0.41 C ATOM 903 CG LEU A 57 5.222 4.635 -3.671 1.00 0.45 C ATOM 904 CD1 LEU A 57 6.002 3.890 -2.586 1.00 0.54 C ATOM 905 CD2 LEU A 57 3.719 4.495 -3.406 1.00 0.66 C ATOM 0 H LEU A 57 7.056 5.791 -5.660 1.00 0.36 H new ATOM 0 HA LEU A 57 4.289 6.405 -5.334 1.00 0.35 H new ATOM 0 HB2 LEU A 57 6.674 6.221 -3.449 1.00 0.41 H new ATOM 0 HB3 LEU A 57 5.078 6.630 -2.851 1.00 0.41 H new ATOM 0 HG LEU A 57 5.461 4.210 -4.646 1.00 0.45 H new ATOM 0 HD11 LEU A 57 5.727 2.835 -2.599 1.00 0.54 H new ATOM 0 HD12 LEU A 57 7.071 3.988 -2.774 1.00 0.54 H new ATOM 0 HD13 LEU A 57 5.765 4.315 -1.611 1.00 0.54 H new ATOM 0 HD21 LEU A 57 3.444 3.440 -3.419 1.00 0.66 H new ATOM 0 HD22 LEU A 57 3.480 4.920 -2.431 1.00 0.66 H new ATOM 0 HD23 LEU A 57 3.162 5.025 -4.179 1.00 0.66 H new ATOM 917 N GLU A 58 6.389 8.919 -4.891 1.00 0.32 N ATOM 918 CA GLU A 58 6.451 10.410 -4.761 1.00 0.36 C ATOM 919 C GLU A 58 5.610 11.063 -5.866 1.00 0.36 C ATOM 920 O GLU A 58 5.002 12.097 -5.657 1.00 0.40 O ATOM 921 CB GLU A 58 7.906 10.872 -4.884 1.00 0.43 C ATOM 922 CG GLU A 58 8.102 12.172 -4.096 1.00 0.62 C ATOM 923 CD GLU A 58 8.126 11.867 -2.594 1.00 0.82 C ATOM 924 OE1 GLU A 58 9.156 11.418 -2.114 1.00 0.96 O ATOM 925 OE2 GLU A 58 7.115 12.091 -1.947 1.00 0.96 O ATOM 0 H GLU A 58 7.294 8.463 -5.009 1.00 0.32 H new ATOM 0 HA GLU A 58 6.056 10.704 -3.789 1.00 0.36 H new ATOM 0 HB2 GLU A 58 8.576 10.101 -4.505 1.00 0.43 H new ATOM 0 HB3 GLU A 58 8.161 11.028 -5.932 1.00 0.43 H new ATOM 0 HG2 GLU A 58 9.034 12.652 -4.394 1.00 0.62 H new ATOM 0 HG3 GLU A 58 7.297 12.871 -4.322 1.00 0.62 H new ATOM 932 N ASP A 59 5.566 10.459 -7.036 1.00 0.36 N ATOM 933 CA ASP A 59 4.756 11.029 -8.156 1.00 0.39 C ATOM 934 C ASP A 59 3.272 11.014 -7.765 1.00 0.33 C ATOM 935 O ASP A 59 2.568 11.990 -7.944 1.00 0.36 O ATOM 936 CB ASP A 59 4.965 10.187 -9.421 1.00 0.46 C ATOM 937 CG ASP A 59 4.514 10.979 -10.652 1.00 0.87 C ATOM 938 OD1 ASP A 59 5.326 11.717 -11.187 1.00 1.31 O ATOM 939 OD2 ASP A 59 3.366 10.832 -11.039 1.00 1.16 O ATOM 0 H ASP A 59 6.059 9.594 -7.259 1.00 0.36 H new ATOM 0 HA ASP A 59 5.071 12.054 -8.351 1.00 0.39 H new ATOM 0 HB2 ASP A 59 6.016 9.914 -9.518 1.00 0.46 H new ATOM 0 HB3 ASP A 59 4.400 9.258 -9.348 1.00 0.46 H new ATOM 944 N TYR A 60 2.805 9.914 -7.218 1.00 0.33 N ATOM 945 CA TYR A 60 1.371 9.821 -6.792 1.00 0.33 C ATOM 946 C TYR A 60 1.156 10.628 -5.500 1.00 0.32 C ATOM 947 O TYR A 60 0.034 10.941 -5.142 1.00 0.37 O ATOM 948 CB TYR A 60 1.009 8.355 -6.533 1.00 0.39 C ATOM 949 CG TYR A 60 0.992 7.591 -7.836 1.00 0.34 C ATOM 950 CD1 TYR A 60 0.015 7.867 -8.801 1.00 0.40 C ATOM 951 CD2 TYR A 60 1.952 6.599 -8.077 1.00 0.36 C ATOM 952 CE1 TYR A 60 -0.002 7.154 -10.005 1.00 0.41 C ATOM 953 CE2 TYR A 60 1.934 5.886 -9.280 1.00 0.38 C ATOM 954 CZ TYR A 60 0.958 6.163 -10.246 1.00 0.38 C ATOM 955 OH TYR A 60 0.942 5.453 -11.433 1.00 0.44 O ATOM 0 H TYR A 60 3.358 9.074 -7.048 1.00 0.33 H new ATOM 0 HA TYR A 60 0.738 10.225 -7.582 1.00 0.33 H new ATOM 0 HB2 TYR A 60 1.731 7.909 -5.849 1.00 0.39 H new ATOM 0 HB3 TYR A 60 0.033 8.292 -6.052 1.00 0.39 H new ATOM 0 HD1 TYR A 60 -0.726 8.631 -8.616 1.00 0.40 H new ATOM 0 HD2 TYR A 60 2.706 6.385 -7.334 1.00 0.36 H new ATOM 0 HE1 TYR A 60 -0.756 7.368 -10.749 1.00 0.41 H new ATOM 0 HE2 TYR A 60 2.674 5.121 -9.465 1.00 0.38 H new ATOM 0 HH TYR A 60 0.094 4.968 -11.513 1.00 0.44 H new ATOM 965 N GLU A 61 2.226 10.961 -4.800 1.00 0.31 N ATOM 966 CA GLU A 61 2.119 11.743 -3.528 1.00 0.37 C ATOM 967 C GLU A 61 1.545 10.851 -2.417 1.00 0.33 C ATOM 968 O GLU A 61 0.387 10.958 -2.048 1.00 0.43 O ATOM 969 CB GLU A 61 1.229 12.979 -3.740 1.00 0.47 C ATOM 970 CG GLU A 61 1.951 14.229 -3.223 1.00 0.77 C ATOM 971 CD GLU A 61 3.078 14.612 -4.187 1.00 1.32 C ATOM 972 OE1 GLU A 61 2.780 15.193 -5.219 1.00 1.60 O ATOM 973 OE2 GLU A 61 4.222 14.319 -3.877 1.00 1.78 O ATOM 0 H GLU A 61 3.180 10.717 -5.066 1.00 0.31 H new ATOM 0 HA GLU A 61 3.112 12.080 -3.230 1.00 0.37 H new ATOM 0 HB2 GLU A 61 0.995 13.094 -4.798 1.00 0.47 H new ATOM 0 HB3 GLU A 61 0.282 12.851 -3.216 1.00 0.47 H new ATOM 0 HG2 GLU A 61 1.246 15.054 -3.127 1.00 0.77 H new ATOM 0 HG3 GLU A 61 2.358 14.041 -2.230 1.00 0.77 H new ATOM 980 N VAL A 62 2.360 9.973 -1.880 1.00 0.30 N ATOM 981 CA VAL A 62 1.891 9.068 -0.786 1.00 0.28 C ATOM 982 C VAL A 62 2.196 9.719 0.573 1.00 0.31 C ATOM 983 O VAL A 62 3.207 10.381 0.739 1.00 0.41 O ATOM 984 CB VAL A 62 2.598 7.707 -0.905 1.00 0.32 C ATOM 985 CG1 VAL A 62 4.066 7.826 -0.479 1.00 0.39 C ATOM 986 CG2 VAL A 62 1.888 6.682 -0.015 1.00 0.39 C ATOM 0 H VAL A 62 3.334 9.845 -2.155 1.00 0.30 H new ATOM 0 HA VAL A 62 0.816 8.909 -0.869 1.00 0.28 H new ATOM 0 HB VAL A 62 2.560 7.381 -1.945 1.00 0.32 H new ATOM 0 HG11 VAL A 62 4.551 6.854 -0.569 1.00 0.39 H new ATOM 0 HG12 VAL A 62 4.574 8.546 -1.121 1.00 0.39 H new ATOM 0 HG13 VAL A 62 4.118 8.163 0.556 1.00 0.39 H new ATOM 0 HG21 VAL A 62 2.389 5.718 -0.100 1.00 0.39 H new ATOM 0 HG22 VAL A 62 1.919 7.017 1.022 1.00 0.39 H new ATOM 0 HG23 VAL A 62 0.850 6.581 -0.333 1.00 0.39 H new ATOM 996 N HIS A 63 1.322 9.549 1.539 1.00 0.32 N ATOM 997 CA HIS A 63 1.549 10.171 2.883 1.00 0.38 C ATOM 998 C HIS A 63 1.487 9.102 3.985 1.00 0.32 C ATOM 999 O HIS A 63 1.029 7.993 3.767 1.00 0.34 O ATOM 1000 CB HIS A 63 0.471 11.228 3.140 1.00 0.51 C ATOM 1001 CG HIS A 63 0.625 12.355 2.153 1.00 0.67 C ATOM 1002 ND1 HIS A 63 1.639 13.296 2.256 1.00 0.99 N ATOM 1003 CD2 HIS A 63 -0.095 12.703 1.036 1.00 0.88 C ATOM 1004 CE1 HIS A 63 1.502 14.154 1.229 1.00 1.13 C ATOM 1005 NE2 HIS A 63 0.461 13.839 0.455 1.00 1.05 N ATOM 0 H HIS A 63 0.462 9.007 1.454 1.00 0.32 H new ATOM 0 HA HIS A 63 2.536 10.634 2.896 1.00 0.38 H new ATOM 0 HB2 HIS A 63 -0.519 10.782 3.047 1.00 0.51 H new ATOM 0 HB3 HIS A 63 0.555 11.608 4.158 1.00 0.51 H new ATOM 0 HD2 HIS A 63 -0.961 12.175 0.665 1.00 0.88 H new ATOM 0 HE1 HIS A 63 2.155 14.996 1.052 1.00 1.13 H new ATOM 0 HE2 HIS A 63 0.142 14.326 -0.382 1.00 1.05 H new ATOM 1013 N ASP A 64 1.944 9.441 5.170 1.00 0.32 N ATOM 1014 CA ASP A 64 1.920 8.467 6.305 1.00 0.29 C ATOM 1015 C ASP A 64 0.471 8.223 6.744 1.00 0.28 C ATOM 1016 O ASP A 64 -0.343 9.131 6.762 1.00 0.34 O ATOM 1017 CB ASP A 64 2.722 9.033 7.485 1.00 0.34 C ATOM 1018 CG ASP A 64 3.401 7.889 8.249 1.00 0.47 C ATOM 1019 OD1 ASP A 64 2.697 7.122 8.887 1.00 0.78 O ATOM 1020 OD2 ASP A 64 4.616 7.801 8.186 1.00 0.65 O ATOM 0 H ASP A 64 2.334 10.356 5.398 1.00 0.32 H new ATOM 0 HA ASP A 64 2.364 7.526 5.981 1.00 0.29 H new ATOM 0 HB2 ASP A 64 3.472 9.736 7.123 1.00 0.34 H new ATOM 0 HB3 ASP A 64 2.062 9.587 8.153 1.00 0.34 H new ATOM 1025 N GLN A 65 0.151 6.997 7.094 1.00 0.29 N ATOM 1026 CA GLN A 65 -1.240 6.652 7.535 1.00 0.33 C ATOM 1027 C GLN A 65 -2.241 6.996 6.419 1.00 0.33 C ATOM 1028 O GLN A 65 -3.340 7.458 6.675 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.588 7.426 8.816 1.00 0.42 C ATOM 1030 CG GLN A 65 -0.654 6.997 9.953 1.00 0.52 C ATOM 1031 CD GLN A 65 -0.934 5.540 10.333 1.00 0.61 C ATOM 1032 OE1 GLN A 65 -1.888 5.254 11.031 1.00 0.82 O ATOM 1033 NE2 GLN A 65 -0.137 4.600 9.901 1.00 0.73 N ATOM 0 H GLN A 65 0.803 6.212 7.092 1.00 0.29 H new ATOM 0 HA GLN A 65 -1.296 5.583 7.743 1.00 0.33 H new ATOM 0 HB2 GLN A 65 -1.494 8.498 8.641 1.00 0.42 H new ATOM 0 HB3 GLN A 65 -2.625 7.238 9.095 1.00 0.42 H new ATOM 0 HG2 GLN A 65 0.385 7.108 9.644 1.00 0.52 H new ATOM 0 HG3 GLN A 65 -0.800 7.643 10.819 1.00 0.52 H new ATOM 0 HE21 GLN A 65 0.663 4.839 9.316 1.00 0.73 H new ATOM 0 HE22 GLN A 65 -0.315 3.627 10.149 1.00 0.73 H new ATOM 1042 N THR A 66 -1.866 6.766 5.180 1.00 0.29 N ATOM 1043 CA THR A 66 -2.784 7.071 4.039 1.00 0.33 C ATOM 1044 C THR A 66 -3.668 5.850 3.748 1.00 0.31 C ATOM 1045 O THR A 66 -3.307 4.722 4.043 1.00 0.34 O ATOM 1046 CB THR A 66 -1.955 7.432 2.793 1.00 0.37 C ATOM 1047 OG1 THR A 66 -2.812 7.961 1.790 1.00 0.47 O ATOM 1048 CG2 THR A 66 -1.243 6.188 2.253 1.00 0.38 C ATOM 0 H THR A 66 -0.961 6.379 4.912 1.00 0.29 H new ATOM 0 HA THR A 66 -3.421 7.916 4.300 1.00 0.33 H new ATOM 0 HB THR A 66 -1.208 8.177 3.068 1.00 0.37 H new ATOM 0 HG1 THR A 66 -2.284 8.192 0.997 1.00 0.47 H new ATOM 0 HG21 THR A 66 -0.660 6.456 1.372 1.00 0.38 H new ATOM 0 HG22 THR A 66 -0.579 5.787 3.019 1.00 0.38 H new ATOM 0 HG23 THR A 66 -1.982 5.434 1.983 1.00 0.38 H new ATOM 1056 N ASN A 67 -4.824 6.071 3.170 1.00 0.35 N ATOM 1057 CA ASN A 67 -5.743 4.938 2.852 1.00 0.36 C ATOM 1058 C ASN A 67 -5.579 4.551 1.378 1.00 0.35 C ATOM 1059 O ASN A 67 -5.805 5.351 0.488 1.00 0.56 O ATOM 1060 CB ASN A 67 -7.191 5.360 3.118 1.00 0.48 C ATOM 1061 CG ASN A 67 -7.746 4.575 4.311 1.00 1.00 C ATOM 1062 OD1 ASN A 67 -7.517 4.934 5.449 1.00 1.33 O ATOM 1063 ND2 ASN A 67 -8.473 3.512 4.095 1.00 1.60 N ATOM 0 H ASN A 67 -5.170 6.993 2.904 1.00 0.35 H new ATOM 0 HA ASN A 67 -5.499 4.082 3.481 1.00 0.36 H new ATOM 0 HB2 ASN A 67 -7.237 6.430 3.321 1.00 0.48 H new ATOM 0 HB3 ASN A 67 -7.802 5.177 2.234 1.00 0.48 H new ATOM 0 HD21 ASN A 67 -8.849 2.983 4.882 1.00 1.60 H new ATOM 0 HD22 ASN A 67 -8.665 3.211 3.140 1.00 1.60 H new ATOM 1070 N LEU A 68 -5.179 3.328 1.123 1.00 0.32 N ATOM 1071 CA LEU A 68 -4.985 2.867 -0.286 1.00 0.32 C ATOM 1072 C LEU A 68 -5.981 1.747 -0.614 1.00 0.32 C ATOM 1073 O LEU A 68 -6.505 1.086 0.267 1.00 0.40 O ATOM 1074 CB LEU A 68 -3.553 2.347 -0.452 1.00 0.34 C ATOM 1075 CG LEU A 68 -2.737 3.352 -1.270 1.00 0.52 C ATOM 1076 CD1 LEU A 68 -1.293 3.376 -0.764 1.00 0.69 C ATOM 1077 CD2 LEU A 68 -2.753 2.940 -2.744 1.00 0.84 C ATOM 0 H LEU A 68 -4.978 2.626 1.835 1.00 0.32 H new ATOM 0 HA LEU A 68 -5.156 3.701 -0.966 1.00 0.32 H new ATOM 0 HB2 LEU A 68 -3.093 2.198 0.525 1.00 0.34 H new ATOM 0 HB3 LEU A 68 -3.562 1.378 -0.951 1.00 0.34 H new ATOM 0 HG LEU A 68 -3.174 4.345 -1.163 1.00 0.52 H new ATOM 0 HD11 LEU A 68 -0.715 4.092 -1.348 1.00 0.69 H new ATOM 0 HD12 LEU A 68 -1.280 3.669 0.286 1.00 0.69 H new ATOM 0 HD13 LEU A 68 -0.854 2.384 -0.869 1.00 0.69 H new ATOM 0 HD21 LEU A 68 -2.173 3.654 -3.328 1.00 0.84 H new ATOM 0 HD22 LEU A 68 -2.317 1.946 -2.849 1.00 0.84 H new ATOM 0 HD23 LEU A 68 -3.781 2.925 -3.107 1.00 0.84 H new ATOM 1089 N GLU A 69 -6.243 1.535 -1.882 1.00 0.33 N ATOM 1090 CA GLU A 69 -7.206 0.468 -2.293 1.00 0.34 C ATOM 1091 C GLU A 69 -6.448 -0.698 -2.939 1.00 0.31 C ATOM 1092 O GLU A 69 -5.459 -0.504 -3.622 1.00 0.37 O ATOM 1093 CB GLU A 69 -8.201 1.049 -3.303 1.00 0.40 C ATOM 1094 CG GLU A 69 -9.626 0.898 -2.767 1.00 1.15 C ATOM 1095 CD GLU A 69 -9.913 2.007 -1.751 1.00 1.81 C ATOM 1096 OE1 GLU A 69 -9.558 1.835 -0.595 1.00 2.38 O ATOM 1097 OE2 GLU A 69 -10.485 3.010 -2.145 1.00 2.03 O ATOM 0 H GLU A 69 -5.828 2.059 -2.653 1.00 0.33 H new ATOM 0 HA GLU A 69 -7.739 0.105 -1.414 1.00 0.34 H new ATOM 0 HB2 GLU A 69 -7.979 2.101 -3.483 1.00 0.40 H new ATOM 0 HB3 GLU A 69 -8.105 0.535 -4.259 1.00 0.40 H new ATOM 0 HG2 GLU A 69 -10.341 0.949 -3.588 1.00 1.15 H new ATOM 0 HG3 GLU A 69 -9.747 -0.079 -2.298 1.00 1.15 H new ATOM 1104 N LEU A 70 -6.915 -1.906 -2.728 1.00 0.28 N ATOM 1105 CA LEU A 70 -6.237 -3.094 -3.331 1.00 0.27 C ATOM 1106 C LEU A 70 -7.165 -3.755 -4.357 1.00 0.27 C ATOM 1107 O LEU A 70 -8.363 -3.859 -4.154 1.00 0.32 O ATOM 1108 CB LEU A 70 -5.887 -4.107 -2.234 1.00 0.32 C ATOM 1109 CG LEU A 70 -4.929 -5.169 -2.792 1.00 0.35 C ATOM 1110 CD1 LEU A 70 -3.661 -4.499 -3.332 1.00 0.39 C ATOM 1111 CD2 LEU A 70 -4.548 -6.149 -1.679 1.00 0.48 C ATOM 0 H LEU A 70 -7.737 -2.119 -2.163 1.00 0.28 H new ATOM 0 HA LEU A 70 -5.323 -2.767 -3.826 1.00 0.27 H new ATOM 0 HB2 LEU A 70 -5.426 -3.596 -1.389 1.00 0.32 H new ATOM 0 HB3 LEU A 70 -6.795 -4.582 -1.862 1.00 0.32 H new ATOM 0 HG LEU A 70 -5.425 -5.705 -3.601 1.00 0.35 H new ATOM 0 HD11 LEU A 70 -2.987 -5.260 -3.726 1.00 0.39 H new ATOM 0 HD12 LEU A 70 -3.928 -3.803 -4.128 1.00 0.39 H new ATOM 0 HD13 LEU A 70 -3.165 -3.957 -2.527 1.00 0.39 H new ATOM 0 HD21 LEU A 70 -3.868 -6.903 -2.075 1.00 0.48 H new ATOM 0 HD22 LEU A 70 -4.058 -5.608 -0.870 1.00 0.48 H new ATOM 0 HD23 LEU A 70 -5.447 -6.635 -1.299 1.00 0.48 H new ATOM 1123 N TYR A 71 -6.608 -4.205 -5.453 1.00 0.28 N ATOM 1124 CA TYR A 71 -7.422 -4.872 -6.514 1.00 0.31 C ATOM 1125 C TYR A 71 -6.588 -5.983 -7.163 1.00 0.31 C ATOM 1126 O TYR A 71 -5.373 -5.904 -7.221 1.00 0.48 O ATOM 1127 CB TYR A 71 -7.825 -3.844 -7.577 1.00 0.35 C ATOM 1128 CG TYR A 71 -9.320 -3.631 -7.533 1.00 0.42 C ATOM 1129 CD1 TYR A 71 -10.181 -4.609 -8.046 1.00 0.73 C ATOM 1130 CD2 TYR A 71 -9.846 -2.458 -6.978 1.00 0.58 C ATOM 1131 CE1 TYR A 71 -11.567 -4.416 -8.000 1.00 0.85 C ATOM 1132 CE2 TYR A 71 -11.233 -2.264 -6.934 1.00 0.72 C ATOM 1133 CZ TYR A 71 -12.093 -3.243 -7.446 1.00 0.74 C ATOM 1134 OH TYR A 71 -13.459 -3.056 -7.400 1.00 0.93 O ATOM 0 H TYR A 71 -5.611 -4.138 -5.660 1.00 0.28 H new ATOM 0 HA TYR A 71 -8.321 -5.300 -6.071 1.00 0.31 H new ATOM 0 HB2 TYR A 71 -7.308 -2.901 -7.400 1.00 0.35 H new ATOM 0 HB3 TYR A 71 -7.526 -4.192 -8.566 1.00 0.35 H new ATOM 0 HD1 TYR A 71 -9.776 -5.512 -8.477 1.00 0.73 H new ATOM 0 HD2 TYR A 71 -9.182 -1.703 -6.584 1.00 0.58 H new ATOM 0 HE1 TYR A 71 -12.231 -5.172 -8.392 1.00 0.85 H new ATOM 0 HE2 TYR A 71 -11.639 -1.360 -6.505 1.00 0.72 H new ATOM 0 HH TYR A 71 -13.906 -3.925 -7.325 1.00 0.93 H new ATOM 1144 N TYR A 72 -7.228 -7.018 -7.645 1.00 0.33 N ATOM 1145 CA TYR A 72 -6.474 -8.141 -8.283 1.00 0.37 C ATOM 1146 C TYR A 72 -6.681 -8.111 -9.801 1.00 0.50 C ATOM 1147 O TYR A 72 -7.789 -7.954 -10.286 1.00 0.69 O ATOM 1148 CB TYR A 72 -6.969 -9.475 -7.715 1.00 0.47 C ATOM 1149 CG TYR A 72 -6.661 -9.530 -6.233 1.00 0.49 C ATOM 1150 CD1 TYR A 72 -5.343 -9.369 -5.786 1.00 0.63 C ATOM 1151 CD2 TYR A 72 -7.692 -9.736 -5.307 1.00 0.70 C ATOM 1152 CE1 TYR A 72 -5.057 -9.411 -4.417 1.00 0.81 C ATOM 1153 CE2 TYR A 72 -7.405 -9.779 -3.936 1.00 0.80 C ATOM 1154 CZ TYR A 72 -6.086 -9.616 -3.492 1.00 0.80 C ATOM 1155 OH TYR A 72 -5.803 -9.656 -2.141 1.00 1.01 O ATOM 0 H TYR A 72 -8.241 -7.134 -7.625 1.00 0.33 H new ATOM 0 HA TYR A 72 -5.411 -8.030 -8.069 1.00 0.37 H new ATOM 0 HB2 TYR A 72 -8.041 -9.579 -7.880 1.00 0.47 H new ATOM 0 HB3 TYR A 72 -6.486 -10.305 -8.230 1.00 0.47 H new ATOM 0 HD1 TYR A 72 -4.547 -9.212 -6.499 1.00 0.63 H new ATOM 0 HD2 TYR A 72 -8.708 -9.862 -5.650 1.00 0.70 H new ATOM 0 HE1 TYR A 72 -4.041 -9.285 -4.074 1.00 0.81 H new ATOM 0 HE2 TYR A 72 -8.200 -9.938 -3.222 1.00 0.80 H new ATOM 0 HH TYR A 72 -5.027 -9.088 -1.952 1.00 1.01 H new ATOM 1165 N LEU A 73 -5.615 -8.261 -10.552 1.00 0.56 N ATOM 1166 CA LEU A 73 -5.724 -8.241 -12.044 1.00 0.76 C ATOM 1167 C LEU A 73 -6.332 -9.565 -12.536 1.00 0.88 C ATOM 1168 O LEU A 73 -5.765 -10.610 -12.247 1.00 0.94 O ATOM 1169 CB LEU A 73 -4.330 -8.048 -12.656 1.00 0.89 C ATOM 1170 CG LEU A 73 -4.277 -6.715 -13.410 1.00 0.87 C ATOM 1171 CD1 LEU A 73 -2.928 -6.036 -13.159 1.00 1.09 C ATOM 1172 CD2 LEU A 73 -4.452 -6.967 -14.912 1.00 1.40 C ATOM 1173 OXT LEU A 73 -7.359 -9.510 -13.191 1.00 1.09 O ATOM 0 H LEU A 73 -4.670 -8.397 -10.192 1.00 0.56 H new ATOM 0 HA LEU A 73 -6.369 -7.417 -12.350 1.00 0.76 H new ATOM 0 HB2 LEU A 73 -3.573 -8.064 -11.872 1.00 0.89 H new ATOM 0 HB3 LEU A 73 -4.103 -8.870 -13.335 1.00 0.89 H new ATOM 0 HG LEU A 73 -5.079 -6.068 -13.055 1.00 0.87 H new ATOM 0 HD11 LEU A 73 -2.892 -5.088 -13.696 1.00 1.09 H new ATOM 0 HD12 LEU A 73 -2.806 -5.853 -12.091 1.00 1.09 H new ATOM 0 HD13 LEU A 73 -2.124 -6.683 -13.511 1.00 1.09 H new ATOM 0 HD21 LEU A 73 -4.414 -6.018 -15.447 1.00 1.40 H new ATOM 0 HD22 LEU A 73 -3.652 -7.616 -15.268 1.00 1.40 H new ATOM 0 HD23 LEU A 73 -5.415 -7.446 -15.091 1.00 1.40 H new TER 1185 LEU A 73