USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1084 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 123 LYS NZ :NH3+ 131:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 125 SER OG : rot 42:sc= 1.39 USER MOD Set 2.1: A 5 HIS :FLIP no HE2:sc= -0.078 F(o=-1.9,f=-0.52) USER MOD Set 2.2: A 102 ASN :FLIP amide:sc= -0.342 F(o=-1.5,f=-0.52) USER MOD Set 2.3: A 103 GLN : amide:sc= -0.0965 K(o=-0.52,f=-4.3) USER MOD Set 3.1: A 78 ASN : amide:sc= 0.0533 K(o=0.26,f=-3.6!) USER MOD Set 3.2: A 81 THR OG1 : rot -87:sc= 0.206 USER MOD Set 4.1: A 41 CYS SG : rot 180:sc= -1.34 USER MOD Set 4.2: A 42 SER OG : rot -39:sc= 0.858 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0374 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 3 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.087) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.734 K(o=-0.73,f=-6.4!) USER MOD Single : A 13 HIS : no HD1:sc= 0.106 K(o=0.11,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc=-0.000767 USER MOD Single : A 26 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.2) USER MOD Single : A 27 SER OG : rot 60:sc= 1.14 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -91:sc= 0.623 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -175:sc= -0.491 (180deg=-0.593) USER MOD Single : A 46 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-4.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0989 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.728 USER MOD Single : A 56 HIS : no HE2:sc= 0.88 K(o=0.88,f=-4.4!) USER MOD Single : A 59 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-2.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.21) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0294 (180deg=-0.174) USER MOD Single : A 66 TYR OH : rot -177:sc= -1.93! USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= -0.618 (180deg=-0.87) USER MOD Single : A 73 SER OG : rot 180:sc=-0.000494 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.225 K(o=-0.23,f=-9.3!) USER MOD Single : A 89 GLN : amide:sc= -0.0624 X(o=-0.062,f=0.0045) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.706 K(o=-0.71,f=-1.6) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 171:sc= 2.39 (180deg=2.13) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.528 -19.885 -5.220 1.00 12.44 N ATOM 2 CA GLY A 1 -19.882 -19.969 -6.639 1.00 3.33 C ATOM 3 C GLY A 1 -19.273 -18.831 -7.420 1.00 13.53 C ATOM 4 O GLY A 1 -18.171 -18.362 -7.091 1.00 14.31 O ATOM 0 H1 GLY A 1 -19.408 -20.844 -4.835 1.00 12.44 H new ATOM 0 H2 GLY A 1 -18.639 -19.356 -5.115 1.00 12.44 H new ATOM 0 H3 GLY A 1 -20.285 -19.396 -4.702 1.00 12.44 H new ATOM 0 HA2 GLY A 1 -19.538 -20.919 -7.047 1.00 3.33 H new ATOM 0 HA3 GLY A 1 -20.966 -19.950 -6.748 1.00 3.33 H new ATOM 10 N HIS A 2 -19.973 -18.371 -8.440 1.00 12.31 N ATOM 11 CA HIS A 2 -19.513 -17.260 -9.254 1.00 54.23 C ATOM 12 C HIS A 2 -19.789 -15.958 -8.515 1.00 52.45 C ATOM 13 O HIS A 2 -20.848 -15.351 -8.668 1.00 45.23 O ATOM 14 CB HIS A 2 -20.199 -17.263 -10.645 1.00 10.45 C ATOM 15 CG HIS A 2 -19.787 -16.140 -11.571 1.00 33.15 C ATOM 16 ND1 HIS A 2 -20.466 -14.952 -11.651 1.00 44.31 N ATOM 17 CD2 HIS A 2 -18.773 -16.044 -12.457 1.00 30.32 C ATOM 18 CE1 HIS A 2 -19.896 -14.175 -12.540 1.00 33.23 C ATOM 19 NE2 HIS A 2 -18.862 -14.810 -13.048 1.00 53.43 N ATOM 0 H HIS A 2 -20.873 -18.755 -8.727 1.00 12.31 H new ATOM 0 HA HIS A 2 -18.441 -17.361 -9.424 1.00 54.23 H new ATOM 0 HB2 HIS A 2 -19.985 -18.213 -11.135 1.00 10.45 H new ATOM 0 HB3 HIS A 2 -21.278 -17.215 -10.500 1.00 10.45 H new ATOM 0 HD2 HIS A 2 -18.029 -16.800 -12.662 1.00 30.32 H new ATOM 0 HE1 HIS A 2 -20.221 -13.181 -12.810 1.00 33.23 H new ATOM 0 HE2 HIS A 2 -18.232 -14.445 -13.762 1.00 53.43 H new ATOM 28 N HIS A 3 -18.876 -15.590 -7.655 1.00 73.23 N ATOM 29 CA HIS A 3 -19.012 -14.383 -6.875 1.00 32.45 C ATOM 30 C HIS A 3 -17.613 -13.869 -6.528 1.00 3.21 C ATOM 31 O HIS A 3 -17.418 -13.090 -5.602 1.00 40.00 O ATOM 32 CB HIS A 3 -19.833 -14.692 -5.613 1.00 11.41 C ATOM 33 CG HIS A 3 -20.274 -13.486 -4.847 1.00 72.21 C ATOM 34 ND1 HIS A 3 -19.871 -13.217 -3.566 1.00 14.14 N ATOM 35 CD2 HIS A 3 -21.130 -12.500 -5.183 1.00 3.42 C ATOM 36 CE1 HIS A 3 -20.458 -12.125 -3.146 1.00 63.24 C ATOM 37 NE2 HIS A 3 -21.226 -11.668 -4.110 1.00 43.20 N ATOM 0 H HIS A 3 -18.020 -16.114 -7.474 1.00 73.23 H new ATOM 0 HA HIS A 3 -19.536 -13.609 -7.435 1.00 32.45 H new ATOM 0 HB2 HIS A 3 -20.714 -15.266 -5.900 1.00 11.41 H new ATOM 0 HB3 HIS A 3 -19.239 -15.327 -4.955 1.00 11.41 H new ATOM 0 HD2 HIS A 3 -21.643 -12.391 -6.127 1.00 3.42 H new ATOM 0 HE1 HIS A 3 -20.333 -11.675 -2.172 1.00 63.24 H new ATOM 0 HE2 HIS A 3 -21.801 -10.827 -4.062 1.00 43.20 H new ATOM 46 N HIS A 4 -16.656 -14.298 -7.321 1.00 71.13 N ATOM 47 CA HIS A 4 -15.263 -13.897 -7.162 1.00 64.43 C ATOM 48 C HIS A 4 -15.075 -12.600 -7.900 1.00 23.20 C ATOM 49 O HIS A 4 -15.983 -12.184 -8.630 1.00 45.40 O ATOM 50 CB HIS A 4 -14.315 -14.963 -7.741 1.00 64.20 C ATOM 51 CG HIS A 4 -14.425 -16.299 -7.086 1.00 64.21 C ATOM 52 ND1 HIS A 4 -14.959 -17.404 -7.711 1.00 33.14 N ATOM 53 CD2 HIS A 4 -14.057 -16.710 -5.857 1.00 1.11 C ATOM 54 CE1 HIS A 4 -14.915 -18.432 -6.889 1.00 31.13 C ATOM 55 NE2 HIS A 4 -14.373 -18.039 -5.764 1.00 71.05 N ATOM 0 H HIS A 4 -16.816 -14.938 -8.099 1.00 71.13 H new ATOM 0 HA HIS A 4 -15.030 -13.783 -6.103 1.00 64.43 H new ATOM 0 HB2 HIS A 4 -14.519 -15.075 -8.806 1.00 64.20 H new ATOM 0 HB3 HIS A 4 -13.288 -14.609 -7.649 1.00 64.20 H new ATOM 0 HD2 HIS A 4 -13.599 -16.105 -5.089 1.00 1.11 H new ATOM 0 HE1 HIS A 4 -15.266 -19.430 -7.106 1.00 31.13 H new ATOM 0 HE2 HIS A 4 -14.212 -18.629 -4.948 1.00 71.05 H new ATOM 64 N HIS A 5 -13.922 -11.935 -7.713 1.00 75.32 N ATOM 65 CA HIS A 5 -13.635 -10.650 -8.389 1.00 45.22 C ATOM 66 C HIS A 5 -14.571 -9.536 -7.849 1.00 25.00 C ATOM 67 O HIS A 5 -14.550 -8.393 -8.311 1.00 70.20 O ATOM 68 CB HIS A 5 -13.774 -10.830 -9.944 1.00 20.34 C ATOM 69 CG HIS A 5 -13.601 -9.596 -10.788 1.00 73.52 C ATOM 70 ND1 HIS A 5 -12.496 -8.972 -11.228 1.00 34.24 N flip ATOM 71 CD2 HIS A 5 -14.666 -8.884 -11.302 1.00 44.14 C flip ATOM 72 CE1 HIS A 5 -12.900 -7.914 -11.990 1.00 22.13 C flip ATOM 73 NE2 HIS A 5 -14.214 -7.885 -12.017 1.00 54.50 N flip ATOM 0 H HIS A 5 -13.173 -12.262 -7.102 1.00 75.32 H new ATOM 0 HA HIS A 5 -12.611 -10.344 -8.175 1.00 45.22 H new ATOM 0 HB2 HIS A 5 -13.040 -11.568 -10.267 1.00 20.34 H new ATOM 0 HB3 HIS A 5 -14.759 -11.248 -10.151 1.00 20.34 H new ATOM 0 HD1 HIS A 5 -11.532 -9.240 -11.029 1.00 34.24 H new ATOM 0 HD2 HIS A 5 -15.708 -9.115 -11.140 1.00 44.14 H new ATOM 0 HE1 HIS A 5 -12.246 -7.214 -12.490 1.00 22.13 H new ATOM 82 N HIS A 6 -15.329 -9.860 -6.816 1.00 31.44 N ATOM 83 CA HIS A 6 -16.331 -8.959 -6.304 1.00 32.02 C ATOM 84 C HIS A 6 -15.726 -7.971 -5.315 1.00 31.10 C ATOM 85 O HIS A 6 -15.866 -8.099 -4.098 1.00 45.30 O ATOM 86 CB HIS A 6 -17.526 -9.732 -5.698 1.00 54.23 C ATOM 87 CG HIS A 6 -18.729 -8.888 -5.364 1.00 75.43 C ATOM 88 ND1 HIS A 6 -19.808 -8.772 -6.206 1.00 53.43 N ATOM 89 CD2 HIS A 6 -19.027 -8.137 -4.278 1.00 61.44 C ATOM 90 CE1 HIS A 6 -20.710 -7.990 -5.663 1.00 51.02 C ATOM 91 NE2 HIS A 6 -20.268 -7.588 -4.492 1.00 22.02 N ATOM 0 H HIS A 6 -15.264 -10.747 -6.317 1.00 31.44 H new ATOM 0 HA HIS A 6 -16.721 -8.379 -7.140 1.00 32.02 H new ATOM 0 HB2 HIS A 6 -17.830 -10.509 -6.400 1.00 54.23 H new ATOM 0 HB3 HIS A 6 -17.191 -10.235 -4.791 1.00 54.23 H new ATOM 0 HD2 HIS A 6 -18.405 -7.996 -3.406 1.00 61.44 H new ATOM 0 HE1 HIS A 6 -21.658 -7.721 -6.104 1.00 51.02 H new ATOM 0 HE2 HIS A 6 -20.764 -6.971 -3.849 1.00 22.02 H new ATOM 100 N HIS A 7 -14.981 -7.050 -5.852 1.00 54.45 N ATOM 101 CA HIS A 7 -14.371 -5.979 -5.097 1.00 53.42 C ATOM 102 C HIS A 7 -14.799 -4.698 -5.763 1.00 43.44 C ATOM 103 O HIS A 7 -14.224 -4.300 -6.769 1.00 71.34 O ATOM 104 CB HIS A 7 -12.816 -6.067 -5.098 1.00 13.34 C ATOM 105 CG HIS A 7 -12.190 -7.301 -4.467 1.00 42.43 C ATOM 106 ND1 HIS A 7 -10.860 -7.359 -4.110 1.00 61.44 N ATOM 107 CD2 HIS A 7 -12.695 -8.528 -4.177 1.00 55.55 C ATOM 108 CE1 HIS A 7 -10.580 -8.553 -3.639 1.00 54.11 C ATOM 109 NE2 HIS A 7 -11.673 -9.282 -3.668 1.00 21.53 N ATOM 0 H HIS A 7 -14.772 -7.016 -6.850 1.00 54.45 H new ATOM 0 HA HIS A 7 -14.686 -6.036 -4.055 1.00 53.42 H new ATOM 0 HB2 HIS A 7 -12.475 -6.006 -6.131 1.00 13.34 H new ATOM 0 HB3 HIS A 7 -12.427 -5.189 -4.581 1.00 13.34 H new ATOM 0 HD1 HIS A 7 -10.194 -6.591 -4.198 1.00 61.44 H new ATOM 0 HD2 HIS A 7 -13.716 -8.850 -4.322 1.00 55.55 H new ATOM 0 HE1 HIS A 7 -9.613 -8.881 -3.287 1.00 54.11 H new ATOM 118 N LEU A 8 -15.841 -4.097 -5.257 1.00 71.11 N ATOM 119 CA LEU A 8 -16.405 -2.926 -5.889 1.00 2.14 C ATOM 120 C LEU A 8 -16.047 -1.658 -5.160 1.00 24.40 C ATOM 121 O LEU A 8 -15.933 -1.651 -3.921 1.00 33.20 O ATOM 122 CB LEU A 8 -17.916 -3.076 -6.031 1.00 14.03 C ATOM 123 CG LEU A 8 -18.378 -4.253 -6.895 1.00 51.14 C ATOM 124 CD1 LEU A 8 -19.887 -4.348 -6.914 1.00 44.33 C ATOM 125 CD2 LEU A 8 -17.836 -4.122 -8.311 1.00 74.01 C ATOM 0 H LEU A 8 -16.320 -4.396 -4.408 1.00 71.11 H new ATOM 0 HA LEU A 8 -15.969 -2.846 -6.885 1.00 2.14 H new ATOM 0 HB2 LEU A 8 -18.349 -3.185 -5.037 1.00 14.03 H new ATOM 0 HB3 LEU A 8 -18.318 -2.156 -6.455 1.00 14.03 H new ATOM 0 HG LEU A 8 -17.984 -5.170 -6.456 1.00 51.14 H new ATOM 0 HD11 LEU A 8 -20.191 -5.191 -7.534 1.00 44.33 H new ATOM 0 HD12 LEU A 8 -20.255 -4.493 -5.898 1.00 44.33 H new ATOM 0 HD13 LEU A 8 -20.304 -3.428 -7.323 1.00 44.33 H new ATOM 0 HD21 LEU A 8 -18.175 -4.967 -8.910 1.00 74.01 H new ATOM 0 HD22 LEU A 8 -18.198 -3.195 -8.755 1.00 74.01 H new ATOM 0 HD23 LEU A 8 -16.746 -4.110 -8.284 1.00 74.01 H new ATOM 137 N GLU A 9 -15.878 -0.594 -5.950 1.00 43.30 N ATOM 138 CA GLU A 9 -15.481 0.733 -5.500 1.00 65.34 C ATOM 139 C GLU A 9 -14.126 0.693 -4.825 1.00 32.43 C ATOM 140 O GLU A 9 -14.004 0.451 -3.623 1.00 14.15 O ATOM 141 CB GLU A 9 -16.553 1.424 -4.641 1.00 74.31 C ATOM 142 CG GLU A 9 -16.191 2.847 -4.228 1.00 50.30 C ATOM 143 CD GLU A 9 -17.325 3.550 -3.538 1.00 25.55 C ATOM 144 OE1 GLU A 9 -18.237 4.032 -4.239 1.00 41.44 O ATOM 145 OE2 GLU A 9 -17.334 3.639 -2.290 1.00 54.04 O ATOM 0 H GLU A 9 -16.021 -0.641 -6.959 1.00 43.30 H new ATOM 0 HA GLU A 9 -15.385 1.357 -6.389 1.00 65.34 H new ATOM 0 HB2 GLU A 9 -17.491 1.445 -5.195 1.00 74.31 H new ATOM 0 HB3 GLU A 9 -16.726 0.829 -3.744 1.00 74.31 H new ATOM 0 HG2 GLU A 9 -15.326 2.821 -3.565 1.00 50.30 H new ATOM 0 HG3 GLU A 9 -15.899 3.415 -5.111 1.00 50.30 H new ATOM 152 N LEU A 10 -13.109 0.887 -5.614 1.00 71.25 N ATOM 153 CA LEU A 10 -11.759 0.799 -5.148 1.00 41.52 C ATOM 154 C LEU A 10 -10.975 1.995 -5.629 1.00 53.11 C ATOM 155 O LEU A 10 -11.045 2.356 -6.816 1.00 22.23 O ATOM 156 CB LEU A 10 -11.091 -0.476 -5.679 1.00 45.01 C ATOM 157 CG LEU A 10 -11.728 -1.824 -5.324 1.00 14.42 C ATOM 158 CD1 LEU A 10 -10.960 -2.949 -5.999 1.00 11.31 C ATOM 159 CD2 LEU A 10 -11.746 -2.035 -3.818 1.00 32.11 C ATOM 0 H LEU A 10 -13.196 1.112 -6.605 1.00 71.25 H new ATOM 0 HA LEU A 10 -11.772 0.774 -4.058 1.00 41.52 H new ATOM 0 HB2 LEU A 10 -11.048 -0.403 -6.766 1.00 45.01 H new ATOM 0 HB3 LEU A 10 -10.062 -0.488 -5.320 1.00 45.01 H new ATOM 0 HG LEU A 10 -12.758 -1.825 -5.681 1.00 14.42 H new ATOM 0 HD11 LEU A 10 -11.416 -3.905 -5.744 1.00 11.31 H new ATOM 0 HD12 LEU A 10 -10.987 -2.811 -7.080 1.00 11.31 H new ATOM 0 HD13 LEU A 10 -9.925 -2.939 -5.658 1.00 11.31 H new ATOM 0 HD21 LEU A 10 -12.203 -2.998 -3.591 1.00 32.11 H new ATOM 0 HD22 LEU A 10 -10.725 -2.018 -3.436 1.00 32.11 H new ATOM 0 HD23 LEU A 10 -12.323 -1.240 -3.346 1.00 32.11 H new ATOM 171 N GLU A 11 -10.258 2.607 -4.730 1.00 21.01 N ATOM 172 CA GLU A 11 -9.386 3.733 -5.035 1.00 34.53 C ATOM 173 C GLU A 11 -8.123 3.584 -4.229 1.00 3.20 C ATOM 174 O GLU A 11 -8.164 3.607 -3.009 1.00 20.11 O ATOM 175 CB GLU A 11 -10.041 5.076 -4.699 1.00 22.43 C ATOM 176 CG GLU A 11 -11.260 5.444 -5.520 1.00 61.15 C ATOM 177 CD GLU A 11 -11.827 6.788 -5.116 1.00 44.21 C ATOM 178 OE1 GLU A 11 -11.115 7.813 -5.252 1.00 0.04 O ATOM 179 OE2 GLU A 11 -12.999 6.849 -4.682 1.00 63.11 O ATOM 0 H GLU A 11 -10.255 2.342 -3.745 1.00 21.01 H new ATOM 0 HA GLU A 11 -9.178 3.728 -6.105 1.00 34.53 H new ATOM 0 HB2 GLU A 11 -10.326 5.066 -3.647 1.00 22.43 H new ATOM 0 HB3 GLU A 11 -9.295 5.862 -4.820 1.00 22.43 H new ATOM 0 HG2 GLU A 11 -10.993 5.465 -6.577 1.00 61.15 H new ATOM 0 HG3 GLU A 11 -12.024 4.676 -5.399 1.00 61.15 H new ATOM 186 N VAL A 12 -7.023 3.418 -4.876 1.00 65.35 N ATOM 187 CA VAL A 12 -5.782 3.189 -4.175 1.00 54.12 C ATOM 188 C VAL A 12 -4.720 4.153 -4.680 1.00 74.12 C ATOM 189 O VAL A 12 -4.431 4.197 -5.876 1.00 72.15 O ATOM 190 CB VAL A 12 -5.300 1.722 -4.367 1.00 74.44 C ATOM 191 CG1 VAL A 12 -4.064 1.437 -3.559 1.00 72.25 C ATOM 192 CG2 VAL A 12 -6.396 0.733 -4.007 1.00 65.24 C ATOM 0 H VAL A 12 -6.944 3.434 -5.893 1.00 65.35 H new ATOM 0 HA VAL A 12 -5.950 3.359 -3.111 1.00 54.12 H new ATOM 0 HB VAL A 12 -5.054 1.602 -5.422 1.00 74.44 H new ATOM 0 HG11 VAL A 12 -3.756 0.404 -3.718 1.00 72.25 H new ATOM 0 HG12 VAL A 12 -3.263 2.107 -3.871 1.00 72.25 H new ATOM 0 HG13 VAL A 12 -4.276 1.594 -2.501 1.00 72.25 H new ATOM 0 HG21 VAL A 12 -6.030 -0.284 -4.151 1.00 65.24 H new ATOM 0 HG22 VAL A 12 -6.683 0.871 -2.965 1.00 65.24 H new ATOM 0 HG23 VAL A 12 -7.262 0.901 -4.647 1.00 65.24 H new ATOM 202 N HIS A 13 -4.151 4.941 -3.784 1.00 45.54 N ATOM 203 CA HIS A 13 -3.122 5.896 -4.178 1.00 33.40 C ATOM 204 C HIS A 13 -2.184 6.146 -3.021 1.00 32.25 C ATOM 205 O HIS A 13 -2.554 5.919 -1.860 1.00 2.33 O ATOM 206 CB HIS A 13 -3.741 7.243 -4.653 1.00 53.51 C ATOM 207 CG HIS A 13 -4.379 8.084 -3.565 1.00 0.41 C ATOM 208 ND1 HIS A 13 -4.129 9.427 -3.416 1.00 12.42 N ATOM 209 CD2 HIS A 13 -5.255 7.765 -2.584 1.00 53.34 C ATOM 210 CE1 HIS A 13 -4.813 9.888 -2.394 1.00 22.12 C ATOM 211 NE2 HIS A 13 -5.505 8.906 -1.870 1.00 75.31 N ATOM 0 H HIS A 13 -4.378 4.942 -2.790 1.00 45.54 H new ATOM 0 HA HIS A 13 -2.570 5.466 -5.014 1.00 33.40 H new ATOM 0 HB2 HIS A 13 -2.961 7.833 -5.134 1.00 53.51 H new ATOM 0 HB3 HIS A 13 -4.493 7.030 -5.412 1.00 53.51 H new ATOM 0 HD2 HIS A 13 -5.679 6.789 -2.398 1.00 53.34 H new ATOM 0 HE1 HIS A 13 -4.806 10.909 -2.043 1.00 22.12 H new ATOM 0 HE2 HIS A 13 -6.126 8.980 -1.064 1.00 75.31 H new ATOM 220 N ILE A 14 -0.997 6.601 -3.319 1.00 55.10 N ATOM 221 CA ILE A 14 -0.042 6.943 -2.294 1.00 0.10 C ATOM 222 C ILE A 14 0.084 8.478 -2.226 1.00 53.12 C ATOM 223 O ILE A 14 0.756 9.090 -3.067 1.00 64.31 O ATOM 224 CB ILE A 14 1.346 6.320 -2.585 1.00 65.53 C ATOM 225 CG1 ILE A 14 1.202 4.805 -2.844 1.00 45.01 C ATOM 226 CG2 ILE A 14 2.293 6.580 -1.417 1.00 11.25 C ATOM 227 CD1 ILE A 14 2.515 4.077 -3.093 1.00 4.55 C ATOM 0 H ILE A 14 -0.664 6.745 -4.272 1.00 55.10 H new ATOM 0 HA ILE A 14 -0.394 6.546 -1.342 1.00 0.10 H new ATOM 0 HB ILE A 14 1.765 6.785 -3.478 1.00 65.53 H new ATOM 0 HG12 ILE A 14 0.706 4.349 -1.987 1.00 45.01 H new ATOM 0 HG13 ILE A 14 0.551 4.657 -3.706 1.00 45.01 H new ATOM 0 HG21 ILE A 14 3.266 6.138 -1.632 1.00 11.25 H new ATOM 0 HG22 ILE A 14 2.407 7.654 -1.273 1.00 11.25 H new ATOM 0 HG23 ILE A 14 1.884 6.134 -0.511 1.00 11.25 H new ATOM 0 HD11 ILE A 14 2.317 3.019 -3.265 1.00 4.55 H new ATOM 0 HD12 ILE A 14 3.006 4.502 -3.969 1.00 4.55 H new ATOM 0 HD13 ILE A 14 3.163 4.188 -2.224 1.00 4.55 H new ATOM 239 N PRO A 15 -0.608 9.131 -1.271 1.00 1.00 N ATOM 240 CA PRO A 15 -0.598 10.593 -1.158 1.00 74.22 C ATOM 241 C PRO A 15 0.724 11.205 -0.643 1.00 43.22 C ATOM 242 O PRO A 15 1.082 12.311 -1.049 1.00 13.31 O ATOM 243 CB PRO A 15 -1.735 10.879 -0.170 1.00 0.23 C ATOM 244 CG PRO A 15 -1.854 9.641 0.646 1.00 52.11 C ATOM 245 CD PRO A 15 -1.496 8.507 -0.264 1.00 51.25 C ATOM 0 HA PRO A 15 -0.715 11.046 -2.142 1.00 74.22 H new ATOM 0 HB2 PRO A 15 -1.508 11.743 0.454 1.00 0.23 H new ATOM 0 HB3 PRO A 15 -2.666 11.099 -0.692 1.00 0.23 H new ATOM 0 HG2 PRO A 15 -1.186 9.676 1.506 1.00 52.11 H new ATOM 0 HG3 PRO A 15 -2.866 9.525 1.033 1.00 52.11 H new ATOM 0 HD2 PRO A 15 -0.990 7.706 0.275 1.00 51.25 H new ATOM 0 HD3 PRO A 15 -2.381 8.070 -0.727 1.00 51.25 H new ATOM 253 N SER A 16 1.451 10.490 0.209 1.00 14.33 N ATOM 254 CA SER A 16 2.667 11.046 0.799 1.00 2.24 C ATOM 255 C SER A 16 3.709 9.944 1.040 1.00 43.11 C ATOM 256 O SER A 16 3.348 8.788 1.309 1.00 1.34 O ATOM 257 CB SER A 16 2.326 11.715 2.146 1.00 33.53 C ATOM 258 OG SER A 16 1.274 12.674 2.016 1.00 41.14 O ATOM 0 H SER A 16 1.226 9.540 0.504 1.00 14.33 H new ATOM 0 HA SER A 16 3.081 11.780 0.107 1.00 2.24 H new ATOM 0 HB2 SER A 16 2.033 10.951 2.866 1.00 33.53 H new ATOM 0 HB3 SER A 16 3.215 12.204 2.543 1.00 33.53 H new ATOM 0 HG SER A 16 1.086 13.074 2.891 1.00 41.14 H new ATOM 264 N VAL A 17 4.992 10.300 0.933 1.00 70.43 N ATOM 265 CA VAL A 17 6.100 9.374 1.215 1.00 21.11 C ATOM 266 C VAL A 17 7.222 10.159 1.885 1.00 14.34 C ATOM 267 O VAL A 17 7.359 11.370 1.643 1.00 11.51 O ATOM 268 CB VAL A 17 6.719 8.727 -0.077 1.00 1.32 C ATOM 269 CG1 VAL A 17 7.707 7.612 0.274 1.00 55.14 C ATOM 270 CG2 VAL A 17 5.674 8.247 -1.061 1.00 62.55 C ATOM 0 H VAL A 17 5.294 11.232 0.650 1.00 70.43 H new ATOM 0 HA VAL A 17 5.691 8.579 1.838 1.00 21.11 H new ATOM 0 HB VAL A 17 7.269 9.522 -0.580 1.00 1.32 H new ATOM 0 HG11 VAL A 17 8.116 7.187 -0.642 1.00 55.14 H new ATOM 0 HG12 VAL A 17 8.517 8.021 0.878 1.00 55.14 H new ATOM 0 HG13 VAL A 17 7.192 6.834 0.837 1.00 55.14 H new ATOM 0 HG21 VAL A 17 6.166 7.811 -1.930 1.00 62.55 H new ATOM 0 HG22 VAL A 17 5.044 7.495 -0.585 1.00 62.55 H new ATOM 0 HG23 VAL A 17 5.058 9.089 -1.377 1.00 62.55 H new ATOM 280 N GLY A 18 7.997 9.504 2.719 1.00 74.41 N ATOM 281 CA GLY A 18 9.161 10.125 3.294 1.00 34.42 C ATOM 282 C GLY A 18 10.148 9.104 3.813 1.00 35.10 C ATOM 283 O GLY A 18 9.777 7.953 4.076 1.00 50.03 O ATOM 0 H GLY A 18 7.839 8.540 3.013 1.00 74.41 H new ATOM 0 HA2 GLY A 18 9.646 10.750 2.545 1.00 34.42 H new ATOM 0 HA3 GLY A 18 8.857 10.782 4.109 1.00 34.42 H new ATOM 287 N PRO A 19 11.422 9.474 3.947 1.00 44.15 N ATOM 288 CA PRO A 19 12.452 8.615 4.567 1.00 73.15 C ATOM 289 C PRO A 19 12.328 8.694 6.102 1.00 30.11 C ATOM 290 O PRO A 19 13.303 8.893 6.828 1.00 41.25 O ATOM 291 CB PRO A 19 13.744 9.278 4.110 1.00 62.13 C ATOM 292 CG PRO A 19 13.406 10.721 3.959 1.00 62.13 C ATOM 293 CD PRO A 19 11.987 10.764 3.485 1.00 72.01 C ATOM 0 HA PRO A 19 12.382 7.562 4.295 1.00 73.15 H new ATOM 0 HB2 PRO A 19 14.541 9.134 4.840 1.00 62.13 H new ATOM 0 HB3 PRO A 19 14.093 8.854 3.169 1.00 62.13 H new ATOM 0 HG2 PRO A 19 13.517 11.249 4.906 1.00 62.13 H new ATOM 0 HG3 PRO A 19 14.071 11.205 3.244 1.00 62.13 H new ATOM 0 HD2 PRO A 19 11.449 11.612 3.909 1.00 72.01 H new ATOM 0 HD3 PRO A 19 11.930 10.861 2.401 1.00 72.01 H new ATOM 301 N GLU A 20 11.130 8.465 6.560 1.00 12.54 N ATOM 302 CA GLU A 20 10.743 8.634 7.936 1.00 4.10 C ATOM 303 C GLU A 20 10.890 7.330 8.735 1.00 52.30 C ATOM 304 O GLU A 20 10.720 7.313 9.955 1.00 0.13 O ATOM 305 CB GLU A 20 9.295 9.164 7.953 1.00 43.33 C ATOM 306 CG GLU A 20 8.663 9.373 9.302 1.00 50.30 C ATOM 307 CD GLU A 20 7.279 9.934 9.187 1.00 10.14 C ATOM 308 OE1 GLU A 20 7.135 11.129 8.886 1.00 14.04 O ATOM 309 OE2 GLU A 20 6.305 9.180 9.376 1.00 11.25 O ATOM 0 H GLU A 20 10.366 8.144 5.965 1.00 12.54 H new ATOM 0 HA GLU A 20 11.404 9.350 8.425 1.00 4.10 H new ATOM 0 HB2 GLU A 20 9.275 10.114 7.418 1.00 43.33 H new ATOM 0 HB3 GLU A 20 8.672 8.468 7.391 1.00 43.33 H new ATOM 0 HG2 GLU A 20 8.627 8.424 9.838 1.00 50.30 H new ATOM 0 HG3 GLU A 20 9.281 10.049 9.892 1.00 50.30 H new ATOM 316 N ALA A 21 11.231 6.258 8.076 1.00 12.31 N ATOM 317 CA ALA A 21 11.393 5.006 8.770 1.00 45.25 C ATOM 318 C ALA A 21 12.828 4.854 9.230 1.00 40.54 C ATOM 319 O ALA A 21 13.769 5.105 8.467 1.00 62.45 O ATOM 320 CB ALA A 21 10.967 3.831 7.900 1.00 73.24 C ATOM 0 H ALA A 21 11.401 6.222 7.071 1.00 12.31 H new ATOM 0 HA ALA A 21 10.744 5.009 9.646 1.00 45.25 H new ATOM 0 HB1 ALA A 21 11.102 2.901 8.453 1.00 73.24 H new ATOM 0 HB2 ALA A 21 9.918 3.942 7.627 1.00 73.24 H new ATOM 0 HB3 ALA A 21 11.576 3.807 6.997 1.00 73.24 H new ATOM 326 N GLU A 22 12.994 4.474 10.469 1.00 62.32 N ATOM 327 CA GLU A 22 14.307 4.256 11.050 1.00 4.12 C ATOM 328 C GLU A 22 14.804 2.901 10.601 1.00 30.25 C ATOM 329 O GLU A 22 14.074 2.181 9.922 1.00 42.25 O ATOM 330 CB GLU A 22 14.238 4.277 12.593 1.00 23.11 C ATOM 331 CG GLU A 22 13.392 3.152 13.183 1.00 34.23 C ATOM 332 CD GLU A 22 13.371 3.140 14.685 1.00 12.24 C ATOM 333 OE1 GLU A 22 14.247 2.478 15.301 1.00 75.40 O ATOM 334 OE2 GLU A 22 12.488 3.782 15.281 1.00 24.33 O ATOM 0 H GLU A 22 12.222 4.304 11.114 1.00 62.32 H new ATOM 0 HA GLU A 22 14.979 5.050 10.723 1.00 4.12 H new ATOM 0 HB2 GLU A 22 15.249 4.209 12.994 1.00 23.11 H new ATOM 0 HB3 GLU A 22 13.831 5.235 12.917 1.00 23.11 H new ATOM 0 HG2 GLU A 22 12.370 3.245 12.814 1.00 34.23 H new ATOM 0 HG3 GLU A 22 13.774 2.196 12.826 1.00 34.23 H new ATOM 341 N GLY A 23 16.050 2.587 10.906 1.00 53.35 N ATOM 342 CA GLY A 23 16.535 1.239 10.687 1.00 72.30 C ATOM 343 C GLY A 23 15.759 0.317 11.600 1.00 73.20 C ATOM 344 O GLY A 23 15.997 0.304 12.799 1.00 23.21 O ATOM 0 H GLY A 23 16.733 3.235 11.299 1.00 53.35 H new ATOM 0 HA2 GLY A 23 16.400 0.948 9.645 1.00 72.30 H new ATOM 0 HA3 GLY A 23 17.602 1.177 10.899 1.00 72.30 H new ATOM 348 N PRO A 24 14.826 -0.449 11.065 1.00 0.23 N ATOM 349 CA PRO A 24 13.874 -1.196 11.869 1.00 32.12 C ATOM 350 C PRO A 24 14.418 -2.530 12.357 1.00 44.52 C ATOM 351 O PRO A 24 15.644 -2.752 12.392 1.00 61.03 O ATOM 352 CB PRO A 24 12.741 -1.396 10.872 1.00 64.30 C ATOM 353 CG PRO A 24 13.437 -1.601 9.573 1.00 22.44 C ATOM 354 CD PRO A 24 14.618 -0.682 9.609 1.00 0.44 C ATOM 0 HA PRO A 24 13.595 -0.683 12.790 1.00 32.12 H new ATOM 0 HB2 PRO A 24 12.125 -2.256 11.135 1.00 64.30 H new ATOM 0 HB3 PRO A 24 12.081 -0.529 10.839 1.00 64.30 H new ATOM 0 HG2 PRO A 24 13.749 -2.638 9.453 1.00 22.44 H new ATOM 0 HG3 PRO A 24 12.782 -1.367 8.734 1.00 22.44 H new ATOM 0 HD2 PRO A 24 15.494 -1.135 9.145 1.00 0.44 H new ATOM 0 HD3 PRO A 24 14.420 0.248 9.077 1.00 0.44 H new ATOM 362 N ARG A 25 13.509 -3.407 12.766 1.00 32.43 N ATOM 363 CA ARG A 25 13.861 -4.747 13.191 1.00 12.32 C ATOM 364 C ARG A 25 14.438 -5.486 11.993 1.00 13.11 C ATOM 365 O ARG A 25 14.243 -5.036 10.848 1.00 34.31 O ATOM 366 CB ARG A 25 12.608 -5.463 13.745 1.00 72.40 C ATOM 367 CG ARG A 25 12.844 -6.851 14.311 1.00 44.33 C ATOM 368 CD ARG A 25 11.577 -7.414 14.923 1.00 33.41 C ATOM 369 NE ARG A 25 11.803 -8.728 15.530 1.00 74.52 N ATOM 370 CZ ARG A 25 11.335 -9.110 16.723 1.00 74.41 C ATOM 371 NH1 ARG A 25 10.619 -8.275 17.469 1.00 51.03 N ATOM 372 NH2 ARG A 25 11.592 -10.327 17.172 1.00 11.03 N ATOM 0 H ARG A 25 12.510 -3.205 12.811 1.00 32.43 H new ATOM 0 HA ARG A 25 14.604 -4.720 13.988 1.00 12.32 H new ATOM 0 HB2 ARG A 25 12.171 -4.841 14.526 1.00 72.40 H new ATOM 0 HB3 ARG A 25 11.870 -5.536 12.946 1.00 72.40 H new ATOM 0 HG2 ARG A 25 13.196 -7.514 13.521 1.00 44.33 H new ATOM 0 HG3 ARG A 25 13.629 -6.810 15.066 1.00 44.33 H new ATOM 0 HD2 ARG A 25 11.201 -6.724 15.679 1.00 33.41 H new ATOM 0 HD3 ARG A 25 10.808 -7.496 14.155 1.00 33.41 H new ATOM 0 HE ARG A 25 12.359 -9.402 15.003 1.00 74.52 H new ATOM 0 HH11 ARG A 25 10.422 -7.332 17.133 1.00 51.03 H new ATOM 0 HH12 ARG A 25 10.267 -8.577 18.377 1.00 51.03 H new ATOM 0 HH21 ARG A 25 12.146 -10.972 16.609 1.00 11.03 H new ATOM 0 HH22 ARG A 25 11.236 -10.621 18.082 1.00 11.03 H new ATOM 386 N GLN A 26 15.139 -6.591 12.244 1.00 50.44 N ATOM 387 CA GLN A 26 15.807 -7.361 11.201 1.00 60.21 C ATOM 388 C GLN A 26 14.835 -7.623 10.049 1.00 1.02 C ATOM 389 O GLN A 26 13.839 -8.335 10.200 1.00 43.43 O ATOM 390 CB GLN A 26 16.354 -8.689 11.809 1.00 31.34 C ATOM 391 CG GLN A 26 17.378 -9.459 10.949 1.00 40.43 C ATOM 392 CD GLN A 26 16.840 -10.071 9.660 1.00 5.21 C ATOM 393 OE1 GLN A 26 15.681 -10.475 9.564 1.00 45.12 O ATOM 394 NE2 GLN A 26 17.675 -10.125 8.667 1.00 70.34 N ATOM 0 H GLN A 26 15.259 -6.977 13.181 1.00 50.44 H new ATOM 0 HA GLN A 26 16.651 -6.799 10.801 1.00 60.21 H new ATOM 0 HB2 GLN A 26 16.815 -8.462 12.770 1.00 31.34 H new ATOM 0 HB3 GLN A 26 15.509 -9.348 12.009 1.00 31.34 H new ATOM 0 HG2 GLN A 26 18.192 -8.781 10.694 1.00 40.43 H new ATOM 0 HG3 GLN A 26 17.806 -10.257 11.556 1.00 40.43 H new ATOM 0 HE21 GLN A 26 18.628 -9.781 8.783 1.00 70.34 H new ATOM 0 HE22 GLN A 26 17.378 -10.512 7.771 1.00 70.34 H new ATOM 403 N SER A 27 15.067 -6.930 8.960 1.00 54.35 N ATOM 404 CA SER A 27 14.310 -7.083 7.757 1.00 12.11 C ATOM 405 C SER A 27 15.274 -7.496 6.645 1.00 75.45 C ATOM 406 O SER A 27 16.322 -6.867 6.493 1.00 74.55 O ATOM 407 CB SER A 27 13.642 -5.749 7.400 1.00 42.43 C ATOM 408 OG SER A 27 12.872 -5.247 8.487 1.00 54.21 O ATOM 0 H SER A 27 15.806 -6.230 8.892 1.00 54.35 H new ATOM 0 HA SER A 27 13.535 -7.839 7.884 1.00 12.11 H new ATOM 0 HB2 SER A 27 14.405 -5.020 7.125 1.00 42.43 H new ATOM 0 HB3 SER A 27 13.001 -5.883 6.529 1.00 42.43 H new ATOM 0 HG SER A 27 13.453 -5.113 9.265 1.00 54.21 H new ATOM 414 N PRO A 28 14.979 -8.555 5.880 1.00 14.24 N ATOM 415 CA PRO A 28 15.827 -8.966 4.753 1.00 34.54 C ATOM 416 C PRO A 28 15.892 -7.883 3.670 1.00 61.22 C ATOM 417 O PRO A 28 16.938 -7.668 3.042 1.00 50.52 O ATOM 418 CB PRO A 28 15.123 -10.215 4.206 1.00 73.30 C ATOM 419 CG PRO A 28 14.278 -10.694 5.333 1.00 3.32 C ATOM 420 CD PRO A 28 13.840 -9.464 6.066 1.00 64.34 C ATOM 0 HA PRO A 28 16.858 -9.145 5.060 1.00 34.54 H new ATOM 0 HB2 PRO A 28 14.519 -9.978 3.330 1.00 73.30 H new ATOM 0 HB3 PRO A 28 15.843 -10.974 3.900 1.00 73.30 H new ATOM 0 HG2 PRO A 28 13.420 -11.257 4.966 1.00 3.32 H new ATOM 0 HG3 PRO A 28 14.840 -11.360 5.988 1.00 3.32 H new ATOM 0 HD2 PRO A 28 12.920 -9.051 5.651 1.00 64.34 H new ATOM 0 HD3 PRO A 28 13.651 -9.666 7.120 1.00 64.34 H new ATOM 428 N GLU A 29 14.779 -7.199 3.466 1.00 11.30 N ATOM 429 CA GLU A 29 14.697 -6.160 2.454 1.00 22.04 C ATOM 430 C GLU A 29 15.281 -4.853 2.977 1.00 35.12 C ATOM 431 O GLU A 29 16.175 -4.287 2.361 1.00 3.04 O ATOM 432 CB GLU A 29 13.250 -5.926 2.053 1.00 71.40 C ATOM 433 CG GLU A 29 12.518 -7.158 1.568 1.00 42.42 C ATOM 434 CD GLU A 29 13.120 -7.758 0.329 1.00 41.01 C ATOM 435 OE1 GLU A 29 12.824 -7.272 -0.774 1.00 63.43 O ATOM 436 OE2 GLU A 29 13.878 -8.746 0.436 1.00 53.22 O ATOM 0 H GLU A 29 13.916 -7.346 3.990 1.00 11.30 H new ATOM 0 HA GLU A 29 15.269 -6.491 1.587 1.00 22.04 H new ATOM 0 HB2 GLU A 29 12.713 -5.515 2.908 1.00 71.40 H new ATOM 0 HB3 GLU A 29 13.223 -5.172 1.267 1.00 71.40 H new ATOM 0 HG2 GLU A 29 12.515 -7.906 2.361 1.00 42.42 H new ATOM 0 HG3 GLU A 29 11.478 -6.900 1.370 1.00 42.42 H new ATOM 443 N LYS A 30 14.761 -4.406 4.140 1.00 4.14 N ATOM 444 CA LYS A 30 15.131 -3.127 4.793 1.00 21.02 C ATOM 445 C LYS A 30 14.559 -1.937 4.062 1.00 34.15 C ATOM 446 O LYS A 30 14.679 -1.821 2.847 1.00 12.31 O ATOM 447 CB LYS A 30 16.632 -2.945 4.989 1.00 64.34 C ATOM 448 CG LYS A 30 17.257 -3.955 5.911 1.00 35.20 C ATOM 449 CD LYS A 30 18.719 -3.690 6.055 1.00 34.14 C ATOM 450 CE LYS A 30 19.390 -4.730 6.932 1.00 34.12 C ATOM 451 NZ LYS A 30 20.838 -4.472 7.087 1.00 73.51 N ATOM 0 H LYS A 30 14.060 -4.931 4.662 1.00 4.14 H new ATOM 0 HA LYS A 30 14.687 -3.184 5.787 1.00 21.02 H new ATOM 0 HB2 LYS A 30 17.124 -3.002 4.018 1.00 64.34 H new ATOM 0 HB3 LYS A 30 16.818 -1.946 5.383 1.00 64.34 H new ATOM 0 HG2 LYS A 30 16.775 -3.913 6.888 1.00 35.20 H new ATOM 0 HG3 LYS A 30 17.099 -4.960 5.521 1.00 35.20 H new ATOM 0 HD2 LYS A 30 19.187 -3.686 5.071 1.00 34.14 H new ATOM 0 HD3 LYS A 30 18.870 -2.699 6.484 1.00 34.14 H new ATOM 0 HE2 LYS A 30 18.916 -4.737 7.913 1.00 34.12 H new ATOM 0 HE3 LYS A 30 19.242 -5.719 6.499 1.00 34.12 H new ATOM 0 HZ1 LYS A 30 21.258 -5.205 7.693 1.00 73.51 H new ATOM 0 HZ2 LYS A 30 21.296 -4.490 6.153 1.00 73.51 H new ATOM 0 HZ3 LYS A 30 20.980 -3.539 7.524 1.00 73.51 H new ATOM 465 N SER A 31 13.928 -1.064 4.790 1.00 43.00 N ATOM 466 CA SER A 31 13.354 0.090 4.199 1.00 62.33 C ATOM 467 C SER A 31 13.340 1.235 5.190 1.00 21.01 C ATOM 468 O SER A 31 12.736 1.139 6.250 1.00 34.22 O ATOM 469 CB SER A 31 11.934 -0.228 3.712 1.00 33.23 C ATOM 470 OG SER A 31 11.321 0.881 3.050 1.00 1.14 O ATOM 0 H SER A 31 13.802 -1.137 5.799 1.00 43.00 H new ATOM 0 HA SER A 31 13.956 0.391 3.342 1.00 62.33 H new ATOM 0 HB2 SER A 31 11.969 -1.079 3.032 1.00 33.23 H new ATOM 0 HB3 SER A 31 11.320 -0.524 4.562 1.00 33.23 H new ATOM 0 HG SER A 31 10.828 1.420 3.703 1.00 1.14 H new ATOM 476 N HIS A 32 14.041 2.299 4.853 1.00 20.03 N ATOM 477 CA HIS A 32 14.000 3.539 5.651 1.00 10.14 C ATOM 478 C HIS A 32 12.954 4.439 5.035 1.00 65.34 C ATOM 479 O HIS A 32 12.666 5.537 5.508 1.00 13.22 O ATOM 480 CB HIS A 32 15.360 4.260 5.645 1.00 52.00 C ATOM 481 CG HIS A 32 16.476 3.503 6.296 1.00 11.11 C ATOM 482 ND1 HIS A 32 17.045 3.884 7.482 1.00 23.21 N ATOM 483 CD2 HIS A 32 17.143 2.387 5.907 1.00 75.03 C ATOM 484 CE1 HIS A 32 18.006 3.045 7.800 1.00 64.54 C ATOM 485 NE2 HIS A 32 18.087 2.126 6.863 1.00 73.53 N ATOM 0 H HIS A 32 14.649 2.344 4.036 1.00 20.03 H new ATOM 0 HA HIS A 32 13.762 3.296 6.687 1.00 10.14 H new ATOM 0 HB2 HIS A 32 15.638 4.473 4.613 1.00 52.00 H new ATOM 0 HB3 HIS A 32 15.249 5.220 6.149 1.00 52.00 H new ATOM 0 HD2 HIS A 32 16.963 1.812 5.011 1.00 75.03 H new ATOM 0 HE1 HIS A 32 18.625 3.101 8.683 1.00 64.54 H new ATOM 0 HE2 HIS A 32 18.745 1.347 6.851 1.00 73.53 H new ATOM 494 N MET A 33 12.380 3.930 3.990 1.00 63.23 N ATOM 495 CA MET A 33 11.385 4.600 3.238 1.00 70.23 C ATOM 496 C MET A 33 10.034 4.215 3.771 1.00 30.42 C ATOM 497 O MET A 33 9.751 3.018 3.952 1.00 3.51 O ATOM 498 CB MET A 33 11.456 4.120 1.802 1.00 21.15 C ATOM 499 CG MET A 33 10.524 4.840 0.856 1.00 63.44 C ATOM 500 SD MET A 33 11.362 6.068 -0.138 1.00 44.50 S ATOM 501 CE MET A 33 12.005 7.187 1.059 1.00 13.45 C ATOM 0 H MET A 33 12.605 3.002 3.630 1.00 63.23 H new ATOM 0 HA MET A 33 11.539 5.677 3.301 1.00 70.23 H new ATOM 0 HB2 MET A 33 12.479 4.236 1.443 1.00 21.15 H new ATOM 0 HB3 MET A 33 11.228 3.054 1.776 1.00 21.15 H new ATOM 0 HG2 MET A 33 10.046 4.113 0.200 1.00 63.44 H new ATOM 0 HG3 MET A 33 9.732 5.322 1.429 1.00 63.44 H new ATOM 0 HE1 MET A 33 12.467 8.035 0.553 1.00 13.45 H new ATOM 0 HE2 MET A 33 11.196 7.542 1.697 1.00 13.45 H new ATOM 0 HE3 MET A 33 12.751 6.678 1.669 1.00 13.45 H new ATOM 511 N VAL A 34 9.216 5.181 4.027 1.00 61.35 N ATOM 512 CA VAL A 34 7.874 4.912 4.428 1.00 62.22 C ATOM 513 C VAL A 34 6.902 5.741 3.604 1.00 72.42 C ATOM 514 O VAL A 34 7.040 6.960 3.478 1.00 42.14 O ATOM 515 CB VAL A 34 7.633 5.115 5.957 1.00 21.23 C ATOM 516 CG1 VAL A 34 7.925 6.521 6.394 1.00 41.00 C ATOM 517 CG2 VAL A 34 6.224 4.766 6.321 1.00 4.40 C ATOM 0 H VAL A 34 9.455 6.171 3.965 1.00 61.35 H new ATOM 0 HA VAL A 34 7.694 3.854 4.237 1.00 62.22 H new ATOM 0 HB VAL A 34 8.322 4.448 6.475 1.00 21.23 H new ATOM 0 HG11 VAL A 34 7.743 6.614 7.465 1.00 41.00 H new ATOM 0 HG12 VAL A 34 8.967 6.759 6.181 1.00 41.00 H new ATOM 0 HG13 VAL A 34 7.277 7.212 5.854 1.00 41.00 H new ATOM 0 HG21 VAL A 34 6.077 4.914 7.391 1.00 4.40 H new ATOM 0 HG22 VAL A 34 5.536 5.406 5.768 1.00 4.40 H new ATOM 0 HG23 VAL A 34 6.031 3.723 6.070 1.00 4.40 H new ATOM 527 N PHE A 35 5.975 5.074 3.000 1.00 25.44 N ATOM 528 CA PHE A 35 4.942 5.722 2.249 1.00 72.34 C ATOM 529 C PHE A 35 3.583 5.494 2.867 1.00 3.42 C ATOM 530 O PHE A 35 3.309 4.431 3.417 1.00 61.24 O ATOM 531 CB PHE A 35 4.994 5.375 0.744 1.00 23.51 C ATOM 532 CG PHE A 35 5.193 3.933 0.410 1.00 45.12 C ATOM 533 CD1 PHE A 35 4.143 3.060 0.399 1.00 74.00 C ATOM 534 CD2 PHE A 35 6.456 3.464 0.101 1.00 35.02 C ATOM 535 CE1 PHE A 35 4.326 1.734 0.087 1.00 52.31 C ATOM 536 CE2 PHE A 35 6.653 2.147 -0.209 1.00 14.32 C ATOM 537 CZ PHE A 35 5.585 1.275 -0.219 1.00 33.43 C ATOM 0 H PHE A 35 5.909 4.056 3.012 1.00 25.44 H new ATOM 0 HA PHE A 35 5.130 6.794 2.301 1.00 72.34 H new ATOM 0 HB2 PHE A 35 4.065 5.709 0.282 1.00 23.51 H new ATOM 0 HB3 PHE A 35 5.801 5.948 0.287 1.00 23.51 H new ATOM 0 HD1 PHE A 35 3.153 3.417 0.639 1.00 74.00 H new ATOM 0 HD2 PHE A 35 7.295 4.144 0.104 1.00 35.02 H new ATOM 0 HE1 PHE A 35 3.485 1.056 0.082 1.00 52.31 H new ATOM 0 HE2 PHE A 35 7.644 1.790 -0.446 1.00 14.32 H new ATOM 0 HZ PHE A 35 5.737 0.235 -0.466 1.00 33.43 H new ATOM 547 N ARG A 36 2.759 6.504 2.812 1.00 35.25 N ATOM 548 CA ARG A 36 1.437 6.464 3.394 1.00 22.34 C ATOM 549 C ARG A 36 0.500 6.043 2.281 1.00 25.24 C ATOM 550 O ARG A 36 0.328 6.786 1.325 1.00 61.53 O ATOM 551 CB ARG A 36 1.034 7.890 3.845 1.00 53.22 C ATOM 552 CG ARG A 36 2.123 8.672 4.592 1.00 62.33 C ATOM 553 CD ARG A 36 2.546 8.030 5.897 1.00 31.24 C ATOM 554 NE ARG A 36 1.474 8.036 6.910 1.00 51.35 N ATOM 555 CZ ARG A 36 1.682 7.984 8.237 1.00 31.31 C ATOM 556 NH1 ARG A 36 2.920 7.972 8.720 1.00 75.15 N ATOM 557 NH2 ARG A 36 0.661 7.971 9.071 1.00 50.12 N ATOM 0 H ARG A 36 2.985 7.389 2.358 1.00 35.25 H new ATOM 0 HA ARG A 36 1.401 5.788 4.248 1.00 22.34 H new ATOM 0 HB2 ARG A 36 0.737 8.462 2.966 1.00 53.22 H new ATOM 0 HB3 ARG A 36 0.157 7.816 4.488 1.00 53.22 H new ATOM 0 HG2 ARG A 36 2.995 8.770 3.946 1.00 62.33 H new ATOM 0 HG3 ARG A 36 1.761 9.680 4.794 1.00 62.33 H new ATOM 0 HD2 ARG A 36 2.855 7.002 5.708 1.00 31.24 H new ATOM 0 HD3 ARG A 36 3.415 8.557 6.291 1.00 31.24 H new ATOM 0 HE ARG A 36 0.510 8.083 6.581 1.00 51.35 H new ATOM 0 HH11 ARG A 36 3.716 8.002 8.083 1.00 75.15 H new ATOM 0 HH12 ARG A 36 3.074 7.933 9.728 1.00 75.15 H new ATOM 0 HH21 ARG A 36 -0.293 8.000 8.710 1.00 50.12 H new ATOM 0 HH22 ARG A 36 0.825 7.931 10.077 1.00 50.12 H new ATOM 571 N VAL A 37 -0.055 4.870 2.361 1.00 55.20 N ATOM 572 CA VAL A 37 -0.928 4.404 1.297 1.00 34.33 C ATOM 573 C VAL A 37 -2.386 4.488 1.682 1.00 40.45 C ATOM 574 O VAL A 37 -2.748 4.238 2.831 1.00 53.12 O ATOM 575 CB VAL A 37 -0.605 2.941 0.852 1.00 32.33 C ATOM 576 CG1 VAL A 37 0.819 2.840 0.409 1.00 31.41 C ATOM 577 CG2 VAL A 37 -0.876 1.930 1.965 1.00 12.21 C ATOM 0 H VAL A 37 0.071 4.218 3.135 1.00 55.20 H new ATOM 0 HA VAL A 37 -0.739 5.073 0.457 1.00 34.33 H new ATOM 0 HB VAL A 37 -1.266 2.701 0.019 1.00 32.33 H new ATOM 0 HG11 VAL A 37 1.033 1.816 0.101 1.00 31.41 H new ATOM 0 HG12 VAL A 37 0.987 3.514 -0.431 1.00 31.41 H new ATOM 0 HG13 VAL A 37 1.477 3.116 1.233 1.00 31.41 H new ATOM 0 HG21 VAL A 37 -0.638 0.927 1.611 1.00 12.21 H new ATOM 0 HG22 VAL A 37 -0.257 2.166 2.830 1.00 12.21 H new ATOM 0 HG23 VAL A 37 -1.927 1.974 2.249 1.00 12.21 H new ATOM 587 N GLU A 38 -3.209 4.866 0.737 1.00 54.22 N ATOM 588 CA GLU A 38 -4.632 4.811 0.906 1.00 22.43 C ATOM 589 C GLU A 38 -5.213 3.817 -0.011 1.00 32.10 C ATOM 590 O GLU A 38 -5.227 4.005 -1.227 1.00 52.34 O ATOM 591 CB GLU A 38 -5.341 6.130 0.697 1.00 75.25 C ATOM 592 CG GLU A 38 -5.265 7.080 1.837 1.00 63.32 C ATOM 593 CD GLU A 38 -6.073 8.313 1.557 1.00 12.14 C ATOM 594 OE1 GLU A 38 -5.644 9.144 0.737 1.00 54.43 O ATOM 595 OE2 GLU A 38 -7.185 8.443 2.111 1.00 10.54 O ATOM 0 H GLU A 38 -2.907 5.220 -0.171 1.00 54.22 H new ATOM 0 HA GLU A 38 -4.785 4.532 1.949 1.00 22.43 H new ATOM 0 HB2 GLU A 38 -4.922 6.613 -0.186 1.00 75.25 H new ATOM 0 HB3 GLU A 38 -6.391 5.929 0.482 1.00 75.25 H new ATOM 0 HG2 GLU A 38 -5.631 6.598 2.743 1.00 63.32 H new ATOM 0 HG3 GLU A 38 -4.226 7.354 2.019 1.00 63.32 H new ATOM 602 N VAL A 39 -5.663 2.759 0.553 1.00 34.23 N ATOM 603 CA VAL A 39 -6.352 1.764 -0.184 1.00 70.13 C ATOM 604 C VAL A 39 -7.816 1.855 0.231 1.00 1.43 C ATOM 605 O VAL A 39 -8.158 1.571 1.396 1.00 54.45 O ATOM 606 CB VAL A 39 -5.802 0.341 0.121 1.00 32.31 C ATOM 607 CG1 VAL A 39 -6.503 -0.735 -0.701 1.00 62.13 C ATOM 608 CG2 VAL A 39 -4.284 0.257 -0.052 1.00 4.22 C ATOM 0 H VAL A 39 -5.564 2.556 1.548 1.00 34.23 H new ATOM 0 HA VAL A 39 -6.221 1.929 -1.253 1.00 70.13 H new ATOM 0 HB VAL A 39 -6.023 0.150 1.171 1.00 32.31 H new ATOM 0 HG11 VAL A 39 -6.086 -1.711 -0.454 1.00 62.13 H new ATOM 0 HG12 VAL A 39 -7.569 -0.729 -0.475 1.00 62.13 H new ATOM 0 HG13 VAL A 39 -6.356 -0.536 -1.762 1.00 62.13 H new ATOM 0 HG21 VAL A 39 -3.948 -0.755 0.172 1.00 4.22 H new ATOM 0 HG22 VAL A 39 -4.020 0.508 -1.079 1.00 4.22 H new ATOM 0 HG23 VAL A 39 -3.801 0.959 0.628 1.00 4.22 H new ATOM 618 N LEU A 40 -8.639 2.330 -0.665 1.00 3.34 N ATOM 619 CA LEU A 40 -10.059 2.443 -0.440 1.00 35.24 C ATOM 620 C LEU A 40 -10.704 1.165 -0.885 1.00 34.13 C ATOM 621 O LEU A 40 -10.580 0.768 -2.048 1.00 24.33 O ATOM 622 CB LEU A 40 -10.634 3.678 -1.213 1.00 23.21 C ATOM 623 CG LEU A 40 -12.152 4.026 -1.081 1.00 24.05 C ATOM 624 CD1 LEU A 40 -12.411 5.377 -1.693 1.00 60.54 C ATOM 625 CD2 LEU A 40 -13.029 3.025 -1.805 1.00 3.42 C ATOM 0 H LEU A 40 -8.340 2.654 -1.585 1.00 3.34 H new ATOM 0 HA LEU A 40 -10.268 2.602 0.618 1.00 35.24 H new ATOM 0 HB2 LEU A 40 -10.069 4.554 -0.896 1.00 23.21 H new ATOM 0 HB3 LEU A 40 -10.423 3.528 -2.272 1.00 23.21 H new ATOM 0 HG LEU A 40 -12.394 4.011 -0.018 1.00 24.05 H new ATOM 0 HD11 LEU A 40 -13.469 5.621 -1.602 1.00 60.54 H new ATOM 0 HD12 LEU A 40 -11.819 6.131 -1.174 1.00 60.54 H new ATOM 0 HD13 LEU A 40 -12.133 5.359 -2.747 1.00 60.54 H new ATOM 0 HD21 LEU A 40 -14.076 3.306 -1.687 1.00 3.42 H new ATOM 0 HD22 LEU A 40 -12.773 3.016 -2.864 1.00 3.42 H new ATOM 0 HD23 LEU A 40 -12.870 2.032 -1.385 1.00 3.42 H new ATOM 637 N CYS A 41 -11.369 0.528 0.028 1.00 73.43 N ATOM 638 CA CYS A 41 -12.053 -0.701 -0.249 1.00 41.55 C ATOM 639 C CYS A 41 -13.539 -0.551 0.016 1.00 13.21 C ATOM 640 O CYS A 41 -13.964 -0.440 1.177 1.00 14.23 O ATOM 641 CB CYS A 41 -11.481 -1.847 0.598 1.00 51.25 C ATOM 642 SG CYS A 41 -12.290 -3.451 0.334 1.00 51.21 S ATOM 0 H CYS A 41 -11.454 0.846 0.993 1.00 73.43 H new ATOM 0 HA CYS A 41 -11.904 -0.941 -1.302 1.00 41.55 H new ATOM 0 HB2 CYS A 41 -10.418 -1.949 0.379 1.00 51.25 H new ATOM 0 HB3 CYS A 41 -11.565 -1.581 1.652 1.00 51.25 H new ATOM 0 HG CYS A 41 -11.733 -4.348 1.092 1.00 51.21 H new ATOM 648 N SER A 42 -14.312 -0.471 -1.064 1.00 13.31 N ATOM 649 CA SER A 42 -15.770 -0.452 -1.014 1.00 15.33 C ATOM 650 C SER A 42 -16.311 0.713 -0.177 1.00 3.20 C ATOM 651 O SER A 42 -17.411 0.646 0.371 1.00 30.54 O ATOM 652 CB SER A 42 -16.257 -1.801 -0.498 1.00 24.34 C ATOM 653 OG SER A 42 -15.743 -2.839 -1.333 1.00 42.45 O ATOM 0 H SER A 42 -13.937 -0.417 -2.011 1.00 13.31 H new ATOM 0 HA SER A 42 -16.157 -0.289 -2.020 1.00 15.33 H new ATOM 0 HB2 SER A 42 -15.929 -1.950 0.531 1.00 24.34 H new ATOM 0 HB3 SER A 42 -17.347 -1.829 -0.492 1.00 24.34 H new ATOM 0 HG SER A 42 -15.759 -2.545 -2.268 1.00 42.45 H new ATOM 659 N GLY A 43 -15.559 1.786 -0.134 1.00 11.10 N ATOM 660 CA GLY A 43 -15.976 2.954 0.589 1.00 1.24 C ATOM 661 C GLY A 43 -15.119 3.225 1.792 1.00 61.21 C ATOM 662 O GLY A 43 -15.060 4.346 2.269 1.00 31.50 O ATOM 0 H GLY A 43 -14.653 1.871 -0.594 1.00 11.10 H new ATOM 0 HA2 GLY A 43 -15.947 3.818 -0.075 1.00 1.24 H new ATOM 0 HA3 GLY A 43 -17.012 2.830 0.906 1.00 1.24 H new ATOM 666 N ARG A 44 -14.439 2.213 2.278 1.00 10.42 N ATOM 667 CA ARG A 44 -13.634 2.379 3.467 1.00 42.12 C ATOM 668 C ARG A 44 -12.174 2.580 3.122 1.00 42.40 C ATOM 669 O ARG A 44 -11.572 1.772 2.408 1.00 71.54 O ATOM 670 CB ARG A 44 -13.786 1.208 4.467 1.00 43.35 C ATOM 671 CG ARG A 44 -15.186 1.022 5.068 1.00 42.11 C ATOM 672 CD ARG A 44 -16.205 0.509 4.058 1.00 42.22 C ATOM 673 NE ARG A 44 -17.541 0.413 4.639 1.00 30.13 N ATOM 674 CZ ARG A 44 -18.369 -0.628 4.506 1.00 72.53 C ATOM 675 NH1 ARG A 44 -17.995 -1.705 3.817 1.00 31.42 N ATOM 676 NH2 ARG A 44 -19.564 -0.599 5.068 1.00 21.30 N ATOM 0 H ARG A 44 -14.426 1.276 1.875 1.00 10.42 H new ATOM 0 HA ARG A 44 -14.010 3.277 3.958 1.00 42.12 H new ATOM 0 HB2 ARG A 44 -13.502 0.285 3.962 1.00 43.35 H new ATOM 0 HB3 ARG A 44 -13.078 1.357 5.282 1.00 43.35 H new ATOM 0 HG2 ARG A 44 -15.127 0.324 5.903 1.00 42.11 H new ATOM 0 HG3 ARG A 44 -15.531 1.974 5.472 1.00 42.11 H new ATOM 0 HD2 ARG A 44 -16.230 1.176 3.196 1.00 42.22 H new ATOM 0 HD3 ARG A 44 -15.895 -0.471 3.694 1.00 42.22 H new ATOM 0 HE ARG A 44 -17.869 1.205 5.192 1.00 30.13 H new ATOM 0 HH11 ARG A 44 -17.071 -1.739 3.386 1.00 31.42 H new ATOM 0 HH12 ARG A 44 -18.633 -2.495 3.720 1.00 31.42 H new ATOM 0 HH21 ARG A 44 -19.856 0.218 5.604 1.00 21.30 H new ATOM 0 HH22 ARG A 44 -20.195 -1.394 4.966 1.00 21.30 H new ATOM 690 N ARG A 45 -11.613 3.643 3.627 1.00 23.43 N ATOM 691 CA ARG A 45 -10.219 3.968 3.418 1.00 52.22 C ATOM 692 C ARG A 45 -9.379 3.273 4.444 1.00 33.14 C ATOM 693 O ARG A 45 -9.865 2.901 5.497 1.00 20.11 O ATOM 694 CB ARG A 45 -9.980 5.468 3.632 1.00 70.02 C ATOM 695 CG ARG A 45 -10.629 6.408 2.649 1.00 71.41 C ATOM 696 CD ARG A 45 -9.910 6.432 1.326 1.00 71.41 C ATOM 697 NE ARG A 45 -10.606 7.285 0.367 1.00 74.14 N ATOM 698 CZ ARG A 45 -10.040 8.212 -0.409 1.00 72.24 C ATOM 699 NH1 ARG A 45 -8.796 8.620 -0.184 1.00 63.43 N ATOM 700 NH2 ARG A 45 -10.753 8.783 -1.366 1.00 21.30 N ATOM 0 H ARG A 45 -12.112 4.320 4.203 1.00 23.43 H new ATOM 0 HA ARG A 45 -9.961 3.665 2.403 1.00 52.22 H new ATOM 0 HB2 ARG A 45 -10.329 5.728 4.631 1.00 70.02 H new ATOM 0 HB3 ARG A 45 -8.905 5.646 3.613 1.00 70.02 H new ATOM 0 HG2 ARG A 45 -11.665 6.108 2.492 1.00 71.41 H new ATOM 0 HG3 ARG A 45 -10.648 7.414 3.069 1.00 71.41 H new ATOM 0 HD2 ARG A 45 -8.892 6.794 1.468 1.00 71.41 H new ATOM 0 HD3 ARG A 45 -9.836 5.419 0.930 1.00 71.41 H new ATOM 0 HE ARG A 45 -11.615 7.162 0.282 1.00 74.14 H new ATOM 0 HH11 ARG A 45 -8.261 8.224 0.589 1.00 63.43 H new ATOM 0 HH12 ARG A 45 -8.375 9.329 -0.785 1.00 63.43 H new ATOM 0 HH21 ARG A 45 -11.727 8.514 -1.506 1.00 21.30 H new ATOM 0 HH22 ARG A 45 -10.329 9.492 -1.964 1.00 21.30 H new ATOM 714 N HIS A 46 -8.145 3.056 4.112 1.00 45.00 N ATOM 715 CA HIS A 46 -7.154 2.710 5.096 1.00 22.03 C ATOM 716 C HIS A 46 -5.853 3.311 4.740 1.00 3.05 C ATOM 717 O HIS A 46 -5.286 2.999 3.688 1.00 74.20 O ATOM 718 CB HIS A 46 -7.051 1.210 5.456 1.00 11.13 C ATOM 719 CG HIS A 46 -6.845 0.233 4.350 1.00 60.42 C ATOM 720 ND1 HIS A 46 -7.886 -0.467 3.772 1.00 71.21 N ATOM 721 CD2 HIS A 46 -5.716 -0.230 3.766 1.00 1.34 C ATOM 722 CE1 HIS A 46 -7.410 -1.316 2.890 1.00 5.24 C ATOM 723 NE2 HIS A 46 -6.094 -1.196 2.864 1.00 3.31 N ATOM 0 H HIS A 46 -7.792 3.112 3.157 1.00 45.00 H new ATOM 0 HA HIS A 46 -7.504 3.146 6.032 1.00 22.03 H new ATOM 0 HB2 HIS A 46 -6.228 1.093 6.161 1.00 11.13 H new ATOM 0 HB3 HIS A 46 -7.964 0.930 5.982 1.00 11.13 H new ATOM 0 HD2 HIS A 46 -4.707 0.098 3.970 1.00 1.34 H new ATOM 0 HE1 HIS A 46 -7.994 -1.996 2.288 1.00 5.24 H new ATOM 0 HE2 HIS A 46 -5.461 -1.733 2.271 1.00 3.31 H new ATOM 732 N THR A 47 -5.394 4.191 5.593 1.00 53.32 N ATOM 733 CA THR A 47 -4.174 4.906 5.365 1.00 4.20 C ATOM 734 C THR A 47 -3.079 4.255 6.191 1.00 14.41 C ATOM 735 O THR A 47 -3.099 4.296 7.429 1.00 13.12 O ATOM 736 CB THR A 47 -4.335 6.382 5.760 1.00 25.23 C ATOM 737 OG1 THR A 47 -5.567 6.861 5.196 1.00 13.11 O ATOM 738 CG2 THR A 47 -3.196 7.204 5.176 1.00 42.44 C ATOM 0 H THR A 47 -5.861 4.429 6.468 1.00 53.32 H new ATOM 0 HA THR A 47 -3.915 4.870 4.307 1.00 4.20 H new ATOM 0 HB THR A 47 -4.331 6.473 6.846 1.00 25.23 H new ATOM 0 HG1 THR A 47 -5.693 7.803 5.437 1.00 13.11 H new ATOM 0 HG21 THR A 47 -3.318 8.249 5.461 1.00 42.44 H new ATOM 0 HG22 THR A 47 -2.246 6.832 5.559 1.00 42.44 H new ATOM 0 HG23 THR A 47 -3.207 7.121 4.089 1.00 42.44 H new ATOM 746 N VAL A 48 -2.159 3.628 5.526 1.00 70.54 N ATOM 747 CA VAL A 48 -1.140 2.872 6.203 1.00 14.44 C ATOM 748 C VAL A 48 0.258 3.329 5.800 1.00 44.15 C ATOM 749 O VAL A 48 0.579 3.358 4.618 1.00 21.25 O ATOM 750 CB VAL A 48 -1.273 1.354 5.873 1.00 24.21 C ATOM 751 CG1 VAL A 48 -0.250 0.543 6.636 1.00 24.32 C ATOM 752 CG2 VAL A 48 -2.678 0.842 6.164 1.00 23.43 C ATOM 0 H VAL A 48 -2.089 3.622 4.508 1.00 70.54 H new ATOM 0 HA VAL A 48 -1.279 3.039 7.271 1.00 14.44 H new ATOM 0 HB VAL A 48 -1.084 1.235 4.806 1.00 24.21 H new ATOM 0 HG11 VAL A 48 -0.364 -0.512 6.388 1.00 24.32 H new ATOM 0 HG12 VAL A 48 0.753 0.873 6.364 1.00 24.32 H new ATOM 0 HG13 VAL A 48 -0.400 0.683 7.707 1.00 24.32 H new ATOM 0 HG21 VAL A 48 -2.736 -0.219 5.923 1.00 23.43 H new ATOM 0 HG22 VAL A 48 -2.907 0.987 7.220 1.00 23.43 H new ATOM 0 HG23 VAL A 48 -3.398 1.391 5.558 1.00 23.43 H new ATOM 762 N PRO A 49 1.091 3.738 6.774 1.00 11.11 N ATOM 763 CA PRO A 49 2.500 3.978 6.523 1.00 15.12 C ATOM 764 C PRO A 49 3.185 2.631 6.344 1.00 65.33 C ATOM 765 O PRO A 49 3.316 1.850 7.296 1.00 42.12 O ATOM 766 CB PRO A 49 3.010 4.664 7.794 1.00 0.33 C ATOM 767 CG PRO A 49 1.998 4.371 8.856 1.00 74.01 C ATOM 768 CD PRO A 49 0.706 4.009 8.166 1.00 1.41 C ATOM 0 HA PRO A 49 2.688 4.582 5.636 1.00 15.12 H new ATOM 0 HB2 PRO A 49 3.992 4.284 8.075 1.00 0.33 H new ATOM 0 HB3 PRO A 49 3.116 5.738 7.642 1.00 0.33 H new ATOM 0 HG2 PRO A 49 2.336 3.552 9.491 1.00 74.01 H new ATOM 0 HG3 PRO A 49 1.858 5.238 9.501 1.00 74.01 H new ATOM 0 HD2 PRO A 49 0.242 3.136 8.626 1.00 1.41 H new ATOM 0 HD3 PRO A 49 -0.017 4.823 8.226 1.00 1.41 H new ATOM 776 N ARG A 50 3.590 2.342 5.154 1.00 4.41 N ATOM 777 CA ARG A 50 4.095 1.043 4.860 1.00 3.13 C ATOM 778 C ARG A 50 5.388 1.141 4.067 1.00 35.52 C ATOM 779 O ARG A 50 5.609 2.111 3.334 1.00 54.24 O ATOM 780 CB ARG A 50 2.969 0.264 4.138 1.00 52.41 C ATOM 781 CG ARG A 50 3.205 -1.213 3.857 1.00 53.23 C ATOM 782 CD ARG A 50 3.709 -1.963 5.077 1.00 4.45 C ATOM 783 NE ARG A 50 3.014 -1.651 6.321 1.00 10.11 N ATOM 784 CZ ARG A 50 3.615 -1.733 7.528 1.00 41.54 C ATOM 785 NH1 ARG A 50 4.901 -2.100 7.605 1.00 43.45 N ATOM 786 NH2 ARG A 50 2.948 -1.438 8.640 1.00 42.20 N ATOM 0 H ARG A 50 3.581 2.990 4.366 1.00 4.41 H new ATOM 0 HA ARG A 50 4.362 0.496 5.764 1.00 3.13 H new ATOM 0 HB2 ARG A 50 2.062 0.352 4.736 1.00 52.41 H new ATOM 0 HB3 ARG A 50 2.773 0.760 3.187 1.00 52.41 H new ATOM 0 HG2 ARG A 50 2.276 -1.667 3.513 1.00 53.23 H new ATOM 0 HG3 ARG A 50 3.928 -1.315 3.048 1.00 53.23 H new ATOM 0 HD2 ARG A 50 3.623 -3.033 4.889 1.00 4.45 H new ATOM 0 HD3 ARG A 50 4.769 -1.746 5.206 1.00 4.45 H new ATOM 0 HE ARG A 50 2.037 -1.360 6.278 1.00 10.11 H new ATOM 0 HH11 ARG A 50 5.422 -2.316 6.755 1.00 43.45 H new ATOM 0 HH12 ARG A 50 5.360 -2.164 8.514 1.00 43.45 H new ATOM 0 HH21 ARG A 50 1.972 -1.146 8.587 1.00 42.20 H new ATOM 0 HH22 ARG A 50 3.412 -1.504 9.546 1.00 42.20 H new ATOM 800 N ARG A 51 6.254 0.171 4.255 1.00 42.14 N ATOM 801 CA ARG A 51 7.540 0.152 3.613 1.00 54.50 C ATOM 802 C ARG A 51 7.438 -0.634 2.318 1.00 34.22 C ATOM 803 O ARG A 51 6.522 -1.454 2.150 1.00 33.44 O ATOM 804 CB ARG A 51 8.548 -0.537 4.525 1.00 13.13 C ATOM 805 CG ARG A 51 8.633 0.036 5.936 1.00 43.13 C ATOM 806 CD ARG A 51 9.595 -0.769 6.809 1.00 50.43 C ATOM 807 NE ARG A 51 9.238 -2.198 6.854 1.00 11.21 N ATOM 808 CZ ARG A 51 9.688 -3.090 7.744 1.00 42.04 C ATOM 809 NH1 ARG A 51 10.324 -2.695 8.830 1.00 61.35 N ATOM 810 NH2 ARG A 51 9.424 -4.366 7.566 1.00 23.51 N ATOM 0 H ARG A 51 6.081 -0.630 4.862 1.00 42.14 H new ATOM 0 HA ARG A 51 7.861 1.173 3.408 1.00 54.50 H new ATOM 0 HB2 ARG A 51 8.292 -1.594 4.593 1.00 13.13 H new ATOM 0 HB3 ARG A 51 9.534 -0.477 4.064 1.00 13.13 H new ATOM 0 HG2 ARG A 51 8.964 1.074 5.889 1.00 43.13 H new ATOM 0 HG3 ARG A 51 7.642 0.037 6.390 1.00 43.13 H new ATOM 0 HD2 ARG A 51 10.609 -0.661 6.425 1.00 50.43 H new ATOM 0 HD3 ARG A 51 9.592 -0.363 7.821 1.00 50.43 H new ATOM 0 HE ARG A 51 8.590 -2.537 6.143 1.00 11.21 H new ATOM 0 HH11 ARG A 51 10.477 -1.701 8.998 1.00 61.35 H new ATOM 0 HH12 ARG A 51 10.663 -3.384 9.502 1.00 61.35 H new ATOM 0 HH21 ARG A 51 8.882 -4.666 6.756 1.00 23.51 H new ATOM 0 HH22 ARG A 51 9.762 -5.055 8.238 1.00 23.51 H new ATOM 824 N TYR A 52 8.381 -0.415 1.409 1.00 20.55 N ATOM 825 CA TYR A 52 8.375 -1.132 0.138 1.00 75.11 C ATOM 826 C TYR A 52 8.698 -2.597 0.311 1.00 13.21 C ATOM 827 O TYR A 52 8.346 -3.418 -0.526 1.00 43.13 O ATOM 828 CB TYR A 52 9.241 -0.470 -0.951 1.00 44.32 C ATOM 829 CG TYR A 52 10.715 -0.262 -0.645 1.00 72.14 C ATOM 830 CD1 TYR A 52 11.620 -1.313 -0.739 1.00 73.01 C ATOM 831 CD2 TYR A 52 11.205 0.995 -0.297 1.00 2.33 C ATOM 832 CE1 TYR A 52 12.962 -1.123 -0.495 1.00 74.54 C ATOM 833 CE2 TYR A 52 12.552 1.190 -0.059 1.00 65.30 C ATOM 834 CZ TYR A 52 13.423 0.129 -0.158 1.00 33.14 C ATOM 835 OH TYR A 52 14.763 0.326 0.063 1.00 63.22 O ATOM 0 H TYR A 52 9.151 0.244 1.525 1.00 20.55 H new ATOM 0 HA TYR A 52 7.350 -1.067 -0.228 1.00 75.11 H new ATOM 0 HB2 TYR A 52 9.167 -1.076 -1.854 1.00 44.32 H new ATOM 0 HB3 TYR A 52 8.805 0.502 -1.183 1.00 44.32 H new ATOM 0 HD1 TYR A 52 11.264 -2.296 -1.008 1.00 73.01 H new ATOM 0 HD2 TYR A 52 10.523 1.828 -0.212 1.00 2.33 H new ATOM 0 HE1 TYR A 52 13.649 -1.953 -0.568 1.00 74.54 H new ATOM 0 HE2 TYR A 52 12.920 2.171 0.204 1.00 65.30 H new ATOM 0 HH TYR A 52 14.922 1.266 0.290 1.00 63.22 H new ATOM 845 N SER A 53 9.363 -2.909 1.408 1.00 53.10 N ATOM 846 CA SER A 53 9.719 -4.261 1.753 1.00 73.00 C ATOM 847 C SER A 53 8.455 -5.140 1.808 1.00 41.30 C ATOM 848 O SER A 53 8.428 -6.259 1.273 1.00 32.25 O ATOM 849 CB SER A 53 10.398 -4.233 3.114 1.00 63.34 C ATOM 850 OG SER A 53 11.491 -3.314 3.102 1.00 42.31 O ATOM 0 H SER A 53 9.672 -2.216 2.090 1.00 53.10 H new ATOM 0 HA SER A 53 10.392 -4.680 1.005 1.00 73.00 H new ATOM 0 HB2 SER A 53 9.679 -3.944 3.881 1.00 63.34 H new ATOM 0 HB3 SER A 53 10.755 -5.230 3.371 1.00 63.34 H new ATOM 0 HG SER A 53 11.919 -3.303 3.984 1.00 42.31 H new ATOM 856 N GLU A 54 7.395 -4.594 2.398 1.00 42.44 N ATOM 857 CA GLU A 54 6.157 -5.326 2.528 1.00 21.14 C ATOM 858 C GLU A 54 5.447 -5.400 1.205 1.00 33.22 C ATOM 859 O GLU A 54 4.929 -6.431 0.849 1.00 54.02 O ATOM 860 CB GLU A 54 5.223 -4.755 3.597 1.00 75.33 C ATOM 861 CG GLU A 54 5.751 -4.786 5.034 1.00 71.44 C ATOM 862 CD GLU A 54 6.881 -3.836 5.291 1.00 41.44 C ATOM 863 OE1 GLU A 54 6.609 -2.652 5.566 1.00 51.12 O ATOM 864 OE2 GLU A 54 8.045 -4.251 5.229 1.00 1.10 O ATOM 0 H GLU A 54 7.377 -3.652 2.789 1.00 42.44 H new ATOM 0 HA GLU A 54 6.429 -6.329 2.856 1.00 21.14 H new ATOM 0 HB2 GLU A 54 4.994 -3.721 3.337 1.00 75.33 H new ATOM 0 HB3 GLU A 54 4.284 -5.307 3.564 1.00 75.33 H new ATOM 0 HG2 GLU A 54 4.933 -4.553 5.715 1.00 71.44 H new ATOM 0 HG3 GLU A 54 6.081 -5.798 5.267 1.00 71.44 H new ATOM 871 N PHE A 55 5.449 -4.299 0.467 1.00 33.02 N ATOM 872 CA PHE A 55 4.822 -4.265 -0.856 1.00 64.42 C ATOM 873 C PHE A 55 5.495 -5.208 -1.836 1.00 1.40 C ATOM 874 O PHE A 55 4.842 -5.768 -2.721 1.00 73.23 O ATOM 875 CB PHE A 55 4.731 -2.842 -1.412 1.00 24.42 C ATOM 876 CG PHE A 55 3.540 -2.060 -0.916 1.00 20.05 C ATOM 877 CD1 PHE A 55 2.964 -2.319 0.318 1.00 14.34 C ATOM 878 CD2 PHE A 55 2.970 -1.088 -1.715 1.00 23.32 C ATOM 879 CE1 PHE A 55 1.857 -1.617 0.739 1.00 65.33 C ATOM 880 CE2 PHE A 55 1.861 -0.388 -1.299 1.00 54.25 C ATOM 881 CZ PHE A 55 1.305 -0.654 -0.070 1.00 24.43 C ATOM 0 H PHE A 55 5.875 -3.418 0.756 1.00 33.02 H new ATOM 0 HA PHE A 55 3.801 -4.623 -0.723 1.00 64.42 H new ATOM 0 HB2 PHE A 55 5.641 -2.302 -1.149 1.00 24.42 H new ATOM 0 HB3 PHE A 55 4.692 -2.891 -2.500 1.00 24.42 H new ATOM 0 HD1 PHE A 55 3.388 -3.080 0.956 1.00 14.34 H new ATOM 0 HD2 PHE A 55 3.402 -0.874 -2.682 1.00 23.32 H new ATOM 0 HE1 PHE A 55 1.422 -1.824 1.706 1.00 65.33 H new ATOM 0 HE2 PHE A 55 1.428 0.369 -1.936 1.00 54.25 H new ATOM 0 HZ PHE A 55 0.435 -0.106 0.259 1.00 24.43 H new ATOM 891 N HIS A 56 6.782 -5.401 -1.670 1.00 30.02 N ATOM 892 CA HIS A 56 7.518 -6.330 -2.491 1.00 50.41 C ATOM 893 C HIS A 56 7.034 -7.758 -2.202 1.00 65.34 C ATOM 894 O HIS A 56 6.776 -8.535 -3.127 1.00 10.15 O ATOM 895 CB HIS A 56 9.034 -6.183 -2.238 1.00 71.33 C ATOM 896 CG HIS A 56 9.892 -7.053 -3.103 1.00 4.35 C ATOM 897 ND1 HIS A 56 10.982 -7.741 -2.638 1.00 22.41 N ATOM 898 CD2 HIS A 56 9.831 -7.314 -4.427 1.00 31.53 C ATOM 899 CE1 HIS A 56 11.544 -8.385 -3.625 1.00 13.12 C ATOM 900 NE2 HIS A 56 10.868 -8.142 -4.726 1.00 54.00 N ATOM 0 H HIS A 56 7.344 -4.922 -0.967 1.00 30.02 H new ATOM 0 HA HIS A 56 7.340 -6.112 -3.544 1.00 50.41 H new ATOM 0 HB2 HIS A 56 9.317 -5.142 -2.396 1.00 71.33 H new ATOM 0 HB3 HIS A 56 9.240 -6.414 -1.193 1.00 71.33 H new ATOM 0 HD1 HIS A 56 11.304 -7.749 -1.670 1.00 22.41 H new ATOM 0 HD2 HIS A 56 9.095 -6.935 -5.120 1.00 31.53 H new ATOM 0 HE1 HIS A 56 12.419 -9.013 -3.549 1.00 13.12 H new ATOM 909 N ALA A 57 6.888 -8.073 -0.922 1.00 60.14 N ATOM 910 CA ALA A 57 6.412 -9.382 -0.486 1.00 51.24 C ATOM 911 C ALA A 57 4.925 -9.570 -0.833 1.00 52.03 C ATOM 912 O ALA A 57 4.512 -10.630 -1.318 1.00 20.21 O ATOM 913 CB ALA A 57 6.646 -9.546 1.010 1.00 42.50 C ATOM 0 H ALA A 57 7.095 -7.431 -0.157 1.00 60.14 H new ATOM 0 HA ALA A 57 6.974 -10.152 -1.015 1.00 51.24 H new ATOM 0 HB1 ALA A 57 6.289 -10.525 1.329 1.00 42.50 H new ATOM 0 HB2 ALA A 57 7.712 -9.462 1.223 1.00 42.50 H new ATOM 0 HB3 ALA A 57 6.105 -8.769 1.550 1.00 42.50 H new ATOM 919 N LEU A 58 4.141 -8.536 -0.579 1.00 2.23 N ATOM 920 CA LEU A 58 2.705 -8.506 -0.874 1.00 41.24 C ATOM 921 C LEU A 58 2.444 -8.765 -2.341 1.00 74.54 C ATOM 922 O LEU A 58 1.665 -9.655 -2.700 1.00 63.33 O ATOM 923 CB LEU A 58 2.163 -7.103 -0.506 1.00 22.33 C ATOM 924 CG LEU A 58 0.757 -6.705 -1.008 1.00 54.50 C ATOM 925 CD1 LEU A 58 -0.334 -7.594 -0.458 1.00 42.45 C ATOM 926 CD2 LEU A 58 0.474 -5.249 -0.682 1.00 55.33 C ATOM 0 H LEU A 58 4.484 -7.674 -0.154 1.00 2.23 H new ATOM 0 HA LEU A 58 2.207 -9.284 -0.295 1.00 41.24 H new ATOM 0 HB2 LEU A 58 2.163 -7.021 0.581 1.00 22.33 H new ATOM 0 HB3 LEU A 58 2.871 -6.364 -0.881 1.00 22.33 H new ATOM 0 HG LEU A 58 0.755 -6.840 -2.090 1.00 54.50 H new ATOM 0 HD11 LEU A 58 -1.299 -7.267 -0.845 1.00 42.45 H new ATOM 0 HD12 LEU A 58 -0.151 -8.625 -0.762 1.00 42.45 H new ATOM 0 HD13 LEU A 58 -0.339 -7.532 0.630 1.00 42.45 H new ATOM 0 HD21 LEU A 58 -0.520 -4.982 -1.041 1.00 55.33 H new ATOM 0 HD22 LEU A 58 0.521 -5.102 0.397 1.00 55.33 H new ATOM 0 HD23 LEU A 58 1.217 -4.616 -1.167 1.00 55.33 H new ATOM 938 N HIS A 59 3.143 -8.040 -3.185 1.00 4.32 N ATOM 939 CA HIS A 59 2.917 -8.120 -4.598 1.00 32.42 C ATOM 940 C HIS A 59 3.425 -9.441 -5.163 1.00 1.13 C ATOM 941 O HIS A 59 2.814 -9.984 -6.067 1.00 73.15 O ATOM 942 CB HIS A 59 3.531 -6.902 -5.325 1.00 53.21 C ATOM 943 CG HIS A 59 3.230 -6.810 -6.804 1.00 23.22 C ATOM 944 ND1 HIS A 59 2.287 -5.944 -7.335 1.00 55.54 N ATOM 945 CD2 HIS A 59 3.786 -7.442 -7.861 1.00 51.54 C ATOM 946 CE1 HIS A 59 2.287 -6.054 -8.651 1.00 31.21 C ATOM 947 NE2 HIS A 59 3.190 -6.956 -8.990 1.00 40.30 N ATOM 0 H HIS A 59 3.876 -7.386 -2.908 1.00 4.32 H new ATOM 0 HA HIS A 59 1.842 -8.092 -4.773 1.00 32.42 H new ATOM 0 HB2 HIS A 59 3.173 -5.993 -4.841 1.00 53.21 H new ATOM 0 HB3 HIS A 59 4.613 -6.929 -5.193 1.00 53.21 H new ATOM 0 HD2 HIS A 59 4.560 -8.194 -7.821 1.00 51.54 H new ATOM 0 HE1 HIS A 59 1.657 -5.502 -9.332 1.00 31.21 H new ATOM 0 HE2 HIS A 59 3.408 -7.244 -9.944 1.00 40.30 H new ATOM 956 N LYS A 60 4.537 -9.965 -4.641 1.00 51.54 N ATOM 957 CA LYS A 60 5.039 -11.226 -5.169 1.00 54.15 C ATOM 958 C LYS A 60 4.159 -12.401 -4.741 1.00 13.14 C ATOM 959 O LYS A 60 4.082 -13.412 -5.440 1.00 2.05 O ATOM 960 CB LYS A 60 6.486 -11.542 -4.801 1.00 12.24 C ATOM 961 CG LYS A 60 6.702 -11.881 -3.343 1.00 62.52 C ATOM 962 CD LYS A 60 7.920 -12.769 -3.153 1.00 44.44 C ATOM 963 CE LYS A 60 7.760 -14.081 -3.945 1.00 74.42 C ATOM 964 NZ LYS A 60 8.821 -15.050 -3.620 1.00 71.33 N ATOM 0 H LYS A 60 5.084 -9.553 -3.885 1.00 51.54 H new ATOM 0 HA LYS A 60 5.005 -11.092 -6.250 1.00 54.15 H new ATOM 0 HB2 LYS A 60 6.828 -12.379 -5.410 1.00 12.24 H new ATOM 0 HB3 LYS A 60 7.109 -10.685 -5.058 1.00 12.24 H new ATOM 0 HG2 LYS A 60 6.827 -10.963 -2.769 1.00 62.52 H new ATOM 0 HG3 LYS A 60 5.818 -12.384 -2.951 1.00 62.52 H new ATOM 0 HD2 LYS A 60 8.816 -12.244 -3.485 1.00 44.44 H new ATOM 0 HD3 LYS A 60 8.054 -12.990 -2.094 1.00 44.44 H new ATOM 0 HE2 LYS A 60 6.787 -14.521 -3.727 1.00 74.42 H new ATOM 0 HE3 LYS A 60 7.780 -13.865 -5.013 1.00 74.42 H new ATOM 0 HZ1 LYS A 60 8.679 -15.919 -4.173 1.00 71.33 H new ATOM 0 HZ2 LYS A 60 9.748 -14.640 -3.852 1.00 71.33 H new ATOM 0 HZ3 LYS A 60 8.786 -15.276 -2.605 1.00 71.33 H new ATOM 978 N ARG A 61 3.524 -12.291 -3.585 1.00 4.44 N ATOM 979 CA ARG A 61 2.672 -13.358 -3.132 1.00 34.14 C ATOM 980 C ARG A 61 1.410 -13.390 -3.960 1.00 45.55 C ATOM 981 O ARG A 61 1.014 -14.440 -4.465 1.00 34.43 O ATOM 982 CB ARG A 61 2.372 -13.270 -1.629 1.00 35.44 C ATOM 983 CG ARG A 61 1.463 -14.389 -1.125 1.00 71.31 C ATOM 984 CD ARG A 61 1.272 -14.345 0.378 1.00 54.14 C ATOM 985 NE ARG A 61 2.519 -14.586 1.128 1.00 73.53 N ATOM 986 CZ ARG A 61 2.617 -14.541 2.472 1.00 61.30 C ATOM 987 NH1 ARG A 61 1.576 -14.180 3.201 1.00 4.03 N ATOM 988 NH2 ARG A 61 3.765 -14.832 3.074 1.00 12.42 N ATOM 0 H ARG A 61 3.585 -11.487 -2.960 1.00 4.44 H new ATOM 0 HA ARG A 61 3.203 -14.299 -3.272 1.00 34.14 H new ATOM 0 HB2 ARG A 61 3.311 -13.298 -1.076 1.00 35.44 H new ATOM 0 HB3 ARG A 61 1.905 -12.309 -1.415 1.00 35.44 H new ATOM 0 HG2 ARG A 61 0.492 -14.313 -1.614 1.00 71.31 H new ATOM 0 HG3 ARG A 61 1.887 -15.353 -1.407 1.00 71.31 H new ATOM 0 HD2 ARG A 61 0.869 -13.372 0.658 1.00 54.14 H new ATOM 0 HD3 ARG A 61 0.532 -15.092 0.666 1.00 54.14 H new ATOM 0 HE ARG A 61 3.362 -14.801 0.595 1.00 73.53 H new ATOM 0 HH11 ARG A 61 0.696 -13.935 2.747 1.00 4.03 H new ATOM 0 HH12 ARG A 61 1.652 -14.147 4.218 1.00 4.03 H new ATOM 0 HH21 ARG A 61 4.580 -15.092 2.519 1.00 12.42 H new ATOM 0 HH22 ARG A 61 3.831 -14.796 4.091 1.00 12.42 H new ATOM 1002 N ILE A 62 0.803 -12.231 -4.157 1.00 61.40 N ATOM 1003 CA ILE A 62 -0.385 -12.177 -4.969 1.00 34.31 C ATOM 1004 C ILE A 62 -0.108 -12.290 -6.444 1.00 44.12 C ATOM 1005 O ILE A 62 -1.044 -12.437 -7.223 1.00 31.11 O ATOM 1006 CB ILE A 62 -1.321 -10.993 -4.694 1.00 61.02 C ATOM 1007 CG1 ILE A 62 -0.601 -9.649 -4.823 1.00 35.44 C ATOM 1008 CG2 ILE A 62 -2.013 -11.152 -3.355 1.00 42.12 C ATOM 1009 CD1 ILE A 62 -1.505 -8.464 -4.612 1.00 74.40 C ATOM 0 H ILE A 62 1.110 -11.338 -3.772 1.00 61.40 H new ATOM 0 HA ILE A 62 -0.924 -13.068 -4.649 1.00 34.31 H new ATOM 0 HB ILE A 62 -2.094 -10.995 -5.462 1.00 61.02 H new ATOM 0 HG12 ILE A 62 0.212 -9.610 -4.098 1.00 35.44 H new ATOM 0 HG13 ILE A 62 -0.150 -9.581 -5.813 1.00 35.44 H new ATOM 0 HG21 ILE A 62 -2.671 -10.301 -3.182 1.00 42.12 H new ATOM 0 HG22 ILE A 62 -2.600 -12.070 -3.356 1.00 42.12 H new ATOM 0 HG23 ILE A 62 -1.266 -11.200 -2.563 1.00 42.12 H new ATOM 0 HD11 ILE A 62 -0.930 -7.544 -4.718 1.00 74.40 H new ATOM 0 HD12 ILE A 62 -2.304 -8.479 -5.353 1.00 74.40 H new ATOM 0 HD13 ILE A 62 -1.937 -8.509 -3.612 1.00 74.40 H new ATOM 1021 N LYS A 63 1.168 -12.256 -6.844 1.00 10.11 N ATOM 1022 CA LYS A 63 1.476 -12.418 -8.250 1.00 11.21 C ATOM 1023 C LYS A 63 1.252 -13.867 -8.631 1.00 63.31 C ATOM 1024 O LYS A 63 1.077 -14.204 -9.804 1.00 32.15 O ATOM 1025 CB LYS A 63 2.894 -11.873 -8.637 1.00 2.52 C ATOM 1026 CG LYS A 63 4.105 -12.765 -8.346 1.00 70.41 C ATOM 1027 CD LYS A 63 4.396 -13.750 -9.482 1.00 14.32 C ATOM 1028 CE LYS A 63 4.840 -13.000 -10.739 1.00 5.21 C ATOM 1029 NZ LYS A 63 5.152 -13.895 -11.864 1.00 31.54 N ATOM 0 H LYS A 63 1.972 -12.122 -6.231 1.00 10.11 H new ATOM 0 HA LYS A 63 0.798 -11.799 -8.838 1.00 11.21 H new ATOM 0 HB2 LYS A 63 2.889 -11.653 -9.705 1.00 2.52 H new ATOM 0 HB3 LYS A 63 3.042 -10.926 -8.117 1.00 2.52 H new ATOM 0 HG2 LYS A 63 4.981 -12.139 -8.179 1.00 70.41 H new ATOM 0 HG3 LYS A 63 3.930 -13.320 -7.424 1.00 70.41 H new ATOM 0 HD2 LYS A 63 5.173 -14.450 -9.175 1.00 14.32 H new ATOM 0 HD3 LYS A 63 3.505 -14.339 -9.698 1.00 14.32 H new ATOM 0 HE2 LYS A 63 4.053 -12.309 -11.040 1.00 5.21 H new ATOM 0 HE3 LYS A 63 5.719 -12.400 -10.505 1.00 5.21 H new ATOM 0 HZ1 LYS A 63 5.709 -13.379 -12.574 1.00 31.54 H new ATOM 0 HZ2 LYS A 63 5.700 -14.709 -11.519 1.00 31.54 H new ATOM 0 HZ3 LYS A 63 4.268 -14.231 -12.296 1.00 31.54 H new ATOM 1043 N LYS A 64 1.265 -14.732 -7.619 1.00 74.32 N ATOM 1044 CA LYS A 64 0.911 -16.116 -7.807 1.00 14.14 C ATOM 1045 C LYS A 64 -0.592 -16.321 -7.470 1.00 41.24 C ATOM 1046 O LYS A 64 -1.185 -17.328 -7.830 1.00 62.12 O ATOM 1047 CB LYS A 64 1.763 -16.997 -6.888 1.00 62.51 C ATOM 1048 CG LYS A 64 1.613 -18.484 -7.160 1.00 62.05 C ATOM 1049 CD LYS A 64 2.432 -19.322 -6.208 1.00 21.03 C ATOM 1050 CE LYS A 64 2.368 -20.799 -6.584 1.00 43.12 C ATOM 1051 NZ LYS A 64 0.978 -21.307 -6.649 1.00 21.31 N ATOM 0 H LYS A 64 1.519 -14.487 -6.662 1.00 74.32 H new ATOM 0 HA LYS A 64 1.092 -16.394 -8.845 1.00 14.14 H new ATOM 0 HB2 LYS A 64 2.811 -16.719 -7.002 1.00 62.51 H new ATOM 0 HB3 LYS A 64 1.491 -16.796 -5.852 1.00 62.51 H new ATOM 0 HG2 LYS A 64 0.563 -18.763 -7.076 1.00 62.05 H new ATOM 0 HG3 LYS A 64 1.919 -18.697 -8.184 1.00 62.05 H new ATOM 0 HD2 LYS A 64 3.468 -18.985 -6.221 1.00 21.03 H new ATOM 0 HD3 LYS A 64 2.065 -19.186 -5.191 1.00 21.03 H new ATOM 0 HE2 LYS A 64 2.851 -20.946 -7.550 1.00 43.12 H new ATOM 0 HE3 LYS A 64 2.931 -21.381 -5.854 1.00 43.12 H new ATOM 0 HZ1 LYS A 64 0.991 -22.344 -6.722 1.00 21.31 H new ATOM 0 HZ2 LYS A 64 0.465 -21.027 -5.789 1.00 21.31 H new ATOM 0 HZ3 LYS A 64 0.501 -20.907 -7.482 1.00 21.31 H new ATOM 1065 N LEU A 65 -1.193 -15.334 -6.820 1.00 21.31 N ATOM 1066 CA LEU A 65 -2.559 -15.459 -6.296 1.00 40.13 C ATOM 1067 C LEU A 65 -3.602 -15.036 -7.353 1.00 34.34 C ATOM 1068 O LEU A 65 -4.421 -15.854 -7.773 1.00 13.42 O ATOM 1069 CB LEU A 65 -2.694 -14.611 -4.995 1.00 75.31 C ATOM 1070 CG LEU A 65 -3.900 -14.848 -4.034 1.00 22.23 C ATOM 1071 CD1 LEU A 65 -5.261 -14.595 -4.673 1.00 21.43 C ATOM 1072 CD2 LEU A 65 -3.823 -16.230 -3.411 1.00 0.12 C ATOM 0 H LEU A 65 -0.758 -14.429 -6.639 1.00 21.31 H new ATOM 0 HA LEU A 65 -2.754 -16.504 -6.057 1.00 40.13 H new ATOM 0 HB2 LEU A 65 -1.783 -14.759 -4.415 1.00 75.31 H new ATOM 0 HB3 LEU A 65 -2.716 -13.562 -5.292 1.00 75.31 H new ATOM 0 HG LEU A 65 -3.813 -14.100 -3.246 1.00 22.23 H new ATOM 0 HD11 LEU A 65 -6.047 -14.781 -3.941 1.00 21.43 H new ATOM 0 HD12 LEU A 65 -5.318 -13.560 -5.011 1.00 21.43 H new ATOM 0 HD13 LEU A 65 -5.393 -15.262 -5.525 1.00 21.43 H new ATOM 0 HD21 LEU A 65 -4.673 -16.376 -2.744 1.00 0.12 H new ATOM 0 HD22 LEU A 65 -3.844 -16.985 -4.197 1.00 0.12 H new ATOM 0 HD23 LEU A 65 -2.897 -16.322 -2.844 1.00 0.12 H new ATOM 1084 N TYR A 66 -3.576 -13.771 -7.782 1.00 21.33 N ATOM 1085 CA TYR A 66 -4.584 -13.296 -8.726 1.00 42.40 C ATOM 1086 C TYR A 66 -3.901 -12.643 -9.930 1.00 53.44 C ATOM 1087 O TYR A 66 -2.682 -12.696 -10.021 1.00 42.02 O ATOM 1088 CB TYR A 66 -5.645 -12.373 -8.036 1.00 64.34 C ATOM 1089 CG TYR A 66 -5.259 -10.950 -7.655 1.00 60.42 C ATOM 1090 CD1 TYR A 66 -5.392 -9.915 -8.572 1.00 73.34 C ATOM 1091 CD2 TYR A 66 -4.826 -10.636 -6.377 1.00 60.04 C ATOM 1092 CE1 TYR A 66 -5.095 -8.615 -8.237 1.00 23.23 C ATOM 1093 CE2 TYR A 66 -4.537 -9.330 -6.027 1.00 14.34 C ATOM 1094 CZ TYR A 66 -4.671 -8.323 -6.965 1.00 3.54 C ATOM 1095 OH TYR A 66 -4.394 -7.026 -6.632 1.00 42.41 O ATOM 0 H TYR A 66 -2.886 -13.075 -7.498 1.00 21.33 H new ATOM 0 HA TYR A 66 -5.151 -14.150 -9.097 1.00 42.40 H new ATOM 0 HB2 TYR A 66 -6.507 -12.312 -8.700 1.00 64.34 H new ATOM 0 HB3 TYR A 66 -5.977 -12.877 -7.128 1.00 64.34 H new ATOM 0 HD1 TYR A 66 -5.737 -10.137 -9.571 1.00 73.34 H new ATOM 0 HD2 TYR A 66 -4.713 -11.422 -5.645 1.00 60.04 H new ATOM 0 HE1 TYR A 66 -5.195 -7.829 -8.970 1.00 23.23 H new ATOM 0 HE2 TYR A 66 -4.208 -9.097 -5.025 1.00 14.34 H new ATOM 0 HH TYR A 66 -4.061 -6.989 -5.711 1.00 42.41 H new ATOM 1105 N LYS A 67 -4.674 -12.060 -10.866 1.00 73.01 N ATOM 1106 CA LYS A 67 -4.081 -11.450 -12.077 1.00 32.32 C ATOM 1107 C LYS A 67 -3.231 -10.248 -11.697 1.00 32.32 C ATOM 1108 O LYS A 67 -3.742 -9.173 -11.367 1.00 35.33 O ATOM 1109 CB LYS A 67 -5.146 -11.055 -13.096 1.00 54.00 C ATOM 1110 CG LYS A 67 -4.565 -10.624 -14.442 1.00 12.11 C ATOM 1111 CD LYS A 67 -5.652 -10.267 -15.437 1.00 13.01 C ATOM 1112 CE LYS A 67 -5.070 -9.928 -16.809 1.00 64.24 C ATOM 1113 NZ LYS A 67 -4.136 -8.776 -16.757 1.00 61.33 N ATOM 0 H LYS A 67 -5.691 -11.997 -10.812 1.00 73.01 H new ATOM 0 HA LYS A 67 -3.446 -12.200 -12.548 1.00 32.32 H new ATOM 0 HB2 LYS A 67 -5.820 -11.898 -13.252 1.00 54.00 H new ATOM 0 HB3 LYS A 67 -5.744 -10.240 -12.689 1.00 54.00 H new ATOM 0 HG2 LYS A 67 -3.909 -9.765 -14.297 1.00 12.11 H new ATOM 0 HG3 LYS A 67 -3.951 -11.429 -14.847 1.00 12.11 H new ATOM 0 HD2 LYS A 67 -6.347 -11.101 -15.532 1.00 13.01 H new ATOM 0 HD3 LYS A 67 -6.223 -9.417 -15.063 1.00 13.01 H new ATOM 0 HE2 LYS A 67 -4.547 -10.799 -17.204 1.00 64.24 H new ATOM 0 HE3 LYS A 67 -5.882 -9.703 -17.500 1.00 64.24 H new ATOM 0 HZ1 LYS A 67 -4.489 -8.015 -17.371 1.00 61.33 H new ATOM 0 HZ2 LYS A 67 -4.067 -8.429 -15.779 1.00 61.33 H new ATOM 0 HZ3 LYS A 67 -3.196 -9.076 -17.085 1.00 61.33 H new ATOM 1127 N VAL A 68 -1.944 -10.451 -11.757 1.00 44.34 N ATOM 1128 CA VAL A 68 -0.953 -9.531 -11.267 1.00 42.14 C ATOM 1129 C VAL A 68 0.311 -9.673 -12.126 1.00 23.23 C ATOM 1130 O VAL A 68 0.635 -10.798 -12.563 1.00 32.01 O ATOM 1131 CB VAL A 68 -0.597 -9.911 -9.780 1.00 55.32 C ATOM 1132 CG1 VAL A 68 0.585 -9.142 -9.240 1.00 71.32 C ATOM 1133 CG2 VAL A 68 -1.777 -9.737 -8.841 1.00 2.53 C ATOM 0 H VAL A 68 -1.540 -11.294 -12.164 1.00 44.34 H new ATOM 0 HA VAL A 68 -1.331 -8.510 -11.313 1.00 42.14 H new ATOM 0 HB VAL A 68 -0.328 -10.967 -9.820 1.00 55.32 H new ATOM 0 HG11 VAL A 68 0.780 -9.449 -8.212 1.00 71.32 H new ATOM 0 HG12 VAL A 68 1.463 -9.347 -9.853 1.00 71.32 H new ATOM 0 HG13 VAL A 68 0.367 -8.074 -9.265 1.00 71.32 H new ATOM 0 HG21 VAL A 68 -1.480 -10.012 -7.829 1.00 2.53 H new ATOM 0 HG22 VAL A 68 -2.102 -8.697 -8.854 1.00 2.53 H new ATOM 0 HG23 VAL A 68 -2.597 -10.377 -9.165 1.00 2.53 H new ATOM 1143 N PRO A 69 1.017 -8.553 -12.424 1.00 44.14 N ATOM 1144 CA PRO A 69 2.291 -8.595 -13.138 1.00 43.12 C ATOM 1145 C PRO A 69 3.397 -9.160 -12.237 1.00 32.02 C ATOM 1146 O PRO A 69 3.131 -9.650 -11.128 1.00 2.54 O ATOM 1147 CB PRO A 69 2.589 -7.114 -13.465 1.00 44.11 C ATOM 1148 CG PRO A 69 1.340 -6.368 -13.144 1.00 61.14 C ATOM 1149 CD PRO A 69 0.616 -7.175 -12.117 1.00 52.02 C ATOM 0 HA PRO A 69 2.248 -9.229 -14.024 1.00 43.12 H new ATOM 0 HB2 PRO A 69 3.428 -6.744 -12.875 1.00 44.11 H new ATOM 0 HB3 PRO A 69 2.859 -6.992 -14.514 1.00 44.11 H new ATOM 0 HG2 PRO A 69 1.570 -5.373 -12.764 1.00 61.14 H new ATOM 0 HG3 PRO A 69 0.727 -6.235 -14.036 1.00 61.14 H new ATOM 0 HD2 PRO A 69 0.903 -6.889 -11.105 1.00 52.02 H new ATOM 0 HD3 PRO A 69 -0.464 -7.045 -12.191 1.00 52.02 H new ATOM 1157 N ASP A 70 4.621 -9.073 -12.677 1.00 62.43 N ATOM 1158 CA ASP A 70 5.725 -9.569 -11.881 1.00 21.12 C ATOM 1159 C ASP A 70 6.039 -8.602 -10.750 1.00 64.42 C ATOM 1160 O ASP A 70 5.381 -7.554 -10.610 1.00 0.23 O ATOM 1161 CB ASP A 70 6.968 -9.878 -12.727 1.00 2.53 C ATOM 1162 CG ASP A 70 6.721 -10.957 -13.769 1.00 52.53 C ATOM 1163 OD1 ASP A 70 6.553 -12.146 -13.399 1.00 70.01 O ATOM 1164 OD2 ASP A 70 6.691 -10.636 -14.976 1.00 71.33 O ATOM 0 H ASP A 70 4.886 -8.668 -13.575 1.00 62.43 H new ATOM 0 HA ASP A 70 5.414 -10.518 -11.445 1.00 21.12 H new ATOM 0 HB2 ASP A 70 7.297 -8.967 -13.226 1.00 2.53 H new ATOM 0 HB3 ASP A 70 7.779 -10.193 -12.070 1.00 2.53 H new ATOM 1169 N PHE A 71 7.001 -8.934 -9.938 1.00 30.05 N ATOM 1170 CA PHE A 71 7.313 -8.132 -8.778 1.00 65.40 C ATOM 1171 C PHE A 71 8.495 -7.202 -9.025 1.00 53.34 C ATOM 1172 O PHE A 71 9.378 -7.509 -9.824 1.00 33.02 O ATOM 1173 CB PHE A 71 7.514 -9.018 -7.527 1.00 35.33 C ATOM 1174 CG PHE A 71 8.521 -10.127 -7.684 1.00 33.41 C ATOM 1175 CD1 PHE A 71 9.861 -9.917 -7.411 1.00 23.52 C ATOM 1176 CD2 PHE A 71 8.118 -11.385 -8.098 1.00 21.00 C ATOM 1177 CE1 PHE A 71 10.775 -10.939 -7.549 1.00 23.05 C ATOM 1178 CE2 PHE A 71 9.027 -12.406 -8.240 1.00 2.43 C ATOM 1179 CZ PHE A 71 10.358 -12.181 -7.964 1.00 34.04 C ATOM 0 H PHE A 71 7.589 -9.759 -10.054 1.00 30.05 H new ATOM 0 HA PHE A 71 6.456 -7.488 -8.584 1.00 65.40 H new ATOM 0 HB2 PHE A 71 7.823 -8.383 -6.697 1.00 35.33 H new ATOM 0 HB3 PHE A 71 6.554 -9.456 -7.253 1.00 35.33 H new ATOM 0 HD1 PHE A 71 10.194 -8.942 -7.086 1.00 23.52 H new ATOM 0 HD2 PHE A 71 7.075 -11.567 -8.312 1.00 21.00 H new ATOM 0 HE1 PHE A 71 11.818 -10.764 -7.331 1.00 23.05 H new ATOM 0 HE2 PHE A 71 8.699 -13.382 -8.567 1.00 2.43 H new ATOM 0 HZ PHE A 71 11.074 -12.982 -8.074 1.00 34.04 H new ATOM 1189 N PRO A 72 8.510 -6.027 -8.364 1.00 41.05 N ATOM 1190 CA PRO A 72 9.596 -5.060 -8.509 1.00 35.00 C ATOM 1191 C PRO A 72 10.930 -5.612 -8.014 1.00 24.32 C ATOM 1192 O PRO A 72 10.978 -6.525 -7.171 1.00 35.33 O ATOM 1193 CB PRO A 72 9.156 -3.877 -7.629 1.00 1.34 C ATOM 1194 CG PRO A 72 8.168 -4.458 -6.680 1.00 52.20 C ATOM 1195 CD PRO A 72 7.468 -5.541 -7.440 1.00 10.53 C ATOM 0 HA PRO A 72 9.759 -4.793 -9.553 1.00 35.00 H new ATOM 0 HB2 PRO A 72 10.003 -3.440 -7.100 1.00 1.34 H new ATOM 0 HB3 PRO A 72 8.710 -3.083 -8.228 1.00 1.34 H new ATOM 0 HG2 PRO A 72 8.663 -4.857 -5.795 1.00 52.20 H new ATOM 0 HG3 PRO A 72 7.463 -3.701 -6.337 1.00 52.20 H new ATOM 0 HD2 PRO A 72 7.113 -6.333 -6.780 1.00 10.53 H new ATOM 0 HD3 PRO A 72 6.599 -5.160 -7.977 1.00 10.53 H new ATOM 1203 N SER A 73 11.979 -5.069 -8.530 1.00 44.24 N ATOM 1204 CA SER A 73 13.303 -5.440 -8.168 1.00 53.34 C ATOM 1205 C SER A 73 13.723 -4.591 -6.976 1.00 43.10 C ATOM 1206 O SER A 73 12.957 -3.726 -6.505 1.00 71.31 O ATOM 1207 CB SER A 73 14.234 -5.160 -9.366 1.00 53.14 C ATOM 1208 OG SER A 73 15.584 -5.534 -9.099 1.00 61.11 O ATOM 0 H SER A 73 11.937 -4.334 -9.236 1.00 44.24 H new ATOM 0 HA SER A 73 13.358 -6.497 -7.906 1.00 53.34 H new ATOM 0 HB2 SER A 73 13.874 -5.705 -10.239 1.00 53.14 H new ATOM 0 HB3 SER A 73 14.195 -4.099 -9.614 1.00 53.14 H new ATOM 0 HG SER A 73 16.138 -5.341 -9.884 1.00 61.11 H new ATOM 1214 N LYS A 74 14.902 -4.824 -6.477 1.00 71.14 N ATOM 1215 CA LYS A 74 15.433 -3.978 -5.460 1.00 24.13 C ATOM 1216 C LYS A 74 16.104 -2.793 -6.130 1.00 21.04 C ATOM 1217 O LYS A 74 16.383 -1.767 -5.498 1.00 43.30 O ATOM 1218 CB LYS A 74 16.378 -4.726 -4.518 1.00 11.42 C ATOM 1219 CG LYS A 74 17.585 -5.378 -5.168 1.00 41.41 C ATOM 1220 CD LYS A 74 18.427 -6.075 -4.114 1.00 62.25 C ATOM 1221 CE LYS A 74 19.626 -6.773 -4.713 1.00 2.33 C ATOM 1222 NZ LYS A 74 20.442 -7.435 -3.676 1.00 53.33 N ATOM 0 H LYS A 74 15.510 -5.593 -6.760 1.00 71.14 H new ATOM 0 HA LYS A 74 14.622 -3.622 -4.824 1.00 24.13 H new ATOM 0 HB2 LYS A 74 16.731 -4.027 -3.760 1.00 11.42 H new ATOM 0 HB3 LYS A 74 15.808 -5.497 -4.000 1.00 11.42 H new ATOM 0 HG2 LYS A 74 17.260 -6.097 -5.920 1.00 41.41 H new ATOM 0 HG3 LYS A 74 18.182 -4.626 -5.684 1.00 41.41 H new ATOM 0 HD2 LYS A 74 18.764 -5.344 -3.378 1.00 62.25 H new ATOM 0 HD3 LYS A 74 17.813 -6.802 -3.583 1.00 62.25 H new ATOM 0 HE2 LYS A 74 19.292 -7.512 -5.441 1.00 2.33 H new ATOM 0 HE3 LYS A 74 20.238 -6.049 -5.252 1.00 2.33 H new ATOM 0 HZ1 LYS A 74 21.256 -7.904 -4.122 1.00 53.33 H new ATOM 0 HZ2 LYS A 74 20.781 -6.725 -2.996 1.00 53.33 H new ATOM 0 HZ3 LYS A 74 19.864 -8.143 -3.179 1.00 53.33 H new ATOM 1236 N ARG A 75 16.346 -2.935 -7.433 1.00 61.21 N ATOM 1237 CA ARG A 75 16.881 -1.862 -8.205 1.00 5.24 C ATOM 1238 C ARG A 75 15.737 -1.078 -8.815 1.00 40.31 C ATOM 1239 O ARG A 75 15.027 -1.559 -9.717 1.00 25.22 O ATOM 1240 CB ARG A 75 17.812 -2.354 -9.312 1.00 41.01 C ATOM 1241 CG ARG A 75 18.420 -1.210 -10.106 1.00 14.43 C ATOM 1242 CD ARG A 75 19.311 -1.680 -11.233 1.00 3.52 C ATOM 1243 NE ARG A 75 19.898 -0.529 -11.928 1.00 21.33 N ATOM 1244 CZ ARG A 75 20.802 -0.582 -12.911 1.00 63.04 C ATOM 1245 NH1 ARG A 75 21.207 -1.749 -13.401 1.00 41.20 N ATOM 1246 NH2 ARG A 75 21.295 0.544 -13.408 1.00 33.43 N ATOM 0 H ARG A 75 16.173 -3.792 -7.958 1.00 61.21 H new ATOM 0 HA ARG A 75 17.471 -1.231 -7.541 1.00 5.24 H new ATOM 0 HB2 ARG A 75 18.610 -2.953 -8.873 1.00 41.01 H new ATOM 0 HB3 ARG A 75 17.258 -3.007 -9.986 1.00 41.01 H new ATOM 0 HG2 ARG A 75 17.620 -0.594 -10.516 1.00 14.43 H new ATOM 0 HG3 ARG A 75 18.998 -0.576 -9.434 1.00 14.43 H new ATOM 0 HD2 ARG A 75 20.102 -2.318 -10.839 1.00 3.52 H new ATOM 0 HD3 ARG A 75 18.735 -2.283 -11.935 1.00 3.52 H new ATOM 0 HE ARG A 75 19.588 0.397 -11.634 1.00 21.33 H new ATOM 0 HH11 ARG A 75 20.827 -2.619 -13.027 1.00 41.20 H new ATOM 0 HH12 ARG A 75 21.898 -1.775 -14.151 1.00 41.20 H new ATOM 0 HH21 ARG A 75 20.984 1.443 -13.040 1.00 33.43 H new ATOM 0 HH22 ARG A 75 21.985 0.511 -14.158 1.00 33.43 H new ATOM 1260 N LEU A 76 15.548 0.084 -8.307 1.00 31.20 N ATOM 1261 CA LEU A 76 14.548 0.998 -8.756 1.00 62.42 C ATOM 1262 C LEU A 76 15.240 2.349 -8.672 1.00 21.24 C ATOM 1263 O LEU A 76 16.041 2.514 -7.741 1.00 11.31 O ATOM 1264 CB LEU A 76 13.330 0.888 -7.777 1.00 4.05 C ATOM 1265 CG LEU A 76 11.974 1.557 -8.141 1.00 12.40 C ATOM 1266 CD1 LEU A 76 12.039 3.077 -8.192 1.00 4.22 C ATOM 1267 CD2 LEU A 76 11.404 0.969 -9.433 1.00 14.21 C ATOM 0 H LEU A 76 16.107 0.445 -7.534 1.00 31.20 H new ATOM 0 HA LEU A 76 14.166 0.818 -9.761 1.00 62.42 H new ATOM 0 HB2 LEU A 76 13.136 -0.173 -7.620 1.00 4.05 H new ATOM 0 HB3 LEU A 76 13.647 1.299 -6.819 1.00 4.05 H new ATOM 0 HG LEU A 76 11.288 1.324 -7.326 1.00 12.40 H new ATOM 0 HD11 LEU A 76 11.058 3.475 -8.452 1.00 4.22 H new ATOM 0 HD12 LEU A 76 12.340 3.461 -7.217 1.00 4.22 H new ATOM 0 HD13 LEU A 76 12.766 3.385 -8.944 1.00 4.22 H new ATOM 0 HD21 LEU A 76 10.456 1.453 -9.666 1.00 14.21 H new ATOM 0 HD22 LEU A 76 12.107 1.135 -10.250 1.00 14.21 H new ATOM 0 HD23 LEU A 76 11.243 -0.101 -9.306 1.00 14.21 H new ATOM 1279 N PRO A 77 15.036 3.279 -9.675 1.00 12.31 N ATOM 1280 CA PRO A 77 15.618 4.638 -9.690 1.00 50.04 C ATOM 1281 C PRO A 77 15.921 5.175 -8.290 1.00 10.50 C ATOM 1282 O PRO A 77 15.032 5.257 -7.445 1.00 42.55 O ATOM 1283 CB PRO A 77 14.518 5.440 -10.359 1.00 11.12 C ATOM 1284 CG PRO A 77 13.924 4.490 -11.365 1.00 11.22 C ATOM 1285 CD PRO A 77 14.239 3.071 -10.893 1.00 61.34 C ATOM 0 HA PRO A 77 16.582 4.679 -10.197 1.00 50.04 H new ATOM 0 HB2 PRO A 77 13.772 5.772 -9.637 1.00 11.12 H new ATOM 0 HB3 PRO A 77 14.914 6.334 -10.841 1.00 11.12 H new ATOM 0 HG2 PRO A 77 12.847 4.638 -11.444 1.00 11.22 H new ATOM 0 HG3 PRO A 77 14.344 4.667 -12.355 1.00 11.22 H new ATOM 0 HD2 PRO A 77 13.330 2.507 -10.685 1.00 61.34 H new ATOM 0 HD3 PRO A 77 14.796 2.513 -11.646 1.00 61.34 H new ATOM 1293 N ASN A 78 17.186 5.535 -8.070 1.00 32.21 N ATOM 1294 CA ASN A 78 17.702 5.891 -6.736 1.00 35.35 C ATOM 1295 C ASN A 78 16.998 7.068 -6.067 1.00 41.20 C ATOM 1296 O ASN A 78 17.160 7.253 -4.866 1.00 55.03 O ATOM 1297 CB ASN A 78 19.245 6.089 -6.733 1.00 64.11 C ATOM 1298 CG ASN A 78 19.763 7.237 -7.612 1.00 62.15 C ATOM 1299 OD1 ASN A 78 19.091 8.246 -7.828 1.00 71.32 O ATOM 1300 ND2 ASN A 78 20.971 7.093 -8.109 1.00 54.12 N ATOM 0 H ASN A 78 17.887 5.590 -8.809 1.00 32.21 H new ATOM 0 HA ASN A 78 17.464 5.023 -6.122 1.00 35.35 H new ATOM 0 HB2 ASN A 78 19.570 6.264 -5.707 1.00 64.11 H new ATOM 0 HB3 ASN A 78 19.714 5.162 -7.062 1.00 64.11 H new ATOM 0 HD21 ASN A 78 21.374 7.828 -8.690 1.00 54.12 H new ATOM 0 HD22 ASN A 78 21.505 6.246 -7.914 1.00 54.12 H new ATOM 1307 N TRP A 79 16.263 7.865 -6.869 1.00 10.25 N ATOM 1308 CA TRP A 79 15.432 9.060 -6.470 1.00 11.04 C ATOM 1309 C TRP A 79 16.195 10.185 -5.746 1.00 51.50 C ATOM 1310 O TRP A 79 15.800 11.327 -5.813 1.00 53.03 O ATOM 1311 CB TRP A 79 14.120 8.698 -5.693 1.00 65.13 C ATOM 1312 CG TRP A 79 14.301 8.140 -4.303 1.00 51.45 C ATOM 1313 CD1 TRP A 79 14.575 8.838 -3.166 1.00 72.43 C ATOM 1314 CD2 TRP A 79 14.199 6.777 -3.915 1.00 63.54 C ATOM 1315 NE1 TRP A 79 14.666 7.977 -2.102 1.00 62.22 N ATOM 1316 CE2 TRP A 79 14.434 6.707 -2.545 1.00 44.40 C ATOM 1317 CE3 TRP A 79 13.941 5.618 -4.601 1.00 14.44 C ATOM 1318 CZ2 TRP A 79 14.413 5.506 -1.860 1.00 31.33 C ATOM 1319 CZ3 TRP A 79 13.921 4.433 -3.929 1.00 32.45 C ATOM 1320 CH2 TRP A 79 14.156 4.384 -2.565 1.00 21.51 C ATOM 0 H TRP A 79 16.219 7.697 -7.874 1.00 10.25 H new ATOM 0 HA TRP A 79 15.143 9.464 -7.440 1.00 11.04 H new ATOM 0 HB2 TRP A 79 13.504 9.595 -5.625 1.00 65.13 H new ATOM 0 HB3 TRP A 79 13.561 7.972 -6.284 1.00 65.13 H new ATOM 0 HD1 TRP A 79 14.702 9.909 -3.110 1.00 72.43 H new ATOM 0 HE1 TRP A 79 14.873 8.242 -1.139 1.00 62.22 H new ATOM 0 HE3 TRP A 79 13.755 5.644 -5.665 1.00 14.44 H new ATOM 0 HZ2 TRP A 79 14.596 5.467 -0.796 1.00 31.33 H new ATOM 0 HZ3 TRP A 79 13.719 3.519 -4.468 1.00 32.45 H new ATOM 0 HH2 TRP A 79 14.133 3.431 -2.057 1.00 21.51 H new ATOM 1331 N ARG A 80 17.274 9.850 -5.083 1.00 44.11 N ATOM 1332 CA ARG A 80 18.038 10.775 -4.263 1.00 13.04 C ATOM 1333 C ARG A 80 18.589 11.943 -5.107 1.00 23.33 C ATOM 1334 O ARG A 80 18.785 13.053 -4.601 1.00 75.44 O ATOM 1335 CB ARG A 80 19.179 10.022 -3.561 1.00 4.32 C ATOM 1336 CG ARG A 80 19.787 10.750 -2.367 1.00 62.13 C ATOM 1337 CD ARG A 80 18.762 10.888 -1.233 1.00 21.54 C ATOM 1338 NE ARG A 80 19.321 11.541 -0.043 1.00 3.11 N ATOM 1339 CZ ARG A 80 18.737 11.565 1.173 1.00 12.24 C ATOM 1340 NH1 ARG A 80 17.584 10.938 1.390 1.00 12.13 N ATOM 1341 NH2 ARG A 80 19.319 12.218 2.169 1.00 3.41 N ATOM 0 H ARG A 80 17.660 8.906 -5.095 1.00 44.11 H new ATOM 0 HA ARG A 80 17.377 11.201 -3.509 1.00 13.04 H new ATOM 0 HB2 ARG A 80 18.805 9.054 -3.227 1.00 4.32 H new ATOM 0 HB3 ARG A 80 19.967 9.825 -4.288 1.00 4.32 H new ATOM 0 HG2 ARG A 80 20.661 10.205 -2.009 1.00 62.13 H new ATOM 0 HG3 ARG A 80 20.131 11.738 -2.674 1.00 62.13 H new ATOM 0 HD2 ARG A 80 17.906 11.462 -1.589 1.00 21.54 H new ATOM 0 HD3 ARG A 80 18.392 9.900 -0.960 1.00 21.54 H new ATOM 0 HE ARG A 80 20.220 12.013 -0.143 1.00 3.11 H new ATOM 0 HH11 ARG A 80 17.129 10.430 0.631 1.00 12.13 H new ATOM 0 HH12 ARG A 80 17.155 10.965 2.315 1.00 12.13 H new ATOM 0 HH21 ARG A 80 20.205 12.700 2.014 1.00 3.41 H new ATOM 0 HH22 ARG A 80 18.881 12.239 3.090 1.00 3.41 H new ATOM 1355 N THR A 81 18.813 11.688 -6.384 1.00 33.43 N ATOM 1356 CA THR A 81 19.318 12.692 -7.298 1.00 2.41 C ATOM 1357 C THR A 81 18.208 13.685 -7.726 1.00 44.25 C ATOM 1358 O THR A 81 18.486 14.796 -8.186 1.00 21.30 O ATOM 1359 CB THR A 81 19.931 12.014 -8.538 1.00 53.32 C ATOM 1360 OG1 THR A 81 18.977 11.101 -9.113 1.00 12.14 O ATOM 1361 CG2 THR A 81 21.189 11.251 -8.166 1.00 42.24 C ATOM 0 H THR A 81 18.649 10.778 -6.815 1.00 33.43 H new ATOM 0 HA THR A 81 20.089 13.261 -6.778 1.00 2.41 H new ATOM 0 HB THR A 81 20.188 12.788 -9.261 1.00 53.32 H new ATOM 0 HG1 THR A 81 19.057 10.227 -8.677 1.00 12.14 H new ATOM 0 HG21 THR A 81 21.606 10.780 -9.056 1.00 42.24 H new ATOM 0 HG22 THR A 81 21.921 11.940 -7.744 1.00 42.24 H new ATOM 0 HG23 THR A 81 20.945 10.485 -7.430 1.00 42.24 H new ATOM 1369 N ARG A 82 16.970 13.280 -7.554 1.00 11.12 N ATOM 1370 CA ARG A 82 15.819 14.078 -7.930 1.00 72.55 C ATOM 1371 C ARG A 82 14.828 14.036 -6.772 1.00 62.12 C ATOM 1372 O ARG A 82 15.239 14.170 -5.613 1.00 50.53 O ATOM 1373 CB ARG A 82 15.195 13.513 -9.216 1.00 11.01 C ATOM 1374 CG ARG A 82 16.148 13.476 -10.407 1.00 60.20 C ATOM 1375 CD ARG A 82 15.434 13.065 -11.675 1.00 32.03 C ATOM 1376 NE ARG A 82 14.389 14.029 -12.021 1.00 53.41 N ATOM 1377 CZ ARG A 82 13.677 14.051 -13.149 1.00 23.21 C ATOM 1378 NH1 ARG A 82 13.870 13.135 -14.099 1.00 4.12 N ATOM 1379 NH2 ARG A 82 12.777 15.005 -13.323 1.00 52.43 N ATOM 0 H ARG A 82 16.729 12.377 -7.145 1.00 11.12 H new ATOM 0 HA ARG A 82 16.105 15.111 -8.129 1.00 72.55 H new ATOM 0 HB2 ARG A 82 14.837 12.502 -9.020 1.00 11.01 H new ATOM 0 HB3 ARG A 82 14.325 14.114 -9.479 1.00 11.01 H new ATOM 0 HG2 ARG A 82 16.599 14.459 -10.544 1.00 60.20 H new ATOM 0 HG3 ARG A 82 16.960 12.778 -10.203 1.00 60.20 H new ATOM 0 HD2 ARG A 82 16.151 12.990 -12.493 1.00 32.03 H new ATOM 0 HD3 ARG A 82 14.994 12.076 -11.545 1.00 32.03 H new ATOM 0 HE ARG A 82 14.185 14.754 -11.333 1.00 53.41 H new ATOM 0 HH11 ARG A 82 14.570 12.404 -13.968 1.00 4.12 H new ATOM 0 HH12 ARG A 82 13.318 13.165 -14.956 1.00 4.12 H new ATOM 0 HH21 ARG A 82 12.635 15.710 -12.600 1.00 52.43 H new ATOM 0 HH22 ARG A 82 12.225 15.035 -14.180 1.00 52.43 H new ATOM 1393 N GLY A 83 13.545 13.897 -7.053 1.00 64.25 N ATOM 1394 CA GLY A 83 12.599 13.781 -5.979 1.00 4.32 C ATOM 1395 C GLY A 83 12.292 12.350 -5.644 1.00 41.11 C ATOM 1396 O GLY A 83 12.710 11.424 -6.333 1.00 50.03 O ATOM 0 H GLY A 83 13.150 13.863 -7.993 1.00 64.25 H new ATOM 0 HA2 GLY A 83 12.993 14.283 -5.095 1.00 4.32 H new ATOM 0 HA3 GLY A 83 11.677 14.294 -6.253 1.00 4.32 H new ATOM 1400 N LEU A 84 11.526 12.203 -4.622 1.00 75.52 N ATOM 1401 CA LEU A 84 11.122 10.942 -4.052 1.00 10.25 C ATOM 1402 C LEU A 84 10.000 10.288 -4.863 1.00 52.12 C ATOM 1403 O LEU A 84 9.639 9.109 -4.646 1.00 51.12 O ATOM 1404 CB LEU A 84 10.711 11.183 -2.624 1.00 74.11 C ATOM 1405 CG LEU A 84 10.289 9.989 -1.818 1.00 23.04 C ATOM 1406 CD1 LEU A 84 11.373 8.944 -1.813 1.00 1.10 C ATOM 1407 CD2 LEU A 84 10.011 10.437 -0.433 1.00 32.24 C ATOM 0 H LEU A 84 11.134 13.001 -4.122 1.00 75.52 H new ATOM 0 HA LEU A 84 11.957 10.242 -4.079 1.00 10.25 H new ATOM 0 HB2 LEU A 84 11.545 11.660 -2.109 1.00 74.11 H new ATOM 0 HB3 LEU A 84 9.887 11.897 -2.626 1.00 74.11 H new ATOM 0 HG LEU A 84 9.396 9.546 -2.258 1.00 23.04 H new ATOM 0 HD11 LEU A 84 11.049 8.086 -1.224 1.00 1.10 H new ATOM 0 HD12 LEU A 84 11.576 8.626 -2.836 1.00 1.10 H new ATOM 0 HD13 LEU A 84 12.280 9.362 -1.376 1.00 1.10 H new ATOM 0 HD21 LEU A 84 9.702 9.583 0.170 1.00 32.24 H new ATOM 0 HD22 LEU A 84 10.912 10.877 -0.005 1.00 32.24 H new ATOM 0 HD23 LEU A 84 9.214 11.181 -0.444 1.00 32.24 H new ATOM 1419 N GLU A 85 9.433 11.068 -5.759 1.00 52.41 N ATOM 1420 CA GLU A 85 8.314 10.664 -6.594 1.00 32.30 C ATOM 1421 C GLU A 85 8.649 9.312 -7.272 1.00 54.14 C ATOM 1422 O GLU A 85 7.826 8.423 -7.281 1.00 32.23 O ATOM 1423 CB GLU A 85 8.090 11.773 -7.647 1.00 44.14 C ATOM 1424 CG GLU A 85 6.712 11.824 -8.320 1.00 32.23 C ATOM 1425 CD GLU A 85 6.325 10.609 -9.116 1.00 34.23 C ATOM 1426 OE1 GLU A 85 6.793 10.465 -10.265 1.00 43.55 O ATOM 1427 OE2 GLU A 85 5.491 9.829 -8.638 1.00 43.21 O ATOM 0 H GLU A 85 9.743 12.024 -5.934 1.00 52.41 H new ATOM 0 HA GLU A 85 7.406 10.531 -6.006 1.00 32.30 H new ATOM 0 HB2 GLU A 85 8.270 12.736 -7.169 1.00 44.14 H new ATOM 0 HB3 GLU A 85 8.844 11.658 -8.426 1.00 44.14 H new ATOM 0 HG2 GLU A 85 5.958 11.985 -7.549 1.00 32.23 H new ATOM 0 HG3 GLU A 85 6.683 12.691 -8.980 1.00 32.23 H new ATOM 1434 N GLN A 86 9.888 9.163 -7.763 1.00 51.11 N ATOM 1435 CA GLN A 86 10.362 7.912 -8.388 1.00 44.22 C ATOM 1436 C GLN A 86 10.130 6.677 -7.498 1.00 63.04 C ATOM 1437 O GLN A 86 9.733 5.613 -7.993 1.00 61.34 O ATOM 1438 CB GLN A 86 11.852 7.975 -8.814 1.00 65.43 C ATOM 1439 CG GLN A 86 12.193 8.825 -10.058 1.00 40.05 C ATOM 1440 CD GLN A 86 12.088 10.345 -9.905 1.00 64.14 C ATOM 1441 OE1 GLN A 86 11.304 10.882 -9.136 1.00 32.53 O ATOM 1442 NE2 GLN A 86 12.891 11.047 -10.658 1.00 63.31 N ATOM 0 H GLN A 86 10.591 9.902 -7.740 1.00 51.11 H new ATOM 0 HA GLN A 86 9.756 7.806 -9.288 1.00 44.22 H new ATOM 0 HB2 GLN A 86 12.428 8.360 -7.973 1.00 65.43 H new ATOM 0 HB3 GLN A 86 12.195 6.957 -8.996 1.00 65.43 H new ATOM 0 HG2 GLN A 86 13.210 8.584 -10.366 1.00 40.05 H new ATOM 0 HG3 GLN A 86 11.533 8.519 -10.870 1.00 40.05 H new ATOM 0 HE21 GLN A 86 13.537 10.577 -11.292 1.00 63.31 H new ATOM 0 HE22 GLN A 86 12.873 12.066 -10.612 1.00 63.31 H new ATOM 1451 N ARG A 87 10.372 6.819 -6.196 1.00 21.22 N ATOM 1452 CA ARG A 87 10.127 5.738 -5.255 1.00 23.11 C ATOM 1453 C ARG A 87 8.670 5.333 -5.281 1.00 32.55 C ATOM 1454 O ARG A 87 8.329 4.141 -5.477 1.00 55.22 O ATOM 1455 CB ARG A 87 10.375 6.217 -3.863 1.00 3.05 C ATOM 1456 CG ARG A 87 9.878 5.251 -2.801 1.00 11.31 C ATOM 1457 CD ARG A 87 10.722 3.969 -2.688 1.00 0.14 C ATOM 1458 NE ARG A 87 10.603 3.063 -3.852 1.00 52.23 N ATOM 1459 CZ ARG A 87 11.386 1.982 -4.077 1.00 24.43 C ATOM 1460 NH1 ARG A 87 12.436 1.742 -3.306 1.00 11.23 N ATOM 1461 NH2 ARG A 87 11.123 1.167 -5.084 1.00 1.20 N ATOM 0 H ARG A 87 10.737 7.673 -5.773 1.00 21.22 H new ATOM 0 HA ARG A 87 10.780 4.911 -5.533 1.00 23.11 H new ATOM 0 HB2 ARG A 87 11.444 6.379 -3.726 1.00 3.05 H new ATOM 0 HB3 ARG A 87 9.887 7.182 -3.725 1.00 3.05 H new ATOM 0 HG2 ARG A 87 9.872 5.758 -1.836 1.00 11.31 H new ATOM 0 HG3 ARG A 87 8.847 4.978 -3.025 1.00 11.31 H new ATOM 0 HD2 ARG A 87 11.769 4.246 -2.562 1.00 0.14 H new ATOM 0 HD3 ARG A 87 10.425 3.429 -1.789 1.00 0.14 H new ATOM 0 HE ARG A 87 9.876 3.269 -4.537 1.00 52.23 H new ATOM 0 HH11 ARG A 87 12.659 2.374 -2.537 1.00 11.23 H new ATOM 0 HH12 ARG A 87 13.022 0.925 -3.481 1.00 11.23 H new ATOM 0 HH21 ARG A 87 10.327 1.352 -5.695 1.00 1.20 H new ATOM 0 HH22 ARG A 87 11.716 0.354 -5.250 1.00 1.20 H new ATOM 1475 N ARG A 88 7.816 6.338 -5.055 1.00 34.21 N ATOM 1476 CA ARG A 88 6.374 6.160 -4.999 1.00 73.24 C ATOM 1477 C ARG A 88 5.902 5.588 -6.294 1.00 30.10 C ATOM 1478 O ARG A 88 5.067 4.699 -6.330 1.00 24.23 O ATOM 1479 CB ARG A 88 5.681 7.504 -4.815 1.00 24.20 C ATOM 1480 CG ARG A 88 4.176 7.382 -4.669 1.00 2.30 C ATOM 1481 CD ARG A 88 3.485 8.717 -4.799 1.00 41.23 C ATOM 1482 NE ARG A 88 3.647 9.272 -6.150 1.00 34.20 N ATOM 1483 CZ ARG A 88 2.657 9.774 -6.896 1.00 72.55 C ATOM 1484 NH1 ARG A 88 1.402 9.781 -6.448 1.00 64.24 N ATOM 1485 NH2 ARG A 88 2.929 10.237 -8.097 1.00 0.02 N ATOM 0 H ARG A 88 8.116 7.301 -4.906 1.00 34.21 H new ATOM 0 HA ARG A 88 6.140 5.500 -4.164 1.00 73.24 H new ATOM 0 HB2 ARG A 88 6.087 7.998 -3.932 1.00 24.20 H new ATOM 0 HB3 ARG A 88 5.907 8.142 -5.669 1.00 24.20 H new ATOM 0 HG2 ARG A 88 3.792 6.700 -5.428 1.00 2.30 H new ATOM 0 HG3 ARG A 88 3.940 6.945 -3.699 1.00 2.30 H new ATOM 0 HD2 ARG A 88 2.424 8.603 -4.575 1.00 41.23 H new ATOM 0 HD3 ARG A 88 3.893 9.413 -4.066 1.00 41.23 H new ATOM 0 HE ARG A 88 4.586 9.275 -6.549 1.00 34.20 H new ATOM 0 HH11 ARG A 88 1.187 9.401 -5.526 1.00 64.24 H new ATOM 0 HH12 ARG A 88 0.656 10.167 -7.027 1.00 64.24 H new ATOM 0 HH21 ARG A 88 3.886 10.210 -8.449 1.00 0.02 H new ATOM 0 HH22 ARG A 88 2.183 10.622 -8.676 1.00 0.02 H new ATOM 1499 N GLN A 89 6.489 6.095 -7.336 1.00 21.20 N ATOM 1500 CA GLN A 89 6.138 5.762 -8.703 1.00 13.43 C ATOM 1501 C GLN A 89 6.308 4.279 -8.943 1.00 71.10 C ATOM 1502 O GLN A 89 5.457 3.648 -9.546 1.00 52.30 O ATOM 1503 CB GLN A 89 6.993 6.578 -9.685 1.00 24.11 C ATOM 1504 CG GLN A 89 6.677 6.357 -11.153 1.00 12.25 C ATOM 1505 CD GLN A 89 5.253 6.712 -11.508 1.00 41.33 C ATOM 1506 OE1 GLN A 89 4.354 5.868 -11.457 1.00 2.13 O ATOM 1507 NE2 GLN A 89 5.027 7.953 -11.850 1.00 12.21 N ATOM 0 H GLN A 89 7.249 6.772 -7.267 1.00 21.20 H new ATOM 0 HA GLN A 89 5.091 6.015 -8.870 1.00 13.43 H new ATOM 0 HB2 GLN A 89 6.868 7.637 -9.458 1.00 24.11 H new ATOM 0 HB3 GLN A 89 8.042 6.337 -9.515 1.00 24.11 H new ATOM 0 HG2 GLN A 89 7.357 6.955 -11.760 1.00 12.25 H new ATOM 0 HG3 GLN A 89 6.859 5.312 -11.405 1.00 12.25 H new ATOM 0 HE21 GLN A 89 5.797 8.622 -11.881 1.00 12.21 H new ATOM 0 HE22 GLN A 89 4.081 8.253 -12.086 1.00 12.21 H new ATOM 1516 N GLY A 90 7.401 3.729 -8.449 1.00 24.22 N ATOM 1517 CA GLY A 90 7.641 2.319 -8.595 1.00 62.53 C ATOM 1518 C GLY A 90 6.577 1.480 -7.905 1.00 61.30 C ATOM 1519 O GLY A 90 5.958 0.616 -8.531 1.00 72.14 O ATOM 0 H GLY A 90 8.128 4.239 -7.947 1.00 24.22 H new ATOM 0 HA2 GLY A 90 7.671 2.065 -9.655 1.00 62.53 H new ATOM 0 HA3 GLY A 90 8.619 2.074 -8.181 1.00 62.53 H new ATOM 1523 N LEU A 91 6.315 1.770 -6.640 1.00 33.21 N ATOM 1524 CA LEU A 91 5.330 0.983 -5.893 1.00 14.34 C ATOM 1525 C LEU A 91 3.927 1.208 -6.384 1.00 72.22 C ATOM 1526 O LEU A 91 3.169 0.253 -6.553 1.00 71.02 O ATOM 1527 CB LEU A 91 5.399 1.175 -4.362 1.00 2.04 C ATOM 1528 CG LEU A 91 6.608 0.574 -3.623 1.00 50.15 C ATOM 1529 CD1 LEU A 91 6.738 -0.918 -3.895 1.00 34.22 C ATOM 1530 CD2 LEU A 91 7.882 1.296 -3.955 1.00 2.53 C ATOM 0 H LEU A 91 6.755 2.525 -6.114 1.00 33.21 H new ATOM 0 HA LEU A 91 5.606 -0.053 -6.091 1.00 14.34 H new ATOM 0 HB2 LEU A 91 5.377 2.245 -4.156 1.00 2.04 H new ATOM 0 HB3 LEU A 91 4.494 0.749 -3.929 1.00 2.04 H new ATOM 0 HG LEU A 91 6.428 0.706 -2.556 1.00 50.15 H new ATOM 0 HD11 LEU A 91 7.601 -1.312 -3.359 1.00 34.22 H new ATOM 0 HD12 LEU A 91 5.837 -1.429 -3.557 1.00 34.22 H new ATOM 0 HD13 LEU A 91 6.869 -1.083 -4.964 1.00 34.22 H new ATOM 0 HD21 LEU A 91 8.710 0.840 -3.413 1.00 2.53 H new ATOM 0 HD22 LEU A 91 8.069 1.229 -5.027 1.00 2.53 H new ATOM 0 HD23 LEU A 91 7.792 2.343 -3.667 1.00 2.53 H new ATOM 1542 N GLU A 92 3.584 2.451 -6.647 1.00 12.41 N ATOM 1543 CA GLU A 92 2.256 2.764 -7.081 1.00 2.11 C ATOM 1544 C GLU A 92 1.994 2.201 -8.471 1.00 64.13 C ATOM 1545 O GLU A 92 0.907 1.783 -8.748 1.00 32.24 O ATOM 1546 CB GLU A 92 1.940 4.261 -6.980 1.00 74.53 C ATOM 1547 CG GLU A 92 0.489 4.589 -7.301 1.00 24.40 C ATOM 1548 CD GLU A 92 0.138 6.036 -7.099 1.00 10.12 C ATOM 1549 OE1 GLU A 92 0.314 6.834 -8.040 1.00 32.21 O ATOM 1550 OE2 GLU A 92 -0.368 6.387 -6.016 1.00 50.53 O ATOM 0 H GLU A 92 4.210 3.252 -6.566 1.00 12.41 H new ATOM 0 HA GLU A 92 1.564 2.275 -6.395 1.00 2.11 H new ATOM 0 HB2 GLU A 92 2.170 4.607 -5.972 1.00 74.53 H new ATOM 0 HB3 GLU A 92 2.590 4.810 -7.662 1.00 74.53 H new ATOM 0 HG2 GLU A 92 0.284 4.316 -8.336 1.00 24.40 H new ATOM 0 HG3 GLU A 92 -0.160 3.976 -6.675 1.00 24.40 H new ATOM 1557 N ALA A 93 3.013 2.162 -9.329 1.00 12.42 N ATOM 1558 CA ALA A 93 2.851 1.566 -10.660 1.00 33.04 C ATOM 1559 C ALA A 93 2.449 0.100 -10.537 1.00 30.12 C ATOM 1560 O ALA A 93 1.597 -0.389 -11.283 1.00 32.34 O ATOM 1561 CB ALA A 93 4.122 1.697 -11.488 1.00 1.31 C ATOM 0 H ALA A 93 3.945 2.528 -9.134 1.00 12.42 H new ATOM 0 HA ALA A 93 2.060 2.110 -11.175 1.00 33.04 H new ATOM 0 HB1 ALA A 93 3.966 1.245 -12.468 1.00 1.31 H new ATOM 0 HB2 ALA A 93 4.370 2.751 -11.610 1.00 1.31 H new ATOM 0 HB3 ALA A 93 4.941 1.188 -10.980 1.00 1.31 H new ATOM 1567 N TYR A 94 3.050 -0.598 -9.583 1.00 42.42 N ATOM 1568 CA TYR A 94 2.686 -1.983 -9.353 1.00 14.00 C ATOM 1569 C TYR A 94 1.332 -2.137 -8.665 1.00 3.33 C ATOM 1570 O TYR A 94 0.548 -3.007 -9.044 1.00 22.51 O ATOM 1571 CB TYR A 94 3.778 -2.771 -8.621 1.00 73.13 C ATOM 1572 CG TYR A 94 5.014 -3.033 -9.462 1.00 65.03 C ATOM 1573 CD1 TYR A 94 6.071 -2.147 -9.481 1.00 10.21 C ATOM 1574 CD2 TYR A 94 5.114 -4.180 -10.234 1.00 75.44 C ATOM 1575 CE1 TYR A 94 7.193 -2.386 -10.247 1.00 3.33 C ATOM 1576 CE2 TYR A 94 6.231 -4.430 -11.001 1.00 32.52 C ATOM 1577 CZ TYR A 94 7.268 -3.529 -11.002 1.00 14.00 C ATOM 1578 OH TYR A 94 8.385 -3.770 -11.764 1.00 21.21 O ATOM 0 H TYR A 94 3.778 -0.234 -8.968 1.00 42.42 H new ATOM 0 HA TYR A 94 2.587 -2.422 -10.346 1.00 14.00 H new ATOM 0 HB2 TYR A 94 4.069 -2.223 -7.725 1.00 73.13 H new ATOM 0 HB3 TYR A 94 3.366 -3.725 -8.291 1.00 73.13 H new ATOM 0 HD1 TYR A 94 6.019 -1.248 -8.884 1.00 10.21 H new ATOM 0 HD2 TYR A 94 4.301 -4.891 -10.234 1.00 75.44 H new ATOM 0 HE1 TYR A 94 8.008 -1.677 -10.252 1.00 3.33 H new ATOM 0 HE2 TYR A 94 6.291 -5.328 -11.597 1.00 32.52 H new ATOM 0 HH TYR A 94 8.281 -4.622 -12.237 1.00 21.21 H new ATOM 1588 N ILE A 95 1.068 -1.320 -7.652 1.00 23.35 N ATOM 1589 CA ILE A 95 -0.209 -1.396 -6.914 1.00 3.32 C ATOM 1590 C ILE A 95 -1.384 -0.885 -7.759 1.00 1.01 C ATOM 1591 O ILE A 95 -2.378 -1.566 -7.917 1.00 72.55 O ATOM 1592 CB ILE A 95 -0.154 -0.655 -5.550 1.00 2.12 C ATOM 1593 CG1 ILE A 95 0.991 -1.213 -4.686 1.00 42.31 C ATOM 1594 CG2 ILE A 95 -1.490 -0.789 -4.804 1.00 65.41 C ATOM 1595 CD1 ILE A 95 0.876 -2.696 -4.357 1.00 15.54 C ATOM 0 H ILE A 95 1.708 -0.600 -7.317 1.00 23.35 H new ATOM 0 HA ILE A 95 -0.374 -2.453 -6.703 1.00 3.32 H new ATOM 0 HB ILE A 95 0.030 0.402 -5.743 1.00 2.12 H new ATOM 0 HG12 ILE A 95 1.935 -1.042 -5.203 1.00 42.31 H new ATOM 0 HG13 ILE A 95 1.032 -0.650 -3.754 1.00 42.31 H new ATOM 0 HG21 ILE A 95 -1.429 -0.263 -3.851 1.00 65.41 H new ATOM 0 HG22 ILE A 95 -2.288 -0.357 -5.407 1.00 65.41 H new ATOM 0 HG23 ILE A 95 -1.702 -1.843 -4.623 1.00 65.41 H new ATOM 0 HD11 ILE A 95 1.726 -3.000 -3.746 1.00 15.54 H new ATOM 0 HD12 ILE A 95 -0.049 -2.876 -3.809 1.00 15.54 H new ATOM 0 HD13 ILE A 95 0.869 -3.274 -5.281 1.00 15.54 H new ATOM 1607 N GLN A 96 -1.243 0.310 -8.327 1.00 61.44 N ATOM 1608 CA GLN A 96 -2.291 0.887 -9.167 1.00 12.11 C ATOM 1609 C GLN A 96 -2.504 0.006 -10.385 1.00 54.41 C ATOM 1610 O GLN A 96 -3.613 -0.091 -10.897 1.00 65.51 O ATOM 1611 CB GLN A 96 -1.954 2.337 -9.579 1.00 33.33 C ATOM 1612 CG GLN A 96 -2.977 2.989 -10.510 1.00 73.11 C ATOM 1613 CD GLN A 96 -4.366 3.098 -9.911 1.00 23.23 C ATOM 1614 OE1 GLN A 96 -4.537 3.237 -8.699 1.00 0.13 O ATOM 1615 NE2 GLN A 96 -5.365 3.025 -10.747 1.00 13.01 N ATOM 0 H GLN A 96 -0.416 0.897 -8.222 1.00 61.44 H new ATOM 0 HA GLN A 96 -3.216 0.929 -8.592 1.00 12.11 H new ATOM 0 HB2 GLN A 96 -1.863 2.945 -8.679 1.00 33.33 H new ATOM 0 HB3 GLN A 96 -0.980 2.345 -10.069 1.00 33.33 H new ATOM 0 HG2 GLN A 96 -2.627 3.986 -10.778 1.00 73.11 H new ATOM 0 HG3 GLN A 96 -3.034 2.413 -11.433 1.00 73.11 H new ATOM 0 HE21 GLN A 96 -5.188 2.910 -11.745 1.00 13.01 H new ATOM 0 HE22 GLN A 96 -6.323 3.083 -10.403 1.00 13.01 H new ATOM 1624 N GLY A 97 -1.426 -0.650 -10.824 1.00 15.14 N ATOM 1625 CA GLY A 97 -1.519 -1.588 -11.904 1.00 34.34 C ATOM 1626 C GLY A 97 -2.495 -2.691 -11.573 1.00 70.22 C ATOM 1627 O GLY A 97 -3.468 -2.875 -12.272 1.00 44.43 O ATOM 0 H GLY A 97 -0.489 -0.537 -10.438 1.00 15.14 H new ATOM 0 HA2 GLY A 97 -1.837 -1.075 -12.811 1.00 34.34 H new ATOM 0 HA3 GLY A 97 -0.537 -2.014 -12.107 1.00 34.34 H new ATOM 1631 N ILE A 98 -2.261 -3.389 -10.461 1.00 40.51 N ATOM 1632 CA ILE A 98 -3.147 -4.480 -10.034 1.00 30.41 C ATOM 1633 C ILE A 98 -4.521 -3.997 -9.622 1.00 53.21 C ATOM 1634 O ILE A 98 -5.533 -4.687 -9.851 1.00 1.44 O ATOM 1635 CB ILE A 98 -2.517 -5.407 -8.973 1.00 12.31 C ATOM 1636 CG1 ILE A 98 -1.911 -4.626 -7.813 1.00 10.04 C ATOM 1637 CG2 ILE A 98 -1.505 -6.281 -9.605 1.00 22.33 C ATOM 1638 CD1 ILE A 98 -1.256 -5.489 -6.751 1.00 22.53 C ATOM 0 H ILE A 98 -1.469 -3.222 -9.840 1.00 40.51 H new ATOM 0 HA ILE A 98 -3.285 -5.094 -10.924 1.00 30.41 H new ATOM 0 HB ILE A 98 -3.313 -6.024 -8.555 1.00 12.31 H new ATOM 0 HG12 ILE A 98 -1.170 -3.931 -8.207 1.00 10.04 H new ATOM 0 HG13 ILE A 98 -2.693 -4.027 -7.346 1.00 10.04 H new ATOM 0 HG21 ILE A 98 -1.065 -6.932 -8.850 1.00 22.33 H new ATOM 0 HG22 ILE A 98 -1.979 -6.888 -10.376 1.00 22.33 H new ATOM 0 HG23 ILE A 98 -0.724 -5.668 -10.055 1.00 22.33 H new ATOM 0 HD11 ILE A 98 -0.851 -4.853 -5.964 1.00 22.53 H new ATOM 0 HD12 ILE A 98 -1.996 -6.167 -6.325 1.00 22.53 H new ATOM 0 HD13 ILE A 98 -0.449 -6.068 -7.200 1.00 22.53 H new ATOM 1650 N LEU A 99 -4.569 -2.812 -9.063 1.00 42.13 N ATOM 1651 CA LEU A 99 -5.811 -2.171 -8.719 1.00 53.03 C ATOM 1652 C LEU A 99 -6.645 -1.886 -9.982 1.00 53.34 C ATOM 1653 O LEU A 99 -7.876 -1.924 -9.954 1.00 24.21 O ATOM 1654 CB LEU A 99 -5.535 -0.925 -7.781 1.00 42.01 C ATOM 1655 CG LEU A 99 -6.688 0.019 -7.388 1.00 51.22 C ATOM 1656 CD1 LEU A 99 -7.086 0.927 -8.523 1.00 11.11 C ATOM 1657 CD2 LEU A 99 -7.880 -0.762 -6.875 1.00 21.54 C ATOM 0 H LEU A 99 -3.741 -2.263 -8.833 1.00 42.13 H new ATOM 0 HA LEU A 99 -6.439 -2.838 -8.128 1.00 53.03 H new ATOM 0 HB2 LEU A 99 -5.100 -1.306 -6.857 1.00 42.01 H new ATOM 0 HB3 LEU A 99 -4.771 -0.318 -8.267 1.00 42.01 H new ATOM 0 HG LEU A 99 -6.323 0.653 -6.580 1.00 51.22 H new ATOM 0 HD11 LEU A 99 -7.902 1.575 -8.202 1.00 11.11 H new ATOM 0 HD12 LEU A 99 -6.232 1.537 -8.817 1.00 11.11 H new ATOM 0 HD13 LEU A 99 -7.413 0.326 -9.372 1.00 11.11 H new ATOM 0 HD21 LEU A 99 -8.679 -0.071 -6.605 1.00 21.54 H new ATOM 0 HD22 LEU A 99 -8.233 -1.439 -7.653 1.00 21.54 H new ATOM 0 HD23 LEU A 99 -7.587 -1.339 -5.998 1.00 21.54 H new ATOM 1669 N TYR A 100 -5.975 -1.657 -11.079 1.00 21.14 N ATOM 1670 CA TYR A 100 -6.625 -1.422 -12.351 1.00 32.11 C ATOM 1671 C TYR A 100 -6.798 -2.753 -13.140 1.00 63.52 C ATOM 1672 O TYR A 100 -7.590 -2.836 -14.091 1.00 71.13 O ATOM 1673 CB TYR A 100 -5.794 -0.397 -13.154 1.00 45.01 C ATOM 1674 CG TYR A 100 -6.327 -0.061 -14.525 1.00 74.43 C ATOM 1675 CD1 TYR A 100 -7.380 0.827 -14.687 1.00 32.02 C ATOM 1676 CD2 TYR A 100 -5.771 -0.638 -15.657 1.00 42.32 C ATOM 1677 CE1 TYR A 100 -7.865 1.127 -15.943 1.00 72.05 C ATOM 1678 CE2 TYR A 100 -6.246 -0.347 -16.905 1.00 20.42 C ATOM 1679 CZ TYR A 100 -7.292 0.537 -17.051 1.00 44.54 C ATOM 1680 OH TYR A 100 -7.777 0.824 -18.317 1.00 12.12 O ATOM 0 H TYR A 100 -4.956 -1.627 -11.121 1.00 21.14 H new ATOM 0 HA TYR A 100 -7.624 -1.019 -12.182 1.00 32.11 H new ATOM 0 HB2 TYR A 100 -5.726 0.523 -12.574 1.00 45.01 H new ATOM 0 HB3 TYR A 100 -4.780 -0.782 -13.262 1.00 45.01 H new ATOM 0 HD1 TYR A 100 -7.826 1.289 -13.819 1.00 32.02 H new ATOM 0 HD2 TYR A 100 -4.948 -1.329 -15.550 1.00 42.32 H new ATOM 0 HE1 TYR A 100 -8.687 1.818 -16.058 1.00 72.05 H new ATOM 0 HE2 TYR A 100 -5.802 -0.809 -17.774 1.00 20.42 H new ATOM 0 HH TYR A 100 -7.261 0.326 -18.985 1.00 12.12 H new ATOM 1690 N LEU A 101 -6.086 -3.780 -12.730 1.00 60.11 N ATOM 1691 CA LEU A 101 -6.099 -5.056 -13.444 1.00 72.22 C ATOM 1692 C LEU A 101 -7.259 -5.943 -13.128 1.00 60.43 C ATOM 1693 O LEU A 101 -8.033 -6.307 -14.019 1.00 61.12 O ATOM 1694 CB LEU A 101 -4.853 -5.861 -13.139 1.00 52.23 C ATOM 1695 CG LEU A 101 -3.543 -5.387 -13.758 1.00 34.14 C ATOM 1696 CD1 LEU A 101 -2.420 -6.249 -13.273 1.00 12.23 C ATOM 1697 CD2 LEU A 101 -3.607 -5.474 -15.266 1.00 55.44 C ATOM 0 H LEU A 101 -5.487 -3.765 -11.905 1.00 60.11 H new ATOM 0 HA LEU A 101 -6.163 -4.762 -14.492 1.00 72.22 H new ATOM 0 HB2 LEU A 101 -4.725 -5.886 -12.057 1.00 52.23 H new ATOM 0 HB3 LEU A 101 -5.027 -6.887 -13.463 1.00 52.23 H new ATOM 0 HG LEU A 101 -3.377 -4.350 -13.465 1.00 34.14 H new ATOM 0 HD11 LEU A 101 -1.484 -5.910 -13.716 1.00 12.23 H new ATOM 0 HD12 LEU A 101 -2.353 -6.182 -12.187 1.00 12.23 H new ATOM 0 HD13 LEU A 101 -2.604 -7.284 -13.562 1.00 12.23 H new ATOM 0 HD21 LEU A 101 -2.663 -5.132 -15.691 1.00 55.44 H new ATOM 0 HD22 LEU A 101 -3.785 -6.507 -15.564 1.00 55.44 H new ATOM 0 HD23 LEU A 101 -4.419 -4.846 -15.633 1.00 55.44 H new ATOM 1709 N ASN A 102 -7.409 -6.300 -11.891 1.00 31.32 N ATOM 1710 CA ASN A 102 -8.340 -7.349 -11.610 1.00 70.31 C ATOM 1711 C ASN A 102 -9.088 -7.088 -10.330 1.00 65.04 C ATOM 1712 O ASN A 102 -10.155 -6.470 -10.359 1.00 20.45 O ATOM 1713 CB ASN A 102 -7.573 -8.668 -11.579 1.00 34.02 C ATOM 1714 CG ASN A 102 -8.422 -9.908 -11.676 1.00 34.10 C ATOM 1715 OD1 ASN A 102 -9.513 -9.843 -12.409 1.00 32.21 O flip ATOM 1716 ND2 ASN A 102 -8.063 -10.942 -11.125 1.00 53.10 N flip ATOM 0 H ASN A 102 -6.922 -5.901 -11.089 1.00 31.32 H new ATOM 0 HA ASN A 102 -9.100 -7.398 -12.390 1.00 70.31 H new ATOM 0 HB2 ASN A 102 -6.857 -8.672 -12.401 1.00 34.02 H new ATOM 0 HB3 ASN A 102 -6.997 -8.713 -10.655 1.00 34.02 H new ATOM 0 HD21 ASN A 102 -7.211 -10.952 -10.565 1.00 53.10 H new ATOM 0 HD22 ASN A 102 -8.617 -11.793 -11.227 1.00 53.10 H new ATOM 1723 N GLN A 103 -8.538 -7.501 -9.204 1.00 52.12 N ATOM 1724 CA GLN A 103 -9.170 -7.177 -7.952 1.00 35.14 C ATOM 1725 C GLN A 103 -8.187 -6.978 -6.829 1.00 54.30 C ATOM 1726 O GLN A 103 -7.927 -7.891 -6.044 1.00 11.23 O ATOM 1727 CB GLN A 103 -10.378 -8.089 -7.510 1.00 5.33 C ATOM 1728 CG GLN A 103 -10.078 -9.568 -7.185 1.00 54.25 C ATOM 1729 CD GLN A 103 -9.830 -10.424 -8.384 1.00 4.04 C ATOM 1730 OE1 GLN A 103 -10.380 -10.185 -9.440 1.00 31.13 O ATOM 1731 NE2 GLN A 103 -9.012 -11.430 -8.229 1.00 34.21 N ATOM 0 H GLN A 103 -7.679 -8.046 -9.135 1.00 52.12 H new ATOM 0 HA GLN A 103 -9.636 -6.217 -8.176 1.00 35.14 H new ATOM 0 HB2 GLN A 103 -10.834 -7.638 -6.629 1.00 5.33 H new ATOM 0 HB3 GLN A 103 -11.125 -8.065 -8.304 1.00 5.33 H new ATOM 0 HG2 GLN A 103 -9.205 -9.615 -6.533 1.00 54.25 H new ATOM 0 HG3 GLN A 103 -10.917 -9.982 -6.625 1.00 54.25 H new ATOM 0 HE21 GLN A 103 -8.571 -11.594 -7.324 1.00 34.21 H new ATOM 0 HE22 GLN A 103 -8.814 -12.052 -9.013 1.00 34.21 H new ATOM 1740 N GLU A 104 -7.565 -5.816 -6.822 1.00 70.12 N ATOM 1741 CA GLU A 104 -6.777 -5.368 -5.671 1.00 52.15 C ATOM 1742 C GLU A 104 -7.612 -5.462 -4.355 1.00 12.43 C ATOM 1743 O GLU A 104 -8.855 -5.593 -4.388 1.00 2.10 O ATOM 1744 CB GLU A 104 -6.263 -3.939 -5.921 1.00 2.42 C ATOM 1745 CG GLU A 104 -5.458 -3.287 -4.794 1.00 41.32 C ATOM 1746 CD GLU A 104 -4.203 -4.056 -4.422 1.00 3.51 C ATOM 1747 OE1 GLU A 104 -4.309 -4.991 -3.595 1.00 21.04 O ATOM 1748 OE2 GLU A 104 -3.133 -3.727 -4.929 1.00 52.01 O ATOM 0 H GLU A 104 -7.585 -5.156 -7.600 1.00 70.12 H new ATOM 0 HA GLU A 104 -5.915 -6.024 -5.548 1.00 52.15 H new ATOM 0 HB2 GLU A 104 -5.643 -3.953 -6.817 1.00 2.42 H new ATOM 0 HB3 GLU A 104 -7.121 -3.303 -6.137 1.00 2.42 H new ATOM 0 HG2 GLU A 104 -5.180 -2.277 -5.095 1.00 41.32 H new ATOM 0 HG3 GLU A 104 -6.092 -3.194 -3.912 1.00 41.32 H new ATOM 1755 N VAL A 105 -6.903 -5.392 -3.259 1.00 35.43 N ATOM 1756 CA VAL A 105 -7.326 -5.571 -1.883 1.00 71.42 C ATOM 1757 C VAL A 105 -7.633 -7.026 -1.535 1.00 20.40 C ATOM 1758 O VAL A 105 -8.793 -7.443 -1.369 1.00 40.05 O ATOM 1759 CB VAL A 105 -8.311 -4.521 -1.223 1.00 0.21 C ATOM 1760 CG1 VAL A 105 -9.706 -4.503 -1.831 1.00 33.00 C ATOM 1761 CG2 VAL A 105 -8.372 -4.755 0.281 1.00 61.52 C ATOM 0 H VAL A 105 -5.905 -5.186 -3.308 1.00 35.43 H new ATOM 0 HA VAL A 105 -6.413 -5.285 -1.361 1.00 71.42 H new ATOM 0 HB VAL A 105 -7.900 -3.533 -1.433 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -10.315 -3.757 -1.321 1.00 33.00 H new ATOM 0 HG12 VAL A 105 -9.638 -4.254 -2.890 1.00 33.00 H new ATOM 0 HG13 VAL A 105 -10.165 -5.485 -1.718 1.00 33.00 H new ATOM 0 HG21 VAL A 105 -9.050 -4.032 0.735 1.00 61.52 H new ATOM 0 HG22 VAL A 105 -8.733 -5.764 0.478 1.00 61.52 H new ATOM 0 HG23 VAL A 105 -7.376 -4.636 0.708 1.00 61.52 H new ATOM 1771 N PRO A 106 -6.576 -7.835 -1.506 1.00 21.25 N ATOM 1772 CA PRO A 106 -6.635 -9.232 -1.172 1.00 44.13 C ATOM 1773 C PRO A 106 -6.587 -9.471 0.326 1.00 31.14 C ATOM 1774 O PRO A 106 -6.131 -8.594 1.106 1.00 54.14 O ATOM 1775 CB PRO A 106 -5.393 -9.790 -1.830 1.00 43.11 C ATOM 1776 CG PRO A 106 -4.401 -8.703 -1.711 1.00 61.33 C ATOM 1777 CD PRO A 106 -5.179 -7.436 -1.851 1.00 24.33 C ATOM 0 HA PRO A 106 -7.564 -9.695 -1.504 1.00 44.13 H new ATOM 0 HB2 PRO A 106 -5.052 -10.697 -1.332 1.00 43.11 H new ATOM 0 HB3 PRO A 106 -5.577 -10.049 -2.873 1.00 43.11 H new ATOM 0 HG2 PRO A 106 -3.887 -8.744 -0.751 1.00 61.33 H new ATOM 0 HG3 PRO A 106 -3.637 -8.782 -2.485 1.00 61.33 H new ATOM 0 HD2 PRO A 106 -4.807 -6.662 -1.180 1.00 24.33 H new ATOM 0 HD3 PRO A 106 -5.115 -7.037 -2.864 1.00 24.33 H new ATOM 1785 N LYS A 107 -7.078 -10.633 0.730 1.00 54.35 N ATOM 1786 CA LYS A 107 -7.062 -11.099 2.118 1.00 42.50 C ATOM 1787 C LYS A 107 -5.664 -10.925 2.760 1.00 12.12 C ATOM 1788 O LYS A 107 -5.547 -10.830 3.962 1.00 71.12 O ATOM 1789 CB LYS A 107 -7.589 -12.582 2.175 1.00 15.24 C ATOM 1790 CG LYS A 107 -7.569 -13.297 3.555 1.00 51.24 C ATOM 1791 CD LYS A 107 -6.170 -13.793 3.970 1.00 21.04 C ATOM 1792 CE LYS A 107 -5.685 -14.925 3.076 1.00 34.05 C ATOM 1793 NZ LYS A 107 -4.310 -15.360 3.403 1.00 41.53 N ATOM 0 H LYS A 107 -7.511 -11.298 0.089 1.00 54.35 H new ATOM 0 HA LYS A 107 -7.733 -10.484 2.717 1.00 42.50 H new ATOM 0 HB2 LYS A 107 -8.615 -12.589 1.807 1.00 15.24 H new ATOM 0 HB3 LYS A 107 -6.997 -13.177 1.479 1.00 15.24 H new ATOM 0 HG2 LYS A 107 -7.943 -12.612 4.316 1.00 51.24 H new ATOM 0 HG3 LYS A 107 -8.253 -14.145 3.526 1.00 51.24 H new ATOM 0 HD2 LYS A 107 -5.462 -12.965 3.925 1.00 21.04 H new ATOM 0 HD3 LYS A 107 -6.197 -14.133 5.005 1.00 21.04 H new ATOM 0 HE2 LYS A 107 -6.363 -15.774 3.171 1.00 34.05 H new ATOM 0 HE3 LYS A 107 -5.722 -14.602 2.036 1.00 34.05 H new ATOM 0 HZ1 LYS A 107 -4.085 -16.226 2.873 1.00 41.53 H new ATOM 0 HZ2 LYS A 107 -3.638 -14.610 3.143 1.00 41.53 H new ATOM 0 HZ3 LYS A 107 -4.239 -15.550 4.423 1.00 41.53 H new ATOM 1807 N GLU A 108 -4.627 -10.860 1.944 1.00 44.35 N ATOM 1808 CA GLU A 108 -3.269 -10.646 2.419 1.00 61.15 C ATOM 1809 C GLU A 108 -3.083 -9.429 3.272 1.00 74.22 C ATOM 1810 O GLU A 108 -2.338 -9.492 4.222 1.00 15.12 O ATOM 1811 CB GLU A 108 -2.267 -10.698 1.311 1.00 62.33 C ATOM 1812 CG GLU A 108 -2.165 -12.070 0.786 1.00 74.30 C ATOM 1813 CD GLU A 108 -1.721 -13.027 1.842 1.00 11.53 C ATOM 1814 OE1 GLU A 108 -0.584 -12.915 2.310 1.00 51.44 O ATOM 1815 OE2 GLU A 108 -2.506 -13.896 2.230 1.00 2.13 O ATOM 0 H GLU A 108 -4.702 -10.954 0.931 1.00 44.35 H new ATOM 0 HA GLU A 108 -3.083 -11.489 3.085 1.00 61.15 H new ATOM 0 HB2 GLU A 108 -2.560 -10.016 0.513 1.00 62.33 H new ATOM 0 HB3 GLU A 108 -1.294 -10.366 1.674 1.00 62.33 H new ATOM 0 HG2 GLU A 108 -3.132 -12.383 0.393 1.00 74.30 H new ATOM 0 HG3 GLU A 108 -1.461 -12.091 -0.046 1.00 74.30 H new ATOM 1822 N LEU A 109 -3.751 -8.325 2.976 1.00 75.04 N ATOM 1823 CA LEU A 109 -3.625 -7.172 3.872 1.00 71.42 C ATOM 1824 C LEU A 109 -4.324 -7.468 5.175 1.00 61.33 C ATOM 1825 O LEU A 109 -3.883 -7.067 6.243 1.00 24.30 O ATOM 1826 CB LEU A 109 -4.127 -5.841 3.271 1.00 24.45 C ATOM 1827 CG LEU A 109 -3.317 -5.228 2.117 1.00 54.25 C ATOM 1828 CD1 LEU A 109 -1.853 -5.064 2.493 1.00 11.22 C ATOM 1829 CD2 LEU A 109 -3.476 -6.014 0.843 1.00 21.33 C ATOM 0 H LEU A 109 -4.358 -8.197 2.166 1.00 75.04 H new ATOM 0 HA LEU A 109 -2.558 -7.024 4.038 1.00 71.42 H new ATOM 0 HB2 LEU A 109 -5.147 -5.995 2.920 1.00 24.45 H new ATOM 0 HB3 LEU A 109 -4.174 -5.107 4.075 1.00 24.45 H new ATOM 0 HG LEU A 109 -3.721 -4.233 1.931 1.00 54.25 H new ATOM 0 HD11 LEU A 109 -1.309 -4.628 1.655 1.00 11.22 H new ATOM 0 HD12 LEU A 109 -1.771 -4.408 3.360 1.00 11.22 H new ATOM 0 HD13 LEU A 109 -1.428 -6.038 2.734 1.00 11.22 H new ATOM 0 HD21 LEU A 109 -2.888 -5.548 0.052 1.00 21.33 H new ATOM 0 HD22 LEU A 109 -3.129 -7.035 1.000 1.00 21.33 H new ATOM 0 HD23 LEU A 109 -4.527 -6.029 0.553 1.00 21.33 H new ATOM 1841 N LEU A 110 -5.385 -8.222 5.075 1.00 3.01 N ATOM 1842 CA LEU A 110 -6.159 -8.640 6.217 1.00 42.44 C ATOM 1843 C LEU A 110 -5.359 -9.597 7.085 1.00 62.34 C ATOM 1844 O LEU A 110 -5.427 -9.546 8.302 1.00 33.41 O ATOM 1845 CB LEU A 110 -7.518 -9.261 5.793 1.00 74.23 C ATOM 1846 CG LEU A 110 -8.592 -8.318 5.172 1.00 54.30 C ATOM 1847 CD1 LEU A 110 -8.133 -7.668 3.872 1.00 33.42 C ATOM 1848 CD2 LEU A 110 -9.887 -9.075 4.951 1.00 11.15 C ATOM 0 H LEU A 110 -5.743 -8.570 4.185 1.00 3.01 H new ATOM 0 HA LEU A 110 -6.385 -7.753 6.809 1.00 42.44 H new ATOM 0 HB2 LEU A 110 -7.313 -10.053 5.073 1.00 74.23 H new ATOM 0 HB3 LEU A 110 -7.957 -9.734 6.671 1.00 74.23 H new ATOM 0 HG LEU A 110 -8.754 -7.511 5.886 1.00 54.30 H new ATOM 0 HD11 LEU A 110 -8.924 -7.023 3.489 1.00 33.42 H new ATOM 0 HD12 LEU A 110 -7.239 -7.074 4.058 1.00 33.42 H new ATOM 0 HD13 LEU A 110 -7.908 -8.442 3.138 1.00 33.42 H new ATOM 0 HD21 LEU A 110 -10.630 -8.406 4.517 1.00 11.15 H new ATOM 0 HD22 LEU A 110 -9.709 -9.909 4.273 1.00 11.15 H new ATOM 0 HD23 LEU A 110 -10.254 -9.455 5.905 1.00 11.15 H new ATOM 1860 N GLU A 111 -4.622 -10.451 6.457 1.00 14.41 N ATOM 1861 CA GLU A 111 -3.780 -11.374 7.157 1.00 43.01 C ATOM 1862 C GLU A 111 -2.499 -10.680 7.657 1.00 43.22 C ATOM 1863 O GLU A 111 -2.065 -10.912 8.784 1.00 0.23 O ATOM 1864 CB GLU A 111 -3.467 -12.578 6.270 1.00 51.11 C ATOM 1865 CG GLU A 111 -2.683 -13.682 6.956 1.00 32.33 C ATOM 1866 CD GLU A 111 -2.506 -14.882 6.067 1.00 35.44 C ATOM 1867 OE1 GLU A 111 -3.475 -15.667 5.923 1.00 20.22 O ATOM 1868 OE2 GLU A 111 -1.419 -15.066 5.498 1.00 13.01 O ATOM 0 H GLU A 111 -4.584 -10.532 5.441 1.00 14.41 H new ATOM 0 HA GLU A 111 -4.310 -11.737 8.037 1.00 43.01 H new ATOM 0 HB2 GLU A 111 -4.404 -12.993 5.899 1.00 51.11 H new ATOM 0 HB3 GLU A 111 -2.904 -12.236 5.402 1.00 51.11 H new ATOM 0 HG2 GLU A 111 -1.705 -13.302 7.252 1.00 32.33 H new ATOM 0 HG3 GLU A 111 -3.199 -13.980 7.869 1.00 32.33 H new ATOM 1875 N PHE A 112 -1.932 -9.782 6.837 1.00 42.42 N ATOM 1876 CA PHE A 112 -0.638 -9.161 7.184 1.00 65.14 C ATOM 1877 C PHE A 112 -0.801 -8.082 8.238 1.00 34.25 C ATOM 1878 O PHE A 112 -0.149 -8.112 9.286 1.00 61.31 O ATOM 1879 CB PHE A 112 0.081 -8.571 5.939 1.00 13.41 C ATOM 1880 CG PHE A 112 1.463 -8.052 6.236 1.00 44.44 C ATOM 1881 CD1 PHE A 112 2.542 -8.918 6.287 1.00 64.31 C ATOM 1882 CD2 PHE A 112 1.683 -6.705 6.466 1.00 25.43 C ATOM 1883 CE1 PHE A 112 3.809 -8.450 6.566 1.00 54.54 C ATOM 1884 CE2 PHE A 112 2.944 -6.232 6.744 1.00 43.41 C ATOM 1885 CZ PHE A 112 4.009 -7.107 6.796 1.00 13.32 C ATOM 0 H PHE A 112 -2.333 -9.474 5.951 1.00 42.42 H new ATOM 0 HA PHE A 112 -0.017 -9.959 7.591 1.00 65.14 H new ATOM 0 HB2 PHE A 112 0.147 -9.340 5.169 1.00 13.41 H new ATOM 0 HB3 PHE A 112 -0.523 -7.761 5.530 1.00 13.41 H new ATOM 0 HD1 PHE A 112 2.390 -9.972 6.106 1.00 64.31 H new ATOM 0 HD2 PHE A 112 0.853 -6.016 6.427 1.00 25.43 H new ATOM 0 HE1 PHE A 112 4.643 -9.135 6.604 1.00 54.54 H new ATOM 0 HE2 PHE A 112 3.100 -5.178 6.921 1.00 43.41 H new ATOM 0 HZ PHE A 112 5.000 -6.739 7.017 1.00 13.32 H new ATOM 1895 N LEU A 113 -1.677 -7.152 7.964 1.00 1.10 N ATOM 1896 CA LEU A 113 -1.880 -5.993 8.819 1.00 11.21 C ATOM 1897 C LEU A 113 -2.978 -6.272 9.827 1.00 70.32 C ATOM 1898 O LEU A 113 -3.380 -5.375 10.568 1.00 40.41 O ATOM 1899 CB LEU A 113 -2.326 -4.822 7.969 1.00 31.31 C ATOM 1900 CG LEU A 113 -1.433 -4.387 6.822 1.00 30.52 C ATOM 1901 CD1 LEU A 113 -2.194 -3.383 5.976 1.00 71.05 C ATOM 1902 CD2 LEU A 113 -0.147 -3.762 7.350 1.00 41.02 C ATOM 0 H LEU A 113 -2.277 -7.169 7.139 1.00 1.10 H new ATOM 0 HA LEU A 113 -0.945 -5.772 9.334 1.00 11.21 H new ATOM 0 HB2 LEU A 113 -3.305 -5.065 7.555 1.00 31.31 H new ATOM 0 HB3 LEU A 113 -2.462 -3.965 8.628 1.00 31.31 H new ATOM 0 HG LEU A 113 -1.161 -5.254 6.220 1.00 30.52 H new ATOM 0 HD11 LEU A 113 -1.567 -3.058 5.145 1.00 71.05 H new ATOM 0 HD12 LEU A 113 -3.100 -3.848 5.587 1.00 71.05 H new ATOM 0 HD13 LEU A 113 -2.462 -2.521 6.587 1.00 71.05 H new ATOM 0 HD21 LEU A 113 0.480 -3.457 6.512 1.00 41.02 H new ATOM 0 HD22 LEU A 113 -0.389 -2.891 7.959 1.00 41.02 H new ATOM 0 HD23 LEU A 113 0.389 -4.491 7.957 1.00 41.02 H new ATOM 1914 N ARG A 114 -3.485 -7.513 9.826 1.00 4.44 N ATOM 1915 CA ARG A 114 -4.564 -7.923 10.724 1.00 73.25 C ATOM 1916 C ARG A 114 -5.875 -7.164 10.347 1.00 24.22 C ATOM 1917 O ARG A 114 -6.741 -6.914 11.175 1.00 23.43 O ATOM 1918 CB ARG A 114 -4.128 -7.689 12.205 1.00 13.40 C ATOM 1919 CG ARG A 114 -5.122 -8.106 13.271 1.00 61.02 C ATOM 1920 CD ARG A 114 -4.562 -7.860 14.651 1.00 45.21 C ATOM 1921 NE ARG A 114 -5.528 -8.185 15.697 1.00 60.33 N ATOM 1922 CZ ARG A 114 -5.213 -8.542 16.946 1.00 2.34 C ATOM 1923 NH1 ARG A 114 -3.930 -8.691 17.312 1.00 64.21 N ATOM 1924 NH2 ARG A 114 -6.179 -8.761 17.823 1.00 54.21 N ATOM 0 H ARG A 114 -3.158 -8.254 9.205 1.00 4.44 H new ATOM 0 HA ARG A 114 -4.770 -8.988 10.616 1.00 73.25 H new ATOM 0 HB2 ARG A 114 -3.196 -8.228 12.377 1.00 13.40 H new ATOM 0 HB3 ARG A 114 -3.912 -6.629 12.335 1.00 13.40 H new ATOM 0 HG2 ARG A 114 -6.051 -7.550 13.146 1.00 61.02 H new ATOM 0 HG3 ARG A 114 -5.365 -9.162 13.155 1.00 61.02 H new ATOM 0 HD2 ARG A 114 -3.662 -8.459 14.789 1.00 45.21 H new ATOM 0 HD3 ARG A 114 -4.267 -6.815 14.742 1.00 45.21 H new ATOM 0 HE ARG A 114 -6.518 -8.136 15.456 1.00 60.33 H new ATOM 0 HH11 ARG A 114 -3.185 -8.531 16.634 1.00 64.21 H new ATOM 0 HH12 ARG A 114 -3.701 -8.964 18.268 1.00 64.21 H new ATOM 0 HH21 ARG A 114 -7.155 -8.657 17.544 1.00 54.21 H new ATOM 0 HH22 ARG A 114 -5.948 -9.034 18.778 1.00 54.21 H new ATOM 1938 N LEU A 115 -6.036 -6.866 9.042 1.00 41.34 N ATOM 1939 CA LEU A 115 -7.235 -6.152 8.574 1.00 23.13 C ATOM 1940 C LEU A 115 -8.455 -7.091 8.529 1.00 62.42 C ATOM 1941 O LEU A 115 -9.519 -6.688 8.085 1.00 13.42 O ATOM 1942 CB LEU A 115 -7.058 -5.477 7.168 1.00 20.42 C ATOM 1943 CG LEU A 115 -5.833 -4.638 6.919 1.00 12.42 C ATOM 1944 CD1 LEU A 115 -5.965 -3.852 5.626 1.00 41.41 C ATOM 1945 CD2 LEU A 115 -5.488 -3.773 8.086 1.00 54.10 C ATOM 0 H LEU A 115 -5.366 -7.103 8.310 1.00 41.34 H new ATOM 0 HA LEU A 115 -7.397 -5.356 9.301 1.00 23.13 H new ATOM 0 HB2 LEU A 115 -7.076 -6.267 6.417 1.00 20.42 H new ATOM 0 HB3 LEU A 115 -7.931 -4.849 6.991 1.00 20.42 H new ATOM 0 HG LEU A 115 -4.990 -5.318 6.798 1.00 12.42 H new ATOM 0 HD11 LEU A 115 -5.067 -3.254 5.470 1.00 41.41 H new ATOM 0 HD12 LEU A 115 -6.091 -4.542 4.792 1.00 41.41 H new ATOM 0 HD13 LEU A 115 -6.832 -3.194 5.687 1.00 41.41 H new ATOM 0 HD21 LEU A 115 -4.597 -3.189 7.855 1.00 54.10 H new ATOM 0 HD22 LEU A 115 -6.319 -3.100 8.298 1.00 54.10 H new ATOM 0 HD23 LEU A 115 -5.296 -4.398 8.958 1.00 54.10 H new ATOM 1957 N ARG A 116 -8.277 -8.366 8.961 1.00 31.11 N ATOM 1958 CA ARG A 116 -9.403 -9.304 9.032 1.00 44.11 C ATOM 1959 C ARG A 116 -10.441 -8.728 9.947 1.00 0.03 C ATOM 1960 O ARG A 116 -10.097 -8.227 11.029 1.00 32.34 O ATOM 1961 CB ARG A 116 -8.991 -10.713 9.514 1.00 64.14 C ATOM 1962 CG ARG A 116 -8.054 -11.461 8.575 1.00 52.31 C ATOM 1963 CD ARG A 116 -7.815 -12.901 9.024 1.00 11.00 C ATOM 1964 NE ARG A 116 -7.186 -13.006 10.349 1.00 31.03 N ATOM 1965 CZ ARG A 116 -7.107 -14.143 11.074 1.00 11.22 C ATOM 1966 NH1 ARG A 116 -7.636 -15.282 10.609 1.00 11.23 N ATOM 1967 NH2 ARG A 116 -6.494 -14.137 12.252 1.00 74.12 N ATOM 0 H ARG A 116 -7.381 -8.752 9.257 1.00 31.11 H new ATOM 0 HA ARG A 116 -9.797 -9.433 8.024 1.00 44.11 H new ATOM 0 HB2 ARG A 116 -8.510 -10.622 10.488 1.00 64.14 H new ATOM 0 HB3 ARG A 116 -9.891 -11.310 9.658 1.00 64.14 H new ATOM 0 HG2 ARG A 116 -8.474 -11.461 7.569 1.00 52.31 H new ATOM 0 HG3 ARG A 116 -7.100 -10.936 8.522 1.00 52.31 H new ATOM 0 HD2 ARG A 116 -8.767 -13.431 9.040 1.00 11.00 H new ATOM 0 HD3 ARG A 116 -7.184 -13.402 8.290 1.00 11.00 H new ATOM 0 HE ARG A 116 -6.780 -12.160 10.749 1.00 31.03 H new ATOM 0 HH11 ARG A 116 -8.102 -15.295 9.702 1.00 11.23 H new ATOM 0 HH12 ARG A 116 -7.573 -16.137 11.162 1.00 11.23 H new ATOM 0 HH21 ARG A 116 -6.083 -13.274 12.609 1.00 74.12 H new ATOM 0 HH22 ARG A 116 -6.434 -14.995 12.800 1.00 74.12 H new ATOM 1981 N HIS A 117 -11.698 -8.778 9.520 1.00 65.10 N ATOM 1982 CA HIS A 117 -12.780 -8.124 10.233 1.00 33.22 C ATOM 1983 C HIS A 117 -12.518 -6.614 10.211 1.00 42.32 C ATOM 1984 O HIS A 117 -12.032 -6.024 11.180 1.00 12.43 O ATOM 1985 CB HIS A 117 -12.956 -8.686 11.677 1.00 73.50 C ATOM 1986 CG HIS A 117 -13.995 -8.000 12.506 1.00 71.54 C ATOM 1987 ND1 HIS A 117 -13.682 -7.160 13.549 1.00 23.12 N ATOM 1988 CD2 HIS A 117 -15.338 -8.045 12.461 1.00 24.50 C ATOM 1989 CE1 HIS A 117 -14.781 -6.719 14.102 1.00 33.42 C ATOM 1990 NE2 HIS A 117 -15.800 -7.240 13.461 1.00 53.02 N ATOM 0 H HIS A 117 -11.990 -9.270 8.676 1.00 65.10 H new ATOM 0 HA HIS A 117 -13.728 -8.330 9.737 1.00 33.22 H new ATOM 0 HB2 HIS A 117 -13.209 -9.744 11.609 1.00 73.50 H new ATOM 0 HB3 HIS A 117 -11.999 -8.619 12.195 1.00 73.50 H new ATOM 0 HD2 HIS A 117 -15.938 -8.612 11.764 1.00 24.50 H new ATOM 0 HE1 HIS A 117 -14.840 -6.042 14.942 1.00 33.42 H new ATOM 0 HE2 HIS A 117 -16.782 -7.070 13.676 1.00 53.02 H new ATOM 1999 N PHE A 118 -12.762 -6.027 9.071 1.00 2.53 N ATOM 2000 CA PHE A 118 -12.462 -4.640 8.846 1.00 62.10 C ATOM 2001 C PHE A 118 -13.738 -3.800 8.846 1.00 70.32 C ATOM 2002 O PHE A 118 -14.540 -3.887 7.919 1.00 32.31 O ATOM 2003 CB PHE A 118 -11.721 -4.511 7.503 1.00 41.50 C ATOM 2004 CG PHE A 118 -11.232 -3.134 7.153 1.00 75.35 C ATOM 2005 CD1 PHE A 118 -10.068 -2.638 7.717 1.00 13.32 C ATOM 2006 CD2 PHE A 118 -11.925 -2.343 6.252 1.00 53.24 C ATOM 2007 CE1 PHE A 118 -9.608 -1.381 7.391 1.00 24.44 C ATOM 2008 CE2 PHE A 118 -11.468 -1.086 5.922 1.00 34.34 C ATOM 2009 CZ PHE A 118 -10.310 -0.604 6.491 1.00 32.32 C ATOM 0 H PHE A 118 -13.177 -6.500 8.268 1.00 2.53 H new ATOM 0 HA PHE A 118 -11.829 -4.267 9.651 1.00 62.10 H new ATOM 0 HB2 PHE A 118 -10.866 -5.187 7.516 1.00 41.50 H new ATOM 0 HB3 PHE A 118 -12.385 -4.852 6.709 1.00 41.50 H new ATOM 0 HD1 PHE A 118 -9.515 -3.243 8.420 1.00 13.32 H new ATOM 0 HD2 PHE A 118 -12.834 -2.716 5.803 1.00 53.24 H new ATOM 0 HE1 PHE A 118 -8.700 -1.004 7.838 1.00 24.44 H new ATOM 0 HE2 PHE A 118 -12.017 -0.479 5.218 1.00 34.34 H new ATOM 0 HZ PHE A 118 -9.951 0.381 6.233 1.00 32.32 H new ATOM 2019 N PRO A 119 -13.982 -3.029 9.910 1.00 2.42 N ATOM 2020 CA PRO A 119 -15.124 -2.117 9.968 1.00 53.33 C ATOM 2021 C PRO A 119 -14.820 -0.834 9.183 1.00 63.43 C ATOM 2022 O PRO A 119 -15.630 -0.355 8.376 1.00 53.12 O ATOM 2023 CB PRO A 119 -15.259 -1.800 11.477 1.00 4.11 C ATOM 2024 CG PRO A 119 -14.260 -2.681 12.173 1.00 2.22 C ATOM 2025 CD PRO A 119 -13.211 -3.008 11.158 1.00 10.42 C ATOM 0 HA PRO A 119 -16.031 -2.541 9.537 1.00 53.33 H new ATOM 0 HB2 PRO A 119 -15.056 -0.747 11.675 1.00 4.11 H new ATOM 0 HB3 PRO A 119 -16.270 -2.002 11.830 1.00 4.11 H new ATOM 0 HG2 PRO A 119 -13.824 -2.171 13.032 1.00 2.22 H new ATOM 0 HG3 PRO A 119 -14.735 -3.588 12.547 1.00 2.22 H new ATOM 0 HD2 PRO A 119 -12.420 -2.259 11.135 1.00 10.42 H new ATOM 0 HD3 PRO A 119 -12.736 -3.968 11.359 1.00 10.42 H new ATOM 2033 N THR A 120 -13.639 -0.309 9.422 1.00 0.31 N ATOM 2034 CA THR A 120 -13.135 0.875 8.802 1.00 32.23 C ATOM 2035 C THR A 120 -11.719 1.064 9.339 1.00 13.34 C ATOM 2036 O THR A 120 -11.219 0.195 10.080 1.00 24.40 O ATOM 2037 CB THR A 120 -14.031 2.135 9.122 1.00 74.54 C ATOM 2038 OG1 THR A 120 -13.562 3.290 8.405 1.00 25.24 O ATOM 2039 CG2 THR A 120 -14.057 2.444 10.620 1.00 42.24 C ATOM 0 H THR A 120 -12.982 -0.721 10.085 1.00 0.31 H new ATOM 0 HA THR A 120 -13.143 0.773 7.717 1.00 32.23 H new ATOM 0 HB THR A 120 -15.045 1.896 8.801 1.00 74.54 H new ATOM 0 HG1 THR A 120 -14.131 4.059 8.616 1.00 25.24 H new ATOM 0 HG21 THR A 120 -14.684 3.317 10.801 1.00 42.24 H new ATOM 0 HG22 THR A 120 -14.462 1.589 11.161 1.00 42.24 H new ATOM 0 HG23 THR A 120 -13.044 2.646 10.967 1.00 42.24 H new ATOM 2047 N ASP A 121 -11.086 2.135 8.984 1.00 73.54 N ATOM 2048 CA ASP A 121 -9.756 2.422 9.447 1.00 61.01 C ATOM 2049 C ASP A 121 -9.716 3.827 9.981 1.00 4.13 C ATOM 2050 O ASP A 121 -10.043 4.777 9.259 1.00 53.20 O ATOM 2051 CB ASP A 121 -8.746 2.237 8.325 1.00 40.24 C ATOM 2052 CG ASP A 121 -7.322 2.498 8.742 1.00 4.44 C ATOM 2053 OD1 ASP A 121 -6.770 1.688 9.524 1.00 25.41 O ATOM 2054 OD2 ASP A 121 -6.715 3.481 8.266 1.00 4.02 O ATOM 0 H ASP A 121 -11.475 2.843 8.361 1.00 73.54 H new ATOM 0 HA ASP A 121 -9.490 1.728 10.245 1.00 61.01 H new ATOM 0 HB2 ASP A 121 -8.823 1.219 7.944 1.00 40.24 H new ATOM 0 HB3 ASP A 121 -9.003 2.905 7.503 1.00 40.24 H new ATOM 2059 N PRO A 122 -9.374 3.993 11.261 1.00 32.50 N ATOM 2060 CA PRO A 122 -9.333 5.296 11.887 1.00 14.24 C ATOM 2061 C PRO A 122 -8.143 6.133 11.426 1.00 2.13 C ATOM 2062 O PRO A 122 -7.023 6.040 11.974 1.00 25.10 O ATOM 2063 CB PRO A 122 -9.245 4.989 13.380 1.00 0.25 C ATOM 2064 CG PRO A 122 -8.596 3.648 13.448 1.00 25.15 C ATOM 2065 CD PRO A 122 -9.003 2.913 12.200 1.00 21.24 C ATOM 0 HA PRO A 122 -10.206 5.894 11.625 1.00 14.24 H new ATOM 0 HB2 PRO A 122 -8.657 5.741 13.906 1.00 0.25 H new ATOM 0 HB3 PRO A 122 -10.232 4.976 13.841 1.00 0.25 H new ATOM 0 HG2 PRO A 122 -7.512 3.744 13.505 1.00 25.15 H new ATOM 0 HG3 PRO A 122 -8.916 3.107 14.339 1.00 25.15 H new ATOM 0 HD2 PRO A 122 -8.187 2.306 11.809 1.00 21.24 H new ATOM 0 HD3 PRO A 122 -9.840 2.240 12.387 1.00 21.24 H new ATOM 2073 N LYS A 123 -8.358 6.901 10.406 1.00 41.31 N ATOM 2074 CA LYS A 123 -7.331 7.733 9.894 1.00 72.21 C ATOM 2075 C LYS A 123 -7.557 9.180 10.269 1.00 10.20 C ATOM 2076 O LYS A 123 -8.640 9.736 10.071 1.00 22.30 O ATOM 2077 CB LYS A 123 -7.053 7.484 8.367 1.00 70.25 C ATOM 2078 CG LYS A 123 -8.243 7.599 7.379 1.00 42.15 C ATOM 2079 CD LYS A 123 -8.751 9.022 7.235 1.00 15.21 C ATOM 2080 CE LYS A 123 -9.867 9.130 6.219 1.00 63.42 C ATOM 2081 NZ LYS A 123 -10.374 10.514 6.135 1.00 4.25 N ATOM 0 H LYS A 123 -9.247 6.965 9.911 1.00 41.31 H new ATOM 0 HA LYS A 123 -6.397 7.449 10.379 1.00 72.21 H new ATOM 0 HB2 LYS A 123 -6.286 8.190 8.048 1.00 70.25 H new ATOM 0 HB3 LYS A 123 -6.629 6.485 8.264 1.00 70.25 H new ATOM 0 HG2 LYS A 123 -7.935 7.227 6.402 1.00 42.15 H new ATOM 0 HG3 LYS A 123 -9.057 6.960 7.722 1.00 42.15 H new ATOM 0 HD2 LYS A 123 -9.106 9.379 8.202 1.00 15.21 H new ATOM 0 HD3 LYS A 123 -7.928 9.672 6.938 1.00 15.21 H new ATOM 0 HE2 LYS A 123 -9.506 8.811 5.241 1.00 63.42 H new ATOM 0 HE3 LYS A 123 -10.680 8.457 6.493 1.00 63.42 H new ATOM 0 HZ1 LYS A 123 -10.421 10.807 5.138 1.00 4.25 H new ATOM 0 HZ2 LYS A 123 -11.324 10.562 6.555 1.00 4.25 H new ATOM 0 HZ3 LYS A 123 -9.734 11.150 6.653 1.00 4.25 H new ATOM 2095 N ALA A 124 -6.568 9.775 10.861 1.00 21.04 N ATOM 2096 CA ALA A 124 -6.667 11.151 11.222 1.00 4.22 C ATOM 2097 C ALA A 124 -6.070 12.009 10.139 1.00 65.33 C ATOM 2098 O ALA A 124 -4.914 12.459 10.232 1.00 53.12 O ATOM 2099 CB ALA A 124 -6.034 11.431 12.569 1.00 73.31 C ATOM 0 H ALA A 124 -5.684 9.328 11.104 1.00 21.04 H new ATOM 0 HA ALA A 124 -7.723 11.402 11.321 1.00 4.22 H new ATOM 0 HB1 ALA A 124 -6.132 12.491 12.804 1.00 73.31 H new ATOM 0 HB2 ALA A 124 -6.535 10.841 13.336 1.00 73.31 H new ATOM 0 HB3 ALA A 124 -4.978 11.163 12.538 1.00 73.31 H new ATOM 2105 N SER A 125 -6.823 12.158 9.086 1.00 25.24 N ATOM 2106 CA SER A 125 -6.423 12.929 7.961 1.00 21.43 C ATOM 2107 C SER A 125 -6.630 14.396 8.248 1.00 42.22 C ATOM 2108 O SER A 125 -7.769 14.867 8.367 1.00 1.13 O ATOM 2109 CB SER A 125 -7.210 12.475 6.733 1.00 20.41 C ATOM 2110 OG SER A 125 -8.602 12.463 7.014 1.00 11.42 O ATOM 0 H SER A 125 -7.747 11.736 8.991 1.00 25.24 H new ATOM 0 HA SER A 125 -5.362 12.779 7.759 1.00 21.43 H new ATOM 0 HB2 SER A 125 -7.007 13.143 5.896 1.00 20.41 H new ATOM 0 HB3 SER A 125 -6.885 11.479 6.432 1.00 20.41 H new ATOM 0 HG SER A 125 -8.838 13.261 7.532 1.00 11.42 H new ATOM 2116 N ASN A 126 -5.547 15.090 8.412 1.00 75.22 N ATOM 2117 CA ASN A 126 -5.578 16.493 8.706 1.00 51.34 C ATOM 2118 C ASN A 126 -4.591 17.205 7.816 1.00 0.25 C ATOM 2119 O ASN A 126 -3.394 17.259 8.106 1.00 25.22 O ATOM 2120 CB ASN A 126 -5.258 16.735 10.188 1.00 41.11 C ATOM 2121 CG ASN A 126 -5.313 18.198 10.600 1.00 23.55 C ATOM 2122 OD1 ASN A 126 -6.369 18.698 10.989 1.00 11.23 O ATOM 2123 ND2 ASN A 126 -4.195 18.874 10.557 1.00 53.02 N ATOM 0 H ASN A 126 -4.608 14.698 8.346 1.00 75.22 H new ATOM 0 HA ASN A 126 -6.576 16.886 8.514 1.00 51.34 H new ATOM 0 HB2 ASN A 126 -5.962 16.169 10.799 1.00 41.11 H new ATOM 0 HB3 ASN A 126 -4.263 16.344 10.403 1.00 41.11 H new ATOM 0 HD21 ASN A 126 -4.178 19.850 10.852 1.00 53.02 H new ATOM 0 HD22 ASN A 126 -3.340 18.425 10.229 1.00 53.02 H new ATOM 2130 N TRP A 127 -5.077 17.663 6.700 1.00 24.35 N ATOM 2131 CA TRP A 127 -4.271 18.392 5.730 1.00 61.44 C ATOM 2132 C TRP A 127 -5.014 19.640 5.310 1.00 22.32 C ATOM 2133 O TRP A 127 -4.429 20.712 5.129 1.00 20.14 O ATOM 2134 CB TRP A 127 -3.980 17.530 4.480 1.00 21.12 C ATOM 2135 CG TRP A 127 -3.171 16.285 4.730 1.00 20.34 C ATOM 2136 CD1 TRP A 127 -3.646 15.022 4.949 1.00 72.32 C ATOM 2137 CD2 TRP A 127 -1.739 16.189 4.772 1.00 4.14 C ATOM 2138 NE1 TRP A 127 -2.598 14.149 5.131 1.00 31.25 N ATOM 2139 CE2 TRP A 127 -1.417 14.842 5.025 1.00 2.53 C ATOM 2140 CE3 TRP A 127 -0.701 17.115 4.621 1.00 53.34 C ATOM 2141 CZ2 TRP A 127 -0.098 14.397 5.129 1.00 44.02 C ATOM 2142 CZ3 TRP A 127 0.604 16.672 4.724 1.00 32.50 C ATOM 2143 CH2 TRP A 127 0.895 15.325 4.976 1.00 43.31 C ATOM 0 H TRP A 127 -6.052 17.547 6.423 1.00 24.35 H new ATOM 0 HA TRP A 127 -3.320 18.650 6.197 1.00 61.44 H new ATOM 0 HB2 TRP A 127 -4.929 17.242 4.029 1.00 21.12 H new ATOM 0 HB3 TRP A 127 -3.454 18.145 3.750 1.00 21.12 H new ATOM 0 HD1 TRP A 127 -4.691 14.749 4.975 1.00 72.32 H new ATOM 0 HE1 TRP A 127 -2.684 13.149 5.315 1.00 31.25 H new ATOM 0 HE3 TRP A 127 -0.915 18.156 4.428 1.00 53.34 H new ATOM 0 HZ2 TRP A 127 0.130 13.359 5.323 1.00 44.02 H new ATOM 0 HZ3 TRP A 127 1.414 17.377 4.608 1.00 32.50 H new ATOM 0 HH2 TRP A 127 1.926 15.013 5.051 1.00 43.31 H new ATOM 2154 N GLY A 128 -6.292 19.486 5.137 1.00 21.40 N ATOM 2155 CA GLY A 128 -7.139 20.558 4.759 1.00 34.40 C ATOM 2156 C GLY A 128 -8.217 20.039 3.874 1.00 71.44 C ATOM 2157 O GLY A 128 -8.740 20.795 3.044 1.00 37.47 O ATOM 2158 OXT GLY A 128 -8.532 18.827 3.963 1.00 37.47 O ATOM 0 H GLY A 128 -6.775 18.596 5.258 1.00 21.40 H new ATOM 0 HA2 GLY A 128 -7.571 21.025 5.644 1.00 34.40 H new ATOM 0 HA3 GLY A 128 -6.565 21.326 4.241 1.00 34.40 H new TER 2162 GLY A 128