USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 23 ASN : amide:sc= 0 X(o=-0.0073,f=0.092) USER MOD Set 1.2: A 91 HIS : no HD1:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.0112 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00554 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 1.07 K(o=1.1,f=-5.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 12 THR OG1 : rot 31:sc= 0.817 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.377 K(o=0.38,f=-0.66) USER MOD Single : A 20 THR OG1 : rot -20:sc= -3.01! USER MOD Single : A 24 SER OG : rot 48:sc= 0.164 USER MOD Single : A 25 MET CE :methyl 135:sc= -0.181 (180deg=-0.83) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.1 (180deg=-0.574) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 0.896 (180deg=-0.183) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.75) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 45 ASN : amide:sc= -0.839 K(o=-0.84,f=-13!) USER MOD Single : A 47 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.1!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 50:sc= 0.0481 USER MOD Single : A 63 HIS : no HD1:sc=-0.00983 K(o=-0.0098,f=-0.98) USER MOD Single : A 65 TYR OH : rot -14:sc= 0.0138 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 0.836 (180deg=0.779) USER MOD Single : A 74 ASN : amide:sc=-0.00307 K(o=-0.0031,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -77:sc= 1.31 USER MOD Single : A 88 GLN : amide:sc= 0.427 K(o=0.43,f=-0.41) USER MOD Single : A 92 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 94 HIS : no HE2:sc= 1 K(o=1,f=-7.5!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.973 -1.774 -17.876 1.00 0.00 N ATOM 2 CA SER A 1 -5.365 -2.245 -18.013 1.00 0.00 C ATOM 3 C SER A 1 -6.259 -1.132 -18.543 1.00 0.00 C ATOM 4 O SER A 1 -6.473 -0.120 -17.877 1.00 0.00 O ATOM 5 CB SER A 1 -5.884 -2.730 -16.658 1.00 0.00 C ATOM 6 OG SER A 1 -5.050 -3.745 -16.121 1.00 0.00 O ATOM 0 H1 SER A 1 -3.519 -2.261 -17.077 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.449 -1.981 -18.750 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.969 -0.748 -17.704 1.00 0.00 H new ATOM 0 HA SER A 1 -5.384 -3.071 -18.724 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.933 -1.891 -15.963 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.899 -3.111 -16.770 1.00 0.00 H new ATOM 0 HG SER A 1 -5.404 -4.035 -15.254 1.00 0.00 H new ATOM 14 N SER A 2 -6.767 -1.319 -19.751 1.00 0.00 N ATOM 15 CA SER A 2 -7.684 -0.367 -20.345 1.00 0.00 C ATOM 16 C SER A 2 -9.110 -0.725 -19.952 1.00 0.00 C ATOM 17 O SER A 2 -9.809 -1.443 -20.672 1.00 0.00 O ATOM 18 CB SER A 2 -7.524 -0.358 -21.864 1.00 0.00 C ATOM 19 OG SER A 2 -6.172 -0.123 -22.227 1.00 0.00 O ATOM 0 H SER A 2 -6.557 -2.126 -20.339 1.00 0.00 H new ATOM 0 HA SER A 2 -7.459 0.634 -19.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.855 -1.312 -22.275 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.161 0.414 -22.297 1.00 0.00 H new ATOM 0 HG SER A 2 -6.091 -0.123 -23.204 1.00 0.00 H new ATOM 25 N GLN A 3 -9.512 -0.247 -18.783 1.00 0.00 N ATOM 26 CA GLN A 3 -10.808 -0.579 -18.208 1.00 0.00 C ATOM 27 C GLN A 3 -11.925 0.127 -18.971 1.00 0.00 C ATOM 28 O GLN A 3 -11.848 1.330 -19.224 1.00 0.00 O ATOM 29 CB GLN A 3 -10.820 -0.177 -16.730 1.00 0.00 C ATOM 30 CG GLN A 3 -11.976 -0.755 -15.934 1.00 0.00 C ATOM 31 CD GLN A 3 -11.894 -0.407 -14.460 1.00 0.00 C ATOM 32 OE1 GLN A 3 -10.806 -0.220 -13.908 1.00 0.00 O ATOM 33 NE2 GLN A 3 -13.040 -0.319 -13.812 1.00 0.00 N ATOM 0 H GLN A 3 -8.950 0.381 -18.207 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.977 -1.653 -18.287 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.884 -0.495 -16.272 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.855 0.910 -16.662 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.916 -0.382 -16.341 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.987 -1.839 -16.049 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.918 -0.481 -14.305 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.048 -0.089 -12.818 1.00 0.00 H new ATOM 42 N THR A 4 -12.949 -0.626 -19.349 1.00 0.00 N ATOM 43 CA THR A 4 -14.057 -0.078 -20.119 1.00 0.00 C ATOM 44 C THR A 4 -14.932 0.811 -19.245 1.00 0.00 C ATOM 45 O THR A 4 -15.319 1.911 -19.644 1.00 0.00 O ATOM 46 CB THR A 4 -14.913 -1.203 -20.729 1.00 0.00 C ATOM 47 OG1 THR A 4 -14.061 -2.160 -21.372 1.00 0.00 O ATOM 48 CG2 THR A 4 -15.908 -0.645 -21.739 1.00 0.00 C ATOM 0 H THR A 4 -13.035 -1.619 -19.135 1.00 0.00 H new ATOM 0 HA THR A 4 -13.635 0.520 -20.926 1.00 0.00 H new ATOM 0 HB THR A 4 -15.471 -1.685 -19.926 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.607 -2.876 -21.758 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.500 -1.460 -22.155 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.568 0.067 -21.244 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.368 -0.142 -22.542 1.00 0.00 H new ATOM 56 N LEU A 5 -15.240 0.330 -18.049 1.00 0.00 N ATOM 57 CA LEU A 5 -15.990 1.119 -17.090 1.00 0.00 C ATOM 58 C LEU A 5 -15.029 2.001 -16.304 1.00 0.00 C ATOM 59 O LEU A 5 -14.516 1.610 -15.260 1.00 0.00 O ATOM 60 CB LEU A 5 -16.793 0.215 -16.150 1.00 0.00 C ATOM 61 CG LEU A 5 -17.715 0.947 -15.171 1.00 0.00 C ATOM 62 CD1 LEU A 5 -18.740 1.785 -15.923 1.00 0.00 C ATOM 63 CD2 LEU A 5 -18.412 -0.048 -14.256 1.00 0.00 C ATOM 0 H LEU A 5 -14.982 -0.601 -17.723 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.700 1.751 -17.624 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.396 -0.465 -16.753 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.096 -0.398 -15.579 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.107 1.615 -14.561 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.385 2.297 -15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.226 2.521 -16.540 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -19.344 1.137 -16.558 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.064 0.487 -13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.006 -0.738 -14.855 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.666 -0.607 -13.691 1.00 0.00 H new ATOM 75 N ASP A 6 -14.774 3.185 -16.832 1.00 0.00 N ATOM 76 CA ASP A 6 -13.788 4.098 -16.260 1.00 0.00 C ATOM 77 C ASP A 6 -14.393 4.929 -15.135 1.00 0.00 C ATOM 78 O ASP A 6 -13.800 5.910 -14.683 1.00 0.00 O ATOM 79 CB ASP A 6 -13.236 5.019 -17.348 1.00 0.00 C ATOM 80 CG ASP A 6 -14.275 5.992 -17.872 1.00 0.00 C ATOM 81 OD1 ASP A 6 -15.248 5.543 -18.516 1.00 0.00 O ATOM 82 OD2 ASP A 6 -14.116 7.209 -17.655 1.00 0.00 O ATOM 0 H ASP A 6 -15.240 3.544 -17.666 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.976 3.501 -15.843 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.389 5.578 -16.950 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.860 4.415 -18.174 1.00 0.00 H new ATOM 87 N ARG A 7 -15.567 4.521 -14.685 1.00 0.00 N ATOM 88 CA ARG A 7 -16.265 5.203 -13.607 1.00 0.00 C ATOM 89 C ARG A 7 -15.640 4.841 -12.262 1.00 0.00 C ATOM 90 O ARG A 7 -15.586 5.660 -11.343 1.00 0.00 O ATOM 91 CB ARG A 7 -17.742 4.815 -13.626 1.00 0.00 C ATOM 92 CG ARG A 7 -18.592 5.554 -12.608 1.00 0.00 C ATOM 93 CD ARG A 7 -20.030 5.074 -12.662 1.00 0.00 C ATOM 94 NE ARG A 7 -20.899 5.805 -11.747 1.00 0.00 N ATOM 95 CZ ARG A 7 -21.897 5.238 -11.074 1.00 0.00 C ATOM 96 NH1 ARG A 7 -22.060 3.920 -11.100 1.00 0.00 N ATOM 97 NH2 ARG A 7 -22.704 5.984 -10.338 1.00 0.00 N ATOM 0 H ARG A 7 -16.063 3.710 -15.055 1.00 0.00 H new ATOM 0 HA ARG A 7 -16.178 6.280 -13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.143 5.003 -14.622 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.827 3.744 -13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.188 5.398 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.553 6.626 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.407 5.181 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.064 4.012 -12.419 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.733 6.803 -11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -21.418 3.337 -11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -22.827 3.491 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -22.561 6.993 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -23.469 5.551 -9.822 1.00 0.00 H new ATOM 111 N ASP A 8 -15.171 3.606 -12.158 1.00 0.00 N ATOM 112 CA ASP A 8 -14.513 3.133 -10.951 1.00 0.00 C ATOM 113 C ASP A 8 -13.235 2.375 -11.304 1.00 0.00 C ATOM 114 O ASP A 8 -13.239 1.164 -11.516 1.00 0.00 O ATOM 115 CB ASP A 8 -15.463 2.269 -10.108 1.00 0.00 C ATOM 116 CG ASP A 8 -16.068 1.097 -10.858 1.00 0.00 C ATOM 117 OD1 ASP A 8 -17.036 1.305 -11.615 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.596 -0.048 -10.662 1.00 0.00 O ATOM 0 H ASP A 8 -15.235 2.910 -12.901 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.237 3.997 -10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.920 1.890 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.268 2.898 -9.729 1.00 0.00 H new ATOM 123 N PRO A 9 -12.115 3.100 -11.391 1.00 0.00 N ATOM 124 CA PRO A 9 -10.843 2.550 -11.850 1.00 0.00 C ATOM 125 C PRO A 9 -10.154 1.671 -10.811 1.00 0.00 C ATOM 126 O PRO A 9 -10.175 1.960 -9.610 1.00 0.00 O ATOM 127 CB PRO A 9 -9.982 3.795 -12.136 1.00 0.00 C ATOM 128 CG PRO A 9 -10.884 4.975 -11.950 1.00 0.00 C ATOM 129 CD PRO A 9 -11.992 4.519 -11.047 1.00 0.00 C ATOM 0 HA PRO A 9 -10.991 1.901 -12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.131 3.844 -11.457 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.581 3.767 -13.149 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.343 5.812 -11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.278 5.318 -12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.744 4.662 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.918 5.064 -11.233 1.00 0.00 H new ATOM 137 N THR A 10 -9.553 0.592 -11.281 1.00 0.00 N ATOM 138 CA THR A 10 -8.701 -0.235 -10.446 1.00 0.00 C ATOM 139 C THR A 10 -7.283 0.319 -10.495 1.00 0.00 C ATOM 140 O THR A 10 -6.614 0.250 -11.532 1.00 0.00 O ATOM 141 CB THR A 10 -8.717 -1.707 -10.899 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.070 -2.186 -10.952 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.906 -2.579 -9.952 1.00 0.00 C ATOM 0 H THR A 10 -9.641 0.267 -12.244 1.00 0.00 H new ATOM 0 HA THR A 10 -9.079 -0.210 -9.424 1.00 0.00 H new ATOM 0 HB THR A 10 -8.268 -1.762 -11.891 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.075 -3.122 -11.242 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.934 -3.613 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.873 -2.231 -9.932 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.329 -2.518 -8.949 1.00 0.00 H new ATOM 151 N LEU A 11 -6.837 0.883 -9.388 1.00 0.00 N ATOM 152 CA LEU A 11 -5.584 1.609 -9.354 1.00 0.00 C ATOM 153 C LEU A 11 -4.538 0.830 -8.577 1.00 0.00 C ATOM 154 O LEU A 11 -4.856 0.137 -7.614 1.00 0.00 O ATOM 155 CB LEU A 11 -5.814 2.985 -8.714 1.00 0.00 C ATOM 156 CG LEU A 11 -4.578 3.878 -8.583 1.00 0.00 C ATOM 157 CD1 LEU A 11 -3.991 4.193 -9.948 1.00 0.00 C ATOM 158 CD2 LEU A 11 -4.936 5.162 -7.852 1.00 0.00 C ATOM 0 H LEU A 11 -7.329 0.851 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.218 1.742 -10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.562 3.517 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.237 2.836 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.825 3.341 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.114 4.829 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.703 3.266 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.735 4.711 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.049 5.790 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.705 5.696 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.310 4.922 -6.857 1.00 0.00 H new ATOM 170 N THR A 12 -3.297 0.918 -9.011 1.00 0.00 N ATOM 171 CA THR A 12 -2.213 0.315 -8.272 1.00 0.00 C ATOM 172 C THR A 12 -1.253 1.397 -7.788 1.00 0.00 C ATOM 173 O THR A 12 -0.756 2.210 -8.570 1.00 0.00 O ATOM 174 CB THR A 12 -1.471 -0.767 -9.096 1.00 0.00 C ATOM 175 OG1 THR A 12 -0.495 -1.421 -8.278 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.793 -0.181 -10.324 1.00 0.00 C ATOM 0 H THR A 12 -3.018 1.399 -9.866 1.00 0.00 H new ATOM 0 HA THR A 12 -2.638 -0.195 -7.408 1.00 0.00 H new ATOM 0 HB THR A 12 -2.216 -1.487 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.806 -1.439 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.285 -0.974 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.542 0.282 -10.967 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.066 0.570 -10.015 1.00 0.00 H new ATOM 184 N LEU A 13 -1.042 1.431 -6.485 1.00 0.00 N ATOM 185 CA LEU A 13 -0.169 2.418 -5.878 1.00 0.00 C ATOM 186 C LEU A 13 1.100 1.752 -5.379 1.00 0.00 C ATOM 187 O LEU A 13 1.170 0.527 -5.282 1.00 0.00 O ATOM 188 CB LEU A 13 -0.879 3.122 -4.720 1.00 0.00 C ATOM 189 CG LEU A 13 -2.134 3.907 -5.107 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.771 4.536 -3.877 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.793 4.974 -6.135 1.00 0.00 C ATOM 0 H LEU A 13 -1.467 0.781 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 13 0.090 3.162 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.152 2.375 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.175 3.805 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.852 3.216 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.662 5.090 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.048 3.754 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.060 5.215 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.695 5.525 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.059 5.662 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.380 4.502 -7.026 1.00 0.00 H new ATOM 203 N SER A 14 2.096 2.552 -5.061 1.00 0.00 N ATOM 204 CA SER A 14 3.341 2.030 -4.545 1.00 0.00 C ATOM 205 C SER A 14 3.237 1.858 -3.038 1.00 0.00 C ATOM 206 O SER A 14 2.856 2.792 -2.324 1.00 0.00 O ATOM 207 CB SER A 14 4.499 2.972 -4.895 1.00 0.00 C ATOM 208 OG SER A 14 5.753 2.417 -4.524 1.00 0.00 O ATOM 0 H SER A 14 2.066 3.568 -5.151 1.00 0.00 H new ATOM 0 HA SER A 14 3.537 1.060 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.493 3.176 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.358 3.927 -4.388 1.00 0.00 H new ATOM 0 HG SER A 14 6.470 3.041 -4.762 1.00 0.00 H new ATOM 214 N LEU A 15 3.542 0.658 -2.564 1.00 0.00 N ATOM 215 CA LEU A 15 3.603 0.403 -1.137 1.00 0.00 C ATOM 216 C LEU A 15 4.942 0.886 -0.609 1.00 0.00 C ATOM 217 O LEU A 15 5.972 0.263 -0.841 1.00 0.00 O ATOM 218 CB LEU A 15 3.413 -1.088 -0.840 1.00 0.00 C ATOM 219 CG LEU A 15 3.433 -1.464 0.643 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.299 -0.774 1.386 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.340 -2.974 0.809 1.00 0.00 C ATOM 0 H LEU A 15 3.750 -0.152 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 15 2.797 0.943 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.463 -1.409 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.197 -1.647 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 15 4.377 -1.127 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.330 -1.054 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.409 0.307 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.344 -1.079 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.355 -3.225 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.411 -3.332 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.186 -3.448 0.312 1.00 0.00 H new ATOM 233 N ILE A 16 4.927 2.020 0.066 1.00 0.00 N ATOM 234 CA ILE A 16 6.154 2.639 0.532 1.00 0.00 C ATOM 235 C ILE A 16 6.316 2.497 2.038 1.00 0.00 C ATOM 236 O ILE A 16 5.338 2.476 2.787 1.00 0.00 O ATOM 237 CB ILE A 16 6.218 4.136 0.151 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.995 4.882 0.698 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.314 4.291 -1.360 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.039 6.378 0.466 1.00 0.00 C ATOM 0 H ILE A 16 4.078 2.532 0.304 1.00 0.00 H new ATOM 0 HA ILE A 16 6.971 2.114 0.037 1.00 0.00 H new ATOM 0 HB ILE A 16 7.110 4.573 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.096 4.478 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.913 4.692 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.358 5.350 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.214 3.793 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.438 3.841 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.141 6.837 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.919 6.796 0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.089 6.579 -0.604 1.00 0.00 H new ATOM 252 N ALA A 17 7.557 2.388 2.472 1.00 0.00 N ATOM 253 CA ALA A 17 7.871 2.341 3.885 1.00 0.00 C ATOM 254 C ALA A 17 8.024 3.758 4.420 1.00 0.00 C ATOM 255 O ALA A 17 9.021 4.423 4.146 1.00 0.00 O ATOM 256 CB ALA A 17 9.142 1.536 4.108 1.00 0.00 C ATOM 0 H ALA A 17 8.370 2.330 1.859 1.00 0.00 H new ATOM 0 HA ALA A 17 7.060 1.852 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.371 1.506 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.999 0.521 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.968 2.004 3.572 1.00 0.00 H new ATOM 262 N LYS A 18 7.028 4.230 5.159 1.00 0.00 N ATOM 263 CA LYS A 18 7.026 5.612 5.620 1.00 0.00 C ATOM 264 C LYS A 18 7.707 5.732 6.979 1.00 0.00 C ATOM 265 O LYS A 18 8.869 6.131 7.066 1.00 0.00 O ATOM 266 CB LYS A 18 5.597 6.159 5.691 1.00 0.00 C ATOM 267 CG LYS A 18 5.539 7.640 6.023 1.00 0.00 C ATOM 268 CD LYS A 18 4.113 8.140 6.146 1.00 0.00 C ATOM 269 CE LYS A 18 4.082 9.604 6.552 1.00 0.00 C ATOM 270 NZ LYS A 18 2.697 10.103 6.743 1.00 0.00 N ATOM 0 H LYS A 18 6.218 3.682 5.450 1.00 0.00 H new ATOM 0 HA LYS A 18 7.588 6.207 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.101 5.988 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.039 5.602 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.069 7.823 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.056 8.206 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.596 8.012 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.577 7.543 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.644 9.735 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.580 10.202 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.724 11.105 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.166 10.003 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.229 9.551 7.490 1.00 0.00 H new ATOM 284 N ASN A 19 6.991 5.354 8.029 1.00 0.00 N ATOM 285 CA ASN A 19 7.519 5.425 9.386 1.00 0.00 C ATOM 286 C ASN A 19 8.406 4.219 9.642 1.00 0.00 C ATOM 287 O ASN A 19 8.089 3.337 10.435 1.00 0.00 O ATOM 288 CB ASN A 19 6.381 5.493 10.413 1.00 0.00 C ATOM 289 CG ASN A 19 6.872 5.660 11.844 1.00 0.00 C ATOM 290 OD1 ASN A 19 7.943 6.217 12.092 1.00 0.00 O ATOM 291 ND2 ASN A 19 6.086 5.189 12.800 1.00 0.00 N ATOM 0 H ASN A 19 6.039 4.993 7.967 1.00 0.00 H new ATOM 0 HA ASN A 19 8.111 6.334 9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.724 6.325 10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.784 4.584 10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.361 5.282 13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.206 4.733 12.558 1.00 0.00 H new ATOM 298 N THR A 20 9.491 4.169 8.901 1.00 0.00 N ATOM 299 CA THR A 20 10.456 3.097 9.012 1.00 0.00 C ATOM 300 C THR A 20 11.767 3.615 9.588 1.00 0.00 C ATOM 301 O THR A 20 12.475 4.400 8.952 1.00 0.00 O ATOM 302 CB THR A 20 10.698 2.453 7.638 1.00 0.00 C ATOM 303 OG1 THR A 20 9.441 2.035 7.092 1.00 0.00 O ATOM 304 CG2 THR A 20 11.637 1.260 7.742 1.00 0.00 C ATOM 0 H THR A 20 9.730 4.873 8.202 1.00 0.00 H new ATOM 0 HA THR A 20 10.055 2.342 9.688 1.00 0.00 H new ATOM 0 HB THR A 20 11.167 3.190 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.782 1.953 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.787 0.828 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.596 1.586 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.201 0.511 8.403 1.00 0.00 H new ATOM 312 N PRO A 21 12.088 3.194 10.817 1.00 0.00 N ATOM 313 CA PRO A 21 13.316 3.593 11.500 1.00 0.00 C ATOM 314 C PRO A 21 14.550 2.946 10.880 1.00 0.00 C ATOM 315 O PRO A 21 14.455 2.195 9.903 1.00 0.00 O ATOM 316 CB PRO A 21 13.121 3.095 12.941 1.00 0.00 C ATOM 317 CG PRO A 21 11.690 2.680 13.036 1.00 0.00 C ATOM 318 CD PRO A 21 11.279 2.296 11.647 1.00 0.00 C ATOM 0 HA PRO A 21 13.483 4.668 11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.786 2.260 13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.349 3.881 13.661 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.571 1.843 13.724 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.072 3.494 13.415 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.491 1.248 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.212 2.444 11.484 1.00 0.00 H new ATOM 326 N ALA A 22 15.706 3.237 11.453 1.00 0.00 N ATOM 327 CA ALA A 22 16.955 2.673 10.972 1.00 0.00 C ATOM 328 C ALA A 22 17.110 1.234 11.446 1.00 0.00 C ATOM 329 O ALA A 22 16.423 0.813 12.382 1.00 0.00 O ATOM 330 CB ALA A 22 18.130 3.507 11.447 1.00 0.00 C ATOM 0 H ALA A 22 15.805 3.862 12.253 1.00 0.00 H new ATOM 0 HA ALA A 22 16.936 2.681 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.058 3.071 11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.031 4.524 11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.146 3.526 12.537 1.00 0.00 H new ATOM 336 N ASN A 23 17.990 0.483 10.769 1.00 0.00 N ATOM 337 CA ASN A 23 18.342 -0.891 11.163 1.00 0.00 C ATOM 338 C ASN A 23 17.283 -1.888 10.701 1.00 0.00 C ATOM 339 O ASN A 23 17.607 -2.997 10.270 1.00 0.00 O ATOM 340 CB ASN A 23 18.550 -0.972 12.682 1.00 0.00 C ATOM 341 CG ASN A 23 18.714 -2.382 13.212 1.00 0.00 C ATOM 342 OD1 ASN A 23 19.322 -3.247 12.578 1.00 0.00 O ATOM 343 ND2 ASN A 23 18.161 -2.615 14.389 1.00 0.00 N ATOM 0 H ASN A 23 18.478 0.809 9.934 1.00 0.00 H new ATOM 0 HA ASN A 23 19.278 -1.158 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.433 -0.391 12.948 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.700 -0.506 13.179 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.228 -3.542 14.809 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.667 -1.868 14.877 1.00 0.00 H new ATOM 350 N SER A 24 16.026 -1.486 10.776 1.00 0.00 N ATOM 351 CA SER A 24 14.930 -2.319 10.329 1.00 0.00 C ATOM 352 C SER A 24 14.816 -2.265 8.811 1.00 0.00 C ATOM 353 O SER A 24 14.211 -1.351 8.250 1.00 0.00 O ATOM 354 CB SER A 24 13.625 -1.871 10.994 1.00 0.00 C ATOM 355 OG SER A 24 13.473 -0.462 10.926 1.00 0.00 O ATOM 0 H SER A 24 15.741 -0.579 11.146 1.00 0.00 H new ATOM 0 HA SER A 24 15.124 -3.352 10.619 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.780 -2.355 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.616 -2.191 12.036 1.00 0.00 H new ATOM 0 HG SER A 24 13.654 -0.157 10.012 1.00 0.00 H new ATOM 361 N MET A 25 15.438 -3.229 8.156 1.00 0.00 N ATOM 362 CA MET A 25 15.454 -3.283 6.705 1.00 0.00 C ATOM 363 C MET A 25 14.472 -4.330 6.207 1.00 0.00 C ATOM 364 O MET A 25 14.447 -5.451 6.708 1.00 0.00 O ATOM 365 CB MET A 25 16.860 -3.614 6.210 1.00 0.00 C ATOM 366 CG MET A 25 16.975 -3.681 4.694 1.00 0.00 C ATOM 367 SD MET A 25 18.555 -4.353 4.143 1.00 0.00 S ATOM 368 CE MET A 25 18.438 -6.027 4.773 1.00 0.00 C ATOM 0 H MET A 25 15.942 -3.991 8.610 1.00 0.00 H new ATOM 0 HA MET A 25 15.159 -2.309 6.316 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.554 -2.862 6.585 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.168 -4.571 6.632 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.166 -4.296 4.300 1.00 0.00 H new ATOM 0 HG3 MET A 25 16.846 -2.681 4.280 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.763 -6.728 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.075 -6.130 5.652 1.00 0.00 H new ATOM 0 HE3 MET A 25 17.405 -6.241 5.046 1.00 0.00 H new ATOM 378 N ILE A 26 13.669 -3.969 5.225 1.00 0.00 N ATOM 379 CA ILE A 26 12.686 -4.891 4.684 1.00 0.00 C ATOM 380 C ILE A 26 13.323 -5.756 3.602 1.00 0.00 C ATOM 381 O ILE A 26 13.673 -5.262 2.528 1.00 0.00 O ATOM 382 CB ILE A 26 11.467 -4.151 4.095 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.027 -3.020 5.029 1.00 0.00 C ATOM 384 CG2 ILE A 26 10.320 -5.128 3.875 1.00 0.00 C ATOM 385 CD1 ILE A 26 9.879 -2.194 4.489 1.00 0.00 C ATOM 0 H ILE A 26 13.676 -3.048 4.786 1.00 0.00 H new ATOM 0 HA ILE A 26 12.338 -5.517 5.506 1.00 0.00 H new ATOM 0 HB ILE A 26 11.751 -3.718 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.736 -3.447 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.877 -2.364 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.464 -4.597 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.634 -5.908 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.039 -5.580 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.624 -1.413 5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.172 -1.737 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.013 -2.836 4.328 1.00 0.00 H new ATOM 397 N MET A 27 13.492 -7.041 3.894 1.00 0.00 N ATOM 398 CA MET A 27 14.085 -7.971 2.939 1.00 0.00 C ATOM 399 C MET A 27 13.122 -8.221 1.785 1.00 0.00 C ATOM 400 O MET A 27 13.537 -8.437 0.646 1.00 0.00 O ATOM 401 CB MET A 27 14.451 -9.293 3.624 1.00 0.00 C ATOM 402 CG MET A 27 15.118 -10.299 2.696 1.00 0.00 C ATOM 403 SD MET A 27 15.635 -11.801 3.553 1.00 0.00 S ATOM 404 CE MET A 27 16.291 -12.759 2.189 1.00 0.00 C ATOM 0 H MET A 27 13.227 -7.463 4.784 1.00 0.00 H new ATOM 0 HA MET A 27 14.999 -7.526 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.118 -9.086 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.547 -9.739 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 27 14.427 -10.562 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.986 -9.835 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.652 -13.719 2.559 1.00 0.00 H new ATOM 0 HE2 MET A 27 15.506 -12.926 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.115 -12.216 1.726 1.00 0.00 H new ATOM 414 N THR A 28 11.836 -8.185 2.094 1.00 0.00 N ATOM 415 CA THR A 28 10.804 -8.297 1.080 1.00 0.00 C ATOM 416 C THR A 28 10.654 -6.963 0.358 1.00 0.00 C ATOM 417 O THR A 28 10.137 -6.004 0.926 1.00 0.00 O ATOM 418 CB THR A 28 9.458 -8.695 1.718 1.00 0.00 C ATOM 419 OG1 THR A 28 9.657 -9.793 2.622 1.00 0.00 O ATOM 420 CG2 THR A 28 8.444 -9.088 0.654 1.00 0.00 C ATOM 0 H THR A 28 11.482 -8.078 3.045 1.00 0.00 H new ATOM 0 HA THR A 28 11.094 -9.070 0.368 1.00 0.00 H new ATOM 0 HB THR A 28 9.070 -7.834 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.800 -10.043 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.504 -9.364 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.276 -8.246 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.824 -9.936 0.084 1.00 0.00 H new ATOM 428 N LYS A 29 11.131 -6.892 -0.879 1.00 0.00 N ATOM 429 CA LYS A 29 11.102 -5.638 -1.621 1.00 0.00 C ATOM 430 C LYS A 29 9.673 -5.178 -1.867 1.00 0.00 C ATOM 431 O LYS A 29 8.831 -5.944 -2.340 1.00 0.00 O ATOM 432 CB LYS A 29 11.872 -5.757 -2.936 1.00 0.00 C ATOM 433 CG LYS A 29 13.365 -5.948 -2.730 1.00 0.00 C ATOM 434 CD LYS A 29 14.139 -5.832 -4.031 1.00 0.00 C ATOM 435 CE LYS A 29 15.639 -5.906 -3.786 1.00 0.00 C ATOM 436 NZ LYS A 29 16.098 -4.852 -2.840 1.00 0.00 N ATOM 0 H LYS A 29 11.538 -7.679 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 29 11.596 -4.882 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.478 -6.598 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.704 -4.860 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.731 -5.204 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.547 -6.927 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.838 -6.631 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.894 -4.890 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.894 -6.888 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.168 -5.799 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.122 -4.707 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.599 -3.963 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.895 -5.149 -1.864 1.00 0.00 H new ATOM 450 N LEU A 30 9.426 -3.920 -1.530 1.00 0.00 N ATOM 451 CA LEU A 30 8.097 -3.323 -1.588 1.00 0.00 C ATOM 452 C LEU A 30 7.481 -3.442 -2.979 1.00 0.00 C ATOM 453 O LEU A 30 8.071 -3.006 -3.971 1.00 0.00 O ATOM 454 CB LEU A 30 8.185 -1.853 -1.179 1.00 0.00 C ATOM 455 CG LEU A 30 8.744 -1.604 0.225 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.973 -0.119 0.451 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.800 -2.164 1.280 1.00 0.00 C ATOM 0 H LEU A 30 10.149 -3.278 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 30 7.451 -3.865 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.810 -1.327 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.189 -1.414 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 30 9.702 -2.117 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.370 0.039 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.685 0.256 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.028 0.415 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.212 -1.979 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.828 -1.677 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.683 -3.237 1.130 1.00 0.00 H new ATOM 469 N PRO A 31 6.300 -4.066 -3.068 1.00 0.00 N ATOM 470 CA PRO A 31 5.559 -4.199 -4.310 1.00 0.00 C ATOM 471 C PRO A 31 4.504 -3.107 -4.491 1.00 0.00 C ATOM 472 O PRO A 31 4.310 -2.257 -3.619 1.00 0.00 O ATOM 473 CB PRO A 31 4.893 -5.560 -4.130 1.00 0.00 C ATOM 474 CG PRO A 31 4.640 -5.676 -2.657 1.00 0.00 C ATOM 475 CD PRO A 31 5.598 -4.732 -1.961 1.00 0.00 C ATOM 0 HA PRO A 31 6.194 -4.110 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.964 -5.623 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.537 -6.365 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.607 -5.418 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.797 -6.701 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.068 -4.015 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.291 -5.270 -1.314 1.00 0.00 H new ATOM 483 N SER A 32 3.844 -3.119 -5.635 1.00 0.00 N ATOM 484 CA SER A 32 2.726 -2.227 -5.881 1.00 0.00 C ATOM 485 C SER A 32 1.431 -2.861 -5.370 1.00 0.00 C ATOM 486 O SER A 32 1.222 -4.065 -5.518 1.00 0.00 O ATOM 487 CB SER A 32 2.629 -1.915 -7.375 1.00 0.00 C ATOM 488 OG SER A 32 3.865 -1.413 -7.865 1.00 0.00 O ATOM 0 H SER A 32 4.065 -3.741 -6.413 1.00 0.00 H new ATOM 0 HA SER A 32 2.884 -1.292 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.354 -2.816 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.840 -1.184 -7.548 1.00 0.00 H new ATOM 0 HG SER A 32 3.784 -1.221 -8.823 1.00 0.00 H new ATOM 494 N VAL A 33 0.576 -2.049 -4.768 1.00 0.00 N ATOM 495 CA VAL A 33 -0.654 -2.534 -4.151 1.00 0.00 C ATOM 496 C VAL A 33 -1.846 -2.250 -5.065 1.00 0.00 C ATOM 497 O VAL A 33 -1.837 -1.266 -5.807 1.00 0.00 O ATOM 498 CB VAL A 33 -0.875 -1.875 -2.767 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.087 -0.375 -2.902 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.041 -2.518 -2.027 1.00 0.00 C ATOM 0 H VAL A 33 0.711 -1.041 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.563 -3.611 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 33 0.028 -2.039 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.240 0.061 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.210 0.076 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.963 -0.186 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.170 -2.033 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.952 -2.404 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.837 -3.578 -1.877 1.00 0.00 H new ATOM 510 N ARG A 34 -2.853 -3.111 -5.036 1.00 0.00 N ATOM 511 CA ARG A 34 -4.032 -2.923 -5.871 1.00 0.00 C ATOM 512 C ARG A 34 -5.194 -2.391 -5.046 1.00 0.00 C ATOM 513 O ARG A 34 -5.627 -3.023 -4.083 1.00 0.00 O ATOM 514 CB ARG A 34 -4.437 -4.233 -6.551 1.00 0.00 C ATOM 515 CG ARG A 34 -3.329 -4.865 -7.374 1.00 0.00 C ATOM 516 CD ARG A 34 -3.851 -5.995 -8.248 1.00 0.00 C ATOM 517 NE ARG A 34 -4.596 -6.995 -7.483 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.207 -8.260 -7.339 1.00 0.00 C ATOM 519 NH1 ARG A 34 -3.035 -8.661 -7.816 1.00 0.00 N ATOM 520 NH2 ARG A 34 -4.983 -9.119 -6.695 1.00 0.00 N ATOM 0 H ARG A 34 -2.878 -3.943 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.780 -2.194 -6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.760 -4.942 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.295 -4.046 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.863 -4.105 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.555 -5.247 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.495 -5.582 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.013 -6.477 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.465 -6.706 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.426 -7.998 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.743 -9.632 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.876 -8.811 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.687 -10.089 -6.583 1.00 0.00 H new ATOM 534 N VAL A 35 -5.684 -1.226 -5.429 1.00 0.00 N ATOM 535 CA VAL A 35 -6.817 -0.607 -4.765 1.00 0.00 C ATOM 536 C VAL A 35 -7.819 -0.100 -5.795 1.00 0.00 C ATOM 537 O VAL A 35 -7.507 0.769 -6.611 1.00 0.00 O ATOM 538 CB VAL A 35 -6.381 0.559 -3.841 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.713 0.031 -2.581 1.00 0.00 C ATOM 540 CG2 VAL A 35 -5.446 1.519 -4.565 1.00 0.00 C ATOM 0 H VAL A 35 -5.309 -0.683 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.285 -1.370 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.281 1.106 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.416 0.868 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.412 -0.604 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.831 -0.549 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.159 2.325 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.555 0.983 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.955 1.937 -5.434 1.00 0.00 H new ATOM 550 N LYS A 36 -9.019 -0.654 -5.788 1.00 0.00 N ATOM 551 CA LYS A 36 -10.034 -0.202 -6.716 1.00 0.00 C ATOM 552 C LYS A 36 -10.780 0.960 -6.099 1.00 0.00 C ATOM 553 O LYS A 36 -11.227 0.876 -4.955 1.00 0.00 O ATOM 554 CB LYS A 36 -11.022 -1.313 -7.075 1.00 0.00 C ATOM 555 CG LYS A 36 -11.806 -1.019 -8.348 1.00 0.00 C ATOM 556 CD LYS A 36 -12.997 -1.949 -8.520 1.00 0.00 C ATOM 557 CE LYS A 36 -14.193 -1.481 -7.703 1.00 0.00 C ATOM 558 NZ LYS A 36 -14.699 -0.156 -8.162 1.00 0.00 N ATOM 0 H LYS A 36 -9.309 -1.404 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.538 0.104 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.479 -2.250 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.719 -1.454 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.154 0.014 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.145 -1.115 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.272 -1.999 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.719 -2.958 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.992 -2.219 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.911 -1.417 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.678 -0.026 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.101 0.599 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.672 -0.115 -9.201 1.00 0.00 H new ATOM 572 N THR A 37 -10.894 2.040 -6.838 1.00 0.00 N ATOM 573 CA THR A 37 -11.614 3.199 -6.365 1.00 0.00 C ATOM 574 C THR A 37 -12.961 3.293 -7.061 1.00 0.00 C ATOM 575 O THR A 37 -13.317 2.408 -7.847 1.00 0.00 O ATOM 576 CB THR A 37 -10.804 4.491 -6.591 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.323 4.540 -7.942 1.00 0.00 O ATOM 578 CG2 THR A 37 -9.629 4.571 -5.625 1.00 0.00 C ATOM 0 H THR A 37 -10.496 2.139 -7.772 1.00 0.00 H new ATOM 0 HA THR A 37 -11.772 3.087 -5.292 1.00 0.00 H new ATOM 0 HB THR A 37 -11.462 5.341 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.811 5.365 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.073 5.491 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.000 4.565 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.973 3.715 -5.779 1.00 0.00 H new ATOM 586 N GLU A 38 -13.714 4.333 -6.753 1.00 0.00 N ATOM 587 CA GLU A 38 -15.018 4.529 -7.353 1.00 0.00 C ATOM 588 C GLU A 38 -15.375 6.010 -7.337 1.00 0.00 C ATOM 589 O GLU A 38 -15.595 6.595 -6.274 1.00 0.00 O ATOM 590 CB GLU A 38 -16.060 3.700 -6.597 1.00 0.00 C ATOM 591 CG GLU A 38 -17.250 3.290 -7.443 1.00 0.00 C ATOM 592 CD GLU A 38 -17.783 1.923 -7.061 1.00 0.00 C ATOM 593 OE1 GLU A 38 -17.122 0.911 -7.382 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.868 1.846 -6.451 1.00 0.00 O ATOM 0 H GLU A 38 -13.442 5.057 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.001 4.195 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.581 2.804 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.415 4.274 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.043 4.030 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.961 3.284 -8.494 1.00 0.00 H new ATOM 601 N GLY A 39 -15.393 6.619 -8.515 1.00 0.00 N ATOM 602 CA GLY A 39 -15.677 8.034 -8.617 1.00 0.00 C ATOM 603 C GLY A 39 -14.856 8.699 -9.703 1.00 0.00 C ATOM 604 O GLY A 39 -13.875 8.130 -10.186 1.00 0.00 O ATOM 0 H GLY A 39 -15.215 6.154 -9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.737 8.177 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.472 8.515 -7.661 1.00 0.00 H new ATOM 608 N TYR A 40 -15.244 9.909 -10.075 1.00 0.00 N ATOM 609 CA TYR A 40 -14.584 10.638 -11.151 1.00 0.00 C ATOM 610 C TYR A 40 -13.413 11.445 -10.609 1.00 0.00 C ATOM 611 O TYR A 40 -13.604 12.389 -9.845 1.00 0.00 O ATOM 612 CB TYR A 40 -15.579 11.578 -11.840 1.00 0.00 C ATOM 613 CG TYR A 40 -16.846 10.895 -12.303 1.00 0.00 C ATOM 614 CD1 TYR A 40 -17.949 10.793 -11.463 1.00 0.00 C ATOM 615 CD2 TYR A 40 -16.941 10.357 -13.578 1.00 0.00 C ATOM 616 CE1 TYR A 40 -19.109 10.170 -11.880 1.00 0.00 C ATOM 617 CE2 TYR A 40 -18.097 9.732 -14.002 1.00 0.00 C ATOM 618 CZ TYR A 40 -19.178 9.643 -13.151 1.00 0.00 C ATOM 619 OH TYR A 40 -20.332 9.023 -13.574 1.00 0.00 O ATOM 0 H TYR A 40 -16.020 10.412 -9.644 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.210 9.915 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.842 12.381 -11.152 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.092 12.040 -12.699 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -17.898 11.208 -10.467 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -16.098 10.428 -14.249 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -19.956 10.096 -11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -18.154 9.315 -14.996 1.00 0.00 H new ATOM 0 HH TYR A 40 -20.216 8.708 -14.495 1.00 0.00 H new ATOM 629 N ASN A 41 -12.201 11.070 -10.993 1.00 0.00 N ATOM 630 CA ASN A 41 -11.011 11.763 -10.515 1.00 0.00 C ATOM 631 C ASN A 41 -10.020 12.029 -11.649 1.00 0.00 C ATOM 632 O ASN A 41 -9.077 11.274 -11.868 1.00 0.00 O ATOM 633 CB ASN A 41 -10.347 10.983 -9.368 1.00 0.00 C ATOM 634 CG ASN A 41 -9.997 9.541 -9.716 1.00 0.00 C ATOM 635 OD1 ASN A 41 -8.875 9.239 -10.117 1.00 0.00 O ATOM 636 ND2 ASN A 41 -10.957 8.637 -9.572 1.00 0.00 N ATOM 0 H ASN A 41 -12.015 10.295 -11.630 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.327 12.732 -10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.438 11.504 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.015 10.986 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.774 7.659 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.878 8.920 -9.237 1.00 0.00 H new ATOM 643 N PRO A 42 -10.249 13.100 -12.418 1.00 0.00 N ATOM 644 CA PRO A 42 -9.340 13.533 -13.468 1.00 0.00 C ATOM 645 C PRO A 42 -8.312 14.541 -12.954 1.00 0.00 C ATOM 646 O PRO A 42 -7.393 14.940 -13.673 1.00 0.00 O ATOM 647 CB PRO A 42 -10.279 14.192 -14.490 1.00 0.00 C ATOM 648 CG PRO A 42 -11.618 14.327 -13.817 1.00 0.00 C ATOM 649 CD PRO A 42 -11.431 13.959 -12.370 1.00 0.00 C ATOM 0 HA PRO A 42 -8.753 12.710 -13.877 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.898 15.167 -14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.358 13.585 -15.392 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.993 15.346 -13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.352 13.673 -14.288 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.271 14.837 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.298 13.435 -11.968 1.00 0.00 H new ATOM 657 N SER A 43 -8.484 14.950 -11.706 1.00 0.00 N ATOM 658 CA SER A 43 -7.620 15.939 -11.087 1.00 0.00 C ATOM 659 C SER A 43 -6.541 15.275 -10.235 1.00 0.00 C ATOM 660 O SER A 43 -5.351 15.553 -10.391 1.00 0.00 O ATOM 661 CB SER A 43 -8.474 16.873 -10.231 1.00 0.00 C ATOM 662 OG SER A 43 -9.416 16.127 -9.470 1.00 0.00 O ATOM 0 H SER A 43 -9.226 14.605 -11.096 1.00 0.00 H new ATOM 0 HA SER A 43 -7.115 16.508 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.835 17.451 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.996 17.586 -10.869 1.00 0.00 H new ATOM 0 HG SER A 43 -9.954 16.739 -8.926 1.00 0.00 H new ATOM 668 N ILE A 44 -6.970 14.395 -9.339 1.00 0.00 N ATOM 669 CA ILE A 44 -6.068 13.722 -8.412 1.00 0.00 C ATOM 670 C ILE A 44 -5.018 12.901 -9.159 1.00 0.00 C ATOM 671 O ILE A 44 -5.346 12.069 -10.002 1.00 0.00 O ATOM 672 CB ILE A 44 -6.851 12.806 -7.446 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.962 13.601 -6.750 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.912 12.190 -6.418 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.844 12.764 -5.849 1.00 0.00 C ATOM 0 H ILE A 44 -7.949 14.128 -9.234 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.561 14.495 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.306 11.999 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.510 14.398 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.583 14.078 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.480 11.547 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.151 11.599 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.431 12.982 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.605 13.398 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.327 11.983 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.237 12.308 -5.067 1.00 0.00 H new ATOM 687 N ASN A 45 -3.758 13.152 -8.839 1.00 0.00 N ATOM 688 CA ASN A 45 -2.638 12.491 -9.497 1.00 0.00 C ATOM 689 C ASN A 45 -2.319 11.157 -8.823 1.00 0.00 C ATOM 690 O ASN A 45 -2.141 11.081 -7.601 1.00 0.00 O ATOM 691 CB ASN A 45 -1.421 13.423 -9.486 1.00 0.00 C ATOM 692 CG ASN A 45 -0.146 12.767 -9.983 1.00 0.00 C ATOM 693 OD1 ASN A 45 0.613 12.204 -9.202 1.00 0.00 O ATOM 694 ND2 ASN A 45 0.108 12.844 -11.275 1.00 0.00 N ATOM 0 H ASN A 45 -3.482 13.818 -8.118 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.907 12.274 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.636 14.294 -10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.261 13.785 -8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.959 12.427 -11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.546 13.320 -11.896 1.00 0.00 H new ATOM 701 N VAL A 46 -2.235 10.106 -9.634 1.00 0.00 N ATOM 702 CA VAL A 46 -2.045 8.746 -9.131 1.00 0.00 C ATOM 703 C VAL A 46 -0.670 8.546 -8.494 1.00 0.00 C ATOM 704 O VAL A 46 -0.433 7.550 -7.815 1.00 0.00 O ATOM 705 CB VAL A 46 -2.240 7.701 -10.252 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.649 7.783 -10.820 1.00 0.00 C ATOM 707 CG2 VAL A 46 -1.205 7.885 -11.353 1.00 0.00 C ATOM 0 H VAL A 46 -2.296 10.170 -10.650 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.803 8.601 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.100 6.710 -9.820 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.767 7.040 -11.608 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.372 7.590 -10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.818 8.778 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.364 7.137 -12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.304 8.882 -11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.205 7.768 -10.936 1.00 0.00 H new ATOM 717 N ASN A 47 0.236 9.490 -8.711 1.00 0.00 N ATOM 718 CA ASN A 47 1.568 9.410 -8.124 1.00 0.00 C ATOM 719 C ASN A 47 1.647 10.233 -6.846 1.00 0.00 C ATOM 720 O ASN A 47 2.634 10.169 -6.120 1.00 0.00 O ATOM 721 CB ASN A 47 2.637 9.870 -9.118 1.00 0.00 C ATOM 722 CG ASN A 47 2.875 8.866 -10.229 1.00 0.00 C ATOM 723 OD1 ASN A 47 2.720 7.658 -10.041 1.00 0.00 O ATOM 724 ND2 ASN A 47 3.253 9.358 -11.397 1.00 0.00 N ATOM 0 H ASN A 47 0.075 10.317 -9.286 1.00 0.00 H new ATOM 0 HA ASN A 47 1.758 8.366 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.336 10.823 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.572 10.044 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.427 8.731 -12.182 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.370 10.365 -11.513 1.00 0.00 H new ATOM 731 N GLU A 48 0.611 11.020 -6.584 1.00 0.00 N ATOM 732 CA GLU A 48 0.503 11.734 -5.321 1.00 0.00 C ATOM 733 C GLU A 48 -0.210 10.858 -4.305 1.00 0.00 C ATOM 734 O GLU A 48 -0.043 11.018 -3.097 1.00 0.00 O ATOM 735 CB GLU A 48 -0.242 13.058 -5.495 1.00 0.00 C ATOM 736 CG GLU A 48 0.524 14.086 -6.312 1.00 0.00 C ATOM 737 CD GLU A 48 -0.191 15.418 -6.376 1.00 0.00 C ATOM 738 OE1 GLU A 48 -0.081 16.203 -5.412 1.00 0.00 O ATOM 739 OE2 GLU A 48 -0.875 15.683 -7.383 1.00 0.00 O ATOM 0 H GLU A 48 -0.164 11.179 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 48 1.507 11.963 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.201 12.865 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.458 13.476 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.513 14.228 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.671 13.706 -7.323 1.00 0.00 H new ATOM 746 N LEU A 49 -1.018 9.938 -4.810 1.00 0.00 N ATOM 747 CA LEU A 49 -1.642 8.933 -3.965 1.00 0.00 C ATOM 748 C LEU A 49 -0.629 7.848 -3.622 1.00 0.00 C ATOM 749 O LEU A 49 0.024 7.298 -4.507 1.00 0.00 O ATOM 750 CB LEU A 49 -2.854 8.317 -4.666 1.00 0.00 C ATOM 751 CG LEU A 49 -3.992 9.290 -4.977 1.00 0.00 C ATOM 752 CD1 LEU A 49 -5.110 8.572 -5.713 1.00 0.00 C ATOM 753 CD2 LEU A 49 -4.515 9.925 -3.698 1.00 0.00 C ATOM 0 H LEU A 49 -1.256 9.867 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.982 9.411 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.521 7.862 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.245 7.514 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.607 10.083 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.914 9.276 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.726 8.162 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.493 7.762 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.324 10.614 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.887 9.147 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.709 10.469 -3.206 1.00 0.00 H new ATOM 765 N PHE A 50 -0.492 7.548 -2.342 1.00 0.00 N ATOM 766 CA PHE A 50 0.471 6.551 -1.896 1.00 0.00 C ATOM 767 C PHE A 50 -0.174 5.552 -0.949 1.00 0.00 C ATOM 768 O PHE A 50 -1.205 5.834 -0.335 1.00 0.00 O ATOM 769 CB PHE A 50 1.654 7.211 -1.183 1.00 0.00 C ATOM 770 CG PHE A 50 2.587 7.964 -2.087 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.445 7.283 -2.935 1.00 0.00 C ATOM 772 CD2 PHE A 50 2.620 9.349 -2.076 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.315 7.969 -3.760 1.00 0.00 C ATOM 774 CE2 PHE A 50 3.490 10.040 -2.896 1.00 0.00 C ATOM 775 CZ PHE A 50 4.340 9.350 -3.738 1.00 0.00 C ATOM 0 H PHE A 50 -1.034 7.979 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 50 0.826 6.030 -2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.270 7.896 -0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.220 6.442 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.434 6.203 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.958 9.894 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.975 7.427 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.506 11.120 -2.879 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.023 9.889 -4.378 1.00 0.00 H new ATOM 785 N ALA A 51 0.435 4.382 -0.848 1.00 0.00 N ATOM 786 CA ALA A 51 0.059 3.401 0.151 1.00 0.00 C ATOM 787 C ALA A 51 1.283 3.071 0.984 1.00 0.00 C ATOM 788 O ALA A 51 2.256 2.527 0.473 1.00 0.00 O ATOM 789 CB ALA A 51 -0.508 2.152 -0.504 1.00 0.00 C ATOM 0 H ALA A 51 1.201 4.088 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.721 3.809 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.783 1.431 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.391 2.415 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.243 1.713 -1.161 1.00 0.00 H new ATOM 795 N TYR A 52 1.256 3.424 2.251 1.00 0.00 N ATOM 796 CA TYR A 52 2.443 3.306 3.073 1.00 0.00 C ATOM 797 C TYR A 52 2.233 2.352 4.234 1.00 0.00 C ATOM 798 O TYR A 52 1.103 2.060 4.620 1.00 0.00 O ATOM 799 CB TYR A 52 2.877 4.684 3.588 1.00 0.00 C ATOM 800 CG TYR A 52 1.877 5.383 4.481 1.00 0.00 C ATOM 801 CD1 TYR A 52 1.855 5.152 5.850 1.00 0.00 C ATOM 802 CD2 TYR A 52 0.969 6.292 3.954 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.959 5.809 6.669 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.069 6.950 4.765 1.00 0.00 C ATOM 805 CZ TYR A 52 0.067 6.704 6.121 1.00 0.00 C ATOM 806 OH TYR A 52 -0.825 7.368 6.933 1.00 0.00 O ATOM 0 H TYR A 52 0.435 3.792 2.731 1.00 0.00 H new ATOM 0 HA TYR A 52 3.235 2.894 2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.812 4.571 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.085 5.325 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.550 4.447 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.968 6.487 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.957 5.622 7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.631 7.654 4.340 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.382 7.963 6.389 1.00 0.00 H new ATOM 816 N VAL A 53 3.333 1.861 4.773 1.00 0.00 N ATOM 817 CA VAL A 53 3.302 1.068 5.985 1.00 0.00 C ATOM 818 C VAL A 53 3.971 1.834 7.116 1.00 0.00 C ATOM 819 O VAL A 53 4.987 2.510 6.911 1.00 0.00 O ATOM 820 CB VAL A 53 3.989 -0.306 5.808 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.176 -1.195 4.881 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.409 -0.145 5.281 1.00 0.00 C ATOM 0 H VAL A 53 4.266 2.000 4.386 1.00 0.00 H new ATOM 0 HA VAL A 53 2.255 0.880 6.225 1.00 0.00 H new ATOM 0 HB VAL A 53 4.044 -0.782 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.676 -2.157 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.183 -1.349 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.086 -0.717 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.868 -1.127 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.384 0.359 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.993 0.448 5.984 1.00 0.00 H new ATOM 832 N ASP A 54 3.385 1.753 8.294 1.00 0.00 N ATOM 833 CA ASP A 54 3.924 2.430 9.460 1.00 0.00 C ATOM 834 C ASP A 54 4.616 1.411 10.348 1.00 0.00 C ATOM 835 O ASP A 54 3.966 0.596 11.001 1.00 0.00 O ATOM 836 CB ASP A 54 2.807 3.141 10.228 1.00 0.00 C ATOM 837 CG ASP A 54 3.337 4.094 11.278 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.791 3.627 12.343 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.292 5.323 11.047 1.00 0.00 O ATOM 0 H ASP A 54 2.532 1.223 8.471 1.00 0.00 H new ATOM 0 HA ASP A 54 4.646 3.183 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.182 3.692 9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.170 2.397 10.706 1.00 0.00 H new ATOM 844 N LEU A 55 5.938 1.443 10.357 1.00 0.00 N ATOM 845 CA LEU A 55 6.716 0.443 11.068 1.00 0.00 C ATOM 846 C LEU A 55 7.158 0.962 12.429 1.00 0.00 C ATOM 847 O LEU A 55 8.310 0.786 12.831 1.00 0.00 O ATOM 848 CB LEU A 55 7.931 0.023 10.234 1.00 0.00 C ATOM 849 CG LEU A 55 7.598 -0.596 8.872 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.867 -1.033 8.161 1.00 0.00 C ATOM 851 CD2 LEU A 55 6.649 -1.774 9.032 1.00 0.00 C ATOM 0 H LEU A 55 6.495 2.151 9.879 1.00 0.00 H new ATOM 0 HA LEU A 55 6.083 -0.430 11.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.563 0.897 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.517 -0.694 10.809 1.00 0.00 H new ATOM 0 HG LEU A 55 7.103 0.163 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.611 -1.470 7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.514 -0.169 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.388 -1.774 8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.427 -2.198 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.115 -2.534 9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.724 -1.435 9.499 1.00 0.00 H new ATOM 863 N SER A 56 6.228 1.604 13.132 1.00 0.00 N ATOM 864 CA SER A 56 6.468 2.055 14.494 1.00 0.00 C ATOM 865 C SER A 56 6.878 0.869 15.356 1.00 0.00 C ATOM 866 O SER A 56 7.825 0.946 16.144 1.00 0.00 O ATOM 867 CB SER A 56 5.206 2.718 15.057 1.00 0.00 C ATOM 868 OG SER A 56 5.451 3.298 16.328 1.00 0.00 O ATOM 0 H SER A 56 5.298 1.823 12.776 1.00 0.00 H new ATOM 0 HA SER A 56 7.273 2.790 14.497 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.857 3.485 14.366 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.410 1.978 15.140 1.00 0.00 H new ATOM 0 HG SER A 56 4.629 3.715 16.661 1.00 0.00 H new ATOM 874 N GLY A 57 6.165 -0.232 15.183 1.00 0.00 N ATOM 875 CA GLY A 57 6.538 -1.468 15.832 1.00 0.00 C ATOM 876 C GLY A 57 7.571 -2.216 15.018 1.00 0.00 C ATOM 877 O GLY A 57 7.272 -3.248 14.420 1.00 0.00 O ATOM 0 H GLY A 57 5.330 -0.291 14.601 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.935 -1.256 16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.655 -2.092 15.968 1.00 0.00 H new ATOM 881 N SER A 58 8.782 -1.673 14.971 1.00 0.00 N ATOM 882 CA SER A 58 9.864 -2.272 14.210 1.00 0.00 C ATOM 883 C SER A 58 10.324 -3.576 14.857 1.00 0.00 C ATOM 884 O SER A 58 11.174 -3.587 15.750 1.00 0.00 O ATOM 885 CB SER A 58 11.021 -1.278 14.077 1.00 0.00 C ATOM 886 OG SER A 58 11.260 -0.604 15.304 1.00 0.00 O ATOM 0 H SER A 58 9.037 -0.813 15.456 1.00 0.00 H new ATOM 0 HA SER A 58 9.502 -2.513 13.210 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.923 -1.805 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.792 -0.551 13.298 1.00 0.00 H new ATOM 0 HG SER A 58 11.327 -1.259 16.030 1.00 0.00 H new ATOM 892 N GLU A 59 9.722 -4.668 14.419 1.00 0.00 N ATOM 893 CA GLU A 59 10.009 -5.980 14.964 1.00 0.00 C ATOM 894 C GLU A 59 10.584 -6.884 13.873 1.00 0.00 C ATOM 895 O GLU A 59 9.987 -7.030 12.805 1.00 0.00 O ATOM 896 CB GLU A 59 8.721 -6.563 15.548 1.00 0.00 C ATOM 897 CG GLU A 59 8.895 -7.887 16.264 1.00 0.00 C ATOM 898 CD GLU A 59 7.637 -8.300 16.996 1.00 0.00 C ATOM 899 OE1 GLU A 59 6.536 -8.169 16.419 1.00 0.00 O ATOM 900 OE2 GLU A 59 7.738 -8.762 18.150 1.00 0.00 O ATOM 0 H GLU A 59 9.022 -4.669 13.677 1.00 0.00 H new ATOM 0 HA GLU A 59 10.753 -5.905 15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.295 -5.841 16.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.999 -6.693 14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.165 -8.658 15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.720 -7.811 16.973 1.00 0.00 H new ATOM 907 N PRO A 60 11.766 -7.475 14.121 1.00 0.00 N ATOM 908 CA PRO A 60 12.464 -8.321 13.142 1.00 0.00 C ATOM 909 C PRO A 60 11.674 -9.573 12.772 1.00 0.00 C ATOM 910 O PRO A 60 10.897 -10.094 13.576 1.00 0.00 O ATOM 911 CB PRO A 60 13.769 -8.709 13.852 1.00 0.00 C ATOM 912 CG PRO A 60 13.917 -7.730 14.963 1.00 0.00 C ATOM 913 CD PRO A 60 12.522 -7.367 15.378 1.00 0.00 C ATOM 0 HA PRO A 60 12.615 -7.792 12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.722 -9.730 14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.618 -8.661 13.170 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.472 -8.164 15.795 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.469 -6.849 14.636 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.138 -8.045 16.140 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.473 -6.360 15.793 1.00 0.00 H new ATOM 921 N GLY A 61 11.880 -10.051 11.554 1.00 0.00 N ATOM 922 CA GLY A 61 11.180 -11.225 11.084 1.00 0.00 C ATOM 923 C GLY A 61 10.029 -10.856 10.175 1.00 0.00 C ATOM 924 O GLY A 61 9.825 -9.677 9.880 1.00 0.00 O ATOM 0 H GLY A 61 12.526 -9.642 10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.874 -11.874 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.805 -11.792 11.936 1.00 0.00 H new ATOM 928 N GLU A 62 9.279 -11.850 9.727 1.00 0.00 N ATOM 929 CA GLU A 62 8.135 -11.605 8.865 1.00 0.00 C ATOM 930 C GLU A 62 6.896 -11.344 9.709 1.00 0.00 C ATOM 931 O GLU A 62 6.359 -12.254 10.338 1.00 0.00 O ATOM 932 CB GLU A 62 7.900 -12.793 7.931 1.00 0.00 C ATOM 933 CG GLU A 62 9.083 -13.094 7.030 1.00 0.00 C ATOM 934 CD GLU A 62 8.813 -14.238 6.079 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.270 -13.991 4.980 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.141 -15.391 6.423 1.00 0.00 O ATOM 0 H GLU A 62 9.442 -12.833 9.946 1.00 0.00 H new ATOM 0 HA GLU A 62 8.340 -10.726 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.674 -13.676 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.024 -12.593 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.335 -12.202 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.951 -13.334 7.644 1.00 0.00 H new ATOM 943 N HIS A 63 6.462 -10.095 9.739 1.00 0.00 N ATOM 944 CA HIS A 63 5.306 -9.714 10.536 1.00 0.00 C ATOM 945 C HIS A 63 4.253 -9.041 9.673 1.00 0.00 C ATOM 946 O HIS A 63 4.573 -8.386 8.682 1.00 0.00 O ATOM 947 CB HIS A 63 5.719 -8.798 11.692 1.00 0.00 C ATOM 948 CG HIS A 63 6.503 -9.503 12.754 1.00 0.00 C ATOM 949 ND1 HIS A 63 5.917 -10.071 13.863 1.00 0.00 N ATOM 950 CD2 HIS A 63 7.828 -9.754 12.860 1.00 0.00 C ATOM 951 CE1 HIS A 63 6.847 -10.645 14.603 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.013 -10.467 14.017 1.00 0.00 N ATOM 0 H HIS A 63 6.891 -9.328 9.222 1.00 0.00 H new ATOM 0 HA HIS A 63 4.874 -10.622 10.957 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.313 -7.973 11.299 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.825 -8.362 12.139 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.596 -9.450 12.164 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.680 -11.171 15.531 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.909 -10.805 14.367 1.00 0.00 H new ATOM 961 N ASP A 64 2.997 -9.220 10.048 1.00 0.00 N ATOM 962 CA ASP A 64 1.879 -8.683 9.285 1.00 0.00 C ATOM 963 C ASP A 64 1.650 -7.216 9.625 1.00 0.00 C ATOM 964 O ASP A 64 1.204 -6.888 10.727 1.00 0.00 O ATOM 965 CB ASP A 64 0.601 -9.481 9.566 1.00 0.00 C ATOM 966 CG ASP A 64 0.753 -10.960 9.279 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.939 -11.330 8.101 1.00 0.00 O ATOM 968 OD2 ASP A 64 0.688 -11.766 10.233 1.00 0.00 O ATOM 0 H ASP A 64 2.723 -9.737 10.883 1.00 0.00 H new ATOM 0 HA ASP A 64 2.125 -8.767 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.317 -9.346 10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.212 -9.080 8.960 1.00 0.00 H new ATOM 973 N TYR A 65 1.959 -6.340 8.680 1.00 0.00 N ATOM 974 CA TYR A 65 1.770 -4.909 8.868 1.00 0.00 C ATOM 975 C TYR A 65 0.658 -4.399 7.959 1.00 0.00 C ATOM 976 O TYR A 65 0.470 -4.901 6.849 1.00 0.00 O ATOM 977 CB TYR A 65 3.072 -4.150 8.597 1.00 0.00 C ATOM 978 CG TYR A 65 4.196 -4.530 9.536 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.205 -4.088 10.854 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.244 -5.337 9.109 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.226 -4.440 11.718 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.268 -5.690 9.966 1.00 0.00 C ATOM 983 CZ TYR A 65 6.253 -5.241 11.270 1.00 0.00 C ATOM 984 OH TYR A 65 7.266 -5.603 12.130 1.00 0.00 O ATOM 0 H TYR A 65 2.344 -6.597 7.771 1.00 0.00 H new ATOM 0 HA TYR A 65 1.482 -4.734 9.905 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.387 -4.338 7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.884 -3.080 8.681 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.402 -3.460 11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.258 -5.694 8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.218 -4.088 12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.077 -6.315 9.617 1.00 0.00 H new ATOM 0 HH TYR A 65 7.231 -5.041 12.932 1.00 0.00 H new ATOM 994 N GLU A 66 -0.076 -3.409 8.436 1.00 0.00 N ATOM 995 CA GLU A 66 -1.239 -2.898 7.724 1.00 0.00 C ATOM 996 C GLU A 66 -0.836 -1.933 6.614 1.00 0.00 C ATOM 997 O GLU A 66 -0.004 -1.048 6.816 1.00 0.00 O ATOM 998 CB GLU A 66 -2.171 -2.197 8.711 1.00 0.00 C ATOM 999 CG GLU A 66 -2.655 -3.105 9.830 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.154 -2.332 11.030 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -2.337 -2.034 11.927 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.362 -2.024 11.089 1.00 0.00 O ATOM 0 H GLU A 66 0.113 -2.938 9.321 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.754 -3.740 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.653 -1.342 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.033 -1.806 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.455 -3.743 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.841 -3.762 10.138 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.431 -2.115 5.445 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.218 -1.219 4.322 1.00 0.00 C ATOM 1011 C VAL A 67 -2.108 0.006 4.478 1.00 0.00 C ATOM 1012 O VAL A 67 -3.336 -0.095 4.418 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.529 -1.915 2.976 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.299 -0.974 1.800 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.691 -3.175 2.823 1.00 0.00 C ATOM 0 H VAL A 67 -2.072 -2.884 5.250 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.169 -0.924 4.316 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.583 -2.194 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.526 -1.493 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.948 -0.104 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.258 -0.651 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.922 -3.652 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.367 -2.914 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.916 -3.863 3.638 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.491 1.150 4.708 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.233 2.372 4.943 1.00 0.00 C ATOM 1027 C LYS A 68 -2.209 3.243 3.690 1.00 0.00 C ATOM 1028 O LYS A 68 -1.170 3.777 3.308 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.639 3.118 6.145 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.604 4.085 6.817 1.00 0.00 C ATOM 1031 CD LYS A 68 -2.971 5.241 5.906 1.00 0.00 C ATOM 1032 CE LYS A 68 -4.088 6.079 6.496 1.00 0.00 C ATOM 1033 NZ LYS A 68 -4.553 7.123 5.549 1.00 0.00 N ATOM 0 H LYS A 68 -0.477 1.257 4.737 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.271 2.130 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.302 2.388 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.758 3.670 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.508 3.551 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.153 4.472 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.094 5.867 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.278 4.856 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.924 5.433 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.742 6.551 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.422 7.562 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.816 7.849 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.747 6.690 4.623 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.362 3.384 3.061 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.478 4.164 1.838 1.00 0.00 C ATOM 1049 C VAL A 69 -3.858 5.609 2.161 1.00 0.00 C ATOM 1050 O VAL A 69 -4.613 5.864 3.104 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.533 3.552 0.888 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.558 4.279 -0.449 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.274 2.066 0.684 1.00 0.00 C ATOM 0 H VAL A 69 -4.237 2.967 3.378 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.509 4.149 1.340 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.511 3.672 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.310 3.826 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.803 5.329 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.579 4.204 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.027 1.654 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.284 1.925 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.325 1.553 1.644 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.306 6.549 1.401 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.654 7.957 1.541 1.00 0.00 C ATOM 1065 C GLU A 70 -5.149 8.172 1.328 1.00 0.00 C ATOM 1066 O GLU A 70 -5.752 7.560 0.447 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.863 8.809 0.545 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.447 9.122 0.996 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.422 9.965 2.255 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -1.628 11.194 2.160 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.195 9.407 3.345 1.00 0.00 O ATOM 0 H GLU A 70 -2.612 6.359 0.678 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.397 8.264 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.823 8.289 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.396 9.745 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.909 8.191 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.921 9.647 0.199 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.764 9.037 2.147 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.189 9.348 2.035 1.00 0.00 C ATOM 1080 C PRO A 71 -7.510 10.056 0.724 1.00 0.00 C ATOM 1081 O PRO A 71 -6.783 10.954 0.294 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.456 10.273 3.227 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.126 10.840 3.585 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.115 9.785 3.238 1.00 0.00 C ATOM 0 HA PRO A 71 -7.807 8.450 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.162 11.061 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.888 9.723 4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.934 11.760 3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.081 11.089 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.170 10.224 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.896 9.143 4.091 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.592 9.641 0.085 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.974 10.203 -1.197 1.00 0.00 C ATOM 1094 C ILE A 72 -10.315 10.921 -1.082 1.00 0.00 C ATOM 1095 O ILE A 72 -11.354 10.288 -0.880 1.00 0.00 O ATOM 1096 CB ILE A 72 -9.065 9.116 -2.289 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.792 8.264 -2.305 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.287 9.760 -3.650 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.842 7.108 -3.283 1.00 0.00 C ATOM 0 H ILE A 72 -9.220 8.917 0.434 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.200 10.915 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.911 8.466 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.943 8.901 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.615 7.873 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.350 8.985 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.215 10.331 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.455 10.426 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.906 6.552 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.670 6.448 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.987 7.492 -4.293 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.305 12.256 -1.181 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.523 13.064 -1.115 1.00 0.00 C ATOM 1113 C PRO A 73 -12.448 12.798 -2.298 1.00 0.00 C ATOM 1114 O PRO A 73 -11.986 12.669 -3.436 1.00 0.00 O ATOM 1115 CB PRO A 73 -11.011 14.512 -1.155 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.553 14.426 -0.850 1.00 0.00 C ATOM 1117 CD PRO A 73 -9.105 13.087 -1.357 1.00 0.00 C ATOM 0 HA PRO A 73 -12.110 12.837 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.182 14.962 -2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.529 15.132 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.004 15.232 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.372 14.519 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.794 13.133 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.259 12.701 -0.789 1.00 0.00 H new ATOM 1125 N ASN A 74 -13.749 12.693 -2.009 1.00 0.00 N ATOM 1126 CA ASN A 74 -14.793 12.485 -3.025 1.00 0.00 C ATOM 1127 C ASN A 74 -14.788 11.063 -3.584 1.00 0.00 C ATOM 1128 O ASN A 74 -15.838 10.435 -3.704 1.00 0.00 O ATOM 1129 CB ASN A 74 -14.681 13.496 -4.175 1.00 0.00 C ATOM 1130 CG ASN A 74 -14.976 14.913 -3.731 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -15.746 15.134 -2.794 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -14.368 15.882 -4.395 1.00 0.00 N ATOM 0 H ASN A 74 -14.113 12.750 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.742 12.643 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.677 13.452 -4.597 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.373 13.216 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.529 16.856 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.738 15.656 -5.165 1.00 0.00 H new ATOM 1139 N ILE A 75 -13.611 10.554 -3.907 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.498 9.244 -4.527 1.00 0.00 C ATOM 1141 C ILE A 75 -13.504 8.155 -3.467 1.00 0.00 C ATOM 1142 O ILE A 75 -12.755 8.214 -2.493 1.00 0.00 O ATOM 1143 CB ILE A 75 -12.206 9.130 -5.362 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -12.056 10.349 -6.272 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.208 7.847 -6.182 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -13.242 10.588 -7.178 1.00 0.00 C ATOM 0 H ILE A 75 -12.721 11.027 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.356 9.118 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.355 9.097 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.899 11.234 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.163 10.225 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.288 7.786 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.273 6.988 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.064 7.847 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -13.059 11.470 -7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.388 9.721 -7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.135 10.745 -6.574 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.360 7.167 -3.664 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.502 6.084 -2.707 1.00 0.00 C ATOM 1160 C LYS A 76 -13.414 5.041 -2.915 1.00 0.00 C ATOM 1161 O LYS A 76 -13.034 4.746 -4.047 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.872 5.427 -2.855 1.00 0.00 C ATOM 1163 CG LYS A 76 -17.032 6.401 -2.743 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.364 5.683 -2.850 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.527 6.645 -2.699 1.00 0.00 C ATOM 1166 NZ LYS A 76 -20.828 5.932 -2.619 1.00 0.00 N ATOM 0 H LYS A 76 -14.968 7.093 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.407 6.500 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.922 4.926 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.980 4.657 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.976 6.929 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.957 7.152 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.430 5.179 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.426 4.912 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.387 7.246 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.541 7.333 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.597 6.624 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.974 5.378 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.824 5.294 -1.798 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.904 4.500 -1.821 1.00 0.00 N ATOM 1181 CA ILE A 77 -11.952 3.411 -1.899 1.00 0.00 C ATOM 1182 C ILE A 77 -12.684 2.088 -1.673 1.00 0.00 C ATOM 1183 O ILE A 77 -13.207 1.817 -0.590 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.775 3.594 -0.909 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.760 2.458 -1.064 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.266 3.688 0.531 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.473 2.689 -0.301 1.00 0.00 C ATOM 0 H ILE A 77 -13.134 4.798 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.507 3.406 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.281 4.535 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.213 1.527 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.528 2.330 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.414 3.816 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.937 4.541 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.799 2.774 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.801 1.845 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.997 3.602 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.693 2.787 0.762 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.749 1.287 -2.720 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.584 0.098 -2.728 1.00 0.00 C ATOM 1201 C VAL A 78 -12.859 -1.100 -2.136 1.00 0.00 C ATOM 1202 O VAL A 78 -13.360 -1.755 -1.219 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.029 -0.247 -4.164 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.019 -1.396 -4.168 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -14.619 0.974 -4.846 1.00 0.00 C ATOM 0 H VAL A 78 -12.229 1.440 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.457 0.319 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.149 -0.563 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.315 -1.617 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.555 -2.278 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.899 -1.120 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.927 0.712 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.484 1.323 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.870 1.765 -4.888 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.677 -1.380 -2.659 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.922 -2.553 -2.245 1.00 0.00 C ATOM 1217 C GLU A 79 -9.472 -2.204 -1.985 1.00 0.00 C ATOM 1218 O GLU A 79 -8.915 -1.313 -2.625 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.979 -3.647 -3.313 1.00 0.00 C ATOM 1220 CG GLU A 79 -12.367 -4.195 -3.581 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.333 -5.393 -4.503 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -12.379 -5.206 -5.735 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -12.246 -6.531 -3.999 1.00 0.00 O ATOM 0 H GLU A 79 -11.219 -0.812 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.378 -2.918 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.574 -3.250 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.331 -4.469 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.834 -4.477 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.986 -3.414 -4.023 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.876 -2.908 -1.037 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.451 -2.813 -0.781 1.00 0.00 C ATOM 1232 C ILE A 80 -6.863 -4.215 -0.789 1.00 0.00 C ATOM 1233 O ILE A 80 -7.181 -5.036 0.070 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.146 -2.130 0.574 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -7.838 -0.765 0.658 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.643 -1.976 0.764 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.630 -0.053 1.979 1.00 0.00 C ATOM 0 H ILE A 80 -9.367 -3.560 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.003 -2.198 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.534 -2.762 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.468 -0.131 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.907 -0.900 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.445 -1.494 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.172 -2.959 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.235 -1.365 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.150 0.905 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.026 -0.666 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.565 0.115 2.138 1.00 0.00 H new ATOM 1249 N SER A 81 -6.050 -4.513 -1.783 1.00 0.00 N ATOM 1250 CA SER A 81 -5.488 -5.841 -1.917 1.00 0.00 C ATOM 1251 C SER A 81 -3.972 -5.783 -2.084 1.00 0.00 C ATOM 1252 O SER A 81 -3.472 -5.357 -3.131 1.00 0.00 O ATOM 1253 CB SER A 81 -6.126 -6.553 -3.108 1.00 0.00 C ATOM 1254 OG SER A 81 -7.542 -6.560 -2.992 1.00 0.00 O ATOM 0 H SER A 81 -5.765 -3.855 -2.508 1.00 0.00 H new ATOM 0 HA SER A 81 -5.702 -6.400 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.835 -6.056 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.756 -7.577 -3.166 1.00 0.00 H new ATOM 0 HG SER A 81 -7.931 -7.019 -3.765 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.210 -6.194 -1.056 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.733 -6.630 0.241 1.00 0.00 C ATOM 1262 C PRO A 82 -3.882 -5.471 1.227 1.00 0.00 C ATOM 1263 O PRO A 82 -3.360 -4.380 1.000 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.658 -7.612 0.741 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.520 -7.527 -0.237 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.756 -6.304 -1.078 1.00 0.00 C ATOM 0 HA PRO A 82 -4.729 -7.064 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.328 -7.348 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.052 -8.627 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.566 -7.458 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.478 -8.421 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.274 -5.421 -0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.372 -6.425 -2.091 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.592 -5.716 2.318 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.755 -4.716 3.368 1.00 0.00 C ATOM 1276 C ARG A 83 -3.692 -4.910 4.436 1.00 0.00 C ATOM 1277 O ARG A 83 -3.295 -3.968 5.112 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.135 -4.825 4.012 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.284 -4.577 3.054 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.610 -4.939 3.688 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.610 -6.324 4.155 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.672 -6.942 4.664 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.836 -6.311 4.757 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.561 -8.192 5.088 1.00 0.00 N ATOM 0 H ARG A 83 -5.066 -6.600 2.502 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.652 -3.729 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.245 -5.819 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.199 -4.111 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.294 -3.528 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.139 -5.164 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.811 -4.270 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.413 -4.796 2.965 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.739 -6.851 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.920 -5.346 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.646 -6.791 5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.665 -8.675 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.372 -8.672 5.479 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.250 -6.147 4.587 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.218 -6.483 5.555 1.00 0.00 C ATOM 1300 C VAL A 84 -1.132 -7.306 4.876 1.00 0.00 C ATOM 1301 O VAL A 84 -1.404 -8.379 4.336 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.793 -7.277 6.752 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.710 -7.572 7.775 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.944 -6.524 7.402 1.00 0.00 C ATOM 0 H VAL A 84 -3.593 -6.942 4.047 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.801 -5.551 5.938 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.175 -8.224 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.138 -8.131 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.921 -8.162 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.293 -6.635 8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.330 -7.103 8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.590 -5.558 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.738 -6.371 6.671 1.00 0.00 H new ATOM 1314 N VAL A 85 0.089 -6.797 4.890 1.00 0.00 N ATOM 1315 CA VAL A 85 1.200 -7.465 4.231 1.00 0.00 C ATOM 1316 C VAL A 85 2.218 -7.971 5.244 1.00 0.00 C ATOM 1317 O VAL A 85 2.571 -7.274 6.194 1.00 0.00 O ATOM 1318 CB VAL A 85 1.908 -6.540 3.214 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.013 -6.275 2.015 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.325 -5.228 3.867 1.00 0.00 C ATOM 0 H VAL A 85 0.337 -5.922 5.351 1.00 0.00 H new ATOM 0 HA VAL A 85 0.776 -8.313 3.692 1.00 0.00 H new ATOM 0 HB VAL A 85 2.808 -7.049 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.530 -5.622 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.773 -7.218 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.093 -5.794 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.821 -4.596 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.442 -4.715 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.011 -5.433 4.689 1.00 0.00 H new ATOM 1330 N THR A 86 2.671 -9.195 5.047 1.00 0.00 N ATOM 1331 CA THR A 86 3.697 -9.765 5.894 1.00 0.00 C ATOM 1332 C THR A 86 5.072 -9.310 5.416 1.00 0.00 C ATOM 1333 O THR A 86 5.573 -9.783 4.393 1.00 0.00 O ATOM 1334 CB THR A 86 3.629 -11.302 5.884 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.257 -11.725 5.889 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.347 -11.884 7.091 1.00 0.00 C ATOM 0 H THR A 86 2.342 -9.813 4.305 1.00 0.00 H new ATOM 0 HA THR A 86 3.530 -9.419 6.914 1.00 0.00 H new ATOM 0 HB THR A 86 4.122 -11.663 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.891 -11.636 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.285 -12.972 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.393 -11.579 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.878 -11.519 8.005 1.00 0.00 H new ATOM 1344 N LEU A 87 5.660 -8.371 6.138 1.00 0.00 N ATOM 1345 CA LEU A 87 6.949 -7.817 5.762 1.00 0.00 C ATOM 1346 C LEU A 87 8.058 -8.424 6.604 1.00 0.00 C ATOM 1347 O LEU A 87 7.934 -8.530 7.825 1.00 0.00 O ATOM 1348 CB LEU A 87 6.948 -6.294 5.917 1.00 0.00 C ATOM 1349 CG LEU A 87 5.964 -5.545 5.016 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.022 -4.051 5.291 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.262 -5.826 3.550 1.00 0.00 C ATOM 0 H LEU A 87 5.263 -7.976 6.990 1.00 0.00 H new ATOM 0 HA LEU A 87 7.130 -8.062 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.721 -6.051 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.953 -5.924 5.715 1.00 0.00 H new ATOM 0 HG LEU A 87 4.957 -5.899 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.316 -3.534 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.762 -3.862 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.030 -3.684 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.552 -5.285 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.275 -5.499 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.172 -6.895 3.359 1.00 0.00 H new ATOM 1363 N GLN A 88 9.127 -8.835 5.943 1.00 0.00 N ATOM 1364 CA GLN A 88 10.275 -9.407 6.625 1.00 0.00 C ATOM 1365 C GLN A 88 11.300 -8.331 6.957 1.00 0.00 C ATOM 1366 O GLN A 88 11.959 -7.790 6.066 1.00 0.00 O ATOM 1367 CB GLN A 88 10.905 -10.501 5.761 1.00 0.00 C ATOM 1368 CG GLN A 88 12.262 -10.976 6.254 1.00 0.00 C ATOM 1369 CD GLN A 88 12.710 -12.254 5.579 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.304 -12.553 4.454 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.576 -12.999 6.246 1.00 0.00 N ATOM 0 H GLN A 88 9.223 -8.783 4.929 1.00 0.00 H new ATOM 0 HA GLN A 88 9.937 -9.849 7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.226 -11.353 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.010 -10.129 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.003 -10.196 6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.218 -11.134 7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.885 -12.713 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.935 -13.859 5.831 1.00 0.00 H new ATOM 1380 N LEU A 89 11.412 -8.012 8.235 1.00 0.00 N ATOM 1381 CA LEU A 89 12.396 -7.045 8.695 1.00 0.00 C ATOM 1382 C LEU A 89 13.663 -7.747 9.141 1.00 0.00 C ATOM 1383 O LEU A 89 13.645 -8.578 10.049 1.00 0.00 O ATOM 1384 CB LEU A 89 11.840 -6.193 9.835 1.00 0.00 C ATOM 1385 CG LEU A 89 10.737 -5.219 9.431 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.253 -4.438 10.640 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.233 -4.269 8.353 1.00 0.00 C ATOM 0 H LEU A 89 10.833 -8.409 8.975 1.00 0.00 H new ATOM 0 HA LEU A 89 12.632 -6.386 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.454 -6.856 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.659 -5.627 10.279 1.00 0.00 H new ATOM 0 HG LEU A 89 9.902 -5.792 9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.466 -3.747 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.861 -5.129 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.084 -3.876 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.433 -3.582 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.084 -3.702 8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.538 -4.841 7.477 1.00 0.00 H new ATOM 1399 N GLU A 90 14.757 -7.404 8.498 1.00 0.00 N ATOM 1400 CA GLU A 90 16.046 -8.005 8.789 1.00 0.00 C ATOM 1401 C GLU A 90 16.958 -7.005 9.484 1.00 0.00 C ATOM 1402 O GLU A 90 16.823 -5.793 9.299 1.00 0.00 O ATOM 1403 CB GLU A 90 16.701 -8.505 7.501 1.00 0.00 C ATOM 1404 CG GLU A 90 15.984 -9.688 6.869 1.00 0.00 C ATOM 1405 CD GLU A 90 16.013 -10.920 7.748 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.111 -11.477 7.954 1.00 0.00 O ATOM 1407 OE2 GLU A 90 14.946 -11.334 8.245 1.00 0.00 O ATOM 0 H GLU A 90 14.782 -6.702 7.759 1.00 0.00 H new ATOM 0 HA GLU A 90 15.887 -8.852 9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.738 -7.687 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.732 -8.788 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 90 14.949 -9.415 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.447 -9.919 5.910 1.00 0.00 H new ATOM 1414 N HIS A 91 17.880 -7.518 10.286 1.00 0.00 N ATOM 1415 CA HIS A 91 18.820 -6.678 11.013 1.00 0.00 C ATOM 1416 C HIS A 91 20.004 -6.335 10.113 1.00 0.00 C ATOM 1417 O HIS A 91 20.908 -7.151 9.917 1.00 0.00 O ATOM 1418 CB HIS A 91 19.287 -7.396 12.288 1.00 0.00 C ATOM 1419 CG HIS A 91 20.175 -6.578 13.181 1.00 0.00 C ATOM 1420 ND1 HIS A 91 19.717 -5.917 14.301 1.00 0.00 N ATOM 1421 CD2 HIS A 91 21.508 -6.345 13.134 1.00 0.00 C ATOM 1422 CE1 HIS A 91 20.727 -5.317 14.900 1.00 0.00 C ATOM 1423 NE2 HIS A 91 21.829 -5.560 14.214 1.00 0.00 N ATOM 0 H HIS A 91 17.997 -8.518 10.450 1.00 0.00 H new ATOM 0 HA HIS A 91 18.329 -5.750 11.306 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.410 -7.705 12.856 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.819 -8.304 12.003 1.00 0.00 H new ATOM 0 HD2 HIS A 91 22.194 -6.710 12.384 1.00 0.00 H new ATOM 0 HE1 HIS A 91 20.664 -4.725 15.801 1.00 0.00 H new ATOM 0 HE2 HIS A 91 22.762 -5.221 14.447 1.00 0.00 H new ATOM 1432 N HIS A 92 19.984 -5.137 9.553 1.00 0.00 N ATOM 1433 CA HIS A 92 21.013 -4.713 8.611 1.00 0.00 C ATOM 1434 C HIS A 92 22.142 -3.981 9.334 1.00 0.00 C ATOM 1435 O HIS A 92 21.895 -3.166 10.223 1.00 0.00 O ATOM 1436 CB HIS A 92 20.390 -3.818 7.531 1.00 0.00 C ATOM 1437 CG HIS A 92 21.356 -3.352 6.480 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.804 -4.155 5.457 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.961 -2.156 6.304 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.643 -3.475 4.701 1.00 0.00 C ATOM 1441 NE2 HIS A 92 22.760 -2.256 5.192 1.00 0.00 N ATOM 0 H HIS A 92 19.265 -4.437 9.734 1.00 0.00 H new ATOM 0 HA HIS A 92 21.439 -5.596 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.580 -4.364 7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.945 -2.946 8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.838 -1.281 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.150 -3.853 3.826 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.345 -1.513 4.810 1.00 0.00 H new ATOM 1450 N HIS A 93 23.377 -4.280 8.952 1.00 0.00 N ATOM 1451 CA HIS A 93 24.543 -3.640 9.554 1.00 0.00 C ATOM 1452 C HIS A 93 24.741 -2.245 8.977 1.00 0.00 C ATOM 1453 O HIS A 93 24.532 -2.024 7.786 1.00 0.00 O ATOM 1454 CB HIS A 93 25.802 -4.480 9.327 1.00 0.00 C ATOM 1455 CG HIS A 93 25.836 -5.751 10.119 1.00 0.00 C ATOM 1456 ND1 HIS A 93 26.698 -5.955 11.172 1.00 0.00 N ATOM 1457 CD2 HIS A 93 25.105 -6.886 10.009 1.00 0.00 C ATOM 1458 CE1 HIS A 93 26.498 -7.157 11.675 1.00 0.00 C ATOM 1459 NE2 HIS A 93 25.536 -7.745 10.990 1.00 0.00 N ATOM 0 H HIS A 93 23.599 -4.962 8.227 1.00 0.00 H new ATOM 0 HA HIS A 93 24.367 -3.559 10.627 1.00 0.00 H new ATOM 0 HB2 HIS A 93 25.879 -4.722 8.267 1.00 0.00 H new ATOM 0 HB3 HIS A 93 26.677 -3.882 9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 93 24.328 -7.079 9.285 1.00 0.00 H new ATOM 0 HE1 HIS A 93 27.032 -7.588 12.509 1.00 0.00 H new ATOM 0 HE2 HIS A 93 25.172 -8.683 11.161 1.00 0.00 H new ATOM 1468 N HIS A 94 25.131 -1.304 9.821 1.00 0.00 N ATOM 1469 CA HIS A 94 25.302 0.077 9.390 1.00 0.00 C ATOM 1470 C HIS A 94 26.762 0.439 9.192 1.00 0.00 C ATOM 1471 O HIS A 94 27.626 0.057 9.983 1.00 0.00 O ATOM 1472 CB HIS A 94 24.707 1.048 10.410 1.00 0.00 C ATOM 1473 CG HIS A 94 23.225 1.206 10.322 1.00 0.00 C ATOM 1474 ND1 HIS A 94 22.623 2.273 9.695 1.00 0.00 N ATOM 1475 CD2 HIS A 94 22.224 0.445 10.812 1.00 0.00 C ATOM 1476 CE1 HIS A 94 21.317 2.162 9.806 1.00 0.00 C ATOM 1477 NE2 HIS A 94 21.041 1.061 10.485 1.00 0.00 N ATOM 0 H HIS A 94 25.335 -1.469 10.807 1.00 0.00 H new ATOM 0 HA HIS A 94 24.780 0.162 8.437 1.00 0.00 H new ATOM 0 HB2 HIS A 94 24.964 0.705 11.412 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.172 2.025 10.278 1.00 0.00 H new ATOM 0 HD1 HIS A 94 23.113 3.031 9.219 1.00 0.00 H new ATOM 0 HD2 HIS A 94 22.333 -0.479 11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 94 20.590 2.855 9.409 1.00 0.00 H new ATOM 1486 N HIS A 95 27.033 1.160 8.118 1.00 0.00 N ATOM 1487 CA HIS A 95 28.275 1.903 8.000 1.00 0.00 C ATOM 1488 C HIS A 95 28.006 3.305 8.515 1.00 0.00 C ATOM 1489 O HIS A 95 28.866 3.955 9.111 1.00 0.00 O ATOM 1490 CB HIS A 95 28.771 1.961 6.550 1.00 0.00 C ATOM 1491 CG HIS A 95 29.133 0.629 5.967 1.00 0.00 C ATOM 1492 ND1 HIS A 95 30.219 -0.108 6.383 1.00 0.00 N ATOM 1493 CD2 HIS A 95 28.547 -0.093 4.984 1.00 0.00 C ATOM 1494 CE1 HIS A 95 30.286 -1.222 5.680 1.00 0.00 C ATOM 1495 NE2 HIS A 95 29.285 -1.240 4.824 1.00 0.00 N ATOM 0 H HIS A 95 26.410 1.247 7.315 1.00 0.00 H new ATOM 0 HA HIS A 95 29.055 1.408 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 95 27.997 2.417 5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 95 29.643 2.614 6.503 1.00 0.00 H new ATOM 0 HD2 HIS A 95 27.663 0.182 4.428 1.00 0.00 H new ATOM 0 HE1 HIS A 95 31.036 -1.991 5.788 1.00 0.00 H new ATOM 0 HE2 HIS A 95 29.090 -1.983 4.153 1.00 0.00 H new ATOM 1504 N HIS A 96 26.776 3.747 8.287 1.00 0.00 N ATOM 1505 CA HIS A 96 26.276 5.011 8.799 1.00 0.00 C ATOM 1506 C HIS A 96 24.840 4.821 9.257 1.00 0.00 C ATOM 1507 O HIS A 96 24.051 4.220 8.493 1.00 0.00 O ATOM 1508 CB HIS A 96 26.349 6.113 7.738 1.00 0.00 C ATOM 1509 CG HIS A 96 27.743 6.567 7.430 1.00 0.00 C ATOM 1510 ND1 HIS A 96 28.416 6.207 6.284 1.00 0.00 N ATOM 1511 CD2 HIS A 96 28.588 7.364 8.123 1.00 0.00 C ATOM 1512 CE1 HIS A 96 29.612 6.760 6.285 1.00 0.00 C ATOM 1513 NE2 HIS A 96 29.745 7.471 7.389 1.00 0.00 N ATOM 1514 OXT HIS A 96 24.509 5.253 10.374 1.00 0.00 O ATOM 0 H HIS A 96 26.092 3.230 7.735 1.00 0.00 H new ATOM 0 HA HIS A 96 26.900 5.322 9.637 1.00 0.00 H new ATOM 0 HB2 HIS A 96 25.884 5.752 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 96 25.765 6.969 8.076 1.00 0.00 H new ATOM 0 HD2 HIS A 96 28.390 7.830 9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 96 30.358 6.650 5.512 1.00 0.00 H new ATOM 0 HE2 HIS A 96 30.569 8.010 7.653 1.00 0.00 H new TER 1523 HIS A 96