USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 793 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.036) USER MOD Set 2.1: A 10 CYS SG : rot -41:sc= -3.24! USER MOD Set 2.2: A 60 LYS NZ :NH3+ 171:sc= 1.65 (180deg=1.3) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0595) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 1.1 (180deg=1.02) USER MOD Single : A 7 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-5.6!) USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.738 USER MOD Single : A 16 GLN : amide:sc= -0.0912 X(o=-0.091,f=-0.16) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.263 K(o=0.26,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0931) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -33:sc= 0.681 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 44 SER OG : rot 180:sc= -0.15 USER MOD Single : A 46 GLN : amide:sc= -0.413 K(o=-0.41,f=-6.1!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.404 K(o=0.4,f=-4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00456 X(o=-0.0046,f=-0.055) USER MOD Single : A 56 THR OG1 : rot 10:sc= 1.12 USER MOD Single : A 61 GLN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 68 SER OG : rot -31:sc= 0.67 USER MOD Single : A 80 THR OG1 : rot 168:sc= -0.517 USER MOD Single : A 82 GLN : amide:sc= 0.614 K(o=0.61,f=-0.62) USER MOD Single : A 85 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -133:sc= 1.29 (180deg=0.523) USER MOD Single : A 92 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-0.3) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-5) USER MOD Single : A 96 HIS : no HE2:sc= 0.607 K(o=0.61,f=-3.6!) USER MOD Single : A 97 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.165 -11.628 -23.162 1.00 74.42 N ATOM 2 CA MET A 1 -0.362 -12.839 -22.819 1.00 32.22 C ATOM 3 C MET A 1 -0.329 -13.079 -21.301 1.00 42.05 C ATOM 4 O MET A 1 -0.957 -14.004 -20.789 1.00 65.35 O ATOM 5 CB MET A 1 1.079 -12.700 -23.340 1.00 20.00 C ATOM 6 CG MET A 1 1.205 -12.622 -24.852 1.00 54.33 C ATOM 7 SD MET A 1 2.924 -12.425 -25.375 1.00 61.12 S ATOM 8 CE MET A 1 2.744 -12.392 -27.156 1.00 30.34 C ATOM 0 H1 MET A 1 -1.267 -11.560 -24.195 1.00 74.42 H new ATOM 0 H2 MET A 1 -2.106 -11.700 -22.725 1.00 74.42 H new ATOM 0 H3 MET A 1 -0.682 -10.779 -22.806 1.00 74.42 H new ATOM 0 HA MET A 1 -0.843 -13.692 -23.299 1.00 32.22 H new ATOM 0 HB2 MET A 1 1.523 -11.804 -22.906 1.00 20.00 H new ATOM 0 HB3 MET A 1 1.663 -13.549 -22.984 1.00 20.00 H new ATOM 0 HG2 MET A 1 0.791 -13.526 -25.298 1.00 54.33 H new ATOM 0 HG3 MET A 1 0.614 -11.784 -25.223 1.00 54.33 H new ATOM 0 HE1 MET A 1 3.724 -12.275 -27.619 1.00 30.34 H new ATOM 0 HE2 MET A 1 2.293 -13.325 -27.493 1.00 30.34 H new ATOM 0 HE3 MET A 1 2.106 -11.556 -27.442 1.00 30.34 H new ATOM 20 N ASP A 2 0.413 -12.233 -20.589 1.00 32.34 N ATOM 21 CA ASP A 2 0.597 -12.377 -19.142 1.00 52.21 C ATOM 22 C ASP A 2 -0.399 -11.511 -18.356 1.00 71.44 C ATOM 23 O ASP A 2 -0.299 -10.280 -18.348 1.00 2.12 O ATOM 24 CB ASP A 2 2.028 -11.982 -18.770 1.00 63.54 C ATOM 25 CG ASP A 2 3.070 -12.836 -19.473 1.00 60.44 C ATOM 26 OD1 ASP A 2 3.347 -12.586 -20.666 1.00 23.43 O ATOM 27 OD2 ASP A 2 3.624 -13.757 -18.842 1.00 61.33 O ATOM 0 H ASP A 2 0.901 -11.434 -20.993 1.00 32.34 H new ATOM 0 HA ASP A 2 0.415 -13.419 -18.879 1.00 52.21 H new ATOM 0 HB2 ASP A 2 2.190 -10.935 -19.024 1.00 63.54 H new ATOM 0 HB3 ASP A 2 2.157 -12.072 -17.691 1.00 63.54 H new ATOM 32 N ARG A 3 -1.352 -12.154 -17.684 1.00 53.24 N ATOM 33 CA ARG A 3 -2.337 -11.433 -16.865 1.00 30.22 C ATOM 34 C ARG A 3 -1.683 -10.739 -15.658 1.00 11.15 C ATOM 35 O ARG A 3 -2.246 -9.803 -15.091 1.00 25.24 O ATOM 36 CB ARG A 3 -3.463 -12.376 -16.423 1.00 21.31 C ATOM 37 CG ARG A 3 -4.348 -12.822 -17.580 1.00 54.43 C ATOM 38 CD ARG A 3 -5.443 -13.783 -17.138 1.00 32.45 C ATOM 39 NE ARG A 3 -6.335 -14.121 -18.245 1.00 71.41 N ATOM 40 CZ ARG A 3 -6.204 -15.177 -19.005 1.00 44.31 C ATOM 41 NH1 ARG A 3 -5.247 -16.025 -18.800 1.00 71.31 N ATOM 42 NH2 ARG A 3 -7.034 -15.375 -19.975 1.00 31.25 N ATOM 0 H ARG A 3 -1.467 -13.168 -17.687 1.00 53.24 H new ATOM 0 HA ARG A 3 -2.771 -10.648 -17.484 1.00 30.22 H new ATOM 0 HB2 ARG A 3 -3.029 -13.254 -15.944 1.00 21.31 H new ATOM 0 HB3 ARG A 3 -4.077 -11.876 -15.674 1.00 21.31 H new ATOM 0 HG2 ARG A 3 -4.803 -11.947 -18.044 1.00 54.43 H new ATOM 0 HG3 ARG A 3 -3.732 -13.302 -18.340 1.00 54.43 H new ATOM 0 HD2 ARG A 3 -4.992 -14.693 -16.741 1.00 32.45 H new ATOM 0 HD3 ARG A 3 -6.019 -13.333 -16.329 1.00 32.45 H new ATOM 0 HE ARG A 3 -7.113 -13.490 -18.438 1.00 71.41 H new ATOM 0 HH11 ARG A 3 -4.585 -15.873 -18.039 1.00 71.31 H new ATOM 0 HH12 ARG A 3 -5.155 -16.845 -19.400 1.00 71.31 H new ATOM 0 HH21 ARG A 3 -7.788 -14.709 -20.145 1.00 31.25 H new ATOM 0 HH22 ARG A 3 -6.936 -16.197 -20.570 1.00 31.25 H new ATOM 56 N LYS A 4 -0.486 -11.187 -15.282 1.00 32.11 N ATOM 57 CA LYS A 4 0.326 -10.480 -14.280 1.00 1.14 C ATOM 58 C LYS A 4 0.687 -9.066 -14.775 1.00 13.54 C ATOM 59 O LYS A 4 0.815 -8.131 -13.986 1.00 53.35 O ATOM 60 CB LYS A 4 1.601 -11.277 -13.960 1.00 11.32 C ATOM 61 CG LYS A 4 1.359 -12.522 -13.105 1.00 14.24 C ATOM 62 CD LYS A 4 0.961 -12.158 -11.672 1.00 52.34 C ATOM 63 CE LYS A 4 0.698 -13.393 -10.818 1.00 43.35 C ATOM 64 NZ LYS A 4 -0.524 -14.120 -11.257 1.00 14.01 N ATOM 0 H LYS A 4 -0.054 -12.033 -15.652 1.00 32.11 H new ATOM 0 HA LYS A 4 -0.262 -10.386 -13.367 1.00 1.14 H new ATOM 0 HB2 LYS A 4 2.074 -11.577 -14.895 1.00 11.32 H new ATOM 0 HB3 LYS A 4 2.304 -10.625 -13.443 1.00 11.32 H new ATOM 0 HG2 LYS A 4 0.574 -13.127 -13.558 1.00 14.24 H new ATOM 0 HG3 LYS A 4 2.262 -13.132 -13.088 1.00 14.24 H new ATOM 0 HD2 LYS A 4 1.753 -11.565 -11.216 1.00 52.34 H new ATOM 0 HD3 LYS A 4 0.067 -11.535 -11.692 1.00 52.34 H new ATOM 0 HE2 LYS A 4 1.557 -14.061 -10.872 1.00 43.35 H new ATOM 0 HE3 LYS A 4 0.589 -13.097 -9.775 1.00 43.35 H new ATOM 0 HZ1 LYS A 4 -0.640 -14.981 -10.685 1.00 14.01 H new ATOM 0 HZ2 LYS A 4 -1.355 -13.507 -11.134 1.00 14.01 H new ATOM 0 HZ3 LYS A 4 -0.431 -14.381 -12.260 1.00 14.01 H new ATOM 78 N LEU A 5 0.838 -8.923 -16.092 1.00 14.45 N ATOM 79 CA LEU A 5 1.084 -7.616 -16.719 1.00 53.33 C ATOM 80 C LEU A 5 -0.240 -6.900 -17.049 1.00 62.20 C ATOM 81 O LEU A 5 -0.245 -5.754 -17.502 1.00 61.32 O ATOM 82 CB LEU A 5 1.934 -7.781 -17.995 1.00 54.45 C ATOM 83 CG LEU A 5 3.443 -8.010 -17.775 1.00 51.14 C ATOM 84 CD1 LEU A 5 4.071 -6.822 -17.053 1.00 3.23 C ATOM 85 CD2 LEU A 5 3.700 -9.307 -17.008 1.00 54.05 C ATOM 0 H LEU A 5 0.795 -9.699 -16.752 1.00 14.45 H new ATOM 0 HA LEU A 5 1.634 -7.001 -16.007 1.00 53.33 H new ATOM 0 HB2 LEU A 5 1.538 -8.621 -18.566 1.00 54.45 H new ATOM 0 HB3 LEU A 5 1.807 -6.890 -18.610 1.00 54.45 H new ATOM 0 HG LEU A 5 3.912 -8.103 -18.754 1.00 51.14 H new ATOM 0 HD11 LEU A 5 5.136 -7.005 -16.908 1.00 3.23 H new ATOM 0 HD12 LEU A 5 3.936 -5.920 -17.650 1.00 3.23 H new ATOM 0 HD13 LEU A 5 3.591 -6.690 -16.083 1.00 3.23 H new ATOM 0 HD21 LEU A 5 4.773 -9.441 -16.868 1.00 54.05 H new ATOM 0 HD22 LEU A 5 3.211 -9.257 -16.035 1.00 54.05 H new ATOM 0 HD23 LEU A 5 3.300 -10.149 -17.573 1.00 54.05 H new ATOM 97 N LEU A 6 -1.359 -7.583 -16.817 1.00 51.05 N ATOM 98 CA LEU A 6 -2.694 -7.004 -17.031 1.00 51.42 C ATOM 99 C LEU A 6 -3.353 -6.627 -15.694 1.00 55.30 C ATOM 100 O LEU A 6 -4.579 -6.513 -15.595 1.00 54.40 O ATOM 101 CB LEU A 6 -3.584 -7.999 -17.800 1.00 60.35 C ATOM 102 CG LEU A 6 -3.071 -8.401 -19.196 1.00 34.51 C ATOM 103 CD1 LEU A 6 -4.031 -9.380 -19.866 1.00 22.35 C ATOM 104 CD2 LEU A 6 -2.856 -7.167 -20.071 1.00 72.23 C ATOM 0 H LEU A 6 -1.372 -8.545 -16.478 1.00 51.05 H new ATOM 0 HA LEU A 6 -2.581 -6.095 -17.622 1.00 51.42 H new ATOM 0 HB2 LEU A 6 -3.695 -8.901 -17.199 1.00 60.35 H new ATOM 0 HB3 LEU A 6 -4.577 -7.564 -17.908 1.00 60.35 H new ATOM 0 HG LEU A 6 -2.110 -8.901 -19.072 1.00 34.51 H new ATOM 0 HD11 LEU A 6 -3.648 -9.649 -20.850 1.00 22.35 H new ATOM 0 HD12 LEU A 6 -4.122 -10.277 -19.254 1.00 22.35 H new ATOM 0 HD13 LEU A 6 -5.010 -8.914 -19.973 1.00 22.35 H new ATOM 0 HD21 LEU A 6 -2.494 -7.475 -21.052 1.00 72.23 H new ATOM 0 HD22 LEU A 6 -3.799 -6.632 -20.184 1.00 72.23 H new ATOM 0 HD23 LEU A 6 -2.122 -6.512 -19.602 1.00 72.23 H new ATOM 116 N HIS A 7 -2.526 -6.406 -14.671 1.00 64.44 N ATOM 117 CA HIS A 7 -3.012 -6.052 -13.329 1.00 64.30 C ATOM 118 C HIS A 7 -3.880 -4.780 -13.323 1.00 43.01 C ATOM 119 O HIS A 7 -4.685 -4.580 -12.415 1.00 22.21 O ATOM 120 CB HIS A 7 -1.827 -5.880 -12.365 1.00 51.10 C ATOM 121 CG HIS A 7 -1.269 -7.175 -11.849 1.00 31.24 C ATOM 122 ND1 HIS A 7 -0.120 -7.252 -11.096 1.00 72.13 N ATOM 123 CD2 HIS A 7 -1.742 -8.440 -11.934 1.00 25.13 C ATOM 124 CE1 HIS A 7 0.085 -8.502 -10.739 1.00 32.13 C ATOM 125 NE2 HIS A 7 -0.882 -9.249 -11.232 1.00 50.33 N ATOM 0 H HIS A 7 -1.510 -6.465 -14.743 1.00 64.44 H new ATOM 0 HA HIS A 7 -3.646 -6.874 -12.997 1.00 64.30 H new ATOM 0 HB2 HIS A 7 -1.034 -5.331 -12.874 1.00 51.10 H new ATOM 0 HB3 HIS A 7 -2.145 -5.270 -11.519 1.00 51.10 H new ATOM 0 HD1 HIS A 7 0.479 -6.463 -10.852 1.00 72.13 H new ATOM 0 HD2 HIS A 7 -2.632 -8.756 -12.458 1.00 25.13 H new ATOM 0 HE1 HIS A 7 0.911 -8.857 -10.140 1.00 32.13 H new ATOM 134 N LEU A 8 -3.714 -3.932 -14.338 1.00 33.34 N ATOM 135 CA LEU A 8 -4.477 -2.681 -14.440 1.00 64.04 C ATOM 136 C LEU A 8 -5.962 -2.938 -14.759 1.00 54.51 C ATOM 137 O LEU A 8 -6.818 -2.090 -14.505 1.00 60.20 O ATOM 138 CB LEU A 8 -3.860 -1.783 -15.524 1.00 63.02 C ATOM 139 CG LEU A 8 -2.373 -1.439 -15.335 1.00 14.22 C ATOM 140 CD1 LEU A 8 -1.871 -0.574 -16.490 1.00 71.03 C ATOM 141 CD2 LEU A 8 -2.148 -0.738 -13.999 1.00 42.51 C ATOM 0 H LEU A 8 -3.058 -4.086 -15.104 1.00 33.34 H new ATOM 0 HA LEU A 8 -4.428 -2.182 -13.472 1.00 64.04 H new ATOM 0 HB2 LEU A 8 -3.981 -2.274 -16.490 1.00 63.02 H new ATOM 0 HB3 LEU A 8 -4.427 -0.853 -15.566 1.00 63.02 H new ATOM 0 HG LEU A 8 -1.804 -2.369 -15.331 1.00 14.22 H new ATOM 0 HD11 LEU A 8 -0.817 -0.341 -16.339 1.00 71.03 H new ATOM 0 HD12 LEU A 8 -1.992 -1.115 -17.429 1.00 71.03 H new ATOM 0 HD13 LEU A 8 -2.445 0.352 -16.528 1.00 71.03 H new ATOM 0 HD21 LEU A 8 -1.090 -0.503 -13.885 1.00 42.51 H new ATOM 0 HD22 LEU A 8 -2.729 0.184 -13.969 1.00 42.51 H new ATOM 0 HD23 LEU A 8 -2.464 -1.393 -13.187 1.00 42.51 H new ATOM 153 N LEU A 9 -6.261 -4.109 -15.318 1.00 50.43 N ATOM 154 CA LEU A 9 -7.635 -4.464 -15.701 1.00 61.54 C ATOM 155 C LEU A 9 -8.416 -5.122 -14.553 1.00 73.40 C ATOM 156 O LEU A 9 -9.579 -4.790 -14.308 1.00 74.32 O ATOM 157 CB LEU A 9 -7.615 -5.436 -16.885 1.00 71.43 C ATOM 158 CG LEU A 9 -9.002 -5.939 -17.334 1.00 74.11 C ATOM 159 CD1 LEU A 9 -9.699 -4.906 -18.216 1.00 32.40 C ATOM 160 CD2 LEU A 9 -8.895 -7.287 -18.036 1.00 23.13 C ATOM 0 H LEU A 9 -5.571 -4.833 -15.518 1.00 50.43 H new ATOM 0 HA LEU A 9 -8.134 -3.532 -15.968 1.00 61.54 H new ATOM 0 HB2 LEU A 9 -7.131 -4.947 -17.730 1.00 71.43 H new ATOM 0 HB3 LEU A 9 -7.001 -6.296 -16.620 1.00 71.43 H new ATOM 0 HG LEU A 9 -9.614 -6.080 -16.443 1.00 74.11 H new ATOM 0 HD11 LEU A 9 -10.675 -5.285 -18.519 1.00 32.40 H new ATOM 0 HD12 LEU A 9 -9.827 -3.979 -17.658 1.00 32.40 H new ATOM 0 HD13 LEU A 9 -9.093 -4.716 -19.102 1.00 32.40 H new ATOM 0 HD21 LEU A 9 -9.888 -7.618 -18.342 1.00 23.13 H new ATOM 0 HD22 LEU A 9 -8.258 -7.190 -18.915 1.00 23.13 H new ATOM 0 HD23 LEU A 9 -8.463 -8.019 -17.354 1.00 23.13 H new ATOM 172 N CYS A 10 -7.768 -6.043 -13.842 1.00 43.12 N ATOM 173 CA CYS A 10 -8.482 -6.944 -12.925 1.00 52.11 C ATOM 174 C CYS A 10 -8.871 -6.262 -11.610 1.00 74.42 C ATOM 175 O CYS A 10 -8.052 -5.624 -10.941 1.00 61.42 O ATOM 176 CB CYS A 10 -7.631 -8.181 -12.621 1.00 42.34 C ATOM 177 SG CYS A 10 -8.355 -9.279 -11.379 1.00 54.35 S ATOM 0 H CYS A 10 -6.759 -6.188 -13.879 1.00 43.12 H new ATOM 0 HA CYS A 10 -9.402 -7.237 -13.432 1.00 52.11 H new ATOM 0 HB2 CYS A 10 -7.479 -8.741 -13.543 1.00 42.34 H new ATOM 0 HB3 CYS A 10 -6.648 -7.859 -12.278 1.00 42.34 H new ATOM 0 HG CYS A 10 -8.863 -8.569 -10.415 1.00 54.35 H new ATOM 183 N SER A 11 -10.127 -6.461 -11.223 1.00 40.21 N ATOM 184 CA SER A 11 -10.701 -5.859 -10.010 1.00 54.01 C ATOM 185 C SER A 11 -10.601 -6.815 -8.802 1.00 24.44 C ATOM 186 O SER A 11 -10.127 -7.944 -8.932 1.00 14.00 O ATOM 187 CB SER A 11 -12.175 -5.510 -10.269 1.00 1.11 C ATOM 188 OG SER A 11 -12.932 -6.678 -10.550 1.00 31.31 O ATOM 0 H SER A 11 -10.784 -7.046 -11.740 1.00 40.21 H new ATOM 0 HA SER A 11 -10.135 -4.958 -9.773 1.00 54.01 H new ATOM 0 HB2 SER A 11 -12.591 -5.003 -9.398 1.00 1.11 H new ATOM 0 HB3 SER A 11 -12.246 -4.816 -11.106 1.00 1.11 H new ATOM 0 HG SER A 11 -13.824 -6.422 -10.865 1.00 31.31 H new ATOM 194 N PRO A 12 -10.983 -6.357 -7.588 1.00 53.33 N ATOM 195 CA PRO A 12 -11.159 -7.233 -6.424 1.00 31.42 C ATOM 196 C PRO A 12 -12.637 -7.618 -6.190 1.00 14.14 C ATOM 197 O PRO A 12 -13.037 -7.905 -5.061 1.00 71.11 O ATOM 198 CB PRO A 12 -10.646 -6.336 -5.297 1.00 72.41 C ATOM 199 CG PRO A 12 -11.071 -4.951 -5.697 1.00 32.33 C ATOM 200 CD PRO A 12 -11.202 -4.944 -7.211 1.00 4.42 C ATOM 0 HA PRO A 12 -10.646 -8.190 -6.522 1.00 31.42 H new ATOM 0 HB2 PRO A 12 -11.075 -6.621 -4.336 1.00 72.41 H new ATOM 0 HB3 PRO A 12 -9.563 -6.405 -5.196 1.00 72.41 H new ATOM 0 HG2 PRO A 12 -12.019 -4.688 -5.227 1.00 32.33 H new ATOM 0 HG3 PRO A 12 -10.338 -4.214 -5.370 1.00 32.33 H new ATOM 0 HD2 PRO A 12 -12.185 -4.593 -7.526 1.00 4.42 H new ATOM 0 HD3 PRO A 12 -10.465 -4.287 -7.674 1.00 4.42 H new ATOM 208 N ASP A 13 -13.419 -7.667 -7.273 1.00 72.15 N ATOM 209 CA ASP A 13 -14.878 -7.845 -7.199 1.00 53.54 C ATOM 210 C ASP A 13 -15.292 -9.092 -6.384 1.00 65.32 C ATOM 211 O ASP A 13 -16.099 -9.000 -5.457 1.00 53.24 O ATOM 212 CB ASP A 13 -15.464 -7.912 -8.619 1.00 22.24 C ATOM 213 CG ASP A 13 -15.010 -9.139 -9.395 1.00 10.14 C ATOM 214 OD1 ASP A 13 -13.794 -9.418 -9.425 1.00 72.24 O ATOM 215 OD2 ASP A 13 -15.876 -9.843 -9.959 1.00 73.30 O ATOM 0 H ASP A 13 -13.062 -7.585 -8.225 1.00 72.15 H new ATOM 0 HA ASP A 13 -15.283 -6.982 -6.670 1.00 53.54 H new ATOM 0 HB2 ASP A 13 -16.552 -7.911 -8.557 1.00 22.24 H new ATOM 0 HB3 ASP A 13 -15.175 -7.015 -9.167 1.00 22.24 H new ATOM 220 N THR A 14 -14.741 -10.253 -6.732 1.00 0.05 N ATOM 221 CA THR A 14 -15.050 -11.508 -6.021 1.00 2.13 C ATOM 222 C THR A 14 -14.065 -11.755 -4.869 1.00 10.11 C ATOM 223 O THR A 14 -14.043 -12.830 -4.264 1.00 14.15 O ATOM 224 CB THR A 14 -15.026 -12.722 -6.985 1.00 51.23 C ATOM 225 OG1 THR A 14 -15.446 -13.916 -6.304 1.00 13.54 O ATOM 226 CG2 THR A 14 -13.633 -12.933 -7.569 1.00 14.41 C ATOM 0 H THR A 14 -14.078 -10.359 -7.500 1.00 0.05 H new ATOM 0 HA THR A 14 -16.054 -11.400 -5.611 1.00 2.13 H new ATOM 0 HB THR A 14 -15.718 -12.509 -7.800 1.00 51.23 H new ATOM 0 HG1 THR A 14 -15.105 -13.906 -5.385 1.00 13.54 H new ATOM 0 HG21 THR A 14 -13.646 -13.791 -8.241 1.00 14.41 H new ATOM 0 HG22 THR A 14 -13.332 -12.043 -8.122 1.00 14.41 H new ATOM 0 HG23 THR A 14 -12.924 -13.116 -6.762 1.00 14.41 H new ATOM 234 N ARG A 15 -13.282 -10.728 -4.558 1.00 41.52 N ATOM 235 CA ARG A 15 -12.217 -10.807 -3.557 1.00 24.11 C ATOM 236 C ARG A 15 -11.169 -11.868 -3.919 1.00 33.30 C ATOM 237 O ARG A 15 -11.273 -13.033 -3.522 1.00 11.24 O ATOM 238 CB ARG A 15 -12.784 -11.071 -2.151 1.00 3.25 C ATOM 239 CG ARG A 15 -11.716 -11.100 -1.055 1.00 42.34 C ATOM 240 CD ARG A 15 -12.326 -11.228 0.339 1.00 41.30 C ATOM 241 NE ARG A 15 -13.089 -12.463 0.508 1.00 44.33 N ATOM 242 CZ ARG A 15 -14.080 -12.601 1.350 1.00 34.41 C ATOM 243 NH1 ARG A 15 -14.506 -11.590 2.042 1.00 63.25 N ATOM 244 NH2 ARG A 15 -14.659 -13.744 1.480 1.00 52.02 N ATOM 0 H ARG A 15 -13.366 -9.810 -4.994 1.00 41.52 H new ATOM 0 HA ARG A 15 -11.721 -9.836 -3.550 1.00 24.11 H new ATOM 0 HB2 ARG A 15 -13.516 -10.299 -1.913 1.00 3.25 H new ATOM 0 HB3 ARG A 15 -13.314 -12.023 -2.155 1.00 3.25 H new ATOM 0 HG2 ARG A 15 -11.039 -11.935 -1.232 1.00 42.34 H new ATOM 0 HG3 ARG A 15 -11.119 -10.189 -1.107 1.00 42.34 H new ATOM 0 HD2 ARG A 15 -11.531 -11.192 1.084 1.00 41.30 H new ATOM 0 HD3 ARG A 15 -12.978 -10.374 0.526 1.00 41.30 H new ATOM 0 HE ARG A 15 -12.833 -13.266 -0.066 1.00 44.33 H new ATOM 0 HH11 ARG A 15 -14.067 -10.676 1.932 1.00 63.25 H new ATOM 0 HH12 ARG A 15 -15.280 -11.709 2.696 1.00 63.25 H new ATOM 0 HH21 ARG A 15 -14.345 -14.541 0.926 1.00 52.02 H new ATOM 0 HH22 ARG A 15 -15.432 -13.852 2.137 1.00 52.02 H new ATOM 258 N GLN A 16 -10.184 -11.466 -4.714 1.00 32.21 N ATOM 259 CA GLN A 16 -9.005 -12.297 -4.952 1.00 72.35 C ATOM 260 C GLN A 16 -8.273 -12.535 -3.622 1.00 11.12 C ATOM 261 O GLN A 16 -8.138 -11.601 -2.829 1.00 2.14 O ATOM 262 CB GLN A 16 -8.076 -11.616 -5.970 1.00 52.43 C ATOM 263 CG GLN A 16 -8.687 -11.453 -7.359 1.00 12.50 C ATOM 264 CD GLN A 16 -9.009 -12.785 -8.018 1.00 14.24 C ATOM 265 OE1 GLN A 16 -10.098 -13.326 -7.864 1.00 12.11 O ATOM 266 NE2 GLN A 16 -8.060 -13.332 -8.752 1.00 64.40 N ATOM 0 H GLN A 16 -10.176 -10.572 -5.205 1.00 32.21 H new ATOM 0 HA GLN A 16 -9.313 -13.258 -5.363 1.00 72.35 H new ATOM 0 HB2 GLN A 16 -7.796 -10.633 -5.590 1.00 52.43 H new ATOM 0 HB3 GLN A 16 -7.158 -12.198 -6.054 1.00 52.43 H new ATOM 0 HG2 GLN A 16 -9.598 -10.860 -7.283 1.00 12.50 H new ATOM 0 HG3 GLN A 16 -7.996 -10.896 -7.992 1.00 12.50 H new ATOM 0 HE21 GLN A 16 -7.163 -12.858 -8.862 1.00 64.40 H new ATOM 0 HE22 GLN A 16 -8.222 -14.229 -9.210 1.00 64.40 H new ATOM 275 N PRO A 17 -7.790 -13.774 -3.375 1.00 35.50 N ATOM 276 CA PRO A 17 -7.205 -14.176 -2.081 1.00 54.54 C ATOM 277 C PRO A 17 -6.447 -13.049 -1.352 1.00 33.44 C ATOM 278 O PRO A 17 -5.388 -12.601 -1.793 1.00 2.54 O ATOM 279 CB PRO A 17 -6.264 -15.302 -2.492 1.00 20.23 C ATOM 280 CG PRO A 17 -6.969 -15.973 -3.627 1.00 72.30 C ATOM 281 CD PRO A 17 -7.764 -14.896 -4.340 1.00 51.13 C ATOM 0 HA PRO A 17 -7.970 -14.460 -1.358 1.00 54.54 H new ATOM 0 HB2 PRO A 17 -5.292 -14.916 -2.799 1.00 20.23 H new ATOM 0 HB3 PRO A 17 -6.087 -15.994 -1.668 1.00 20.23 H new ATOM 0 HG2 PRO A 17 -6.255 -16.440 -4.305 1.00 72.30 H new ATOM 0 HG3 PRO A 17 -7.626 -16.763 -3.263 1.00 72.30 H new ATOM 0 HD2 PRO A 17 -7.291 -14.605 -5.278 1.00 51.13 H new ATOM 0 HD3 PRO A 17 -8.770 -15.237 -4.583 1.00 51.13 H new ATOM 289 N LEU A 18 -7.017 -12.593 -0.236 1.00 13.35 N ATOM 290 CA LEU A 18 -6.481 -11.452 0.518 1.00 23.42 C ATOM 291 C LEU A 18 -5.708 -11.929 1.763 1.00 62.24 C ATOM 292 O LEU A 18 -6.197 -12.763 2.529 1.00 14.32 O ATOM 293 CB LEU A 18 -7.649 -10.515 0.900 1.00 62.52 C ATOM 294 CG LEU A 18 -7.287 -9.117 1.464 1.00 41.20 C ATOM 295 CD1 LEU A 18 -6.932 -9.176 2.950 1.00 70.34 C ATOM 296 CD2 LEU A 18 -6.151 -8.484 0.661 1.00 64.45 C ATOM 0 H LEU A 18 -7.859 -13.000 0.172 1.00 13.35 H new ATOM 0 HA LEU A 18 -5.772 -10.903 -0.102 1.00 23.42 H new ATOM 0 HB2 LEU A 18 -8.269 -10.371 0.015 1.00 62.52 H new ATOM 0 HB3 LEU A 18 -8.264 -11.028 1.640 1.00 62.52 H new ATOM 0 HG LEU A 18 -8.172 -8.489 1.365 1.00 41.20 H new ATOM 0 HD11 LEU A 18 -6.685 -8.176 3.305 1.00 70.34 H new ATOM 0 HD12 LEU A 18 -7.783 -9.561 3.512 1.00 70.34 H new ATOM 0 HD13 LEU A 18 -6.075 -9.834 3.093 1.00 70.34 H new ATOM 0 HD21 LEU A 18 -5.915 -7.504 1.075 1.00 64.45 H new ATOM 0 HD22 LEU A 18 -5.269 -9.122 0.713 1.00 64.45 H new ATOM 0 HD23 LEU A 18 -6.458 -8.374 -0.379 1.00 64.45 H new ATOM 308 N SER A 19 -4.497 -11.402 1.951 1.00 34.02 N ATOM 309 CA SER A 19 -3.650 -11.792 3.091 1.00 44.31 C ATOM 310 C SER A 19 -2.920 -10.590 3.700 1.00 41.31 C ATOM 311 O SER A 19 -3.014 -9.473 3.197 1.00 63.13 O ATOM 312 CB SER A 19 -2.614 -12.841 2.656 1.00 31.41 C ATOM 313 OG SER A 19 -3.236 -14.032 2.200 1.00 3.31 O ATOM 0 H SER A 19 -4.078 -10.706 1.334 1.00 34.02 H new ATOM 0 HA SER A 19 -4.311 -12.213 3.849 1.00 44.31 H new ATOM 0 HB2 SER A 19 -1.990 -12.429 1.863 1.00 31.41 H new ATOM 0 HB3 SER A 19 -1.955 -13.072 3.493 1.00 31.41 H new ATOM 0 HG SER A 19 -2.549 -14.677 1.930 1.00 3.31 H new ATOM 319 N LEU A 20 -2.196 -10.829 4.792 1.00 41.43 N ATOM 320 CA LEU A 20 -1.401 -9.783 5.442 1.00 44.25 C ATOM 321 C LEU A 20 -0.137 -9.491 4.611 1.00 21.35 C ATOM 322 O LEU A 20 0.539 -10.412 4.145 1.00 54.01 O ATOM 323 CB LEU A 20 -1.022 -10.224 6.872 1.00 34.34 C ATOM 324 CG LEU A 20 -0.823 -9.097 7.907 1.00 45.24 C ATOM 325 CD1 LEU A 20 0.321 -8.160 7.520 1.00 33.22 C ATOM 326 CD2 LEU A 20 -2.120 -8.315 8.103 1.00 51.23 C ATOM 0 H LEU A 20 -2.142 -11.740 5.248 1.00 41.43 H new ATOM 0 HA LEU A 20 -1.992 -8.869 5.506 1.00 44.25 H new ATOM 0 HB2 LEU A 20 -1.800 -10.893 7.241 1.00 34.34 H new ATOM 0 HB3 LEU A 20 -0.101 -10.805 6.818 1.00 34.34 H new ATOM 0 HG LEU A 20 -0.550 -9.566 8.852 1.00 45.24 H new ATOM 0 HD11 LEU A 20 0.426 -7.382 8.276 1.00 33.22 H new ATOM 0 HD12 LEU A 20 1.249 -8.728 7.452 1.00 33.22 H new ATOM 0 HD13 LEU A 20 0.105 -7.701 6.555 1.00 33.22 H new ATOM 0 HD21 LEU A 20 -1.961 -7.524 8.836 1.00 51.23 H new ATOM 0 HD22 LEU A 20 -2.426 -7.874 7.154 1.00 51.23 H new ATOM 0 HD23 LEU A 20 -2.900 -8.988 8.459 1.00 51.23 H new ATOM 338 N LEU A 21 0.177 -8.210 4.424 1.00 33.43 N ATOM 339 CA LEU A 21 1.339 -7.804 3.621 1.00 2.15 C ATOM 340 C LEU A 21 2.670 -8.232 4.267 1.00 50.31 C ATOM 341 O LEU A 21 2.969 -7.876 5.409 1.00 3.31 O ATOM 342 CB LEU A 21 1.315 -6.284 3.392 1.00 2.24 C ATOM 343 CG LEU A 21 2.482 -5.710 2.563 1.00 74.00 C ATOM 344 CD1 LEU A 21 2.597 -6.409 1.209 1.00 75.40 C ATOM 345 CD2 LEU A 21 2.312 -4.203 2.375 1.00 24.42 C ATOM 0 H LEU A 21 -0.354 -7.432 4.816 1.00 33.43 H new ATOM 0 HA LEU A 21 1.271 -8.315 2.661 1.00 2.15 H new ATOM 0 HB2 LEU A 21 0.380 -6.026 2.895 1.00 2.24 H new ATOM 0 HB3 LEU A 21 1.307 -5.790 4.363 1.00 2.24 H new ATOM 0 HG LEU A 21 3.406 -5.892 3.112 1.00 74.00 H new ATOM 0 HD11 LEU A 21 3.429 -5.982 0.649 1.00 75.40 H new ATOM 0 HD12 LEU A 21 2.772 -7.474 1.363 1.00 75.40 H new ATOM 0 HD13 LEU A 21 1.673 -6.271 0.648 1.00 75.40 H new ATOM 0 HD21 LEU A 21 3.144 -3.813 1.788 1.00 24.42 H new ATOM 0 HD22 LEU A 21 1.376 -4.005 1.854 1.00 24.42 H new ATOM 0 HD23 LEU A 21 2.295 -3.714 3.349 1.00 24.42 H new ATOM 357 N GLU A 22 3.453 -9.009 3.520 1.00 23.44 N ATOM 358 CA GLU A 22 4.776 -9.459 3.972 1.00 42.51 C ATOM 359 C GLU A 22 5.773 -8.288 4.081 1.00 75.03 C ATOM 360 O GLU A 22 5.609 -7.256 3.423 1.00 24.24 O ATOM 361 CB GLU A 22 5.319 -10.531 3.012 1.00 22.41 C ATOM 362 CG GLU A 22 5.319 -10.106 1.544 1.00 34.41 C ATOM 363 CD GLU A 22 5.932 -11.151 0.623 1.00 45.23 C ATOM 364 OE1 GLU A 22 5.513 -12.326 0.679 1.00 33.24 O ATOM 365 OE2 GLU A 22 6.842 -10.807 -0.160 1.00 42.22 O ATOM 0 H GLU A 22 3.195 -9.344 2.592 1.00 23.44 H new ATOM 0 HA GLU A 22 4.662 -9.886 4.968 1.00 42.51 H new ATOM 0 HB2 GLU A 22 6.337 -10.786 3.306 1.00 22.41 H new ATOM 0 HB3 GLU A 22 4.721 -11.436 3.118 1.00 22.41 H new ATOM 0 HG2 GLU A 22 4.295 -9.908 1.229 1.00 34.41 H new ATOM 0 HG3 GLU A 22 5.870 -9.171 1.442 1.00 34.41 H new ATOM 372 N SER A 23 6.816 -8.470 4.893 1.00 1.21 N ATOM 373 CA SER A 23 7.819 -7.413 5.143 1.00 41.34 C ATOM 374 C SER A 23 8.411 -6.862 3.838 1.00 42.04 C ATOM 375 O SER A 23 8.589 -5.652 3.690 1.00 1.45 O ATOM 376 CB SER A 23 8.956 -7.941 6.030 1.00 11.21 C ATOM 377 OG SER A 23 9.718 -8.931 5.353 1.00 25.34 O ATOM 0 H SER A 23 6.995 -9.340 5.394 1.00 1.21 H new ATOM 0 HA SER A 23 7.300 -6.602 5.655 1.00 41.34 H new ATOM 0 HB2 SER A 23 9.605 -7.116 6.323 1.00 11.21 H new ATOM 0 HB3 SER A 23 8.541 -8.361 6.946 1.00 11.21 H new ATOM 0 HG SER A 23 10.436 -9.249 5.939 1.00 25.34 H new ATOM 383 N LYS A 24 8.686 -7.760 2.889 1.00 62.33 N ATOM 384 CA LYS A 24 9.241 -7.387 1.576 1.00 41.22 C ATOM 385 C LYS A 24 8.396 -6.294 0.895 1.00 30.13 C ATOM 386 O LYS A 24 8.932 -5.311 0.377 1.00 1.41 O ATOM 387 CB LYS A 24 9.318 -8.637 0.681 1.00 2.54 C ATOM 388 CG LYS A 24 9.650 -8.355 -0.787 1.00 53.52 C ATOM 389 CD LYS A 24 11.029 -7.726 -0.967 1.00 44.52 C ATOM 390 CE LYS A 24 12.153 -8.653 -0.519 1.00 54.15 C ATOM 391 NZ LYS A 24 13.489 -8.078 -0.820 1.00 43.01 N ATOM 0 H LYS A 24 8.533 -8.762 3.003 1.00 62.33 H new ATOM 0 HA LYS A 24 10.241 -6.981 1.727 1.00 41.22 H new ATOM 0 HB2 LYS A 24 10.072 -9.311 1.087 1.00 2.54 H new ATOM 0 HB3 LYS A 24 8.363 -9.161 0.729 1.00 2.54 H new ATOM 0 HG2 LYS A 24 9.603 -9.286 -1.352 1.00 53.52 H new ATOM 0 HG3 LYS A 24 8.894 -7.690 -1.205 1.00 53.52 H new ATOM 0 HD2 LYS A 24 11.173 -7.466 -2.016 1.00 44.52 H new ATOM 0 HD3 LYS A 24 11.079 -6.797 -0.398 1.00 44.52 H new ATOM 0 HE2 LYS A 24 12.068 -8.837 0.552 1.00 54.15 H new ATOM 0 HE3 LYS A 24 12.051 -9.617 -1.017 1.00 54.15 H new ATOM 0 HZ1 LYS A 24 14.230 -8.735 -0.502 1.00 43.01 H new ATOM 0 HZ2 LYS A 24 13.578 -7.926 -1.845 1.00 43.01 H new ATOM 0 HZ3 LYS A 24 13.596 -7.170 -0.324 1.00 43.01 H new ATOM 405 N GLY A 25 7.080 -6.478 0.898 1.00 21.50 N ATOM 406 CA GLY A 25 6.184 -5.464 0.354 1.00 53.33 C ATOM 407 C GLY A 25 6.023 -4.263 1.284 1.00 14.32 C ATOM 408 O GLY A 25 6.089 -3.114 0.846 1.00 34.34 O ATOM 0 H GLY A 25 6.615 -7.308 1.266 1.00 21.50 H new ATOM 0 HA2 GLY A 25 6.567 -5.125 -0.609 1.00 53.33 H new ATOM 0 HA3 GLY A 25 5.206 -5.909 0.169 1.00 53.33 H new ATOM 412 N LEU A 26 5.836 -4.538 2.573 1.00 3.24 N ATOM 413 CA LEU A 26 5.585 -3.494 3.577 1.00 1.01 C ATOM 414 C LEU A 26 6.667 -2.402 3.547 1.00 22.24 C ATOM 415 O LEU A 26 6.354 -1.205 3.538 1.00 53.41 O ATOM 416 CB LEU A 26 5.506 -4.118 4.977 1.00 50.14 C ATOM 417 CG LEU A 26 5.115 -3.151 6.112 1.00 62.53 C ATOM 418 CD1 LEU A 26 3.724 -2.563 5.878 1.00 44.03 C ATOM 419 CD2 LEU A 26 5.180 -3.857 7.466 1.00 1.11 C ATOM 0 H LEU A 26 5.853 -5.484 2.954 1.00 3.24 H new ATOM 0 HA LEU A 26 4.632 -3.023 3.334 1.00 1.01 H new ATOM 0 HB2 LEU A 26 4.783 -4.933 4.952 1.00 50.14 H new ATOM 0 HB3 LEU A 26 6.474 -4.558 5.215 1.00 50.14 H new ATOM 0 HG LEU A 26 5.831 -2.329 6.116 1.00 62.53 H new ATOM 0 HD11 LEU A 26 3.474 -1.885 6.694 1.00 44.03 H new ATOM 0 HD12 LEU A 26 3.714 -2.016 4.935 1.00 44.03 H new ATOM 0 HD13 LEU A 26 2.991 -3.368 5.838 1.00 44.03 H new ATOM 0 HD21 LEU A 26 4.901 -3.158 8.254 1.00 1.11 H new ATOM 0 HD22 LEU A 26 4.491 -4.702 7.469 1.00 1.11 H new ATOM 0 HD23 LEU A 26 6.194 -4.215 7.641 1.00 1.11 H new ATOM 431 N GLU A 27 7.935 -2.810 3.517 1.00 40.23 N ATOM 432 CA GLU A 27 9.045 -1.856 3.430 1.00 72.40 C ATOM 433 C GLU A 27 8.974 -1.038 2.128 1.00 11.24 C ATOM 434 O GLU A 27 9.292 0.147 2.115 1.00 50.43 O ATOM 435 CB GLU A 27 10.399 -2.576 3.531 1.00 1.33 C ATOM 436 CG GLU A 27 10.608 -3.654 2.472 1.00 13.53 C ATOM 437 CD GLU A 27 11.993 -4.278 2.526 1.00 53.45 C ATOM 438 OE1 GLU A 27 12.298 -4.996 3.504 1.00 12.24 O ATOM 439 OE2 GLU A 27 12.790 -4.047 1.591 1.00 62.44 O ATOM 0 H GLU A 27 8.221 -3.789 3.551 1.00 40.23 H new ATOM 0 HA GLU A 27 8.954 -1.170 4.272 1.00 72.40 H new ATOM 0 HB2 GLU A 27 11.198 -1.839 3.448 1.00 1.33 H new ATOM 0 HB3 GLU A 27 10.485 -3.029 4.518 1.00 1.33 H new ATOM 0 HG2 GLU A 27 9.858 -4.434 2.603 1.00 13.53 H new ATOM 0 HG3 GLU A 27 10.449 -3.221 1.484 1.00 13.53 H new ATOM 446 N ALA A 28 8.520 -1.675 1.044 1.00 12.15 N ATOM 447 CA ALA A 28 8.411 -1.006 -0.259 1.00 20.21 C ATOM 448 C ALA A 28 7.339 0.092 -0.235 1.00 51.42 C ATOM 449 O ALA A 28 7.537 1.183 -0.777 1.00 61.01 O ATOM 450 CB ALA A 28 8.112 -2.021 -1.355 1.00 41.51 C ATOM 0 H ALA A 28 8.222 -2.651 1.041 1.00 12.15 H new ATOM 0 HA ALA A 28 9.369 -0.532 -0.473 1.00 20.21 H new ATOM 0 HB1 ALA A 28 8.034 -1.509 -2.314 1.00 41.51 H new ATOM 0 HB2 ALA A 28 8.916 -2.755 -1.400 1.00 41.51 H new ATOM 0 HB3 ALA A 28 7.171 -2.526 -1.136 1.00 41.51 H new ATOM 456 N LEU A 29 6.203 -0.204 0.401 1.00 50.24 N ATOM 457 CA LEU A 29 5.144 0.792 0.592 1.00 12.45 C ATOM 458 C LEU A 29 5.663 1.999 1.392 1.00 12.24 C ATOM 459 O LEU A 29 5.548 3.138 0.951 1.00 73.53 O ATOM 460 CB LEU A 29 3.928 0.168 1.304 1.00 4.23 C ATOM 461 CG LEU A 29 2.934 -0.593 0.402 1.00 14.24 C ATOM 462 CD1 LEU A 29 2.252 0.356 -0.580 1.00 2.02 C ATOM 463 CD2 LEU A 29 3.621 -1.735 -0.343 1.00 61.11 C ATOM 0 H LEU A 29 5.992 -1.122 0.792 1.00 50.24 H new ATOM 0 HA LEU A 29 4.831 1.138 -0.393 1.00 12.45 H new ATOM 0 HB2 LEU A 29 4.292 -0.518 2.069 1.00 4.23 H new ATOM 0 HB3 LEU A 29 3.387 0.962 1.819 1.00 4.23 H new ATOM 0 HG LEU A 29 2.170 -1.026 1.047 1.00 14.24 H new ATOM 0 HD11 LEU A 29 1.556 -0.205 -1.204 1.00 2.02 H new ATOM 0 HD12 LEU A 29 1.707 1.122 -0.027 1.00 2.02 H new ATOM 0 HD13 LEU A 29 3.005 0.830 -1.210 1.00 2.02 H new ATOM 0 HD21 LEU A 29 2.893 -2.251 -0.969 1.00 61.11 H new ATOM 0 HD22 LEU A 29 4.418 -1.334 -0.969 1.00 61.11 H new ATOM 0 HD23 LEU A 29 4.043 -2.437 0.376 1.00 61.11 H new ATOM 475 N ASN A 30 6.258 1.733 2.559 1.00 22.22 N ATOM 476 CA ASN A 30 6.824 2.795 3.405 1.00 32.52 C ATOM 477 C ASN A 30 7.909 3.606 2.666 1.00 62.34 C ATOM 478 O ASN A 30 8.005 4.823 2.835 1.00 41.01 O ATOM 479 CB ASN A 30 7.387 2.202 4.705 1.00 35.41 C ATOM 480 CG ASN A 30 6.291 1.839 5.693 1.00 3.03 C ATOM 481 OD1 ASN A 30 5.924 2.633 6.550 1.00 71.15 O ATOM 482 ND2 ASN A 30 5.748 0.643 5.582 1.00 33.21 N ATOM 0 H ASN A 30 6.361 0.793 2.941 1.00 22.22 H new ATOM 0 HA ASN A 30 6.015 3.483 3.650 1.00 32.52 H new ATOM 0 HB2 ASN A 30 7.973 1.313 4.473 1.00 35.41 H new ATOM 0 HB3 ASN A 30 8.066 2.920 5.166 1.00 35.41 H new ATOM 0 HD21 ASN A 30 5.003 0.360 6.219 1.00 33.21 H new ATOM 0 HD22 ASN A 30 6.072 0.001 4.859 1.00 33.21 H new ATOM 489 N LYS A 31 8.722 2.932 1.852 1.00 11.24 N ATOM 490 CA LYS A 31 9.680 3.617 0.970 1.00 4.24 C ATOM 491 C LYS A 31 8.956 4.594 0.033 1.00 1.52 C ATOM 492 O LYS A 31 9.306 5.773 -0.065 1.00 14.24 O ATOM 493 CB LYS A 31 10.467 2.593 0.134 1.00 74.32 C ATOM 494 CG LYS A 31 11.504 1.793 0.917 1.00 32.24 C ATOM 495 CD LYS A 31 12.075 0.646 0.082 1.00 52.20 C ATOM 496 CE LYS A 31 13.200 -0.086 0.806 1.00 73.43 C ATOM 497 NZ LYS A 31 14.415 0.761 0.937 1.00 73.10 N ATOM 0 H LYS A 31 8.740 1.915 1.782 1.00 11.24 H new ATOM 0 HA LYS A 31 10.372 4.178 1.598 1.00 4.24 H new ATOM 0 HB2 LYS A 31 9.762 1.899 -0.323 1.00 74.32 H new ATOM 0 HB3 LYS A 31 10.970 3.117 -0.678 1.00 74.32 H new ATOM 0 HG2 LYS A 31 12.312 2.453 1.231 1.00 32.24 H new ATOM 0 HG3 LYS A 31 11.048 1.393 1.823 1.00 32.24 H new ATOM 0 HD2 LYS A 31 11.279 -0.059 -0.157 1.00 52.20 H new ATOM 0 HD3 LYS A 31 12.448 1.038 -0.864 1.00 52.20 H new ATOM 0 HE2 LYS A 31 12.859 -0.388 1.796 1.00 73.43 H new ATOM 0 HE3 LYS A 31 13.449 -0.998 0.263 1.00 73.43 H new ATOM 0 HZ1 LYS A 31 15.208 0.181 1.278 1.00 73.10 H new ATOM 0 HZ2 LYS A 31 14.657 1.167 0.011 1.00 73.10 H new ATOM 0 HZ3 LYS A 31 14.232 1.529 1.614 1.00 73.10 H new ATOM 511 N ALA A 32 7.925 4.088 -0.640 1.00 20.01 N ATOM 512 CA ALA A 32 7.148 4.879 -1.595 1.00 32.51 C ATOM 513 C ALA A 32 6.358 6.009 -0.909 1.00 11.23 C ATOM 514 O ALA A 32 6.135 7.067 -1.505 1.00 2.53 O ATOM 515 CB ALA A 32 6.212 3.961 -2.369 1.00 31.32 C ATOM 0 H ALA A 32 7.605 3.125 -0.541 1.00 20.01 H new ATOM 0 HA ALA A 32 7.845 5.357 -2.283 1.00 32.51 H new ATOM 0 HB1 ALA A 32 5.632 4.549 -3.081 1.00 31.32 H new ATOM 0 HB2 ALA A 32 6.797 3.214 -2.906 1.00 31.32 H new ATOM 0 HB3 ALA A 32 5.536 3.462 -1.675 1.00 31.32 H new ATOM 521 N ILE A 33 5.929 5.777 0.331 1.00 22.44 N ATOM 522 CA ILE A 33 5.201 6.788 1.108 1.00 62.10 C ATOM 523 C ILE A 33 6.112 7.976 1.463 1.00 73.41 C ATOM 524 O ILE A 33 5.753 9.131 1.238 1.00 54.24 O ATOM 525 CB ILE A 33 4.599 6.180 2.406 1.00 64.04 C ATOM 526 CG1 ILE A 33 3.531 5.128 2.060 1.00 3.33 C ATOM 527 CG2 ILE A 33 4.002 7.273 3.294 1.00 30.34 C ATOM 528 CD1 ILE A 33 2.952 4.412 3.263 1.00 55.55 C ATOM 0 H ILE A 33 6.072 4.895 0.823 1.00 22.44 H new ATOM 0 HA ILE A 33 4.384 7.147 0.482 1.00 62.10 H new ATOM 0 HB ILE A 33 5.403 5.694 2.959 1.00 64.04 H new ATOM 0 HG12 ILE A 33 2.721 5.614 1.516 1.00 3.33 H new ATOM 0 HG13 ILE A 33 3.968 4.390 1.388 1.00 3.33 H new ATOM 0 HG21 ILE A 33 3.587 6.823 4.196 1.00 30.34 H new ATOM 0 HG22 ILE A 33 4.781 7.984 3.569 1.00 30.34 H new ATOM 0 HG23 ILE A 33 3.212 7.792 2.751 1.00 30.34 H new ATOM 0 HD11 ILE A 33 2.207 3.688 2.932 1.00 55.55 H new ATOM 0 HD12 ILE A 33 3.749 3.894 3.797 1.00 55.55 H new ATOM 0 HD13 ILE A 33 2.482 5.138 3.927 1.00 55.55 H new ATOM 540 N VAL A 34 7.302 7.684 1.995 1.00 52.01 N ATOM 541 CA VAL A 34 8.286 8.730 2.296 1.00 31.35 C ATOM 542 C VAL A 34 8.704 9.461 1.010 1.00 64.01 C ATOM 543 O VAL A 34 9.001 10.656 1.014 1.00 15.40 O ATOM 544 CB VAL A 34 9.540 8.138 2.992 1.00 1.50 C ATOM 545 CG1 VAL A 34 10.582 9.224 3.266 1.00 0.14 C ATOM 546 CG2 VAL A 34 9.149 7.427 4.288 1.00 14.41 C ATOM 0 H VAL A 34 7.607 6.738 2.225 1.00 52.01 H new ATOM 0 HA VAL A 34 7.816 9.440 2.977 1.00 31.35 H new ATOM 0 HB VAL A 34 9.986 7.407 2.318 1.00 1.50 H new ATOM 0 HG11 VAL A 34 11.450 8.781 3.754 1.00 0.14 H new ATOM 0 HG12 VAL A 34 10.889 9.680 2.325 1.00 0.14 H new ATOM 0 HG13 VAL A 34 10.151 9.986 3.915 1.00 0.14 H new ATOM 0 HG21 VAL A 34 10.041 7.018 4.762 1.00 14.41 H new ATOM 0 HG22 VAL A 34 8.672 8.138 4.963 1.00 14.41 H new ATOM 0 HG23 VAL A 34 8.454 6.618 4.064 1.00 14.41 H new ATOM 556 N SER A 35 8.714 8.719 -0.096 1.00 35.22 N ATOM 557 CA SER A 35 8.977 9.296 -1.422 1.00 21.31 C ATOM 558 C SER A 35 7.790 10.132 -1.920 1.00 63.04 C ATOM 559 O SER A 35 7.960 11.063 -2.709 1.00 31.00 O ATOM 560 CB SER A 35 9.279 8.189 -2.435 1.00 52.15 C ATOM 561 OG SER A 35 9.487 8.724 -3.733 1.00 71.55 O ATOM 0 H SER A 35 8.543 7.713 -0.104 1.00 35.22 H new ATOM 0 HA SER A 35 9.843 9.951 -1.326 1.00 21.31 H new ATOM 0 HB2 SER A 35 10.164 7.636 -2.120 1.00 52.15 H new ATOM 0 HB3 SER A 35 8.452 7.479 -2.459 1.00 52.15 H new ATOM 0 HG SER A 35 9.679 7.996 -4.360 1.00 71.55 H new ATOM 567 N GLY A 36 6.589 9.791 -1.462 1.00 61.21 N ATOM 568 CA GLY A 36 5.385 10.510 -1.874 1.00 41.15 C ATOM 569 C GLY A 36 4.904 10.142 -3.276 1.00 32.33 C ATOM 570 O GLY A 36 4.314 10.966 -3.976 1.00 53.32 O ATOM 0 H GLY A 36 6.423 9.026 -0.809 1.00 61.21 H new ATOM 0 HA2 GLY A 36 4.587 10.306 -1.160 1.00 41.15 H new ATOM 0 HA3 GLY A 36 5.581 11.582 -1.835 1.00 41.15 H new ATOM 574 N THR A 37 5.151 8.902 -3.695 1.00 1.41 N ATOM 575 CA THR A 37 4.718 8.434 -5.028 1.00 23.43 C ATOM 576 C THR A 37 3.472 7.539 -4.941 1.00 42.33 C ATOM 577 O THR A 37 2.971 7.055 -5.957 1.00 2.43 O ATOM 578 CB THR A 37 5.850 7.667 -5.761 1.00 52.23 C ATOM 579 OG1 THR A 37 5.422 7.254 -7.073 1.00 63.45 O ATOM 580 CG2 THR A 37 6.301 6.446 -4.963 1.00 22.13 C ATOM 0 H THR A 37 5.644 8.201 -3.142 1.00 1.41 H new ATOM 0 HA THR A 37 4.469 9.328 -5.600 1.00 23.43 H new ATOM 0 HB THR A 37 6.694 8.350 -5.858 1.00 52.23 H new ATOM 0 HG1 THR A 37 4.463 7.052 -7.056 1.00 63.45 H new ATOM 0 HG21 THR A 37 7.095 5.931 -5.504 1.00 22.13 H new ATOM 0 HG22 THR A 37 6.673 6.765 -3.989 1.00 22.13 H new ATOM 0 HG23 THR A 37 5.458 5.770 -4.825 1.00 22.13 H new ATOM 588 N VAL A 38 2.969 7.329 -3.727 1.00 0.22 N ATOM 589 CA VAL A 38 1.796 6.471 -3.509 1.00 33.42 C ATOM 590 C VAL A 38 0.486 7.239 -3.733 1.00 75.42 C ATOM 591 O VAL A 38 0.149 8.146 -2.969 1.00 62.21 O ATOM 592 CB VAL A 38 1.771 5.881 -2.078 1.00 55.21 C ATOM 593 CG1 VAL A 38 0.601 4.915 -1.909 1.00 2.32 C ATOM 594 CG2 VAL A 38 3.089 5.192 -1.750 1.00 5.34 C ATOM 0 H VAL A 38 3.352 7.739 -2.875 1.00 0.22 H new ATOM 0 HA VAL A 38 1.878 5.662 -4.234 1.00 33.42 H new ATOM 0 HB VAL A 38 1.636 6.705 -1.378 1.00 55.21 H new ATOM 0 HG11 VAL A 38 0.604 4.513 -0.896 1.00 2.32 H new ATOM 0 HG12 VAL A 38 -0.336 5.443 -2.087 1.00 2.32 H new ATOM 0 HG13 VAL A 38 0.698 4.098 -2.624 1.00 2.32 H new ATOM 0 HG21 VAL A 38 3.046 4.786 -0.739 1.00 5.34 H new ATOM 0 HG22 VAL A 38 3.263 4.383 -2.459 1.00 5.34 H new ATOM 0 HG23 VAL A 38 3.903 5.914 -1.817 1.00 5.34 H new ATOM 604 N GLN A 39 -0.250 6.869 -4.779 1.00 32.42 N ATOM 605 CA GLN A 39 -1.560 7.466 -5.053 1.00 13.34 C ATOM 606 C GLN A 39 -2.697 6.512 -4.658 1.00 24.11 C ATOM 607 O GLN A 39 -2.919 5.493 -5.313 1.00 61.13 O ATOM 608 CB GLN A 39 -1.699 7.834 -6.539 1.00 62.20 C ATOM 609 CG GLN A 39 -0.705 8.886 -7.019 1.00 22.54 C ATOM 610 CD GLN A 39 -0.977 9.347 -8.444 1.00 32.40 C ATOM 611 OE1 GLN A 39 -1.486 8.596 -9.272 1.00 13.23 O ATOM 612 NE2 GLN A 39 -0.639 10.585 -8.741 1.00 61.13 N ATOM 0 H GLN A 39 0.037 6.158 -5.452 1.00 32.42 H new ATOM 0 HA GLN A 39 -1.633 8.373 -4.453 1.00 13.34 H new ATOM 0 HB2 GLN A 39 -1.574 6.932 -7.138 1.00 62.20 H new ATOM 0 HB3 GLN A 39 -2.711 8.198 -6.718 1.00 62.20 H new ATOM 0 HG2 GLN A 39 -0.742 9.746 -6.350 1.00 22.54 H new ATOM 0 HG3 GLN A 39 0.305 8.479 -6.960 1.00 22.54 H new ATOM 0 HE21 GLN A 39 -0.218 11.183 -8.030 1.00 61.13 H new ATOM 0 HE22 GLN A 39 -0.798 10.945 -9.682 1.00 61.13 H new ATOM 621 N ARG A 40 -3.409 6.840 -3.580 1.00 42.25 N ATOM 622 CA ARG A 40 -4.592 6.065 -3.183 1.00 1.55 C ATOM 623 C ARG A 40 -5.710 6.214 -4.231 1.00 43.23 C ATOM 624 O ARG A 40 -5.623 7.067 -5.115 1.00 61.32 O ATOM 625 CB ARG A 40 -5.084 6.504 -1.794 1.00 71.14 C ATOM 626 CG ARG A 40 -5.356 8.005 -1.669 1.00 32.01 C ATOM 627 CD ARG A 40 -5.893 8.365 -0.284 1.00 2.15 C ATOM 628 NE ARG A 40 -7.180 7.727 -0.023 1.00 2.43 N ATOM 629 CZ ARG A 40 -7.677 7.504 1.162 1.00 60.21 C ATOM 630 NH1 ARG A 40 -7.050 7.857 2.235 1.00 62.13 N ATOM 631 NH2 ARG A 40 -8.827 6.931 1.267 1.00 45.23 N ATOM 0 H ARG A 40 -3.193 7.628 -2.969 1.00 42.25 H new ATOM 0 HA ARG A 40 -4.314 5.013 -3.128 1.00 1.55 H new ATOM 0 HB2 ARG A 40 -5.998 5.960 -1.556 1.00 71.14 H new ATOM 0 HB3 ARG A 40 -4.340 6.218 -1.050 1.00 71.14 H new ATOM 0 HG2 ARG A 40 -4.437 8.559 -1.859 1.00 32.01 H new ATOM 0 HG3 ARG A 40 -6.075 8.310 -2.429 1.00 32.01 H new ATOM 0 HD2 ARG A 40 -5.174 8.059 0.476 1.00 2.15 H new ATOM 0 HD3 ARG A 40 -6.000 9.447 -0.205 1.00 2.15 H new ATOM 0 HE ARG A 40 -7.732 7.433 -0.829 1.00 2.43 H new ATOM 0 HH11 ARG A 40 -6.145 8.322 2.167 1.00 62.13 H new ATOM 0 HH12 ARG A 40 -7.460 7.671 3.150 1.00 62.13 H new ATOM 0 HH21 ARG A 40 -9.339 6.657 0.428 1.00 45.23 H new ATOM 0 HH22 ARG A 40 -9.225 6.752 2.189 1.00 45.23 H new ATOM 645 N ALA A 41 -6.759 5.392 -4.127 1.00 45.45 N ATOM 646 CA ALA A 41 -7.856 5.381 -5.116 1.00 33.12 C ATOM 647 C ALA A 41 -8.412 6.788 -5.422 1.00 62.33 C ATOM 648 O ALA A 41 -8.803 7.080 -6.552 1.00 44.42 O ATOM 649 CB ALA A 41 -8.978 4.466 -4.638 1.00 64.21 C ATOM 0 H ALA A 41 -6.877 4.721 -3.368 1.00 45.45 H new ATOM 0 HA ALA A 41 -7.436 5.002 -6.048 1.00 33.12 H new ATOM 0 HB1 ALA A 41 -9.783 4.463 -5.373 1.00 64.21 H new ATOM 0 HB2 ALA A 41 -8.594 3.453 -4.516 1.00 64.21 H new ATOM 0 HB3 ALA A 41 -9.360 4.827 -3.683 1.00 64.21 H new ATOM 655 N ASP A 42 -8.433 7.658 -4.415 1.00 72.23 N ATOM 656 CA ASP A 42 -8.941 9.030 -4.574 1.00 54.15 C ATOM 657 C ASP A 42 -8.041 9.898 -5.482 1.00 3.35 C ATOM 658 O ASP A 42 -8.375 11.046 -5.785 1.00 22.51 O ATOM 659 CB ASP A 42 -9.068 9.688 -3.199 1.00 63.02 C ATOM 660 CG ASP A 42 -9.870 8.837 -2.237 1.00 53.11 C ATOM 661 OD1 ASP A 42 -9.316 7.849 -1.723 1.00 64.32 O ATOM 662 OD2 ASP A 42 -11.053 9.149 -1.993 1.00 15.20 O ATOM 0 H ASP A 42 -8.104 7.442 -3.474 1.00 72.23 H new ATOM 0 HA ASP A 42 -9.915 8.961 -5.058 1.00 54.15 H new ATOM 0 HB2 ASP A 42 -8.074 9.863 -2.787 1.00 63.02 H new ATOM 0 HB3 ASP A 42 -9.545 10.662 -3.306 1.00 63.02 H new ATOM 667 N GLY A 43 -6.908 9.347 -5.911 1.00 32.33 N ATOM 668 CA GLY A 43 -5.950 10.102 -6.717 1.00 53.41 C ATOM 669 C GLY A 43 -5.069 11.030 -5.880 1.00 50.23 C ATOM 670 O GLY A 43 -4.466 11.966 -6.403 1.00 11.54 O ATOM 0 H GLY A 43 -6.631 8.385 -5.716 1.00 32.33 H new ATOM 0 HA2 GLY A 43 -5.316 9.406 -7.266 1.00 53.41 H new ATOM 0 HA3 GLY A 43 -6.491 10.692 -7.457 1.00 53.41 H new ATOM 674 N SER A 44 -4.993 10.763 -4.577 1.00 10.42 N ATOM 675 CA SER A 44 -4.214 11.601 -3.649 1.00 4.34 C ATOM 676 C SER A 44 -2.972 10.865 -3.127 1.00 4.33 C ATOM 677 O SER A 44 -2.886 9.639 -3.213 1.00 34.41 O ATOM 678 CB SER A 44 -5.086 12.041 -2.471 1.00 72.21 C ATOM 679 OG SER A 44 -4.354 12.841 -1.558 1.00 15.51 O ATOM 0 H SER A 44 -5.460 9.972 -4.133 1.00 10.42 H new ATOM 0 HA SER A 44 -3.880 12.479 -4.203 1.00 4.34 H new ATOM 0 HB2 SER A 44 -5.945 12.601 -2.841 1.00 72.21 H new ATOM 0 HB3 SER A 44 -5.476 11.163 -1.957 1.00 72.21 H new ATOM 0 HG SER A 44 -4.937 13.109 -0.817 1.00 15.51 H new ATOM 685 N ILE A 45 -2.031 11.619 -2.560 1.00 21.25 N ATOM 686 CA ILE A 45 -0.742 11.068 -2.116 1.00 63.21 C ATOM 687 C ILE A 45 -0.748 10.723 -0.618 1.00 50.21 C ATOM 688 O ILE A 45 -1.248 11.489 0.205 1.00 14.21 O ATOM 689 CB ILE A 45 0.409 12.071 -2.395 1.00 4.41 C ATOM 690 CG1 ILE A 45 0.511 12.364 -3.901 1.00 40.44 C ATOM 691 CG2 ILE A 45 1.740 11.541 -1.855 1.00 32.25 C ATOM 692 CD1 ILE A 45 0.836 11.147 -4.745 1.00 31.01 C ATOM 0 H ILE A 45 -2.134 12.620 -2.395 1.00 21.25 H new ATOM 0 HA ILE A 45 -0.582 10.151 -2.683 1.00 63.21 H new ATOM 0 HB ILE A 45 0.184 13.003 -1.876 1.00 4.41 H new ATOM 0 HG12 ILE A 45 -0.433 12.789 -4.243 1.00 40.44 H new ATOM 0 HG13 ILE A 45 1.279 13.121 -4.062 1.00 40.44 H new ATOM 0 HG21 ILE A 45 2.530 12.262 -2.063 1.00 32.25 H new ATOM 0 HG22 ILE A 45 1.661 11.390 -0.778 1.00 32.25 H new ATOM 0 HG23 ILE A 45 1.977 10.593 -2.338 1.00 32.25 H new ATOM 0 HD11 ILE A 45 0.891 11.436 -5.795 1.00 31.01 H new ATOM 0 HD12 ILE A 45 1.795 10.733 -4.432 1.00 31.01 H new ATOM 0 HD13 ILE A 45 0.057 10.396 -4.616 1.00 31.01 H new ATOM 704 N GLN A 46 -0.189 9.563 -0.272 1.00 72.53 N ATOM 705 CA GLN A 46 -0.065 9.156 1.133 1.00 74.45 C ATOM 706 C GLN A 46 1.277 9.592 1.739 1.00 40.35 C ATOM 707 O GLN A 46 2.343 9.243 1.233 1.00 2.54 O ATOM 708 CB GLN A 46 -0.215 7.636 1.279 1.00 70.25 C ATOM 709 CG GLN A 46 -1.603 7.113 0.939 1.00 5.24 C ATOM 710 CD GLN A 46 -1.742 5.621 1.196 1.00 2.45 C ATOM 711 OE1 GLN A 46 -1.477 4.809 0.328 1.00 54.02 O ATOM 712 NE2 GLN A 46 -2.153 5.250 2.393 1.00 15.23 N ATOM 0 H GLN A 46 0.185 8.889 -0.940 1.00 72.53 H new ATOM 0 HA GLN A 46 -0.868 9.655 1.676 1.00 74.45 H new ATOM 0 HB2 GLN A 46 0.514 7.146 0.634 1.00 70.25 H new ATOM 0 HB3 GLN A 46 0.027 7.355 2.304 1.00 70.25 H new ATOM 0 HG2 GLN A 46 -2.345 7.651 1.529 1.00 5.24 H new ATOM 0 HG3 GLN A 46 -1.819 7.320 -0.109 1.00 5.24 H new ATOM 0 HE21 GLN A 46 -2.367 5.954 3.099 1.00 15.23 H new ATOM 0 HE22 GLN A 46 -2.256 4.259 2.612 1.00 15.23 H new ATOM 721 N ASN A 47 1.209 10.358 2.826 1.00 72.43 N ATOM 722 CA ASN A 47 2.401 10.748 3.590 1.00 61.21 C ATOM 723 C ASN A 47 2.430 10.031 4.951 1.00 10.34 C ATOM 724 O ASN A 47 3.380 10.164 5.724 1.00 60.34 O ATOM 725 CB ASN A 47 2.426 12.268 3.797 1.00 24.03 C ATOM 726 CG ASN A 47 2.453 13.030 2.484 1.00 70.21 C ATOM 727 OD1 ASN A 47 1.416 13.361 1.922 1.00 21.42 O ATOM 728 ND2 ASN A 47 3.638 13.313 1.984 1.00 22.22 N ATOM 0 H ASN A 47 0.335 10.725 3.203 1.00 72.43 H new ATOM 0 HA ASN A 47 3.284 10.453 3.022 1.00 61.21 H new ATOM 0 HB2 ASN A 47 1.549 12.568 4.370 1.00 24.03 H new ATOM 0 HB3 ASN A 47 3.301 12.537 4.388 1.00 24.03 H new ATOM 0 HD21 ASN A 47 3.712 13.822 1.103 1.00 22.22 H new ATOM 0 HD22 ASN A 47 4.482 13.023 2.477 1.00 22.22 H new ATOM 735 N GLN A 48 1.377 9.266 5.233 1.00 1.14 N ATOM 736 CA GLN A 48 1.258 8.524 6.492 1.00 3.50 C ATOM 737 C GLN A 48 1.853 7.110 6.359 1.00 22.11 C ATOM 738 O GLN A 48 1.254 6.229 5.734 1.00 33.42 O ATOM 739 CB GLN A 48 -0.222 8.442 6.900 1.00 72.14 C ATOM 740 CG GLN A 48 -0.897 9.808 7.019 1.00 42.12 C ATOM 741 CD GLN A 48 -2.390 9.714 7.289 1.00 71.35 C ATOM 742 OE1 GLN A 48 -2.864 8.772 7.916 1.00 65.53 O ATOM 743 NE2 GLN A 48 -3.142 10.689 6.823 1.00 72.14 N ATOM 0 H GLN A 48 0.586 9.142 4.601 1.00 1.14 H new ATOM 0 HA GLN A 48 1.819 9.052 7.263 1.00 3.50 H new ATOM 0 HB2 GLN A 48 -0.760 7.842 6.166 1.00 72.14 H new ATOM 0 HB3 GLN A 48 -0.299 7.923 7.855 1.00 72.14 H new ATOM 0 HG2 GLN A 48 -0.423 10.372 7.823 1.00 42.12 H new ATOM 0 HG3 GLN A 48 -0.735 10.368 6.098 1.00 42.12 H new ATOM 0 HE21 GLN A 48 -2.717 11.458 6.305 1.00 72.14 H new ATOM 0 HE22 GLN A 48 -4.150 10.675 6.980 1.00 72.14 H new ATOM 752 N SER A 49 3.040 6.902 6.929 1.00 51.53 N ATOM 753 CA SER A 49 3.725 5.601 6.857 1.00 5.42 C ATOM 754 C SER A 49 3.041 4.546 7.738 1.00 33.42 C ATOM 755 O SER A 49 3.308 4.451 8.940 1.00 33.04 O ATOM 756 CB SER A 49 5.204 5.736 7.262 1.00 31.21 C ATOM 757 OG SER A 49 5.922 6.557 6.350 1.00 21.44 O ATOM 0 H SER A 49 3.552 7.616 7.448 1.00 51.53 H new ATOM 0 HA SER A 49 3.667 5.268 5.821 1.00 5.42 H new ATOM 0 HB2 SER A 49 5.271 6.160 8.264 1.00 31.21 H new ATOM 0 HB3 SER A 49 5.663 4.748 7.302 1.00 31.21 H new ATOM 0 HG SER A 49 6.857 6.624 6.636 1.00 21.44 H new ATOM 763 N LEU A 50 2.149 3.760 7.132 1.00 33.22 N ATOM 764 CA LEU A 50 1.419 2.710 7.858 1.00 31.11 C ATOM 765 C LEU A 50 2.353 1.590 8.357 1.00 10.45 C ATOM 766 O LEU A 50 3.299 1.188 7.672 1.00 11.54 O ATOM 767 CB LEU A 50 0.272 2.142 6.989 1.00 32.13 C ATOM 768 CG LEU A 50 0.601 1.847 5.506 1.00 62.21 C ATOM 769 CD1 LEU A 50 1.494 0.614 5.351 1.00 61.10 C ATOM 770 CD2 LEU A 50 -0.684 1.683 4.696 1.00 3.51 C ATOM 0 H LEU A 50 1.913 3.828 6.142 1.00 33.22 H new ATOM 0 HA LEU A 50 0.982 3.170 8.744 1.00 31.11 H new ATOM 0 HB2 LEU A 50 -0.078 1.218 7.450 1.00 32.13 H new ATOM 0 HB3 LEU A 50 -0.558 2.847 7.019 1.00 32.13 H new ATOM 0 HG LEU A 50 1.157 2.701 5.119 1.00 62.21 H new ATOM 0 HD11 LEU A 50 1.700 0.444 4.294 1.00 61.10 H new ATOM 0 HD12 LEU A 50 2.432 0.775 5.882 1.00 61.10 H new ATOM 0 HD13 LEU A 50 0.987 -0.257 5.767 1.00 61.10 H new ATOM 0 HD21 LEU A 50 -0.434 1.476 3.655 1.00 3.51 H new ATOM 0 HD22 LEU A 50 -1.266 0.855 5.101 1.00 3.51 H new ATOM 0 HD23 LEU A 50 -1.270 2.601 4.753 1.00 3.51 H new ATOM 782 N HIS A 51 2.089 1.098 9.566 1.00 51.22 N ATOM 783 CA HIS A 51 2.910 0.048 10.177 1.00 12.44 C ATOM 784 C HIS A 51 2.525 -1.350 9.666 1.00 74.33 C ATOM 785 O HIS A 51 3.315 -2.290 9.750 1.00 65.14 O ATOM 786 CB HIS A 51 2.775 0.097 11.705 1.00 50.21 C ATOM 787 CG HIS A 51 3.696 -0.843 12.425 1.00 12.54 C ATOM 788 ND1 HIS A 51 3.330 -2.116 12.805 1.00 43.33 N ATOM 789 CD2 HIS A 51 4.977 -0.688 12.831 1.00 65.34 C ATOM 790 CE1 HIS A 51 4.342 -2.699 13.414 1.00 3.11 C ATOM 791 NE2 HIS A 51 5.353 -1.857 13.445 1.00 22.32 N ATOM 0 H HIS A 51 1.310 1.410 10.146 1.00 51.22 H new ATOM 0 HA HIS A 51 3.946 0.234 9.893 1.00 12.44 H new ATOM 0 HB2 HIS A 51 2.970 1.114 12.045 1.00 50.21 H new ATOM 0 HB3 HIS A 51 1.746 -0.138 11.977 1.00 50.21 H new ATOM 0 HD2 HIS A 51 5.590 0.191 12.697 1.00 65.34 H new ATOM 0 HE1 HIS A 51 4.342 -3.700 13.820 1.00 3.11 H new ATOM 0 HE2 HIS A 51 6.267 -2.043 13.858 1.00 22.32 H new ATOM 800 N GLU A 52 1.311 -1.487 9.145 1.00 73.04 N ATOM 801 CA GLU A 52 0.818 -2.784 8.667 1.00 51.21 C ATOM 802 C GLU A 52 -0.183 -2.595 7.512 1.00 44.33 C ATOM 803 O GLU A 52 -0.827 -1.549 7.402 1.00 22.22 O ATOM 804 CB GLU A 52 0.174 -3.553 9.836 1.00 53.44 C ATOM 805 CG GLU A 52 -0.211 -4.993 9.511 1.00 14.42 C ATOM 806 CD GLU A 52 -0.748 -5.750 10.720 1.00 34.12 C ATOM 807 OE1 GLU A 52 -1.827 -5.383 11.235 1.00 73.13 O ATOM 808 OE2 GLU A 52 -0.097 -6.722 11.159 1.00 63.02 O ATOM 0 H GLU A 52 0.647 -0.720 9.041 1.00 73.04 H new ATOM 0 HA GLU A 52 1.657 -3.365 8.284 1.00 51.21 H new ATOM 0 HB2 GLU A 52 0.867 -3.557 10.677 1.00 53.44 H new ATOM 0 HB3 GLU A 52 -0.718 -3.016 10.160 1.00 53.44 H new ATOM 0 HG2 GLU A 52 -0.965 -4.993 8.724 1.00 14.42 H new ATOM 0 HG3 GLU A 52 0.660 -5.517 9.118 1.00 14.42 H new ATOM 815 N ALA A 53 -0.300 -3.603 6.646 1.00 35.13 N ATOM 816 CA ALA A 53 -1.173 -3.519 5.469 1.00 22.14 C ATOM 817 C ALA A 53 -1.585 -4.910 4.961 1.00 3.41 C ATOM 818 O ALA A 53 -1.136 -5.935 5.480 1.00 62.51 O ATOM 819 CB ALA A 53 -0.481 -2.729 4.360 1.00 65.13 C ATOM 0 H ALA A 53 0.198 -4.488 6.736 1.00 35.13 H new ATOM 0 HA ALA A 53 -2.084 -2.999 5.766 1.00 22.14 H new ATOM 0 HB1 ALA A 53 -1.136 -2.672 3.491 1.00 65.13 H new ATOM 0 HB2 ALA A 53 -0.260 -1.722 4.714 1.00 65.13 H new ATOM 0 HB3 ALA A 53 0.447 -3.228 4.082 1.00 65.13 H new ATOM 825 N LEU A 54 -2.445 -4.933 3.947 1.00 75.43 N ATOM 826 CA LEU A 54 -2.945 -6.182 3.350 1.00 50.40 C ATOM 827 C LEU A 54 -2.504 -6.307 1.885 1.00 63.45 C ATOM 828 O LEU A 54 -2.476 -5.323 1.152 1.00 4.02 O ATOM 829 CB LEU A 54 -4.475 -6.210 3.422 1.00 55.02 C ATOM 830 CG LEU A 54 -5.069 -6.142 4.835 1.00 71.02 C ATOM 831 CD1 LEU A 54 -6.563 -5.837 4.776 1.00 1.45 C ATOM 832 CD2 LEU A 54 -4.813 -7.444 5.591 1.00 64.21 C ATOM 0 H LEU A 54 -2.819 -4.090 3.511 1.00 75.43 H new ATOM 0 HA LEU A 54 -2.529 -7.019 3.911 1.00 50.40 H new ATOM 0 HB2 LEU A 54 -4.864 -5.373 2.842 1.00 55.02 H new ATOM 0 HB3 LEU A 54 -4.828 -7.123 2.942 1.00 55.02 H new ATOM 0 HG LEU A 54 -4.576 -5.333 5.374 1.00 71.02 H new ATOM 0 HD11 LEU A 54 -6.966 -5.793 5.788 1.00 1.45 H new ATOM 0 HD12 LEU A 54 -6.719 -4.878 4.281 1.00 1.45 H new ATOM 0 HD13 LEU A 54 -7.073 -6.621 4.217 1.00 1.45 H new ATOM 0 HD21 LEU A 54 -5.242 -7.375 6.591 1.00 64.21 H new ATOM 0 HD22 LEU A 54 -5.275 -8.273 5.055 1.00 64.21 H new ATOM 0 HD23 LEU A 54 -3.739 -7.615 5.668 1.00 64.21 H new ATOM 844 N ILE A 55 -2.181 -7.524 1.459 1.00 35.50 N ATOM 845 CA ILE A 55 -1.754 -7.771 0.078 1.00 11.33 C ATOM 846 C ILE A 55 -2.630 -8.828 -0.609 1.00 0.21 C ATOM 847 O ILE A 55 -2.935 -9.879 -0.039 1.00 24.22 O ATOM 848 CB ILE A 55 -0.266 -8.222 0.023 1.00 15.23 C ATOM 849 CG1 ILE A 55 0.211 -8.385 -1.434 1.00 74.31 C ATOM 850 CG2 ILE A 55 -0.061 -9.523 0.799 1.00 51.42 C ATOM 851 CD1 ILE A 55 0.165 -7.107 -2.249 1.00 21.24 C ATOM 0 H ILE A 55 -2.205 -8.357 2.047 1.00 35.50 H new ATOM 0 HA ILE A 55 -1.864 -6.827 -0.457 1.00 11.33 H new ATOM 0 HB ILE A 55 0.334 -7.442 0.493 1.00 15.23 H new ATOM 0 HG12 ILE A 55 1.233 -8.764 -1.430 1.00 74.31 H new ATOM 0 HG13 ILE A 55 -0.406 -9.138 -1.924 1.00 74.31 H new ATOM 0 HG21 ILE A 55 0.987 -9.817 0.745 1.00 51.42 H new ATOM 0 HG22 ILE A 55 -0.343 -9.373 1.841 1.00 51.42 H new ATOM 0 HG23 ILE A 55 -0.681 -10.307 0.364 1.00 51.42 H new ATOM 0 HD11 ILE A 55 0.516 -7.308 -3.261 1.00 21.24 H new ATOM 0 HD12 ILE A 55 -0.859 -6.737 -2.287 1.00 21.24 H new ATOM 0 HD13 ILE A 55 0.805 -6.356 -1.785 1.00 21.24 H new ATOM 863 N THR A 56 -3.063 -8.525 -1.828 1.00 64.31 N ATOM 864 CA THR A 56 -3.711 -9.526 -2.682 1.00 44.40 C ATOM 865 C THR A 56 -2.696 -10.592 -3.116 1.00 73.44 C ATOM 866 O THR A 56 -1.557 -10.270 -3.435 1.00 61.53 O ATOM 867 CB THR A 56 -4.324 -8.879 -3.948 1.00 2.03 C ATOM 868 OG1 THR A 56 -3.313 -8.139 -4.663 1.00 5.31 O ATOM 869 CG2 THR A 56 -5.482 -7.953 -3.588 1.00 41.14 C ATOM 0 H THR A 56 -2.980 -7.600 -2.250 1.00 64.31 H new ATOM 0 HA THR A 56 -4.509 -9.984 -2.097 1.00 44.40 H new ATOM 0 HB THR A 56 -4.708 -9.678 -4.583 1.00 2.03 H new ATOM 0 HG1 THR A 56 -2.432 -8.336 -4.281 1.00 5.31 H new ATOM 0 HG21 THR A 56 -5.892 -7.513 -4.497 1.00 41.14 H new ATOM 0 HG22 THR A 56 -6.259 -8.523 -3.078 1.00 41.14 H new ATOM 0 HG23 THR A 56 -5.123 -7.160 -2.931 1.00 41.14 H new ATOM 877 N ARG A 57 -3.112 -11.855 -3.137 1.00 10.23 N ATOM 878 CA ARG A 57 -2.212 -12.965 -3.487 1.00 41.23 C ATOM 879 C ARG A 57 -1.654 -12.825 -4.915 1.00 43.24 C ATOM 880 O ARG A 57 -0.513 -13.205 -5.190 1.00 75.13 O ATOM 881 CB ARG A 57 -2.946 -14.298 -3.330 1.00 14.31 C ATOM 882 CG ARG A 57 -2.060 -15.531 -3.503 1.00 33.52 C ATOM 883 CD ARG A 57 -2.796 -16.805 -3.101 1.00 71.21 C ATOM 884 NE ARG A 57 -3.312 -16.724 -1.736 1.00 20.22 N ATOM 885 CZ ARG A 57 -3.952 -17.683 -1.130 1.00 13.44 C ATOM 886 NH1 ARG A 57 -4.121 -18.827 -1.704 1.00 34.13 N ATOM 887 NH2 ARG A 57 -4.428 -17.490 0.057 1.00 53.40 N ATOM 0 H ARG A 57 -4.066 -12.142 -2.917 1.00 10.23 H new ATOM 0 HA ARG A 57 -1.363 -12.935 -2.804 1.00 41.23 H new ATOM 0 HB2 ARG A 57 -3.406 -14.332 -2.342 1.00 14.31 H new ATOM 0 HB3 ARG A 57 -3.755 -14.342 -4.059 1.00 14.31 H new ATOM 0 HG2 ARG A 57 -1.738 -15.607 -4.542 1.00 33.52 H new ATOM 0 HG3 ARG A 57 -1.160 -15.422 -2.898 1.00 33.52 H new ATOM 0 HD2 ARG A 57 -3.620 -16.982 -3.792 1.00 71.21 H new ATOM 0 HD3 ARG A 57 -2.121 -17.657 -3.185 1.00 71.21 H new ATOM 0 HE ARG A 57 -3.160 -15.856 -1.222 1.00 20.22 H new ATOM 0 HH11 ARG A 57 -3.752 -18.987 -2.641 1.00 34.13 H new ATOM 0 HH12 ARG A 57 -4.624 -19.571 -1.220 1.00 34.13 H new ATOM 0 HH21 ARG A 57 -4.302 -16.588 0.517 1.00 53.40 H new ATOM 0 HH22 ARG A 57 -4.930 -18.240 0.533 1.00 53.40 H new ATOM 901 N ASP A 58 -2.467 -12.279 -5.820 1.00 50.40 N ATOM 902 CA ASP A 58 -2.031 -11.992 -7.193 1.00 30.15 C ATOM 903 C ASP A 58 -1.084 -10.769 -7.216 1.00 3.04 C ATOM 904 O ASP A 58 -0.454 -10.465 -8.230 1.00 22.40 O ATOM 905 CB ASP A 58 -3.262 -11.749 -8.078 1.00 73.13 C ATOM 906 CG ASP A 58 -2.930 -11.771 -9.560 1.00 13.24 C ATOM 907 OD1 ASP A 58 -2.673 -12.870 -10.093 1.00 31.14 O ATOM 908 OD2 ASP A 58 -2.923 -10.696 -10.190 1.00 32.45 O ATOM 0 H ASP A 58 -3.436 -12.025 -5.629 1.00 50.40 H new ATOM 0 HA ASP A 58 -1.479 -12.847 -7.583 1.00 30.15 H new ATOM 0 HB2 ASP A 58 -4.013 -12.510 -7.866 1.00 73.13 H new ATOM 0 HB3 ASP A 58 -3.704 -10.786 -7.823 1.00 73.13 H new ATOM 913 N ARG A 59 -1.001 -10.095 -6.066 1.00 5.01 N ATOM 914 CA ARG A 59 -0.108 -8.948 -5.845 1.00 35.32 C ATOM 915 C ARG A 59 -0.333 -7.804 -6.850 1.00 64.34 C ATOM 916 O ARG A 59 0.522 -7.495 -7.680 1.00 4.52 O ATOM 917 CB ARG A 59 1.363 -9.406 -5.803 1.00 2.13 C ATOM 918 CG ARG A 59 1.608 -10.462 -4.725 1.00 22.13 C ATOM 919 CD ARG A 59 3.083 -10.804 -4.541 1.00 54.44 C ATOM 920 NE ARG A 59 3.254 -11.840 -3.521 1.00 15.32 N ATOM 921 CZ ARG A 59 4.131 -11.811 -2.555 1.00 72.21 C ATOM 922 NH1 ARG A 59 5.002 -10.854 -2.466 1.00 32.04 N ATOM 923 NH2 ARG A 59 4.142 -12.762 -1.679 1.00 73.51 N ATOM 0 H ARG A 59 -1.561 -10.333 -5.247 1.00 5.01 H new ATOM 0 HA ARG A 59 -0.360 -8.529 -4.871 1.00 35.32 H new ATOM 0 HB2 ARG A 59 1.644 -9.810 -6.776 1.00 2.13 H new ATOM 0 HB3 ARG A 59 2.005 -8.545 -5.618 1.00 2.13 H new ATOM 0 HG2 ARG A 59 1.204 -10.105 -3.778 1.00 22.13 H new ATOM 0 HG3 ARG A 59 1.061 -11.369 -4.983 1.00 22.13 H new ATOM 0 HD2 ARG A 59 3.502 -11.146 -5.487 1.00 54.44 H new ATOM 0 HD3 ARG A 59 3.635 -9.909 -4.253 1.00 54.44 H new ATOM 0 HE ARG A 59 2.637 -12.651 -3.569 1.00 15.32 H new ATOM 0 HH11 ARG A 59 5.010 -10.106 -3.159 1.00 32.04 H new ATOM 0 HH12 ARG A 59 5.679 -10.850 -1.703 1.00 32.04 H new ATOM 0 HH21 ARG A 59 3.469 -13.526 -1.747 1.00 73.51 H new ATOM 0 HH22 ARG A 59 4.823 -12.749 -0.920 1.00 73.51 H new ATOM 937 N LYS A 60 -1.512 -7.179 -6.756 1.00 61.24 N ATOM 938 CA LYS A 60 -1.836 -5.995 -7.564 1.00 23.05 C ATOM 939 C LYS A 60 -2.514 -4.893 -6.724 1.00 63.52 C ATOM 940 O LYS A 60 -2.481 -3.715 -7.087 1.00 45.32 O ATOM 941 CB LYS A 60 -2.722 -6.386 -8.758 1.00 42.53 C ATOM 942 CG LYS A 60 -4.073 -6.997 -8.381 1.00 43.24 C ATOM 943 CD LYS A 60 -4.783 -7.573 -9.608 1.00 44.00 C ATOM 944 CE LYS A 60 -6.131 -8.201 -9.265 1.00 74.42 C ATOM 945 NZ LYS A 60 -7.168 -7.180 -8.942 1.00 11.23 N ATOM 0 H LYS A 60 -2.260 -7.473 -6.128 1.00 61.24 H new ATOM 0 HA LYS A 60 -0.897 -5.587 -7.939 1.00 23.05 H new ATOM 0 HB2 LYS A 60 -2.897 -5.500 -9.368 1.00 42.53 H new ATOM 0 HB3 LYS A 60 -2.178 -7.098 -9.379 1.00 42.53 H new ATOM 0 HG2 LYS A 60 -3.925 -7.783 -7.641 1.00 43.24 H new ATOM 0 HG3 LYS A 60 -4.702 -6.237 -7.917 1.00 43.24 H new ATOM 0 HD2 LYS A 60 -4.932 -6.781 -10.342 1.00 44.00 H new ATOM 0 HD3 LYS A 60 -4.144 -8.324 -10.074 1.00 44.00 H new ATOM 0 HE2 LYS A 60 -6.471 -8.807 -10.105 1.00 74.42 H new ATOM 0 HE3 LYS A 60 -6.010 -8.873 -8.416 1.00 74.42 H new ATOM 0 HZ1 LYS A 60 -8.097 -7.641 -8.866 1.00 11.23 H new ATOM 0 HZ2 LYS A 60 -6.934 -6.721 -8.038 1.00 11.23 H new ATOM 0 HZ3 LYS A 60 -7.197 -6.464 -9.696 1.00 11.23 H new ATOM 959 N GLN A 61 -3.127 -5.278 -5.603 1.00 5.24 N ATOM 960 CA GLN A 61 -3.779 -4.317 -4.697 1.00 32.22 C ATOM 961 C GLN A 61 -3.264 -4.465 -3.255 1.00 13.03 C ATOM 962 O GLN A 61 -3.025 -5.579 -2.779 1.00 24.21 O ATOM 963 CB GLN A 61 -5.303 -4.508 -4.721 1.00 64.10 C ATOM 964 CG GLN A 61 -5.949 -4.204 -6.067 1.00 61.43 C ATOM 965 CD GLN A 61 -6.006 -2.714 -6.369 1.00 21.34 C ATOM 966 OE1 GLN A 61 -6.975 -2.044 -6.045 1.00 61.43 O ATOM 967 NE2 GLN A 61 -4.964 -2.184 -6.978 1.00 34.32 N ATOM 0 H GLN A 61 -3.188 -6.249 -5.296 1.00 5.24 H new ATOM 0 HA GLN A 61 -3.533 -3.315 -5.049 1.00 32.22 H new ATOM 0 HB2 GLN A 61 -5.533 -5.537 -4.444 1.00 64.10 H new ATOM 0 HB3 GLN A 61 -5.750 -3.866 -3.962 1.00 64.10 H new ATOM 0 HG2 GLN A 61 -5.391 -4.709 -6.855 1.00 61.43 H new ATOM 0 HG3 GLN A 61 -6.960 -4.612 -6.081 1.00 61.43 H new ATOM 0 HE21 GLN A 61 -4.171 -2.771 -7.235 1.00 34.32 H new ATOM 0 HE22 GLN A 61 -4.951 -1.187 -7.192 1.00 34.32 H new ATOM 976 N VAL A 62 -3.086 -3.329 -2.582 1.00 1.55 N ATOM 977 CA VAL A 62 -2.670 -3.293 -1.174 1.00 4.03 C ATOM 978 C VAL A 62 -3.664 -2.470 -0.336 1.00 53.30 C ATOM 979 O VAL A 62 -3.902 -1.299 -0.622 1.00 4.54 O ATOM 980 CB VAL A 62 -1.253 -2.674 -1.021 1.00 5.14 C ATOM 981 CG1 VAL A 62 -0.833 -2.622 0.448 1.00 3.31 C ATOM 982 CG2 VAL A 62 -0.222 -3.444 -1.849 1.00 42.44 C ATOM 0 H VAL A 62 -3.225 -2.406 -2.994 1.00 1.55 H new ATOM 0 HA VAL A 62 -2.650 -4.322 -0.816 1.00 4.03 H new ATOM 0 HB VAL A 62 -1.296 -1.653 -1.399 1.00 5.14 H new ATOM 0 HG11 VAL A 62 0.162 -2.185 0.527 1.00 3.31 H new ATOM 0 HG12 VAL A 62 -1.542 -2.013 1.008 1.00 3.31 H new ATOM 0 HG13 VAL A 62 -0.819 -3.632 0.858 1.00 3.31 H new ATOM 0 HG21 VAL A 62 0.760 -2.988 -1.722 1.00 42.44 H new ATOM 0 HG22 VAL A 62 -0.187 -4.481 -1.514 1.00 42.44 H new ATOM 0 HG23 VAL A 62 -0.504 -3.412 -2.902 1.00 42.44 H new ATOM 992 N PHE A 63 -4.242 -3.076 0.697 1.00 42.25 N ATOM 993 CA PHE A 63 -5.208 -2.377 1.556 1.00 71.33 C ATOM 994 C PHE A 63 -4.551 -1.885 2.854 1.00 4.11 C ATOM 995 O PHE A 63 -3.566 -2.454 3.326 1.00 42.33 O ATOM 996 CB PHE A 63 -6.407 -3.283 1.872 1.00 53.13 C ATOM 997 CG PHE A 63 -7.217 -3.655 0.656 1.00 51.20 C ATOM 998 CD1 PHE A 63 -6.877 -4.758 -0.115 1.00 43.12 C ATOM 999 CD2 PHE A 63 -8.323 -2.898 0.284 1.00 44.31 C ATOM 1000 CE1 PHE A 63 -7.619 -5.099 -1.230 1.00 45.12 C ATOM 1001 CE2 PHE A 63 -9.068 -3.236 -0.830 1.00 43.11 C ATOM 1002 CZ PHE A 63 -8.716 -4.336 -1.588 1.00 41.44 C ATOM 0 H PHE A 63 -4.063 -4.044 0.963 1.00 42.25 H new ATOM 0 HA PHE A 63 -5.565 -1.504 1.010 1.00 71.33 H new ATOM 0 HB2 PHE A 63 -6.048 -4.193 2.352 1.00 53.13 H new ATOM 0 HB3 PHE A 63 -7.054 -2.779 2.589 1.00 53.13 H new ATOM 0 HD1 PHE A 63 -6.022 -5.357 0.160 1.00 43.12 H new ATOM 0 HD2 PHE A 63 -8.603 -2.037 0.872 1.00 44.31 H new ATOM 0 HE1 PHE A 63 -7.343 -5.960 -1.821 1.00 45.12 H new ATOM 0 HE2 PHE A 63 -9.925 -2.640 -1.108 1.00 43.11 H new ATOM 0 HZ PHE A 63 -9.297 -4.600 -2.459 1.00 41.44 H new ATOM 1012 N ARG A 64 -5.108 -0.822 3.424 1.00 11.24 N ATOM 1013 CA ARG A 64 -4.545 -0.182 4.620 1.00 42.15 C ATOM 1014 C ARG A 64 -4.949 -0.913 5.915 1.00 63.23 C ATOM 1015 O ARG A 64 -5.977 -1.587 5.973 1.00 11.13 O ATOM 1016 CB ARG A 64 -5.019 1.280 4.674 1.00 32.21 C ATOM 1017 CG ARG A 64 -4.460 2.091 5.842 1.00 0.31 C ATOM 1018 CD ARG A 64 -5.049 3.496 5.865 1.00 62.24 C ATOM 1019 NE ARG A 64 -4.447 4.343 6.889 1.00 11.41 N ATOM 1020 CZ ARG A 64 -4.594 5.640 6.935 1.00 41.21 C ATOM 1021 NH1 ARG A 64 -5.328 6.255 6.055 1.00 73.44 N ATOM 1022 NH2 ARG A 64 -4.016 6.316 7.871 1.00 0.32 N ATOM 0 H ARG A 64 -5.958 -0.377 3.077 1.00 11.24 H new ATOM 0 HA ARG A 64 -3.458 -0.228 4.550 1.00 42.15 H new ATOM 0 HB2 ARG A 64 -4.741 1.772 3.742 1.00 32.21 H new ATOM 0 HB3 ARG A 64 -6.108 1.293 4.729 1.00 32.21 H new ATOM 0 HG2 ARG A 64 -4.683 1.584 6.781 1.00 0.31 H new ATOM 0 HG3 ARG A 64 -3.375 2.149 5.762 1.00 0.31 H new ATOM 0 HD2 ARG A 64 -4.910 3.960 4.888 1.00 62.24 H new ATOM 0 HD3 ARG A 64 -6.123 3.432 6.038 1.00 62.24 H new ATOM 0 HE ARG A 64 -3.879 3.897 7.610 1.00 11.41 H new ATOM 0 HH11 ARG A 64 -5.795 5.724 5.320 1.00 73.44 H new ATOM 0 HH12 ARG A 64 -5.436 7.268 6.100 1.00 73.44 H new ATOM 0 HH21 ARG A 64 -3.448 5.837 8.570 1.00 0.32 H new ATOM 0 HH22 ARG A 64 -4.127 7.329 7.912 1.00 0.32 H new ATOM 1036 N ILE A 65 -4.116 -0.786 6.948 1.00 50.24 N ATOM 1037 CA ILE A 65 -4.452 -1.274 8.290 1.00 61.35 C ATOM 1038 C ILE A 65 -4.097 -0.224 9.354 1.00 74.43 C ATOM 1039 O ILE A 65 -3.009 0.352 9.329 1.00 4.34 O ATOM 1040 CB ILE A 65 -3.725 -2.604 8.631 1.00 64.04 C ATOM 1041 CG1 ILE A 65 -4.199 -3.731 7.702 1.00 13.51 C ATOM 1042 CG2 ILE A 65 -3.945 -2.984 10.099 1.00 44.23 C ATOM 1043 CD1 ILE A 65 -3.644 -5.093 8.054 1.00 44.14 C ATOM 0 H ILE A 65 -3.198 -0.347 6.882 1.00 50.24 H new ATOM 0 HA ILE A 65 -5.526 -1.459 8.293 1.00 61.35 H new ATOM 0 HB ILE A 65 -2.656 -2.458 8.476 1.00 64.04 H new ATOM 0 HG12 ILE A 65 -5.288 -3.776 7.728 1.00 13.51 H new ATOM 0 HG13 ILE A 65 -3.915 -3.488 6.678 1.00 13.51 H new ATOM 0 HG21 ILE A 65 -3.427 -3.918 10.315 1.00 44.23 H new ATOM 0 HG22 ILE A 65 -3.554 -2.195 10.742 1.00 44.23 H new ATOM 0 HG23 ILE A 65 -5.011 -3.109 10.287 1.00 44.23 H new ATOM 0 HD11 ILE A 65 -4.026 -5.834 7.352 1.00 44.14 H new ATOM 0 HD12 ILE A 65 -2.556 -5.068 7.999 1.00 44.14 H new ATOM 0 HD13 ILE A 65 -3.950 -5.360 9.065 1.00 44.14 H new ATOM 1055 N GLU A 66 -5.026 0.021 10.275 1.00 3.24 N ATOM 1056 CA GLU A 66 -4.794 0.951 11.389 1.00 35.14 C ATOM 1057 C GLU A 66 -5.454 0.432 12.677 1.00 71.53 C ATOM 1058 O GLU A 66 -6.574 -0.093 12.642 1.00 21.31 O ATOM 1059 CB GLU A 66 -5.310 2.358 11.038 1.00 72.02 C ATOM 1060 CG GLU A 66 -6.800 2.420 10.720 1.00 62.13 C ATOM 1061 CD GLU A 66 -7.292 3.842 10.499 1.00 52.13 C ATOM 1062 OE1 GLU A 66 -7.626 4.521 11.497 1.00 61.41 O ATOM 1063 OE2 GLU A 66 -7.356 4.289 9.334 1.00 73.42 O ATOM 0 H GLU A 66 -5.950 -0.410 10.276 1.00 3.24 H new ATOM 0 HA GLU A 66 -3.720 1.017 11.562 1.00 35.14 H new ATOM 0 HB2 GLU A 66 -5.101 3.027 11.872 1.00 72.02 H new ATOM 0 HB3 GLU A 66 -4.752 2.733 10.180 1.00 72.02 H new ATOM 0 HG2 GLU A 66 -7.002 1.827 9.828 1.00 62.13 H new ATOM 0 HG3 GLU A 66 -7.361 1.968 11.538 1.00 62.13 H new ATOM 1070 N ASP A 67 -4.747 0.561 13.806 1.00 10.10 N ATOM 1071 CA ASP A 67 -5.206 0.025 15.098 1.00 44.44 C ATOM 1072 C ASP A 67 -5.361 -1.512 15.009 1.00 71.22 C ATOM 1073 O ASP A 67 -6.180 -2.126 15.697 1.00 61.33 O ATOM 1074 CB ASP A 67 -6.520 0.707 15.523 1.00 62.33 C ATOM 1075 CG ASP A 67 -6.935 0.365 16.946 1.00 22.33 C ATOM 1076 OD1 ASP A 67 -6.167 0.659 17.885 1.00 62.32 O ATOM 1077 OD2 ASP A 67 -8.038 -0.183 17.138 1.00 71.12 O ATOM 0 H ASP A 67 -3.846 1.036 13.853 1.00 10.10 H new ATOM 0 HA ASP A 67 -4.461 0.242 15.864 1.00 44.44 H new ATOM 0 HB2 ASP A 67 -6.408 1.787 15.433 1.00 62.33 H new ATOM 0 HB3 ASP A 67 -7.314 0.411 14.838 1.00 62.33 H new ATOM 1082 N SER A 68 -4.538 -2.118 14.143 1.00 52.34 N ATOM 1083 CA SER A 68 -4.540 -3.573 13.891 1.00 70.01 C ATOM 1084 C SER A 68 -5.834 -4.039 13.198 1.00 10.10 C ATOM 1085 O SER A 68 -6.096 -5.240 13.085 1.00 4.21 O ATOM 1086 CB SER A 68 -4.324 -4.359 15.195 1.00 24.13 C ATOM 1087 OG SER A 68 -4.150 -5.749 14.939 1.00 12.33 O ATOM 0 H SER A 68 -3.845 -1.612 13.591 1.00 52.34 H new ATOM 0 HA SER A 68 -3.710 -3.777 13.215 1.00 70.01 H new ATOM 0 HB2 SER A 68 -3.449 -3.971 15.715 1.00 24.13 H new ATOM 0 HB3 SER A 68 -5.178 -4.213 15.856 1.00 24.13 H new ATOM 0 HG SER A 68 -4.662 -6.002 14.143 1.00 12.33 H new ATOM 1093 N ILE A 69 -6.628 -3.085 12.711 1.00 71.43 N ATOM 1094 CA ILE A 69 -7.881 -3.395 12.015 1.00 71.30 C ATOM 1095 C ILE A 69 -7.687 -3.400 10.487 1.00 24.04 C ATOM 1096 O ILE A 69 -7.264 -2.397 9.908 1.00 4.10 O ATOM 1097 CB ILE A 69 -8.992 -2.376 12.388 1.00 31.21 C ATOM 1098 CG1 ILE A 69 -9.216 -2.360 13.910 1.00 75.43 C ATOM 1099 CG2 ILE A 69 -10.293 -2.691 11.647 1.00 54.22 C ATOM 1100 CD1 ILE A 69 -9.649 -3.693 14.485 1.00 23.51 C ATOM 0 H ILE A 69 -6.426 -2.088 12.785 1.00 71.43 H new ATOM 0 HA ILE A 69 -8.186 -4.391 12.335 1.00 71.30 H new ATOM 0 HB ILE A 69 -8.665 -1.383 12.079 1.00 31.21 H new ATOM 0 HG12 ILE A 69 -8.293 -2.048 14.399 1.00 75.43 H new ATOM 0 HG13 ILE A 69 -9.972 -1.611 14.147 1.00 75.43 H new ATOM 0 HG21 ILE A 69 -11.055 -1.963 11.925 1.00 54.22 H new ATOM 0 HG22 ILE A 69 -10.120 -2.643 10.572 1.00 54.22 H new ATOM 0 HG23 ILE A 69 -10.631 -3.692 11.915 1.00 54.22 H new ATOM 0 HD11 ILE A 69 -9.786 -3.597 15.562 1.00 23.51 H new ATOM 0 HD12 ILE A 69 -10.589 -3.999 14.026 1.00 23.51 H new ATOM 0 HD13 ILE A 69 -8.884 -4.443 14.281 1.00 23.51 H new ATOM 1112 N PRO A 70 -7.979 -4.536 9.818 1.00 33.43 N ATOM 1113 CA PRO A 70 -7.892 -4.639 8.350 1.00 2.23 C ATOM 1114 C PRO A 70 -8.915 -3.738 7.639 1.00 62.42 C ATOM 1115 O PRO A 70 -10.122 -3.969 7.728 1.00 65.13 O ATOM 1116 CB PRO A 70 -8.191 -6.127 8.069 1.00 14.13 C ATOM 1117 CG PRO A 70 -8.006 -6.817 9.379 1.00 61.01 C ATOM 1118 CD PRO A 70 -8.397 -5.810 10.426 1.00 20.12 C ATOM 0 HA PRO A 70 -6.921 -4.313 7.978 1.00 2.23 H new ATOM 0 HB2 PRO A 70 -9.205 -6.261 7.693 1.00 14.13 H new ATOM 0 HB3 PRO A 70 -7.516 -6.529 7.313 1.00 14.13 H new ATOM 0 HG2 PRO A 70 -8.628 -7.710 9.443 1.00 61.01 H new ATOM 0 HG3 PRO A 70 -6.973 -7.138 9.510 1.00 61.01 H new ATOM 0 HD2 PRO A 70 -9.468 -5.831 10.628 1.00 20.12 H new ATOM 0 HD3 PRO A 70 -7.890 -5.993 11.373 1.00 20.12 H new ATOM 1126 N VAL A 71 -8.435 -2.708 6.944 1.00 14.33 N ATOM 1127 CA VAL A 71 -9.318 -1.778 6.237 1.00 72.31 C ATOM 1128 C VAL A 71 -9.582 -2.244 4.789 1.00 33.31 C ATOM 1129 O VAL A 71 -8.839 -1.908 3.864 1.00 14.01 O ATOM 1130 CB VAL A 71 -8.727 -0.337 6.233 1.00 20.55 C ATOM 1131 CG1 VAL A 71 -9.682 0.650 5.565 1.00 33.24 C ATOM 1132 CG2 VAL A 71 -8.384 0.110 7.661 1.00 2.45 C ATOM 0 H VAL A 71 -7.441 -2.495 6.855 1.00 14.33 H new ATOM 0 HA VAL A 71 -10.267 -1.764 6.772 1.00 72.31 H new ATOM 0 HB VAL A 71 -7.807 -0.351 5.649 1.00 20.55 H new ATOM 0 HG11 VAL A 71 -9.242 1.647 5.577 1.00 33.24 H new ATOM 0 HG12 VAL A 71 -9.859 0.344 4.534 1.00 33.24 H new ATOM 0 HG13 VAL A 71 -10.628 0.664 6.106 1.00 33.24 H new ATOM 0 HG21 VAL A 71 -7.972 1.119 7.637 1.00 2.45 H new ATOM 0 HG22 VAL A 71 -9.287 0.100 8.272 1.00 2.45 H new ATOM 0 HG23 VAL A 71 -7.649 -0.572 8.089 1.00 2.45 H new ATOM 1142 N LEU A 72 -10.640 -3.037 4.608 1.00 51.13 N ATOM 1143 CA LEU A 72 -11.040 -3.533 3.282 1.00 44.22 C ATOM 1144 C LEU A 72 -11.863 -2.486 2.502 1.00 70.13 C ATOM 1145 O LEU A 72 -12.726 -2.836 1.690 1.00 13.44 O ATOM 1146 CB LEU A 72 -11.865 -4.823 3.446 1.00 60.34 C ATOM 1147 CG LEU A 72 -11.180 -5.952 4.236 1.00 44.14 C ATOM 1148 CD1 LEU A 72 -12.108 -7.158 4.372 1.00 55.21 C ATOM 1149 CD2 LEU A 72 -9.863 -6.353 3.575 1.00 0.43 C ATOM 0 H LEU A 72 -11.242 -3.354 5.368 1.00 51.13 H new ATOM 0 HA LEU A 72 -10.134 -3.735 2.711 1.00 44.22 H new ATOM 0 HB2 LEU A 72 -12.803 -4.573 3.942 1.00 60.34 H new ATOM 0 HB3 LEU A 72 -12.119 -5.199 2.455 1.00 60.34 H new ATOM 0 HG LEU A 72 -10.958 -5.581 5.236 1.00 44.14 H new ATOM 0 HD11 LEU A 72 -11.603 -7.944 4.934 1.00 55.21 H new ATOM 0 HD12 LEU A 72 -13.015 -6.861 4.898 1.00 55.21 H new ATOM 0 HD13 LEU A 72 -12.368 -7.530 3.381 1.00 55.21 H new ATOM 0 HD21 LEU A 72 -9.396 -7.152 4.150 1.00 0.43 H new ATOM 0 HD22 LEU A 72 -10.056 -6.701 2.560 1.00 0.43 H new ATOM 0 HD23 LEU A 72 -9.195 -5.492 3.542 1.00 0.43 H new ATOM 1161 N LEU A 73 -11.583 -1.205 2.733 1.00 42.34 N ATOM 1162 CA LEU A 73 -12.299 -0.115 2.062 1.00 63.31 C ATOM 1163 C LEU A 73 -11.632 0.246 0.722 1.00 14.10 C ATOM 1164 O LEU A 73 -10.407 0.283 0.622 1.00 53.44 O ATOM 1165 CB LEU A 73 -12.357 1.114 2.976 1.00 22.14 C ATOM 1166 CG LEU A 73 -13.118 0.913 4.298 1.00 2.32 C ATOM 1167 CD1 LEU A 73 -13.094 2.187 5.137 1.00 14.20 C ATOM 1168 CD2 LEU A 73 -14.558 0.471 4.031 1.00 22.41 C ATOM 0 H LEU A 73 -10.862 -0.892 3.383 1.00 42.34 H new ATOM 0 HA LEU A 73 -13.314 -0.452 1.851 1.00 63.31 H new ATOM 0 HB2 LEU A 73 -11.338 1.424 3.206 1.00 22.14 H new ATOM 0 HB3 LEU A 73 -12.823 1.933 2.428 1.00 22.14 H new ATOM 0 HG LEU A 73 -12.617 0.126 4.861 1.00 2.32 H new ATOM 0 HD11 LEU A 73 -13.638 2.021 6.067 1.00 14.20 H new ATOM 0 HD12 LEU A 73 -12.062 2.454 5.364 1.00 14.20 H new ATOM 0 HD13 LEU A 73 -13.565 2.998 4.581 1.00 14.20 H new ATOM 0 HD21 LEU A 73 -15.078 0.334 4.979 1.00 22.41 H new ATOM 0 HD22 LEU A 73 -15.069 1.233 3.443 1.00 22.41 H new ATOM 0 HD23 LEU A 73 -14.554 -0.470 3.481 1.00 22.41 H new ATOM 1180 N PRO A 74 -12.437 0.539 -0.321 1.00 45.13 N ATOM 1181 CA PRO A 74 -11.922 0.757 -1.691 1.00 55.51 C ATOM 1182 C PRO A 74 -11.028 2.001 -1.838 1.00 61.22 C ATOM 1183 O PRO A 74 -10.082 2.000 -2.625 1.00 11.30 O ATOM 1184 CB PRO A 74 -13.202 0.916 -2.526 1.00 13.31 C ATOM 1185 CG PRO A 74 -14.240 1.367 -1.553 1.00 34.00 C ATOM 1186 CD PRO A 74 -13.906 0.685 -0.257 1.00 25.53 C ATOM 0 HA PRO A 74 -11.276 -0.065 -2.000 1.00 55.51 H new ATOM 0 HB2 PRO A 74 -13.065 1.645 -3.324 1.00 13.31 H new ATOM 0 HB3 PRO A 74 -13.485 -0.025 -2.999 1.00 13.31 H new ATOM 0 HG2 PRO A 74 -14.226 2.451 -1.440 1.00 34.00 H new ATOM 0 HG3 PRO A 74 -15.239 1.095 -1.892 1.00 34.00 H new ATOM 0 HD2 PRO A 74 -14.214 1.280 0.602 1.00 25.53 H new ATOM 0 HD3 PRO A 74 -14.403 -0.281 -0.171 1.00 25.53 H new ATOM 1194 N GLU A 75 -11.320 3.063 -1.087 1.00 3.03 N ATOM 1195 CA GLU A 75 -10.571 4.319 -1.226 1.00 71.11 C ATOM 1196 C GLU A 75 -9.237 4.306 -0.451 1.00 10.34 C ATOM 1197 O GLU A 75 -8.301 5.025 -0.807 1.00 12.22 O ATOM 1198 CB GLU A 75 -11.440 5.538 -0.849 1.00 20.24 C ATOM 1199 CG GLU A 75 -12.403 5.324 0.316 1.00 24.44 C ATOM 1200 CD GLU A 75 -11.707 5.134 1.647 1.00 52.51 C ATOM 1201 OE1 GLU A 75 -11.283 6.144 2.253 1.00 42.42 O ATOM 1202 OE2 GLU A 75 -11.607 3.984 2.103 1.00 33.11 O ATOM 0 H GLU A 75 -12.059 3.083 -0.384 1.00 3.03 H new ATOM 0 HA GLU A 75 -10.310 4.412 -2.280 1.00 71.11 H new ATOM 0 HB2 GLU A 75 -10.780 6.370 -0.604 1.00 20.24 H new ATOM 0 HB3 GLU A 75 -12.017 5.835 -1.725 1.00 20.24 H new ATOM 0 HG2 GLU A 75 -13.074 6.180 0.385 1.00 24.44 H new ATOM 0 HG3 GLU A 75 -13.021 4.450 0.110 1.00 24.44 H new ATOM 1209 N GLU A 76 -9.146 3.491 0.603 1.00 63.43 N ATOM 1210 CA GLU A 76 -7.869 3.292 1.320 1.00 4.41 C ATOM 1211 C GLU A 76 -6.981 2.247 0.615 1.00 44.32 C ATOM 1212 O GLU A 76 -5.985 1.789 1.180 1.00 31.13 O ATOM 1213 CB GLU A 76 -8.119 2.843 2.773 1.00 65.03 C ATOM 1214 CG GLU A 76 -8.795 3.887 3.663 1.00 54.24 C ATOM 1215 CD GLU A 76 -7.981 5.164 3.841 1.00 14.12 C ATOM 1216 OE1 GLU A 76 -6.736 5.094 3.887 1.00 3.42 O ATOM 1217 OE2 GLU A 76 -8.589 6.249 3.963 1.00 42.50 O ATOM 0 H GLU A 76 -9.930 2.959 0.982 1.00 63.43 H new ATOM 0 HA GLU A 76 -7.351 4.251 1.320 1.00 4.41 H new ATOM 0 HB2 GLU A 76 -8.736 1.945 2.759 1.00 65.03 H new ATOM 0 HB3 GLU A 76 -7.165 2.567 3.222 1.00 65.03 H new ATOM 0 HG2 GLU A 76 -9.765 4.142 3.236 1.00 54.24 H new ATOM 0 HG3 GLU A 76 -8.984 3.448 4.643 1.00 54.24 H new ATOM 1224 N ALA A 77 -7.340 1.878 -0.618 1.00 12.30 N ATOM 1225 CA ALA A 77 -6.594 0.865 -1.380 1.00 42.20 C ATOM 1226 C ALA A 77 -5.492 1.489 -2.259 1.00 65.14 C ATOM 1227 O ALA A 77 -5.654 2.586 -2.805 1.00 10.33 O ATOM 1228 CB ALA A 77 -7.552 0.042 -2.236 1.00 12.44 C ATOM 0 H ALA A 77 -8.144 2.265 -1.113 1.00 12.30 H new ATOM 0 HA ALA A 77 -6.100 0.214 -0.659 1.00 42.20 H new ATOM 0 HB1 ALA A 77 -6.989 -0.705 -2.796 1.00 12.44 H new ATOM 0 HB2 ALA A 77 -8.277 -0.457 -1.593 1.00 12.44 H new ATOM 0 HB3 ALA A 77 -8.075 0.699 -2.931 1.00 12.44 H new ATOM 1234 N ILE A 78 -4.373 0.771 -2.383 1.00 5.01 N ATOM 1235 CA ILE A 78 -3.228 1.207 -3.192 1.00 44.14 C ATOM 1236 C ILE A 78 -2.954 0.218 -4.342 1.00 22.13 C ATOM 1237 O ILE A 78 -3.028 -1.000 -4.157 1.00 0.24 O ATOM 1238 CB ILE A 78 -1.930 1.325 -2.335 1.00 34.02 C ATOM 1239 CG1 ILE A 78 -2.106 2.309 -1.161 1.00 55.34 C ATOM 1240 CG2 ILE A 78 -0.741 1.743 -3.204 1.00 24.14 C ATOM 1241 CD1 ILE A 78 -2.879 1.752 0.021 1.00 2.44 C ATOM 0 H ILE A 78 -4.233 -0.130 -1.926 1.00 5.01 H new ATOM 0 HA ILE A 78 -3.489 2.186 -3.594 1.00 44.14 H new ATOM 0 HB ILE A 78 -1.730 0.339 -1.915 1.00 34.02 H new ATOM 0 HG12 ILE A 78 -1.121 2.624 -0.818 1.00 55.34 H new ATOM 0 HG13 ILE A 78 -2.617 3.200 -1.525 1.00 55.34 H new ATOM 0 HG21 ILE A 78 0.153 1.819 -2.585 1.00 24.14 H new ATOM 0 HG22 ILE A 78 -0.581 0.998 -3.984 1.00 24.14 H new ATOM 0 HG23 ILE A 78 -0.948 2.710 -3.663 1.00 24.14 H new ATOM 0 HD11 ILE A 78 -2.953 2.513 0.798 1.00 2.44 H new ATOM 0 HD12 ILE A 78 -3.879 1.464 -0.302 1.00 2.44 H new ATOM 0 HD13 ILE A 78 -2.360 0.879 0.416 1.00 2.44 H new ATOM 1253 N ALA A 79 -2.639 0.738 -5.526 1.00 15.14 N ATOM 1254 CA ALA A 79 -2.224 -0.104 -6.651 1.00 73.34 C ATOM 1255 C ALA A 79 -0.697 -0.301 -6.658 1.00 54.11 C ATOM 1256 O ALA A 79 0.061 0.671 -6.666 1.00 24.43 O ATOM 1257 CB ALA A 79 -2.696 0.502 -7.968 1.00 2.31 C ATOM 0 H ALA A 79 -2.662 1.736 -5.734 1.00 15.14 H new ATOM 0 HA ALA A 79 -2.687 -1.084 -6.534 1.00 73.34 H new ATOM 0 HB1 ALA A 79 -2.381 -0.134 -8.795 1.00 2.31 H new ATOM 0 HB2 ALA A 79 -3.783 0.579 -7.964 1.00 2.31 H new ATOM 0 HB3 ALA A 79 -2.262 1.495 -8.088 1.00 2.31 H new ATOM 1263 N THR A 80 -0.249 -1.559 -6.666 1.00 4.33 N ATOM 1264 CA THR A 80 1.195 -1.878 -6.639 1.00 13.21 C ATOM 1265 C THR A 80 1.947 -1.269 -7.833 1.00 34.14 C ATOM 1266 O THR A 80 3.151 -1.015 -7.761 1.00 21.40 O ATOM 1267 CB THR A 80 1.441 -3.410 -6.622 1.00 73.25 C ATOM 1268 OG1 THR A 80 0.821 -4.027 -7.764 1.00 41.45 O ATOM 1269 CG2 THR A 80 0.894 -4.044 -5.346 1.00 34.24 C ATOM 0 H THR A 80 -0.858 -2.377 -6.691 1.00 4.33 H new ATOM 0 HA THR A 80 1.580 -1.438 -5.719 1.00 13.21 H new ATOM 0 HB THR A 80 2.518 -3.572 -6.657 1.00 73.25 H new ATOM 0 HG1 THR A 80 1.139 -4.950 -7.850 1.00 41.45 H new ATOM 0 HG21 THR A 80 1.082 -5.118 -5.364 1.00 34.24 H new ATOM 0 HG22 THR A 80 1.388 -3.604 -4.480 1.00 34.24 H new ATOM 0 HG23 THR A 80 -0.179 -3.864 -5.282 1.00 34.24 H new ATOM 1277 N ILE A 81 1.229 -1.030 -8.927 1.00 63.00 N ATOM 1278 CA ILE A 81 1.813 -0.438 -10.140 1.00 63.35 C ATOM 1279 C ILE A 81 2.241 1.029 -9.916 1.00 50.03 C ATOM 1280 O ILE A 81 3.022 1.590 -10.686 1.00 22.25 O ATOM 1281 CB ILE A 81 0.806 -0.514 -11.319 1.00 63.52 C ATOM 1282 CG1 ILE A 81 1.447 -0.048 -12.641 1.00 24.13 C ATOM 1283 CG2 ILE A 81 -0.447 0.308 -11.007 1.00 31.10 C ATOM 1284 CD1 ILE A 81 2.621 -0.898 -13.089 1.00 43.43 C ATOM 0 H ILE A 81 0.233 -1.237 -9.004 1.00 63.00 H new ATOM 0 HA ILE A 81 2.704 -1.016 -10.384 1.00 63.35 H new ATOM 0 HB ILE A 81 0.517 -1.558 -11.443 1.00 63.52 H new ATOM 0 HG12 ILE A 81 0.688 -0.054 -13.423 1.00 24.13 H new ATOM 0 HG13 ILE A 81 1.780 0.984 -12.528 1.00 24.13 H new ATOM 0 HG21 ILE A 81 -1.142 0.244 -11.844 1.00 31.10 H new ATOM 0 HG22 ILE A 81 -0.924 -0.083 -10.108 1.00 31.10 H new ATOM 0 HG23 ILE A 81 -0.168 1.349 -10.846 1.00 31.10 H new ATOM 0 HD11 ILE A 81 3.017 -0.506 -14.026 1.00 43.43 H new ATOM 0 HD12 ILE A 81 3.400 -0.873 -12.327 1.00 43.43 H new ATOM 0 HD13 ILE A 81 2.291 -1.926 -13.236 1.00 43.43 H new ATOM 1296 N GLN A 82 1.724 1.644 -8.854 1.00 41.52 N ATOM 1297 CA GLN A 82 2.045 3.039 -8.531 1.00 64.31 C ATOM 1298 C GLN A 82 3.299 3.137 -7.638 1.00 61.24 C ATOM 1299 O GLN A 82 3.825 4.226 -7.392 1.00 52.43 O ATOM 1300 CB GLN A 82 0.836 3.701 -7.843 1.00 71.10 C ATOM 1301 CG GLN A 82 1.000 5.194 -7.573 1.00 32.43 C ATOM 1302 CD GLN A 82 1.272 6.006 -8.831 1.00 22.33 C ATOM 1303 OE1 GLN A 82 0.848 5.645 -9.926 1.00 2.42 O ATOM 1304 NE2 GLN A 82 1.974 7.110 -8.685 1.00 63.23 N ATOM 0 H GLN A 82 1.080 1.200 -8.200 1.00 41.52 H new ATOM 0 HA GLN A 82 2.265 3.566 -9.459 1.00 64.31 H new ATOM 0 HB2 GLN A 82 -0.046 3.552 -8.465 1.00 71.10 H new ATOM 0 HB3 GLN A 82 0.649 3.192 -6.897 1.00 71.10 H new ATOM 0 HG2 GLN A 82 0.097 5.571 -7.094 1.00 32.43 H new ATOM 0 HG3 GLN A 82 1.819 5.341 -6.869 1.00 32.43 H new ATOM 0 HE21 GLN A 82 2.311 7.381 -7.761 1.00 63.23 H new ATOM 0 HE22 GLN A 82 2.180 7.694 -9.495 1.00 63.23 H new ATOM 1313 N ILE A 83 3.784 1.992 -7.162 1.00 40.34 N ATOM 1314 CA ILE A 83 4.958 1.968 -6.287 1.00 43.32 C ATOM 1315 C ILE A 83 6.263 1.930 -7.102 1.00 41.45 C ATOM 1316 O ILE A 83 6.732 0.867 -7.510 1.00 4.20 O ATOM 1317 CB ILE A 83 4.918 0.760 -5.316 1.00 64.50 C ATOM 1318 CG1 ILE A 83 3.587 0.738 -4.540 1.00 1.22 C ATOM 1319 CG2 ILE A 83 6.106 0.804 -4.353 1.00 33.20 C ATOM 1320 CD1 ILE A 83 3.315 1.994 -3.736 1.00 33.13 C ATOM 0 H ILE A 83 3.387 1.074 -7.364 1.00 40.34 H new ATOM 0 HA ILE A 83 4.934 2.888 -5.702 1.00 43.32 H new ATOM 0 HB ILE A 83 4.989 -0.157 -5.901 1.00 64.50 H new ATOM 0 HG12 ILE A 83 2.770 0.588 -5.246 1.00 1.22 H new ATOM 0 HG13 ILE A 83 3.587 -0.119 -3.866 1.00 1.22 H new ATOM 0 HG21 ILE A 83 6.060 -0.052 -3.680 1.00 33.20 H new ATOM 0 HG22 ILE A 83 7.036 0.770 -4.921 1.00 33.20 H new ATOM 0 HG23 ILE A 83 6.069 1.725 -3.772 1.00 33.20 H new ATOM 0 HD11 ILE A 83 2.359 1.896 -3.221 1.00 33.13 H new ATOM 0 HD12 ILE A 83 4.109 2.136 -3.003 1.00 33.13 H new ATOM 0 HD13 ILE A 83 3.280 2.854 -4.405 1.00 33.13 H new ATOM 1332 N ALA A 84 6.849 3.108 -7.320 1.00 62.23 N ATOM 1333 CA ALA A 84 8.081 3.246 -8.118 1.00 22.50 C ATOM 1334 C ALA A 84 9.326 2.665 -7.417 1.00 12.21 C ATOM 1335 O ALA A 84 10.454 2.901 -7.853 1.00 75.03 O ATOM 1336 CB ALA A 84 8.305 4.717 -8.453 1.00 51.53 C ATOM 0 H ALA A 84 6.491 3.990 -6.954 1.00 62.23 H new ATOM 0 HA ALA A 84 7.942 2.665 -9.030 1.00 22.50 H new ATOM 0 HB1 ALA A 84 9.216 4.821 -9.043 1.00 51.53 H new ATOM 0 HB2 ALA A 84 7.457 5.093 -9.025 1.00 51.53 H new ATOM 0 HB3 ALA A 84 8.403 5.289 -7.531 1.00 51.53 H new ATOM 1342 N ASN A 85 9.124 1.907 -6.339 1.00 71.14 N ATOM 1343 CA ASN A 85 10.237 1.283 -5.605 1.00 32.24 C ATOM 1344 C ASN A 85 10.236 -0.250 -5.772 1.00 12.12 C ATOM 1345 O ASN A 85 11.046 -0.950 -5.167 1.00 32.41 O ATOM 1346 CB ASN A 85 10.165 1.660 -4.119 1.00 0.52 C ATOM 1347 CG ASN A 85 10.415 3.141 -3.888 1.00 45.11 C ATOM 1348 OD1 ASN A 85 11.544 3.567 -3.672 1.00 43.23 O ATOM 1349 ND2 ASN A 85 9.369 3.940 -3.934 1.00 73.35 N ATOM 0 H ASN A 85 8.202 1.707 -5.951 1.00 71.14 H new ATOM 0 HA ASN A 85 11.170 1.660 -6.024 1.00 32.24 H new ATOM 0 HB2 ASN A 85 9.184 1.394 -3.726 1.00 0.52 H new ATOM 0 HB3 ASN A 85 10.900 1.078 -3.563 1.00 0.52 H new ATOM 0 HD21 ASN A 85 9.486 4.943 -3.788 1.00 73.35 H new ATOM 0 HD22 ASN A 85 8.442 3.556 -4.116 1.00 73.35 H new ATOM 1356 N PHE A 86 9.324 -0.761 -6.598 1.00 24.23 N ATOM 1357 CA PHE A 86 9.263 -2.198 -6.895 1.00 41.53 C ATOM 1358 C PHE A 86 10.334 -2.608 -7.924 1.00 52.22 C ATOM 1359 O PHE A 86 10.609 -1.871 -8.876 1.00 30.42 O ATOM 1360 CB PHE A 86 7.859 -2.583 -7.402 1.00 3.41 C ATOM 1361 CG PHE A 86 6.924 -3.080 -6.323 1.00 2.11 C ATOM 1362 CD1 PHE A 86 6.796 -2.399 -5.123 1.00 13.41 C ATOM 1363 CD2 PHE A 86 6.175 -4.235 -6.512 1.00 41.54 C ATOM 1364 CE1 PHE A 86 5.941 -2.854 -4.136 1.00 11.41 C ATOM 1365 CE2 PHE A 86 5.319 -4.694 -5.527 1.00 64.53 C ATOM 1366 CZ PHE A 86 5.204 -4.003 -4.339 1.00 34.02 C ATOM 0 H PHE A 86 8.615 -0.204 -7.075 1.00 24.23 H new ATOM 0 HA PHE A 86 9.466 -2.737 -5.969 1.00 41.53 H new ATOM 0 HB2 PHE A 86 7.409 -1.716 -7.885 1.00 3.41 H new ATOM 0 HB3 PHE A 86 7.960 -3.356 -8.164 1.00 3.41 H new ATOM 0 HD1 PHE A 86 7.372 -1.501 -4.956 1.00 13.41 H new ATOM 0 HD2 PHE A 86 6.262 -4.781 -7.440 1.00 41.54 H new ATOM 0 HE1 PHE A 86 5.850 -2.311 -3.207 1.00 11.41 H new ATOM 0 HE2 PHE A 86 4.742 -5.592 -5.688 1.00 64.53 H new ATOM 0 HZ PHE A 86 4.538 -4.361 -3.568 1.00 34.02 H new ATOM 1376 N PRO A 87 10.958 -3.795 -7.742 1.00 70.32 N ATOM 1377 CA PRO A 87 11.999 -4.304 -8.662 1.00 12.32 C ATOM 1378 C PRO A 87 11.509 -4.456 -10.116 1.00 42.14 C ATOM 1379 O PRO A 87 10.672 -5.311 -10.424 1.00 25.10 O ATOM 1380 CB PRO A 87 12.367 -5.677 -8.066 1.00 63.30 C ATOM 1381 CG PRO A 87 11.945 -5.599 -6.637 1.00 41.13 C ATOM 1382 CD PRO A 87 10.717 -4.726 -6.624 1.00 62.54 C ATOM 0 HA PRO A 87 12.838 -3.612 -8.732 1.00 12.32 H new ATOM 0 HB2 PRO A 87 11.853 -6.485 -8.587 1.00 63.30 H new ATOM 0 HB3 PRO A 87 13.436 -5.872 -8.153 1.00 63.30 H new ATOM 0 HG2 PRO A 87 11.726 -6.590 -6.238 1.00 41.13 H new ATOM 0 HG3 PRO A 87 12.735 -5.174 -6.018 1.00 41.13 H new ATOM 0 HD2 PRO A 87 9.807 -5.308 -6.772 1.00 62.54 H new ATOM 0 HD3 PRO A 87 10.607 -4.199 -5.676 1.00 62.54 H new ATOM 1390 N ASP A 88 12.041 -3.618 -11.004 1.00 70.41 N ATOM 1391 CA ASP A 88 11.678 -3.643 -12.425 1.00 75.42 C ATOM 1392 C ASP A 88 12.535 -4.657 -13.212 1.00 64.54 C ATOM 1393 O ASP A 88 13.762 -4.653 -13.115 1.00 52.34 O ATOM 1394 CB ASP A 88 11.838 -2.235 -13.017 1.00 32.01 C ATOM 1395 CG ASP A 88 13.237 -1.675 -12.808 1.00 74.13 C ATOM 1396 OD1 ASP A 88 13.551 -1.245 -11.676 1.00 25.40 O ATOM 1397 OD2 ASP A 88 14.034 -1.672 -13.768 1.00 33.44 O ATOM 0 H ASP A 88 12.731 -2.906 -10.764 1.00 70.41 H new ATOM 0 HA ASP A 88 10.639 -3.960 -12.509 1.00 75.42 H new ATOM 0 HB2 ASP A 88 11.617 -2.265 -14.084 1.00 32.01 H new ATOM 0 HB3 ASP A 88 11.109 -1.566 -12.559 1.00 32.01 H new ATOM 1402 N LYS A 89 11.885 -5.525 -13.987 1.00 63.30 N ATOM 1403 CA LYS A 89 12.605 -6.529 -14.786 1.00 61.45 C ATOM 1404 C LYS A 89 13.131 -5.943 -16.107 1.00 32.11 C ATOM 1405 O LYS A 89 12.681 -4.888 -16.565 1.00 24.22 O ATOM 1406 CB LYS A 89 11.705 -7.736 -15.098 1.00 32.11 C ATOM 1407 CG LYS A 89 10.538 -7.419 -16.037 1.00 52.22 C ATOM 1408 CD LYS A 89 9.894 -8.682 -16.613 1.00 70.41 C ATOM 1409 CE LYS A 89 10.885 -9.505 -17.440 1.00 31.24 C ATOM 1410 NZ LYS A 89 10.226 -10.633 -18.149 1.00 60.43 N ATOM 0 H LYS A 89 10.870 -5.558 -14.082 1.00 63.30 H new ATOM 0 HA LYS A 89 13.455 -6.852 -14.184 1.00 61.45 H new ATOM 0 HB2 LYS A 89 12.313 -8.523 -15.544 1.00 32.11 H new ATOM 0 HB3 LYS A 89 11.308 -8.131 -14.163 1.00 32.11 H new ATOM 0 HG2 LYS A 89 9.786 -6.845 -15.496 1.00 52.22 H new ATOM 0 HG3 LYS A 89 10.893 -6.790 -16.854 1.00 52.22 H new ATOM 0 HD2 LYS A 89 9.505 -9.294 -15.799 1.00 70.41 H new ATOM 0 HD3 LYS A 89 9.045 -8.404 -17.237 1.00 70.41 H new ATOM 0 HE2 LYS A 89 11.374 -8.857 -18.168 1.00 31.24 H new ATOM 0 HE3 LYS A 89 11.665 -9.895 -16.786 1.00 31.24 H new ATOM 0 HZ1 LYS A 89 10.780 -11.502 -18.009 1.00 60.43 H new ATOM 0 HZ2 LYS A 89 9.267 -10.769 -17.770 1.00 60.43 H new ATOM 0 HZ3 LYS A 89 10.169 -10.419 -19.165 1.00 60.43 H new ATOM 1424 N LEU A 90 14.091 -6.640 -16.711 1.00 42.55 N ATOM 1425 CA LEU A 90 14.594 -6.289 -18.042 1.00 12.15 C ATOM 1426 C LEU A 90 13.828 -7.074 -19.121 1.00 53.21 C ATOM 1427 O LEU A 90 13.839 -8.307 -19.120 1.00 70.12 O ATOM 1428 CB LEU A 90 16.097 -6.597 -18.133 1.00 13.20 C ATOM 1429 CG LEU A 90 16.773 -6.201 -19.456 1.00 21.51 C ATOM 1430 CD1 LEU A 90 16.750 -4.687 -19.642 1.00 30.34 C ATOM 1431 CD2 LEU A 90 18.205 -6.731 -19.509 1.00 50.14 C ATOM 0 H LEU A 90 14.540 -7.457 -16.298 1.00 42.55 H new ATOM 0 HA LEU A 90 14.440 -5.223 -18.208 1.00 12.15 H new ATOM 0 HB2 LEU A 90 16.606 -6.084 -17.317 1.00 13.20 H new ATOM 0 HB3 LEU A 90 16.242 -7.666 -17.977 1.00 13.20 H new ATOM 0 HG LEU A 90 16.212 -6.652 -20.274 1.00 21.51 H new ATOM 0 HD11 LEU A 90 17.233 -4.429 -20.584 1.00 30.34 H new ATOM 0 HD12 LEU A 90 15.718 -4.338 -19.656 1.00 30.34 H new ATOM 0 HD13 LEU A 90 17.283 -4.211 -18.819 1.00 30.34 H new ATOM 0 HD21 LEU A 90 18.666 -6.440 -20.453 1.00 50.14 H new ATOM 0 HD22 LEU A 90 18.778 -6.313 -18.681 1.00 50.14 H new ATOM 0 HD23 LEU A 90 18.194 -7.818 -19.431 1.00 50.14 H new ATOM 1443 N GLU A 91 13.157 -6.371 -20.033 1.00 55.22 N ATOM 1444 CA GLU A 91 12.317 -7.034 -21.044 1.00 30.25 C ATOM 1445 C GLU A 91 12.578 -6.499 -22.461 1.00 74.23 C ATOM 1446 O GLU A 91 12.766 -5.294 -22.657 1.00 73.03 O ATOM 1447 CB GLU A 91 10.833 -6.861 -20.690 1.00 70.50 C ATOM 1448 CG GLU A 91 9.889 -7.647 -21.595 1.00 3.33 C ATOM 1449 CD GLU A 91 10.171 -9.140 -21.566 1.00 63.54 C ATOM 1450 OE1 GLU A 91 9.656 -9.828 -20.659 1.00 11.44 O ATOM 1451 OE2 GLU A 91 10.923 -9.630 -22.438 1.00 74.43 O ATOM 0 H GLU A 91 13.174 -5.353 -20.097 1.00 55.22 H new ATOM 0 HA GLU A 91 12.580 -8.092 -21.039 1.00 30.25 H new ATOM 0 HB2 GLU A 91 10.676 -7.174 -19.658 1.00 70.50 H new ATOM 0 HB3 GLU A 91 10.577 -5.803 -20.745 1.00 70.50 H new ATOM 0 HG2 GLU A 91 8.859 -7.468 -21.285 1.00 3.33 H new ATOM 0 HG3 GLU A 91 9.982 -7.282 -22.618 1.00 3.33 H new ATOM 1458 N HIS A 92 12.582 -7.406 -23.445 1.00 15.53 N ATOM 1459 CA HIS A 92 12.808 -7.039 -24.858 1.00 13.31 C ATOM 1460 C HIS A 92 12.161 -8.031 -25.850 1.00 65.24 C ATOM 1461 O HIS A 92 12.057 -7.732 -27.043 1.00 3.11 O ATOM 1462 CB HIS A 92 14.316 -6.956 -25.163 1.00 45.02 C ATOM 1463 CG HIS A 92 15.013 -5.783 -24.544 1.00 22.10 C ATOM 1464 ND1 HIS A 92 15.759 -5.871 -23.388 1.00 44.14 N ATOM 1465 CD2 HIS A 92 15.091 -4.489 -24.935 1.00 30.02 C ATOM 1466 CE1 HIS A 92 16.259 -4.689 -23.097 1.00 2.33 C ATOM 1467 NE2 HIS A 92 15.869 -3.836 -24.018 1.00 3.12 N ATOM 0 H HIS A 92 12.431 -8.403 -23.293 1.00 15.53 H new ATOM 0 HA HIS A 92 12.335 -6.066 -24.993 1.00 13.31 H new ATOM 0 HB2 HIS A 92 14.795 -7.871 -24.815 1.00 45.02 H new ATOM 0 HB3 HIS A 92 14.453 -6.915 -26.244 1.00 45.02 H new ATOM 0 HD2 HIS A 92 14.626 -4.054 -25.807 1.00 30.02 H new ATOM 0 HE1 HIS A 92 16.883 -4.459 -22.246 1.00 2.33 H new ATOM 0 HE2 HIS A 92 16.108 -2.845 -24.045 1.00 3.12 H new ATOM 1476 N HIS A 93 11.712 -9.196 -25.376 1.00 45.32 N ATOM 1477 CA HIS A 93 11.279 -10.270 -26.289 1.00 64.41 C ATOM 1478 C HIS A 93 9.917 -10.868 -25.883 1.00 44.25 C ATOM 1479 O HIS A 93 9.579 -10.935 -24.701 1.00 12.33 O ATOM 1480 CB HIS A 93 12.357 -11.367 -26.321 1.00 43.53 C ATOM 1481 CG HIS A 93 12.254 -12.297 -27.494 1.00 51.20 C ATOM 1482 ND1 HIS A 93 12.696 -11.964 -28.756 1.00 52.22 N ATOM 1483 CD2 HIS A 93 11.774 -13.561 -27.592 1.00 4.12 C ATOM 1484 CE1 HIS A 93 12.495 -12.973 -29.574 1.00 14.35 C ATOM 1485 NE2 HIS A 93 11.939 -13.953 -28.895 1.00 65.31 N ATOM 0 H HIS A 93 11.637 -9.423 -24.384 1.00 45.32 H new ATOM 0 HA HIS A 93 11.151 -9.840 -27.283 1.00 64.41 H new ATOM 0 HB2 HIS A 93 13.339 -10.895 -26.331 1.00 43.53 H new ATOM 0 HB3 HIS A 93 12.293 -11.950 -25.402 1.00 43.53 H new ATOM 0 HD2 HIS A 93 11.343 -14.148 -26.794 1.00 4.12 H new ATOM 0 HE1 HIS A 93 12.744 -12.994 -30.625 1.00 14.35 H new ATOM 0 HE2 HIS A 93 11.673 -14.860 -29.277 1.00 65.31 H new ATOM 1494 N HIS A 94 9.136 -11.310 -26.875 1.00 4.10 N ATOM 1495 CA HIS A 94 7.829 -11.935 -26.613 1.00 23.25 C ATOM 1496 C HIS A 94 8.007 -13.279 -25.886 1.00 33.40 C ATOM 1497 O HIS A 94 8.110 -14.333 -26.515 1.00 54.43 O ATOM 1498 CB HIS A 94 7.046 -12.146 -27.919 1.00 22.10 C ATOM 1499 CG HIS A 94 6.741 -10.879 -28.670 1.00 23.34 C ATOM 1500 ND1 HIS A 94 5.521 -10.628 -29.259 1.00 54.42 N ATOM 1501 CD2 HIS A 94 7.510 -9.796 -28.946 1.00 14.24 C ATOM 1502 CE1 HIS A 94 5.552 -9.458 -29.861 1.00 22.33 C ATOM 1503 NE2 HIS A 94 6.745 -8.929 -29.685 1.00 43.33 N ATOM 0 H HIS A 94 9.382 -11.248 -27.863 1.00 4.10 H new ATOM 0 HA HIS A 94 7.260 -11.260 -25.974 1.00 23.25 H new ATOM 0 HB2 HIS A 94 7.617 -12.810 -28.568 1.00 22.10 H new ATOM 0 HB3 HIS A 94 6.109 -12.653 -27.689 1.00 22.10 H new ATOM 0 HD2 HIS A 94 8.535 -9.644 -28.641 1.00 14.24 H new ATOM 0 HE1 HIS A 94 4.736 -9.008 -30.407 1.00 22.33 H new ATOM 0 HE2 HIS A 94 7.051 -8.023 -30.040 1.00 43.33 H new ATOM 1512 N HIS A 95 8.052 -13.224 -24.558 1.00 13.24 N ATOM 1513 CA HIS A 95 8.291 -14.412 -23.720 1.00 13.24 C ATOM 1514 C HIS A 95 7.044 -15.318 -23.609 1.00 24.14 C ATOM 1515 O HIS A 95 6.823 -15.959 -22.580 1.00 14.31 O ATOM 1516 CB HIS A 95 8.747 -13.961 -22.322 1.00 23.10 C ATOM 1517 CG HIS A 95 7.765 -13.060 -21.632 1.00 62.11 C ATOM 1518 ND1 HIS A 95 7.904 -11.691 -21.573 1.00 61.44 N ATOM 1519 CD2 HIS A 95 6.608 -13.339 -20.978 1.00 54.52 C ATOM 1520 CE1 HIS A 95 6.884 -11.172 -20.922 1.00 52.01 C ATOM 1521 NE2 HIS A 95 6.084 -12.146 -20.551 1.00 73.44 N ATOM 0 H HIS A 95 7.925 -12.362 -24.027 1.00 13.24 H new ATOM 0 HA HIS A 95 9.070 -15.006 -24.197 1.00 13.24 H new ATOM 0 HB2 HIS A 95 8.917 -14.842 -21.703 1.00 23.10 H new ATOM 0 HB3 HIS A 95 9.703 -13.444 -22.410 1.00 23.10 H new ATOM 0 HD1 HIS A 95 8.678 -11.161 -21.972 1.00 61.44 H new ATOM 0 HD2 HIS A 95 6.180 -14.318 -20.823 1.00 54.52 H new ATOM 0 HE1 HIS A 95 6.731 -10.121 -20.726 1.00 52.01 H new ATOM 1530 N HIS A 96 6.250 -15.393 -24.674 1.00 32.41 N ATOM 1531 CA HIS A 96 5.025 -16.204 -24.671 1.00 41.23 C ATOM 1532 C HIS A 96 4.667 -16.686 -26.089 1.00 21.24 C ATOM 1533 O HIS A 96 3.497 -16.723 -26.460 1.00 73.34 O ATOM 1534 CB HIS A 96 3.860 -15.401 -24.059 1.00 51.30 C ATOM 1535 CG HIS A 96 3.327 -15.991 -22.785 1.00 32.03 C ATOM 1536 ND1 HIS A 96 3.095 -15.248 -21.645 1.00 11.43 N ATOM 1537 CD2 HIS A 96 2.957 -17.260 -22.477 1.00 72.32 C ATOM 1538 CE1 HIS A 96 2.608 -16.027 -20.702 1.00 43.00 C ATOM 1539 NE2 HIS A 96 2.514 -17.249 -21.178 1.00 23.44 N ATOM 0 H HIS A 96 6.428 -14.904 -25.551 1.00 32.41 H new ATOM 0 HA HIS A 96 5.205 -17.088 -24.059 1.00 41.23 H new ATOM 0 HB2 HIS A 96 4.194 -14.382 -23.866 1.00 51.30 H new ATOM 0 HB3 HIS A 96 3.051 -15.338 -24.787 1.00 51.30 H new ATOM 0 HD1 HIS A 96 3.274 -14.248 -21.548 1.00 11.43 H new ATOM 0 HD2 HIS A 96 3.003 -18.118 -23.132 1.00 72.32 H new ATOM 0 HE1 HIS A 96 2.332 -15.715 -19.706 1.00 43.00 H new ATOM 1548 N HIS A 97 5.693 -17.093 -26.849 1.00 13.13 N ATOM 1549 CA HIS A 97 5.540 -17.556 -28.246 1.00 52.11 C ATOM 1550 C HIS A 97 4.541 -16.697 -29.062 1.00 33.32 C ATOM 1551 O HIS A 97 4.937 -15.599 -29.517 1.00 37.77 O ATOM 1552 CB HIS A 97 5.186 -19.065 -28.298 1.00 75.21 C ATOM 1553 CG HIS A 97 4.073 -19.496 -27.383 1.00 11.21 C ATOM 1554 ND1 HIS A 97 4.294 -20.013 -26.125 1.00 32.35 N ATOM 1555 CD2 HIS A 97 2.727 -19.492 -27.548 1.00 23.11 C ATOM 1556 CE1 HIS A 97 3.141 -20.304 -25.559 1.00 10.32 C ATOM 1557 NE2 HIS A 97 2.175 -19.997 -26.396 1.00 15.43 N ATOM 1558 OXT HIS A 97 3.380 -17.120 -29.258 1.00 37.77 O ATOM 0 H HIS A 97 6.657 -17.113 -26.517 1.00 13.13 H new ATOM 0 HA HIS A 97 6.508 -17.423 -28.729 1.00 52.11 H new ATOM 0 HB2 HIS A 97 4.913 -19.322 -29.321 1.00 75.21 H new ATOM 0 HB3 HIS A 97 6.079 -19.640 -28.052 1.00 75.21 H new ATOM 0 HD2 HIS A 97 2.189 -19.155 -28.422 1.00 23.11 H new ATOM 0 HE1 HIS A 97 3.011 -20.724 -24.573 1.00 10.32 H new ATOM 0 HE2 HIS A 97 1.177 -20.115 -26.219 1.00 15.43 H new TER 1567 HIS A 97