USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1139 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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.798! C(o=0.44!,f=-11!) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -126:sc= 1.24 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ -108:sc= -7.7! (180deg=-11.8!) USER MOD Single : A 2 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-4.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.326 (180deg=-0.67) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -50:sc= -1.71 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.282 F(o=-8!,f=0.28) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc=-0.00568 (180deg=-0.231) USER MOD Single : A 32 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-12!) USER MOD Single : A 34 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.431) USER MOD Single : A 37 ASN : amide:sc= -6.76! C(o=-6.8!,f=-6.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0528 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 46 GLN : amide:sc= -6.14! C(o=-6.1!,f=-8.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0.064 K(o=0.064,f=-0.78) USER MOD Single : A 69 SER OG : rot 140:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -31.3! C(o=-32!,f=-31!) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00378) USER MOD Single : A 83 ASN : amide:sc= -1.88! C(o=-1.9!,f=-7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -4.43! C(o=-5!,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -135:sc= -0.226 (180deg=-2.91!) USER MOD Single : A 108 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.055) USER MOD Single : A 109 CYS SG : rot -35:sc= 0.0552 USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0373 (180deg=-0.658) USER MOD Single : A 113 SER OG : rot -158:sc= -1.18! USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 123 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= -7.46! (180deg=-7.96!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc=-0.00255 X(o=-0.0026,f=0) USER MOD Single : B 1 ASP N :NH3+ 142:sc= 0.707 (180deg=-0.912) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 18.236 -18.606 -7.247 1.00 1.51 N ATOM 2 CA ARG A 1 16.864 -18.900 -6.743 1.00 1.47 C ATOM 3 C ARG A 1 16.194 -17.593 -6.308 1.00 1.42 C ATOM 4 O ARG A 1 15.760 -16.806 -7.125 1.00 1.41 O ATOM 5 CB ARG A 1 16.953 -19.857 -5.548 1.00 1.52 C ATOM 6 CG ARG A 1 17.176 -21.290 -6.045 1.00 1.58 C ATOM 7 CD ARG A 1 18.524 -21.391 -6.767 1.00 1.56 C ATOM 8 NE ARG A 1 18.378 -20.898 -8.166 1.00 1.55 N ATOM 9 CZ ARG A 1 19.438 -20.618 -8.873 1.00 1.55 C ATOM 10 NH1 ARG A 1 20.626 -20.761 -8.353 1.00 1.57 N ATOM 11 NH2 ARG A 1 19.310 -20.193 -10.100 1.00 1.54 N ATOM 0 H1 ARG A 1 18.258 -18.720 -8.280 1.00 1.51 H new ATOM 0 H2 ARG A 1 18.494 -17.629 -7.001 1.00 1.51 H new ATOM 0 H3 ARG A 1 18.914 -19.263 -6.812 1.00 1.51 H new ATOM 0 HA ARG A 1 16.275 -19.365 -7.533 1.00 1.47 H new ATOM 0 HB2 ARG A 1 17.771 -19.559 -4.892 1.00 1.52 H new ATOM 0 HB3 ARG A 1 16.037 -19.805 -4.960 1.00 1.52 H new ATOM 0 HG2 ARG A 1 17.152 -21.983 -5.204 1.00 1.58 H new ATOM 0 HG3 ARG A 1 16.370 -21.579 -6.720 1.00 1.58 H new ATOM 0 HD2 ARG A 1 19.276 -20.803 -6.240 1.00 1.56 H new ATOM 0 HD3 ARG A 1 18.871 -22.424 -6.769 1.00 1.56 H new ATOM 0 HE ARG A 1 17.449 -20.780 -8.571 1.00 1.55 H new ATOM 0 HH11 ARG A 1 20.726 -21.092 -7.393 1.00 1.57 H new ATOM 0 HH12 ARG A 1 21.455 -20.542 -8.906 1.00 1.57 H new ATOM 0 HH21 ARG A 1 18.381 -20.080 -10.506 1.00 1.54 H new ATOM 0 HH22 ARG A 1 20.139 -19.974 -10.653 1.00 1.54 H new ATOM 27 N HIS A 2 16.106 -17.359 -5.028 1.00 1.39 N ATOM 28 CA HIS A 2 15.463 -16.107 -4.541 1.00 1.35 C ATOM 29 C HIS A 2 16.112 -14.899 -5.221 1.00 1.38 C ATOM 30 O HIS A 2 17.216 -14.511 -4.895 1.00 1.44 O ATOM 31 CB HIS A 2 15.645 -15.996 -3.026 1.00 1.31 C ATOM 32 CG HIS A 2 17.112 -15.943 -2.699 1.00 1.26 C ATOM 33 ND1 HIS A 2 18.007 -16.895 -3.161 1.00 1.27 N ATOM 34 CD2 HIS A 2 17.856 -15.059 -1.957 1.00 1.20 C ATOM 35 CE1 HIS A 2 19.226 -16.566 -2.697 1.00 1.22 C ATOM 36 NE2 HIS A 2 19.190 -15.454 -1.957 1.00 1.17 N ATOM 0 H HIS A 2 16.452 -17.981 -4.298 1.00 1.39 H new ATOM 0 HA HIS A 2 14.400 -16.130 -4.780 1.00 1.35 H new ATOM 0 HB2 HIS A 2 15.146 -15.101 -2.654 1.00 1.31 H new ATOM 0 HB3 HIS A 2 15.182 -16.849 -2.530 1.00 1.31 H new ATOM 0 HD2 HIS A 2 17.465 -14.189 -1.450 1.00 1.20 H new ATOM 0 HE1 HIS A 2 20.124 -17.131 -2.898 1.00 1.22 H new ATOM 0 HE2 HIS A 2 19.972 -14.994 -1.492 1.00 1.17 H new ATOM 44 N GLU A 3 15.433 -14.299 -6.160 1.00 1.36 N ATOM 45 CA GLU A 3 16.012 -13.115 -6.854 1.00 1.40 C ATOM 46 C GLU A 3 16.501 -12.109 -5.810 1.00 1.39 C ATOM 47 O GLU A 3 15.781 -11.744 -4.902 1.00 1.34 O ATOM 48 CB GLU A 3 14.942 -12.462 -7.731 1.00 1.39 C ATOM 49 CG GLU A 3 14.368 -13.502 -8.695 1.00 1.41 C ATOM 50 CD GLU A 3 13.438 -12.813 -9.695 1.00 1.40 C ATOM 51 OE1 GLU A 3 13.186 -11.632 -9.523 1.00 1.60 O ATOM 52 OE2 GLU A 3 12.993 -13.479 -10.616 1.00 1.53 O ATOM 0 H GLU A 3 14.504 -14.577 -6.476 1.00 1.36 H new ATOM 0 HA GLU A 3 16.848 -13.430 -7.479 1.00 1.40 H new ATOM 0 HB2 GLU A 3 14.148 -12.050 -7.108 1.00 1.39 H new ATOM 0 HB3 GLU A 3 15.372 -11.631 -8.290 1.00 1.39 H new ATOM 0 HG2 GLU A 3 15.176 -14.009 -9.223 1.00 1.41 H new ATOM 0 HG3 GLU A 3 13.822 -14.265 -8.140 1.00 1.41 H new ATOM 59 N ARG A 4 17.721 -11.658 -5.930 1.00 1.44 N ATOM 60 CA ARG A 4 18.257 -10.678 -4.943 1.00 1.44 C ATOM 61 C ARG A 4 17.857 -9.264 -5.369 1.00 1.43 C ATOM 62 O ARG A 4 18.293 -8.768 -6.389 1.00 1.45 O ATOM 63 CB ARG A 4 19.788 -10.813 -4.891 1.00 1.51 C ATOM 64 CG ARG A 4 20.422 -9.605 -4.162 1.00 1.53 C ATOM 65 CD ARG A 4 20.631 -8.403 -5.115 1.00 1.56 C ATOM 66 NE ARG A 4 21.947 -7.770 -4.819 1.00 1.64 N ATOM 67 CZ ARG A 4 22.474 -6.932 -5.670 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.851 -6.652 -6.782 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.626 -6.376 -5.409 1.00 1.74 N ATOM 0 H ARG A 4 18.370 -11.927 -6.670 1.00 1.44 H new ATOM 0 HA ARG A 4 17.848 -10.874 -3.952 1.00 1.44 H new ATOM 0 HB2 ARG A 4 20.059 -11.736 -4.378 1.00 1.51 H new ATOM 0 HB3 ARG A 4 20.186 -10.882 -5.903 1.00 1.51 H new ATOM 0 HG2 ARG A 4 19.782 -9.304 -3.333 1.00 1.53 H new ATOM 0 HG3 ARG A 4 21.380 -9.901 -3.734 1.00 1.53 H new ATOM 0 HD2 ARG A 4 20.598 -8.736 -6.153 1.00 1.56 H new ATOM 0 HD3 ARG A 4 19.827 -7.678 -4.987 1.00 1.56 H new ATOM 0 HE ARG A 4 22.436 -7.991 -3.952 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.952 -7.088 -6.987 1.00 1.65 H new ATOM 0 HH12 ARG A 4 22.263 -5.997 -7.447 1.00 1.65 H new ATOM 0 HH21 ARG A 4 24.114 -6.596 -4.541 1.00 1.74 H new ATOM 0 HH22 ARG A 4 24.038 -5.721 -6.073 1.00 1.74 H new ATOM 83 N ASP A 5 17.027 -8.612 -4.590 1.00 1.40 N ATOM 84 CA ASP A 5 16.583 -7.225 -4.924 1.00 1.39 C ATOM 85 C ASP A 5 16.897 -6.308 -3.745 1.00 1.41 C ATOM 86 O ASP A 5 17.956 -6.374 -3.154 1.00 1.46 O ATOM 87 CB ASP A 5 15.072 -7.221 -5.172 1.00 1.32 C ATOM 88 CG ASP A 5 14.668 -5.925 -5.876 1.00 1.32 C ATOM 89 OD1 ASP A 5 15.288 -5.599 -6.875 1.00 1.33 O ATOM 90 OD2 ASP A 5 13.745 -5.281 -5.406 1.00 1.32 O ATOM 0 H ASP A 5 16.635 -8.988 -3.727 1.00 1.40 H new ATOM 0 HA ASP A 5 17.101 -6.877 -5.817 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.792 -8.080 -5.782 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.538 -7.314 -4.226 1.00 1.32 H new ATOM 95 N ALA A 6 15.976 -5.457 -3.396 1.00 1.37 N ATOM 96 CA ALA A 6 16.209 -4.535 -2.246 1.00 1.39 C ATOM 97 C ALA A 6 15.875 -5.259 -0.938 1.00 1.40 C ATOM 98 O ALA A 6 16.704 -5.396 -0.062 1.00 1.45 O ATOM 99 CB ALA A 6 15.311 -3.302 -2.396 1.00 1.34 C ATOM 0 H ALA A 6 15.071 -5.358 -3.856 1.00 1.37 H new ATOM 0 HA ALA A 6 17.254 -4.224 -2.230 1.00 1.39 H new ATOM 0 HB1 ALA A 6 15.478 -2.626 -1.558 1.00 1.34 H new ATOM 0 HB2 ALA A 6 15.549 -2.790 -3.328 1.00 1.34 H new ATOM 0 HB3 ALA A 6 14.266 -3.612 -2.409 1.00 1.34 H new ATOM 105 N PHE A 7 14.666 -5.736 -0.809 1.00 1.35 N ATOM 106 CA PHE A 7 14.262 -6.459 0.431 1.00 1.36 C ATOM 107 C PHE A 7 15.342 -7.468 0.816 1.00 1.43 C ATOM 108 O PHE A 7 15.559 -7.753 1.972 1.00 1.46 O ATOM 109 CB PHE A 7 12.913 -7.150 0.156 1.00 1.31 C ATOM 110 CG PHE A 7 12.171 -6.324 -0.876 1.00 1.26 C ATOM 111 CD1 PHE A 7 11.378 -5.243 -0.475 1.00 1.21 C ATOM 112 CD2 PHE A 7 12.322 -6.613 -2.238 1.00 1.27 C ATOM 113 CE1 PHE A 7 10.736 -4.451 -1.436 1.00 1.16 C ATOM 114 CE2 PHE A 7 11.676 -5.826 -3.199 1.00 1.23 C ATOM 115 CZ PHE A 7 10.884 -4.742 -2.799 1.00 1.18 C ATOM 0 H PHE A 7 13.935 -5.655 -1.516 1.00 1.35 H new ATOM 0 HA PHE A 7 14.149 -5.770 1.268 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.071 -8.165 -0.209 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.330 -7.228 1.074 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.261 -5.019 0.575 1.00 1.21 H new ATOM 0 HD2 PHE A 7 12.938 -7.444 -2.548 1.00 1.27 H new ATOM 0 HE1 PHE A 7 10.126 -3.615 -1.126 1.00 1.16 H new ATOM 0 HE2 PHE A 7 11.788 -6.055 -4.249 1.00 1.23 H new ATOM 0 HZ PHE A 7 10.388 -4.132 -3.539 1.00 1.18 H new ATOM 125 N ASP A 8 16.031 -7.994 -0.139 1.00 1.47 N ATOM 126 CA ASP A 8 17.102 -8.978 0.180 1.00 1.54 C ATOM 127 C ASP A 8 18.107 -8.352 1.160 1.00 1.58 C ATOM 128 O ASP A 8 18.209 -8.748 2.305 1.00 1.60 O ATOM 129 CB ASP A 8 17.815 -9.390 -1.135 1.00 1.58 C ATOM 130 CG ASP A 8 17.806 -10.917 -1.302 1.00 1.64 C ATOM 131 OD1 ASP A 8 16.862 -11.424 -1.885 1.00 1.64 O ATOM 132 OD2 ASP A 8 18.742 -11.548 -0.842 1.00 1.69 O ATOM 0 H ASP A 8 15.906 -7.791 -1.131 1.00 1.47 H new ATOM 0 HA ASP A 8 16.668 -9.862 0.647 1.00 1.54 H new ATOM 0 HB2 ASP A 8 17.318 -8.923 -1.986 1.00 1.58 H new ATOM 0 HB3 ASP A 8 18.842 -9.026 -1.127 1.00 1.58 H new ATOM 137 N THR A 9 18.858 -7.394 0.704 1.00 1.61 N ATOM 138 CA THR A 9 19.884 -6.750 1.582 1.00 1.66 C ATOM 139 C THR A 9 19.251 -5.768 2.563 1.00 1.62 C ATOM 140 O THR A 9 19.835 -5.438 3.575 1.00 1.65 O ATOM 141 CB THR A 9 20.895 -6.004 0.708 1.00 1.71 C ATOM 142 OG1 THR A 9 21.429 -6.895 -0.262 1.00 1.71 O ATOM 143 CG2 THR A 9 22.025 -5.460 1.583 1.00 1.78 C ATOM 0 H THR A 9 18.809 -7.023 -0.245 1.00 1.61 H new ATOM 0 HA THR A 9 20.376 -7.534 2.158 1.00 1.66 H new ATOM 0 HB THR A 9 20.399 -5.175 0.204 1.00 1.71 H new ATOM 0 HG1 THR A 9 22.075 -6.418 -0.824 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.744 -4.929 0.960 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.613 -4.776 2.325 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.524 -6.287 2.089 1.00 1.78 H new ATOM 151 N LEU A 10 18.079 -5.291 2.290 1.00 1.55 N ATOM 152 CA LEU A 10 17.458 -4.319 3.234 1.00 1.52 C ATOM 153 C LEU A 10 17.019 -5.053 4.510 1.00 1.51 C ATOM 154 O LEU A 10 17.168 -4.547 5.604 1.00 1.54 O ATOM 155 CB LEU A 10 16.249 -3.638 2.559 1.00 1.44 C ATOM 156 CG LEU A 10 16.665 -2.307 1.913 1.00 1.43 C ATOM 157 CD1 LEU A 10 17.632 -2.571 0.759 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.421 -1.592 1.376 1.00 1.36 C ATOM 0 H LEU A 10 17.524 -5.524 1.466 1.00 1.55 H new ATOM 0 HA LEU A 10 18.185 -3.552 3.501 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.829 -4.300 1.802 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.467 -3.461 3.297 1.00 1.44 H new ATOM 0 HG LEU A 10 17.156 -1.683 2.660 1.00 1.43 H new ATOM 0 HD11 LEU A 10 17.924 -1.624 0.305 1.00 1.48 H new ATOM 0 HD12 LEU A 10 18.519 -3.081 1.137 1.00 1.48 H new ATOM 0 HD13 LEU A 10 17.144 -3.197 0.012 1.00 1.48 H new ATOM 0 HD21 LEU A 10 15.714 -0.648 0.917 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.933 -2.221 0.632 1.00 1.36 H new ATOM 0 HD23 LEU A 10 14.730 -1.398 2.197 1.00 1.36 H new ATOM 170 N PHE A 11 16.489 -6.239 4.384 1.00 1.48 N ATOM 171 CA PHE A 11 16.053 -6.995 5.596 1.00 1.48 C ATOM 172 C PHE A 11 17.256 -7.719 6.172 1.00 1.55 C ATOM 173 O PHE A 11 17.328 -8.001 7.352 1.00 1.57 O ATOM 174 CB PHE A 11 14.988 -8.021 5.186 1.00 1.42 C ATOM 175 CG PHE A 11 13.636 -7.376 5.216 1.00 1.36 C ATOM 176 CD1 PHE A 11 12.935 -7.231 6.418 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.110 -6.909 4.037 1.00 1.31 C ATOM 178 CE1 PHE A 11 11.683 -6.608 6.419 1.00 1.27 C ATOM 179 CE2 PHE A 11 11.868 -6.281 4.022 1.00 1.25 C ATOM 180 CZ PHE A 11 11.149 -6.130 5.218 1.00 1.23 C ATOM 0 H PHE A 11 16.339 -6.718 3.496 1.00 1.48 H new ATOM 0 HA PHE A 11 15.638 -6.315 6.340 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.199 -8.401 4.186 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.011 -8.875 5.863 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.359 -7.599 7.341 1.00 1.34 H new ATOM 0 HD2 PHE A 11 13.663 -7.029 3.117 1.00 1.31 H new ATOM 0 HE1 PHE A 11 11.132 -6.497 7.341 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.459 -5.911 3.093 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.184 -5.645 5.211 1.00 1.23 H new ATOM 190 N ASP A 12 18.196 -8.034 5.338 1.00 1.58 N ATOM 191 CA ASP A 12 19.406 -8.762 5.824 1.00 1.65 C ATOM 192 C ASP A 12 20.462 -7.767 6.307 1.00 1.70 C ATOM 193 O ASP A 12 21.389 -8.135 7.001 1.00 1.75 O ATOM 194 CB ASP A 12 19.982 -9.621 4.696 1.00 1.68 C ATOM 195 CG ASP A 12 19.095 -10.848 4.481 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.814 -11.529 5.454 1.00 1.58 O ATOM 197 OD2 ASP A 12 18.710 -11.086 3.348 1.00 1.65 O ATOM 0 H ASP A 12 18.186 -7.823 4.340 1.00 1.58 H new ATOM 0 HA ASP A 12 19.120 -9.405 6.656 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.043 -9.038 3.777 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.997 -9.932 4.944 1.00 1.68 H new ATOM 202 N HIS A 13 20.343 -6.510 5.948 1.00 1.70 N ATOM 203 CA HIS A 13 21.368 -5.509 6.401 1.00 1.76 C ATOM 204 C HIS A 13 20.738 -4.138 6.707 1.00 1.73 C ATOM 205 O HIS A 13 21.439 -3.149 6.788 1.00 1.77 O ATOM 206 CB HIS A 13 22.421 -5.339 5.303 1.00 1.80 C ATOM 207 CG HIS A 13 23.622 -4.623 5.863 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.896 -3.296 5.569 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.627 -5.036 6.702 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.025 -2.962 6.221 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.512 -3.986 6.927 1.00 1.95 N ATOM 0 H HIS A 13 19.592 -6.135 5.369 1.00 1.70 H new ATOM 0 HA HIS A 13 21.820 -5.885 7.319 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.715 -6.313 4.913 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.004 -4.774 4.469 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.717 -6.026 7.124 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.482 -1.984 6.179 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.352 -3.996 7.506 1.00 1.95 H new ATOM 219 N ALA A 14 19.444 -4.051 6.900 1.00 1.66 N ATOM 220 CA ALA A 14 18.847 -2.711 7.218 1.00 1.63 C ATOM 221 C ALA A 14 17.373 -2.833 7.638 1.00 1.56 C ATOM 222 O ALA A 14 16.504 -2.349 6.942 1.00 1.51 O ATOM 223 CB ALA A 14 18.945 -1.809 5.982 1.00 1.62 C ATOM 0 H ALA A 14 18.786 -4.829 6.853 1.00 1.66 H new ATOM 0 HA ALA A 14 19.403 -2.282 8.051 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.513 -0.834 6.208 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.992 -1.686 5.703 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.401 -2.265 5.155 1.00 1.62 H new ATOM 229 N PRO A 15 17.130 -3.447 8.777 1.00 1.57 N ATOM 230 CA PRO A 15 15.760 -3.599 9.298 1.00 1.51 C ATOM 231 C PRO A 15 15.230 -2.226 9.743 1.00 1.50 C ATOM 232 O PRO A 15 14.058 -2.058 10.014 1.00 1.44 O ATOM 233 CB PRO A 15 15.906 -4.548 10.513 1.00 1.54 C ATOM 234 CG PRO A 15 17.418 -4.872 10.677 1.00 1.62 C ATOM 235 CD PRO A 15 18.180 -4.040 9.627 1.00 1.64 C ATOM 0 HA PRO A 15 15.063 -3.993 8.558 1.00 1.51 H new ATOM 0 HB2 PRO A 15 15.515 -4.078 11.415 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.333 -5.462 10.356 1.00 1.54 H new ATOM 0 HG2 PRO A 15 17.757 -4.625 11.683 1.00 1.62 H new ATOM 0 HG3 PRO A 15 17.601 -5.937 10.531 1.00 1.62 H new ATOM 0 HD2 PRO A 15 18.788 -3.269 10.100 1.00 1.64 H new ATOM 0 HD3 PRO A 15 18.855 -4.665 9.042 1.00 1.64 H new ATOM 243 N ASP A 16 16.098 -1.254 9.846 1.00 1.55 N ATOM 244 CA ASP A 16 15.655 0.104 10.307 1.00 1.55 C ATOM 245 C ASP A 16 15.140 0.945 9.131 1.00 1.52 C ATOM 246 O ASP A 16 14.093 1.570 9.206 1.00 1.48 O ATOM 247 CB ASP A 16 16.839 0.824 10.957 1.00 1.63 C ATOM 248 CG ASP A 16 16.385 2.190 11.474 1.00 1.65 C ATOM 249 OD1 ASP A 16 15.190 2.435 11.471 1.00 1.64 O ATOM 250 OD2 ASP A 16 17.239 2.968 11.865 1.00 1.68 O ATOM 0 H ASP A 16 17.092 -1.337 9.633 1.00 1.55 H new ATOM 0 HA ASP A 16 14.844 -0.022 11.024 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.236 0.226 11.778 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.645 0.947 10.234 1.00 1.63 H new ATOM 255 N LYS A 17 15.865 0.981 8.053 1.00 1.55 N ATOM 256 CA LYS A 17 15.416 1.791 6.889 1.00 1.54 C ATOM 257 C LYS A 17 14.091 1.234 6.380 1.00 1.46 C ATOM 258 O LYS A 17 13.223 1.964 5.948 1.00 1.42 O ATOM 259 CB LYS A 17 16.470 1.728 5.782 1.00 1.59 C ATOM 260 CG LYS A 17 17.664 2.602 6.173 1.00 1.67 C ATOM 261 CD LYS A 17 18.798 2.407 5.166 1.00 1.72 C ATOM 262 CE LYS A 17 19.850 3.501 5.364 1.00 1.80 C ATOM 263 NZ LYS A 17 19.336 4.788 4.817 1.00 1.80 N ATOM 0 H LYS A 17 16.748 0.486 7.926 1.00 1.55 H new ATOM 0 HA LYS A 17 15.283 2.830 7.189 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.793 0.698 5.629 1.00 1.59 H new ATOM 0 HB3 LYS A 17 16.045 2.072 4.839 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.366 3.650 6.201 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.005 2.341 7.175 1.00 1.67 H new ATOM 0 HD2 LYS A 17 19.251 1.424 5.298 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.406 2.444 4.149 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.082 3.610 6.423 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.777 3.224 4.862 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.951 5.106 4.041 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.369 4.652 4.459 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.328 5.506 5.569 1.00 1.80 H new ATOM 277 N LEU A 18 13.922 -0.056 6.442 1.00 1.43 N ATOM 278 CA LEU A 18 12.647 -0.659 5.975 1.00 1.36 C ATOM 279 C LEU A 18 11.493 -0.043 6.760 1.00 1.31 C ATOM 280 O LEU A 18 10.420 0.181 6.237 1.00 1.26 O ATOM 281 CB LEU A 18 12.688 -2.172 6.213 1.00 1.35 C ATOM 282 CG LEU A 18 13.530 -2.851 5.111 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.115 -4.167 5.642 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.651 -3.145 3.884 1.00 1.41 C ATOM 0 H LEU A 18 14.612 -0.718 6.796 1.00 1.43 H new ATOM 0 HA LEU A 18 12.508 -0.467 4.911 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.116 -2.384 7.193 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.676 -2.577 6.212 1.00 1.35 H new ATOM 0 HG LEU A 18 14.340 -2.181 4.823 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.708 -4.643 4.861 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.749 -3.962 6.505 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.304 -4.833 5.938 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.253 -3.624 3.112 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.835 -3.808 4.171 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.241 -2.212 3.498 1.00 1.41 H new ATOM 296 N ASN A 19 11.712 0.249 8.011 1.00 1.33 N ATOM 297 CA ASN A 19 10.630 0.869 8.821 1.00 1.29 C ATOM 298 C ASN A 19 10.323 2.243 8.233 1.00 1.30 C ATOM 299 O ASN A 19 9.185 2.582 7.966 1.00 1.25 O ATOM 300 CB ASN A 19 11.090 1.020 10.273 1.00 1.32 C ATOM 301 CG ASN A 19 9.954 1.614 11.108 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.155 2.382 10.609 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.847 1.289 12.367 1.00 1.22 N ATOM 0 H ASN A 19 12.589 0.086 8.505 1.00 1.33 H new ATOM 0 HA ASN A 19 9.739 0.242 8.801 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.383 0.050 10.676 1.00 1.32 H new ATOM 0 HB3 ASN A 19 11.968 1.664 10.323 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.093 1.679 12.932 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.517 0.644 12.786 1.00 1.22 H new ATOM 310 N VAL A 20 11.337 3.034 8.013 1.00 1.36 N ATOM 311 CA VAL A 20 11.106 4.383 7.424 1.00 1.38 C ATOM 312 C VAL A 20 10.478 4.223 6.034 1.00 1.34 C ATOM 313 O VAL A 20 9.638 5.005 5.621 1.00 1.32 O ATOM 314 CB VAL A 20 12.440 5.122 7.300 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.199 6.522 6.732 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.090 5.238 8.680 1.00 1.50 C ATOM 0 H VAL A 20 12.311 2.806 8.214 1.00 1.36 H new ATOM 0 HA VAL A 20 10.436 4.954 8.066 1.00 1.38 H new ATOM 0 HB VAL A 20 13.100 4.568 6.632 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.150 7.048 6.644 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.737 6.441 5.748 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.538 7.076 7.399 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.040 5.764 8.591 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.430 5.791 9.348 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.264 4.241 9.085 1.00 1.50 H new ATOM 326 N VAL A 21 10.876 3.213 5.307 1.00 1.33 N ATOM 327 CA VAL A 21 10.299 3.010 3.949 1.00 1.30 C ATOM 328 C VAL A 21 8.792 2.753 4.070 1.00 1.22 C ATOM 329 O VAL A 21 8.027 3.156 3.218 1.00 1.19 O ATOM 330 CB VAL A 21 10.992 1.828 3.256 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.267 1.500 1.946 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.454 2.196 2.946 1.00 1.38 C ATOM 0 H VAL A 21 11.572 2.524 5.594 1.00 1.33 H new ATOM 0 HA VAL A 21 10.460 3.904 3.347 1.00 1.30 H new ATOM 0 HB VAL A 21 10.964 0.961 3.916 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.761 0.661 1.457 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.231 1.237 2.160 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.292 2.369 1.289 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.944 1.356 2.454 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.479 3.066 2.289 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.976 2.427 3.875 1.00 1.38 H new ATOM 342 N LYS A 22 8.341 2.121 5.129 1.00 1.19 N ATOM 343 CA LYS A 22 6.882 1.900 5.273 1.00 1.12 C ATOM 344 C LYS A 22 6.258 3.274 5.436 1.00 1.12 C ATOM 345 O LYS A 22 5.246 3.565 4.862 1.00 1.09 O ATOM 346 CB LYS A 22 6.616 1.000 6.502 1.00 1.09 C ATOM 347 CG LYS A 22 5.191 1.215 7.099 1.00 1.03 C ATOM 348 CD LYS A 22 5.217 0.961 8.614 1.00 1.03 C ATOM 349 CE LYS A 22 5.771 2.198 9.337 1.00 1.09 C ATOM 350 NZ LYS A 22 6.447 1.774 10.596 1.00 1.14 N ATOM 0 H LYS A 22 8.919 1.756 5.886 1.00 1.19 H new ATOM 0 HA LYS A 22 6.452 1.393 4.409 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.733 -0.045 6.216 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.363 1.206 7.268 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.852 2.231 6.897 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.481 0.541 6.620 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.212 0.738 8.972 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.835 0.091 8.836 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.475 2.725 8.693 1.00 1.09 H new ATOM 0 HE3 LYS A 22 4.963 2.894 9.562 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.048 2.301 11.399 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.299 0.755 10.743 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.466 1.969 10.526 1.00 1.14 H new ATOM 364 N LYS A 23 6.859 4.106 6.233 1.00 1.17 N ATOM 365 CA LYS A 23 6.305 5.474 6.451 1.00 1.18 C ATOM 366 C LYS A 23 6.223 6.229 5.117 1.00 1.20 C ATOM 367 O LYS A 23 5.414 7.123 4.946 1.00 1.20 O ATOM 368 CB LYS A 23 7.214 6.243 7.411 1.00 1.25 C ATOM 369 CG LYS A 23 7.373 5.448 8.709 1.00 1.23 C ATOM 370 CD LYS A 23 8.123 6.295 9.739 1.00 1.29 C ATOM 371 CE LYS A 23 8.061 5.609 11.105 1.00 1.36 C ATOM 372 NZ LYS A 23 8.988 6.295 12.049 1.00 1.39 N ATOM 0 H LYS A 23 7.715 3.900 6.748 1.00 1.17 H new ATOM 0 HA LYS A 23 5.305 5.389 6.876 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.189 6.409 6.952 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.790 7.225 7.623 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.394 5.167 9.098 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.918 4.524 8.517 1.00 1.23 H new ATOM 0 HD2 LYS A 23 9.161 6.425 9.432 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.681 7.290 9.799 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.043 5.639 11.493 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.335 4.558 11.009 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 8.946 5.829 12.978 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 9.959 6.245 11.680 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.707 7.291 12.149 1.00 1.39 H new ATOM 386 N THR A 24 7.040 5.873 4.164 1.00 1.22 N ATOM 387 CA THR A 24 6.986 6.577 2.847 1.00 1.24 C ATOM 388 C THR A 24 5.785 6.048 2.084 1.00 1.18 C ATOM 389 O THR A 24 5.106 6.761 1.366 1.00 1.18 O ATOM 390 CB THR A 24 8.272 6.303 2.063 1.00 1.30 C ATOM 391 OG1 THR A 24 9.390 6.748 2.818 1.00 1.36 O ATOM 392 CG2 THR A 24 8.226 7.046 0.728 1.00 1.31 C ATOM 0 H THR A 24 7.737 5.132 4.236 1.00 1.22 H new ATOM 0 HA THR A 24 6.894 7.654 2.991 1.00 1.24 H new ATOM 0 HB THR A 24 8.363 5.233 1.877 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.235 7.667 3.121 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.142 6.850 0.171 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.369 6.702 0.149 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.134 8.117 0.910 1.00 1.31 H new ATOM 400 N LEU A 25 5.490 4.806 2.276 1.00 1.13 N ATOM 401 CA LEU A 25 4.311 4.220 1.620 1.00 1.07 C ATOM 402 C LEU A 25 3.084 4.859 2.265 1.00 1.03 C ATOM 403 O LEU A 25 2.062 5.061 1.632 1.00 0.99 O ATOM 404 CB LEU A 25 4.324 2.712 1.865 1.00 1.03 C ATOM 405 CG LEU A 25 5.551 2.075 1.194 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.540 0.555 1.451 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.553 2.372 -0.325 1.00 1.09 C ATOM 0 H LEU A 25 6.022 4.166 2.866 1.00 1.13 H new ATOM 0 HA LEU A 25 4.305 4.398 0.545 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.341 2.511 2.936 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.412 2.264 1.471 1.00 1.03 H new ATOM 0 HG LEU A 25 6.458 2.503 1.620 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.409 0.099 0.976 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.573 0.367 2.524 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.631 0.122 1.034 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.429 1.914 -0.784 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.650 1.962 -0.777 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.582 3.450 -0.485 1.00 1.09 H new ATOM 419 N ILE A 26 3.197 5.219 3.521 1.00 1.04 N ATOM 420 CA ILE A 26 2.060 5.883 4.198 1.00 1.01 C ATOM 421 C ILE A 26 1.859 7.224 3.516 1.00 1.05 C ATOM 422 O ILE A 26 0.765 7.676 3.367 1.00 1.02 O ATOM 423 CB ILE A 26 2.365 6.113 5.692 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.582 4.765 6.382 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.185 6.826 6.374 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.755 4.972 7.889 1.00 1.01 C ATOM 0 H ILE A 26 4.027 5.079 4.097 1.00 1.04 H new ATOM 0 HA ILE A 26 1.169 5.258 4.131 1.00 1.01 H new ATOM 0 HB ILE A 26 3.260 6.729 5.773 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.733 4.108 6.192 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.464 4.274 5.970 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.414 6.982 7.428 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.015 7.789 5.893 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.288 6.213 6.284 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.909 4.008 8.373 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.618 5.612 8.072 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.861 5.444 8.296 1.00 1.01 H new ATOM 438 N THR A 27 2.922 7.866 3.117 1.00 1.11 N ATOM 439 CA THR A 27 2.790 9.199 2.457 1.00 1.15 C ATOM 440 C THR A 27 2.031 9.082 1.117 1.00 1.12 C ATOM 441 O THR A 27 1.200 9.910 0.798 1.00 1.12 O ATOM 442 CB THR A 27 4.195 9.781 2.228 1.00 1.23 C ATOM 443 OG1 THR A 27 4.742 10.176 3.478 1.00 1.27 O ATOM 444 CG2 THR A 27 4.118 10.999 1.302 1.00 1.27 C ATOM 0 H THR A 27 3.878 7.526 3.219 1.00 1.11 H new ATOM 0 HA THR A 27 2.216 9.863 3.103 1.00 1.15 H new ATOM 0 HB THR A 27 4.827 9.023 1.765 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.639 10.547 3.340 1.00 1.27 H new ATOM 0 HG21 THR A 27 5.119 11.402 1.147 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.695 10.701 0.343 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.486 11.762 1.756 1.00 1.27 H new ATOM 452 N PHE A 28 2.304 8.076 0.328 1.00 1.10 N ATOM 453 CA PHE A 28 1.586 7.949 -0.986 1.00 1.07 C ATOM 454 C PHE A 28 0.077 7.780 -0.725 1.00 1.01 C ATOM 455 O PHE A 28 -0.760 8.436 -1.339 1.00 1.02 O ATOM 456 CB PHE A 28 2.165 6.743 -1.777 1.00 1.05 C ATOM 457 CG PHE A 28 1.109 6.110 -2.665 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.573 6.835 -3.736 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.649 4.813 -2.398 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.422 6.266 -4.535 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.342 4.242 -3.205 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.880 4.969 -4.271 1.00 1.00 C ATOM 0 H PHE A 28 2.984 7.342 0.528 1.00 1.10 H new ATOM 0 HA PHE A 28 1.731 8.848 -1.586 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.005 7.075 -2.387 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.551 5.999 -1.080 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.928 7.833 -3.944 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.059 4.254 -1.570 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.839 6.828 -5.358 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.691 3.240 -3.004 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.648 4.531 -4.891 1.00 1.00 H new ATOM 472 N VAL A 29 -0.283 6.915 0.178 1.00 0.97 N ATOM 473 CA VAL A 29 -1.727 6.726 0.465 1.00 0.92 C ATOM 474 C VAL A 29 -2.276 8.012 1.094 1.00 0.95 C ATOM 475 O VAL A 29 -3.344 8.469 0.747 1.00 0.94 O ATOM 476 CB VAL A 29 -1.910 5.545 1.418 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.397 5.204 1.534 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.153 4.332 0.872 1.00 0.85 C ATOM 0 H VAL A 29 0.354 6.336 0.725 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.270 6.514 -0.456 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.521 5.809 2.401 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.525 4.362 2.214 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.939 6.067 1.920 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.787 4.940 0.551 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.281 3.488 1.549 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.545 4.071 -0.111 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.093 4.572 0.788 1.00 0.85 H new ATOM 488 N ASN A 30 -1.539 8.609 1.999 1.00 0.99 N ATOM 489 CA ASN A 30 -2.001 9.878 2.636 1.00 1.03 C ATOM 490 C ASN A 30 -2.193 10.915 1.543 1.00 1.06 C ATOM 491 O ASN A 30 -2.826 11.918 1.733 1.00 1.09 O ATOM 492 CB ASN A 30 -0.945 10.390 3.641 1.00 1.08 C ATOM 493 CG ASN A 30 -1.622 10.985 4.876 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.908 10.198 5.872 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.891 12.169 4.933 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.634 8.269 2.324 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.935 9.701 3.170 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.290 9.571 3.938 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.317 11.143 3.165 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.665 12.782 4.150 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.343 12.550 5.764 1.00 1.06 H new ATOM 502 N LYS A 31 -1.626 10.678 0.405 1.00 1.07 N ATOM 503 CA LYS A 31 -1.746 11.649 -0.696 1.00 1.11 C ATOM 504 C LYS A 31 -3.124 11.520 -1.318 1.00 1.06 C ATOM 505 O LYS A 31 -3.887 12.471 -1.361 1.00 1.08 O ATOM 506 CB LYS A 31 -0.667 11.357 -1.750 1.00 1.13 C ATOM 507 CG LYS A 31 -0.434 12.598 -2.617 1.00 1.18 C ATOM 508 CD LYS A 31 0.364 12.209 -3.863 1.00 1.19 C ATOM 509 CE LYS A 31 0.754 13.471 -4.635 1.00 1.23 C ATOM 510 NZ LYS A 31 1.843 14.181 -3.906 1.00 1.29 N ATOM 0 H LYS A 31 -1.079 9.844 0.190 1.00 1.07 H new ATOM 0 HA LYS A 31 -1.611 12.662 -0.318 1.00 1.11 H new ATOM 0 HB2 LYS A 31 0.262 11.065 -1.260 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -0.975 10.519 -2.375 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -1.389 13.037 -2.906 1.00 1.18 H new ATOM 0 HG3 LYS A 31 0.106 13.355 -2.049 1.00 1.18 H new ATOM 0 HD2 LYS A 31 1.258 11.654 -3.577 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.230 11.551 -4.497 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.085 13.208 -5.640 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -0.111 14.125 -4.745 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.315 14.847 -4.550 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.439 14.704 -3.103 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 2.535 13.488 -3.556 1.00 1.29 H new ATOM 524 N HIS A 32 -3.485 10.353 -1.783 1.00 1.01 N ATOM 525 CA HIS A 32 -4.788 10.208 -2.378 1.00 0.97 C ATOM 526 C HIS A 32 -5.821 10.347 -1.264 1.00 0.95 C ATOM 527 O HIS A 32 -6.958 10.676 -1.482 1.00 0.95 O ATOM 528 CB HIS A 32 -4.817 8.823 -3.048 1.00 0.91 C ATOM 529 CG HIS A 32 -4.783 8.948 -4.554 1.00 0.93 C ATOM 530 ND1 HIS A 32 -5.257 10.069 -5.219 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.288 8.118 -5.529 1.00 0.98 C ATOM 532 CE1 HIS A 32 -5.033 9.888 -6.530 1.00 0.93 C ATOM 533 NE2 HIS A 32 -4.447 8.713 -6.776 1.00 0.98 N ATOM 0 H HIS A 32 -2.913 9.509 -1.764 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.011 10.963 -3.132 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -3.965 8.234 -2.709 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.716 8.287 -2.744 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.843 7.150 -5.354 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -5.295 10.605 -7.294 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -4.175 8.334 -7.683 1.00 0.98 H new ATOM 541 N LEU A 33 -5.407 10.156 -0.057 1.00 0.95 N ATOM 542 CA LEU A 33 -6.339 10.330 1.076 1.00 0.94 C ATOM 543 C LEU A 33 -6.345 11.822 1.376 1.00 1.01 C ATOM 544 O LEU A 33 -7.382 12.435 1.534 1.00 1.02 O ATOM 545 CB LEU A 33 -5.819 9.540 2.276 1.00 0.92 C ATOM 546 CG LEU A 33 -6.323 8.085 2.246 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.640 7.294 3.372 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.855 8.036 2.435 1.00 0.84 C ATOM 0 H LEU A 33 -4.457 9.885 0.198 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.344 9.971 0.852 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.729 9.550 2.277 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.143 10.021 3.199 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.080 7.645 1.279 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.992 6.262 3.357 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.560 7.311 3.225 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.883 7.746 4.333 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.192 7.000 2.411 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.118 8.480 3.395 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.339 8.593 1.633 1.00 0.84 H new ATOM 560 N ASN A 34 -5.176 12.418 1.430 1.00 1.05 N ATOM 561 CA ASN A 34 -5.103 13.884 1.691 1.00 1.12 C ATOM 562 C ASN A 34 -6.135 14.619 0.819 1.00 1.14 C ATOM 563 O ASN A 34 -6.659 15.637 1.223 1.00 1.18 O ATOM 564 CB ASN A 34 -3.690 14.413 1.384 1.00 1.18 C ATOM 565 CG ASN A 34 -3.707 15.942 1.261 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.793 16.642 2.250 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.627 16.490 0.079 1.00 1.29 N ATOM 0 H ASN A 34 -4.277 11.952 1.305 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.324 14.065 2.743 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.003 14.113 2.175 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.323 13.971 0.458 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.637 17.506 -0.014 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.555 15.903 -0.752 1.00 1.29 H new ATOM 574 N LYS A 35 -6.450 14.140 -0.373 1.00 1.11 N ATOM 575 CA LYS A 35 -7.472 14.902 -1.178 1.00 1.13 C ATOM 576 C LYS A 35 -8.707 15.102 -0.300 1.00 1.11 C ATOM 577 O LYS A 35 -9.081 16.209 0.031 1.00 1.16 O ATOM 578 CB LYS A 35 -7.879 14.135 -2.440 1.00 1.10 C ATOM 579 CG LYS A 35 -6.673 13.425 -3.034 1.00 0.97 C ATOM 580 CD LYS A 35 -5.566 14.434 -3.363 1.00 1.01 C ATOM 581 CE LYS A 35 -4.406 13.709 -4.065 1.00 1.10 C ATOM 582 NZ LYS A 35 -3.853 14.580 -5.141 1.00 1.15 N ATOM 0 H LYS A 35 -6.066 13.299 -0.805 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.041 15.854 -1.488 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -8.655 13.409 -2.199 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -8.302 14.823 -3.172 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -6.298 12.681 -2.331 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -6.966 12.890 -3.937 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -5.957 15.223 -4.005 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -5.211 14.912 -2.450 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -3.626 13.465 -3.344 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -4.755 12.767 -4.488 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -2.886 14.275 -5.371 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -4.451 14.506 -5.989 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -3.836 15.567 -4.814 1.00 1.15 H new ATOM 596 N LEU A 36 -9.312 14.024 0.112 1.00 1.04 N ATOM 597 CA LEU A 36 -10.495 14.131 1.013 1.00 1.02 C ATOM 598 C LEU A 36 -9.985 14.596 2.382 1.00 1.05 C ATOM 599 O LEU A 36 -10.700 14.641 3.359 1.00 1.03 O ATOM 600 CB LEU A 36 -11.144 12.750 1.121 1.00 0.95 C ATOM 601 CG LEU A 36 -12.318 12.735 2.120 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.235 13.944 1.894 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.126 11.450 1.915 1.00 0.89 C ATOM 0 H LEU A 36 -9.039 13.073 -0.136 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.234 14.838 0.635 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.501 12.440 0.139 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.395 12.022 1.432 1.00 0.95 H new ATOM 0 HG LEU A 36 -11.921 12.780 3.134 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.057 13.915 2.609 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -12.666 14.863 2.032 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.634 13.913 0.880 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -13.960 11.429 2.617 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.509 11.420 0.895 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.485 10.586 2.087 1.00 0.89 H new ATOM 615 N ASN A 37 -8.729 14.937 2.431 1.00 1.11 N ATOM 616 CA ASN A 37 -8.086 15.410 3.680 1.00 1.16 C ATOM 617 C ASN A 37 -8.340 14.445 4.827 1.00 1.11 C ATOM 618 O ASN A 37 -9.082 14.713 5.748 1.00 1.12 O ATOM 619 CB ASN A 37 -8.554 16.819 4.017 1.00 1.22 C ATOM 620 CG ASN A 37 -10.003 16.835 4.516 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.255 16.718 5.699 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.973 16.997 3.658 1.00 1.21 N ATOM 0 H ASN A 37 -8.103 14.905 1.626 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.008 15.444 3.522 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -7.902 17.245 4.780 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -8.467 17.452 3.134 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.940 17.025 3.981 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -10.764 17.095 2.665 1.00 1.21 H new ATOM 629 N LEU A 38 -7.681 13.324 4.773 1.00 1.06 N ATOM 630 CA LEU A 38 -7.808 12.295 5.858 1.00 1.02 C ATOM 631 C LEU A 38 -6.412 12.025 6.431 1.00 1.02 C ATOM 632 O LEU A 38 -5.545 12.875 6.376 1.00 1.06 O ATOM 633 CB LEU A 38 -8.417 11.010 5.286 1.00 0.98 C ATOM 634 CG LEU A 38 -9.916 11.218 5.007 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.414 10.118 4.064 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.725 11.171 6.319 1.00 1.02 C ATOM 0 H LEU A 38 -7.049 13.067 4.015 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.464 12.656 6.650 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.902 10.732 4.366 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.280 10.188 5.989 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.054 12.196 4.546 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.476 10.263 3.865 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.859 10.164 3.127 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.262 9.144 4.529 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.782 11.320 6.100 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.587 10.201 6.797 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.379 11.958 6.988 1.00 1.02 H new ATOM 648 N GLU A 39 -6.178 10.871 6.990 1.00 1.02 N ATOM 649 CA GLU A 39 -4.828 10.602 7.565 1.00 1.03 C ATOM 650 C GLU A 39 -4.656 9.114 7.898 1.00 0.98 C ATOM 651 O GLU A 39 -5.377 8.553 8.700 1.00 0.95 O ATOM 652 CB GLU A 39 -4.652 11.428 8.841 1.00 1.08 C ATOM 653 CG GLU A 39 -3.183 11.404 9.271 1.00 1.11 C ATOM 654 CD GLU A 39 -2.976 12.375 10.435 1.00 1.16 C ATOM 655 OE1 GLU A 39 -2.802 13.553 10.174 1.00 1.24 O ATOM 656 OE2 GLU A 39 -2.996 11.922 11.568 1.00 1.13 O ATOM 0 H GLU A 39 -6.852 10.110 7.074 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.076 10.879 6.826 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.974 12.455 8.669 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.280 11.026 9.636 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.897 10.395 9.570 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.543 11.682 8.433 1.00 1.11 H new ATOM 663 N VAL A 40 -3.683 8.484 7.294 1.00 0.98 N ATOM 664 CA VAL A 40 -3.405 7.032 7.558 1.00 0.94 C ATOM 665 C VAL A 40 -2.106 6.917 8.369 1.00 0.95 C ATOM 666 O VAL A 40 -1.302 7.828 8.388 1.00 0.99 O ATOM 667 CB VAL A 40 -3.245 6.306 6.219 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.285 7.098 5.324 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.692 4.893 6.453 1.00 0.89 C ATOM 0 H VAL A 40 -3.056 8.918 6.617 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.226 6.584 8.118 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.217 6.229 5.731 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.169 6.584 4.370 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.688 8.096 5.152 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.314 7.178 5.813 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.581 4.383 5.496 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.721 4.959 6.944 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.381 4.333 7.085 1.00 0.89 H new ATOM 679 N THR A 41 -1.896 5.814 9.052 1.00 0.93 N ATOM 680 CA THR A 41 -0.645 5.666 9.872 1.00 0.95 C ATOM 681 C THR A 41 -0.121 4.223 9.839 1.00 0.91 C ATOM 682 O THR A 41 1.010 3.974 10.207 1.00 0.96 O ATOM 683 CB THR A 41 -0.956 6.029 11.331 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.923 7.069 11.363 1.00 1.12 O ATOM 685 CG2 THR A 41 0.319 6.493 12.043 1.00 1.20 C ATOM 0 H THR A 41 -2.530 5.015 9.078 1.00 0.93 H new ATOM 0 HA THR A 41 0.113 6.327 9.453 1.00 0.95 H new ATOM 0 HB THR A 41 -1.346 5.149 11.842 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.124 7.301 12.294 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.086 6.748 13.077 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.058 5.692 12.024 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.721 7.370 11.535 1.00 1.20 H new ATOM 693 N GLU A 42 -0.929 3.269 9.444 1.00 0.86 N ATOM 694 CA GLU A 42 -0.462 1.841 9.437 1.00 0.83 C ATOM 695 C GLU A 42 -0.595 1.236 8.043 1.00 0.81 C ATOM 696 O GLU A 42 -1.538 0.535 7.752 1.00 0.88 O ATOM 697 CB GLU A 42 -1.322 1.035 10.413 1.00 0.78 C ATOM 698 CG GLU A 42 -1.261 1.681 11.799 1.00 0.77 C ATOM 699 CD GLU A 42 0.171 1.618 12.331 1.00 0.78 C ATOM 700 OE1 GLU A 42 0.802 0.587 12.159 1.00 0.84 O ATOM 701 OE2 GLU A 42 0.614 2.601 12.903 1.00 0.83 O ATOM 0 H GLU A 42 -1.888 3.413 9.127 1.00 0.86 H new ATOM 0 HA GLU A 42 0.587 1.811 9.733 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.353 0.999 10.062 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.966 0.006 10.464 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -1.594 2.717 11.743 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -1.936 1.166 12.482 1.00 0.77 H new ATOM 708 N LEU A 43 0.356 1.468 7.182 1.00 0.80 N ATOM 709 CA LEU A 43 0.270 0.872 5.825 1.00 0.78 C ATOM 710 C LEU A 43 0.102 -0.642 5.983 1.00 0.74 C ATOM 711 O LEU A 43 -0.705 -1.272 5.329 1.00 0.70 O ATOM 712 CB LEU A 43 1.563 1.204 5.058 1.00 0.86 C ATOM 713 CG LEU A 43 1.638 0.453 3.713 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.979 -1.043 3.915 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.305 0.605 2.962 1.00 0.90 C ATOM 0 H LEU A 43 1.182 2.040 7.359 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.577 1.271 5.267 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.614 2.278 4.878 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.426 0.942 5.670 1.00 0.86 H new ATOM 0 HG LEU A 43 2.440 0.892 3.120 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.023 -1.540 2.946 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.944 -1.132 4.413 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.210 -1.512 4.528 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.360 0.074 2.012 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.502 0.188 3.565 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.110 1.661 2.776 1.00 0.90 H new ATOM 727 N GLU A 44 0.874 -1.236 6.841 1.00 0.79 N ATOM 728 CA GLU A 44 0.775 -2.712 7.031 1.00 0.77 C ATOM 729 C GLU A 44 -0.686 -3.143 7.290 1.00 0.69 C ATOM 730 O GLU A 44 -1.273 -3.923 6.557 1.00 0.70 O ATOM 731 CB GLU A 44 1.650 -3.130 8.236 1.00 0.83 C ATOM 732 CG GLU A 44 2.602 -1.999 8.612 1.00 0.84 C ATOM 733 CD GLU A 44 3.578 -2.483 9.685 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.541 -3.660 10.004 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.346 -1.669 10.171 1.00 1.11 O ATOM 0 H GLU A 44 1.570 -0.768 7.421 1.00 0.79 H new ATOM 0 HA GLU A 44 1.123 -3.201 6.121 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.016 -3.379 9.087 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.218 -4.027 7.989 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.151 -1.665 7.732 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.037 -1.142 8.980 1.00 0.84 H new ATOM 742 N THR A 45 -1.255 -2.660 8.350 1.00 0.65 N ATOM 743 CA THR A 45 -2.648 -3.050 8.708 1.00 0.60 C ATOM 744 C THR A 45 -3.663 -2.360 7.798 1.00 0.58 C ATOM 745 O THR A 45 -4.851 -2.584 7.909 1.00 0.58 O ATOM 746 CB THR A 45 -2.921 -2.659 10.162 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.953 -1.243 10.271 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.815 -3.218 11.059 1.00 0.64 C ATOM 0 H THR A 45 -0.814 -2.004 8.994 1.00 0.65 H new ATOM 0 HA THR A 45 -2.750 -4.128 8.581 1.00 0.60 H new ATOM 0 HB THR A 45 -3.881 -3.070 10.476 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.129 -0.990 11.201 1.00 0.84 H new ATOM 0 HG21 THR A 45 -2.010 -2.939 12.094 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.792 -4.304 10.974 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.853 -2.809 10.748 1.00 0.64 H new ATOM 756 N GLN A 46 -3.227 -1.538 6.888 1.00 0.59 N ATOM 757 CA GLN A 46 -4.203 -0.876 5.996 1.00 0.59 C ATOM 758 C GLN A 46 -4.673 -1.904 4.984 1.00 0.54 C ATOM 759 O GLN A 46 -5.705 -1.758 4.361 1.00 0.58 O ATOM 760 CB GLN A 46 -3.561 0.324 5.289 1.00 0.65 C ATOM 761 CG GLN A 46 -3.545 1.543 6.246 1.00 0.66 C ATOM 762 CD GLN A 46 -4.682 2.515 5.902 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.694 3.100 4.837 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.638 2.713 6.767 1.00 1.04 N ATOM 0 H GLN A 46 -2.248 -1.300 6.727 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.048 -0.499 6.573 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.545 0.077 4.981 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.118 0.567 4.384 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.648 1.204 7.277 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.586 2.056 6.174 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.627 2.221 7.661 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.397 3.359 6.550 1.00 1.04 H new ATOM 773 N PHE A 47 -3.931 -2.974 4.847 1.00 0.50 N ATOM 774 CA PHE A 47 -4.333 -4.049 3.916 1.00 0.49 C ATOM 775 C PHE A 47 -5.048 -5.093 4.747 1.00 0.46 C ATOM 776 O PHE A 47 -5.747 -5.946 4.243 1.00 0.49 O ATOM 777 CB PHE A 47 -3.091 -4.658 3.261 1.00 0.54 C ATOM 778 CG PHE A 47 -2.743 -3.913 1.990 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.030 -2.711 2.054 1.00 0.75 C ATOM 780 CD2 PHE A 47 -3.120 -4.436 0.748 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.695 -2.033 0.876 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.782 -3.763 -0.430 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.069 -2.561 -0.366 1.00 0.89 C ATOM 0 H PHE A 47 -3.059 -3.142 5.348 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.978 -3.669 3.124 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.251 -4.619 3.954 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.270 -5.709 3.036 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.738 -2.306 3.012 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.674 -5.362 0.699 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.148 -1.103 0.925 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -3.071 -4.170 -1.388 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.807 -2.040 -1.275 1.00 0.89 H new ATOM 793 N ALA A 48 -4.896 -5.000 6.032 1.00 0.42 N ATOM 794 CA ALA A 48 -5.585 -5.958 6.939 1.00 0.40 C ATOM 795 C ALA A 48 -7.081 -5.696 6.866 1.00 0.36 C ATOM 796 O ALA A 48 -7.825 -5.950 7.792 1.00 0.36 O ATOM 797 CB ALA A 48 -5.091 -5.782 8.377 1.00 0.42 C ATOM 0 H ALA A 48 -4.321 -4.299 6.499 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.367 -6.980 6.629 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.605 -6.490 9.027 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -4.017 -5.965 8.418 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.299 -4.766 8.711 1.00 0.42 H new ATOM 803 N ASP A 49 -7.513 -5.178 5.756 1.00 0.34 N ATOM 804 CA ASP A 49 -8.948 -4.870 5.568 1.00 0.32 C ATOM 805 C ASP A 49 -9.196 -4.459 4.112 1.00 0.31 C ATOM 806 O ASP A 49 -10.317 -4.415 3.651 1.00 0.31 O ATOM 807 CB ASP A 49 -9.321 -3.717 6.501 1.00 0.32 C ATOM 808 CG ASP A 49 -8.657 -2.421 6.027 1.00 0.33 C ATOM 809 OD1 ASP A 49 -7.811 -2.496 5.151 1.00 0.36 O ATOM 810 OD2 ASP A 49 -9.006 -1.375 6.549 1.00 0.34 O ATOM 0 H ASP A 49 -6.920 -4.952 4.958 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.555 -5.746 5.797 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.404 -3.593 6.524 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -9.005 -3.946 7.519 1.00 0.32 H new ATOM 815 N GLY A 50 -8.153 -4.154 3.387 1.00 0.32 N ATOM 816 CA GLY A 50 -8.324 -3.736 1.959 1.00 0.33 C ATOM 817 C GLY A 50 -9.296 -2.534 1.851 1.00 0.33 C ATOM 818 O GLY A 50 -9.542 -2.006 0.768 1.00 0.34 O ATOM 0 H GLY A 50 -7.189 -4.175 3.719 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.356 -3.466 1.536 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.706 -4.572 1.374 1.00 0.33 H new ATOM 822 N VAL A 51 -9.863 -2.103 2.954 1.00 0.33 N ATOM 823 CA VAL A 51 -10.829 -0.962 2.910 1.00 0.36 C ATOM 824 C VAL A 51 -10.116 0.331 2.518 1.00 0.40 C ATOM 825 O VAL A 51 -10.410 0.939 1.510 1.00 0.42 O ATOM 826 CB VAL A 51 -11.439 -0.772 4.295 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.317 0.486 4.312 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.296 -1.987 4.655 1.00 0.36 C ATOM 0 H VAL A 51 -9.697 -2.493 3.882 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.600 -1.187 2.173 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.634 -0.663 5.022 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.749 0.615 5.304 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.710 1.357 4.065 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.117 0.381 3.579 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.729 -1.846 5.645 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -13.095 -2.099 3.922 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.675 -2.883 4.655 1.00 0.36 H new ATOM 838 N TYR A 52 -9.175 0.766 3.303 1.00 0.41 N ATOM 839 CA TYR A 52 -8.463 2.020 2.950 1.00 0.47 C ATOM 840 C TYR A 52 -7.918 1.875 1.533 1.00 0.47 C ATOM 841 O TYR A 52 -7.457 2.819 0.924 1.00 0.51 O ATOM 842 CB TYR A 52 -7.305 2.245 3.922 1.00 0.49 C ATOM 843 CG TYR A 52 -7.844 2.719 5.251 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.048 4.086 5.475 1.00 0.48 C ATOM 845 CD2 TYR A 52 -8.139 1.793 6.258 1.00 0.57 C ATOM 846 CE1 TYR A 52 -8.546 4.527 6.707 1.00 0.51 C ATOM 847 CE2 TYR A 52 -8.637 2.233 7.490 1.00 0.60 C ATOM 848 CZ TYR A 52 -8.840 3.600 7.715 1.00 0.57 C ATOM 849 OH TYR A 52 -9.331 4.034 8.929 1.00 0.60 O ATOM 0 H TYR A 52 -8.871 0.313 4.165 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.144 2.869 3.009 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.743 1.320 4.055 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.613 2.982 3.515 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.821 4.800 4.697 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -7.982 0.739 6.085 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -8.703 5.581 6.880 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -8.865 1.518 8.267 1.00 0.60 H new ATOM 0 HH TYR A 52 -9.483 3.263 9.515 1.00 0.60 H new ATOM 859 N LEU A 53 -7.962 0.682 1.013 1.00 0.43 N ATOM 860 CA LEU A 53 -7.425 0.445 -0.357 1.00 0.44 C ATOM 861 C LEU A 53 -8.382 0.978 -1.422 1.00 0.45 C ATOM 862 O LEU A 53 -8.034 1.874 -2.167 1.00 0.50 O ATOM 863 CB LEU A 53 -7.190 -1.070 -0.545 1.00 0.41 C ATOM 864 CG LEU A 53 -5.791 -1.352 -1.129 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.543 -0.486 -2.385 1.00 0.44 C ATOM 866 CD2 LEU A 53 -4.712 -1.081 -0.050 1.00 0.46 C ATOM 0 H LEU A 53 -8.347 -0.141 1.477 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.482 0.980 -0.470 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.295 -1.578 0.414 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.952 -1.479 -1.208 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.733 -2.399 -1.428 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.551 -0.698 -2.783 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -6.294 -0.717 -3.140 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.609 0.569 -2.118 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -3.724 -1.281 -0.465 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -4.768 -0.040 0.267 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -4.884 -1.731 0.808 1.00 0.46 H new ATOM 878 N VAL A 54 -9.578 0.461 -1.531 1.00 0.43 N ATOM 879 CA VAL A 54 -10.458 1.022 -2.597 1.00 0.46 C ATOM 880 C VAL A 54 -10.686 2.505 -2.290 1.00 0.51 C ATOM 881 O VAL A 54 -11.042 3.285 -3.155 1.00 0.55 O ATOM 882 CB VAL A 54 -11.798 0.277 -2.688 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.421 0.511 -4.069 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.575 -1.226 -2.492 1.00 0.41 C ATOM 0 H VAL A 54 -9.969 -0.288 -0.960 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.970 0.901 -3.564 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.464 0.651 -1.911 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.372 -0.018 -4.133 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.588 1.578 -4.217 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -11.746 0.139 -4.840 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.530 -1.747 -2.558 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -10.904 -1.598 -3.266 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.132 -1.403 -1.512 1.00 0.41 H new ATOM 894 N LEU A 55 -10.472 2.908 -1.062 1.00 0.52 N ATOM 895 CA LEU A 55 -10.670 4.341 -0.713 1.00 0.58 C ATOM 896 C LEU A 55 -9.680 5.187 -1.536 1.00 0.62 C ATOM 897 O LEU A 55 -10.081 6.021 -2.318 1.00 0.66 O ATOM 898 CB LEU A 55 -10.423 4.522 0.805 1.00 0.59 C ATOM 899 CG LEU A 55 -11.457 5.475 1.459 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.715 6.712 0.579 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.777 4.730 1.708 1.00 0.67 C ATOM 0 H LEU A 55 -10.171 2.309 -0.294 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.686 4.663 -0.943 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.466 3.550 1.296 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.419 4.915 0.963 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.045 5.814 2.410 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.444 7.359 1.066 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -10.783 7.258 0.437 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -12.101 6.395 -0.390 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.496 5.408 2.167 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -13.174 4.367 0.760 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.598 3.885 2.373 1.00 0.67 H new ATOM 913 N LEU A 56 -8.392 4.966 -1.385 1.00 0.62 N ATOM 914 CA LEU A 56 -7.403 5.762 -2.181 1.00 0.66 C ATOM 915 C LEU A 56 -7.801 5.691 -3.661 1.00 0.67 C ATOM 916 O LEU A 56 -7.757 6.676 -4.379 1.00 0.72 O ATOM 917 CB LEU A 56 -5.973 5.217 -1.935 1.00 0.65 C ATOM 918 CG LEU A 56 -5.629 4.047 -2.882 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.227 4.563 -4.292 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.474 3.233 -2.272 1.00 0.66 C ATOM 0 H LEU A 56 -7.988 4.276 -0.752 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.407 6.807 -1.872 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.250 6.021 -2.074 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -5.885 4.884 -0.901 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.511 3.418 -2.997 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.991 3.716 -4.936 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -6.055 5.126 -4.723 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.353 5.209 -4.207 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.224 2.404 -2.934 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.602 3.875 -2.149 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.777 2.843 -1.301 1.00 0.66 H new ATOM 932 N MET A 57 -8.219 4.541 -4.115 1.00 0.62 N ATOM 933 CA MET A 57 -8.646 4.415 -5.537 1.00 0.63 C ATOM 934 C MET A 57 -9.812 5.371 -5.779 1.00 0.68 C ATOM 935 O MET A 57 -10.093 5.764 -6.893 1.00 0.72 O ATOM 936 CB MET A 57 -9.095 2.978 -5.817 1.00 0.58 C ATOM 937 CG MET A 57 -7.895 2.036 -5.705 1.00 0.55 C ATOM 938 SD MET A 57 -6.788 2.295 -7.114 1.00 0.60 S ATOM 939 CE MET A 57 -7.511 1.048 -8.208 1.00 0.57 C ATOM 0 H MET A 57 -8.283 3.685 -3.564 1.00 0.62 H new ATOM 0 HA MET A 57 -7.815 4.661 -6.198 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.869 2.683 -5.109 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.532 2.910 -6.813 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.362 2.219 -4.772 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.234 1.000 -5.681 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.970 1.037 -9.154 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.441 0.067 -7.738 1.00 0.57 H new ATOM 0 HE3 MET A 57 -8.558 1.288 -8.392 1.00 0.57 H new ATOM 949 N GLY A 58 -10.496 5.744 -4.735 1.00 0.67 N ATOM 950 CA GLY A 58 -11.644 6.677 -4.888 1.00 0.73 C ATOM 951 C GLY A 58 -11.135 8.101 -5.086 1.00 0.79 C ATOM 952 O GLY A 58 -11.407 8.732 -6.088 1.00 0.84 O ATOM 0 H GLY A 58 -10.308 5.441 -3.779 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.255 6.379 -5.740 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.282 6.629 -4.006 1.00 0.73 H new ATOM 956 N LEU A 59 -10.396 8.615 -4.145 1.00 0.79 N ATOM 957 CA LEU A 59 -9.873 10.002 -4.294 1.00 0.86 C ATOM 958 C LEU A 59 -9.156 10.092 -5.641 1.00 0.88 C ATOM 959 O LEU A 59 -8.956 11.161 -6.182 1.00 0.94 O ATOM 960 CB LEU A 59 -8.914 10.349 -3.130 1.00 0.86 C ATOM 961 CG LEU A 59 -9.618 10.279 -1.729 1.00 0.82 C ATOM 962 CD1 LEU A 59 -11.148 10.450 -1.807 1.00 0.82 C ATOM 963 CD2 LEU A 59 -9.323 8.945 -1.055 1.00 0.87 C ATOM 0 H LEU A 59 -10.132 8.139 -3.283 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.692 10.721 -4.262 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.069 9.661 -3.143 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.512 11.351 -3.281 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.214 11.110 -1.151 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.572 10.391 -0.805 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -11.384 11.420 -2.245 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.571 9.660 -2.427 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -9.818 8.911 -0.084 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -9.693 8.132 -1.680 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -8.247 8.837 -0.918 1.00 0.87 H new ATOM 975 N LEU A 60 -8.806 8.965 -6.205 1.00 0.84 N ATOM 976 CA LEU A 60 -8.147 8.977 -7.542 1.00 0.87 C ATOM 977 C LEU A 60 -9.239 9.215 -8.588 1.00 0.91 C ATOM 978 O LEU A 60 -9.103 10.032 -9.477 1.00 0.96 O ATOM 979 CB LEU A 60 -7.447 7.621 -7.773 1.00 0.82 C ATOM 980 CG LEU A 60 -6.961 7.451 -9.234 1.00 0.87 C ATOM 981 CD1 LEU A 60 -8.139 7.174 -10.203 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.189 8.701 -9.683 1.00 0.91 C ATOM 0 H LEU A 60 -8.948 8.041 -5.798 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.394 9.762 -7.611 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.596 7.534 -7.097 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.135 6.813 -7.525 1.00 0.82 H new ATOM 0 HG LEU A 60 -6.298 6.586 -9.264 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -7.757 7.061 -11.217 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -8.649 6.259 -9.903 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -8.841 8.008 -10.170 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.852 8.571 -10.711 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.841 9.573 -9.622 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -5.326 8.848 -9.034 1.00 0.91 H new ATOM 994 N GLU A 61 -10.335 8.514 -8.475 1.00 0.87 N ATOM 995 CA GLU A 61 -11.445 8.703 -9.449 1.00 0.91 C ATOM 996 C GLU A 61 -12.010 10.120 -9.308 1.00 0.96 C ATOM 997 O GLU A 61 -12.539 10.681 -10.247 1.00 1.00 O ATOM 998 CB GLU A 61 -12.550 7.683 -9.167 1.00 0.86 C ATOM 999 CG GLU A 61 -12.100 6.298 -9.635 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.247 5.301 -9.457 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.868 5.324 -8.407 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -13.484 4.531 -10.373 1.00 0.74 O ATOM 0 H GLU A 61 -10.508 7.819 -7.749 1.00 0.87 H new ATOM 0 HA GLU A 61 -11.069 8.560 -10.462 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.776 7.662 -8.101 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -13.466 7.972 -9.682 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -11.797 6.337 -10.681 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.230 5.974 -9.063 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.899 10.704 -8.140 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.426 12.090 -7.932 1.00 1.01 C ATOM 1011 C GLY A 62 -13.788 12.029 -7.239 1.00 1.00 C ATOM 1012 O GLY A 62 -14.659 12.839 -7.488 1.00 1.03 O ATOM 0 H GLY A 62 -11.465 10.280 -7.320 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.726 12.668 -7.328 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.518 12.601 -8.890 1.00 1.01 H new ATOM 1016 N TYR A 63 -13.976 11.080 -6.369 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.281 10.971 -5.654 1.00 0.95 C ATOM 1018 C TYR A 63 -15.097 10.120 -4.392 1.00 0.93 C ATOM 1019 O TYR A 63 -14.311 9.194 -4.362 1.00 0.89 O ATOM 1020 CB TYR A 63 -16.326 10.321 -6.582 1.00 0.91 C ATOM 1021 CG TYR A 63 -17.008 11.386 -7.416 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -17.963 12.224 -6.827 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -16.686 11.536 -8.771 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -18.596 13.211 -7.591 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -17.319 12.523 -9.535 1.00 0.98 C ATOM 1026 CZ TYR A 63 -18.274 13.361 -8.945 1.00 1.02 C ATOM 1027 OH TYR A 63 -18.898 14.334 -9.698 1.00 1.06 O ATOM 0 H TYR A 63 -13.284 10.373 -6.120 1.00 0.96 H new ATOM 0 HA TYR A 63 -15.629 11.964 -5.370 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -15.844 9.591 -7.232 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -17.065 9.781 -5.990 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -18.211 12.108 -5.782 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -15.950 10.890 -9.226 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -19.333 13.857 -7.136 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -17.071 12.639 -10.580 1.00 0.98 H new ATOM 0 HH TYR A 63 -18.559 14.304 -10.617 1.00 1.06 H new ATOM 1037 N PHE A 64 -15.819 10.434 -3.351 1.00 0.95 N ATOM 1038 CA PHE A 64 -15.693 9.655 -2.088 1.00 0.93 C ATOM 1039 C PHE A 64 -16.151 8.213 -2.324 1.00 0.86 C ATOM 1040 O PHE A 64 -16.421 7.810 -3.438 1.00 0.83 O ATOM 1041 CB PHE A 64 -16.564 10.299 -1.007 1.00 0.98 C ATOM 1042 CG PHE A 64 -17.905 10.664 -1.597 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -18.060 11.870 -2.289 1.00 0.98 C ATOM 1044 CD2 PHE A 64 -18.993 9.795 -1.452 1.00 1.07 C ATOM 1045 CE1 PHE A 64 -19.303 12.208 -2.837 1.00 1.01 C ATOM 1046 CE2 PHE A 64 -20.236 10.133 -2.000 1.00 1.10 C ATOM 1047 CZ PHE A 64 -20.391 11.340 -2.693 1.00 1.07 C ATOM 0 H PHE A 64 -16.493 11.199 -3.322 1.00 0.95 H new ATOM 0 HA PHE A 64 -14.652 9.653 -1.765 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -16.696 9.610 -0.173 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -16.074 11.189 -0.611 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -17.221 12.540 -2.400 1.00 0.98 H new ATOM 0 HD2 PHE A 64 -18.873 8.864 -0.918 1.00 1.07 H new ATOM 0 HE1 PHE A 64 -19.422 13.139 -3.371 1.00 1.01 H new ATOM 0 HE2 PHE A 64 -21.076 9.463 -1.888 1.00 1.10 H new ATOM 0 HZ PHE A 64 -21.350 11.601 -3.116 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.234 7.432 -1.279 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.669 6.010 -1.425 1.00 0.76 C ATOM 1059 C VAL A 65 -17.356 5.558 -0.115 1.00 0.76 C ATOM 1060 O VAL A 65 -16.671 5.338 0.864 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.434 5.137 -1.665 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -15.855 3.670 -1.765 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -14.759 5.558 -2.971 1.00 0.76 C ATOM 0 H VAL A 65 -16.018 7.719 -0.324 1.00 0.83 H new ATOM 0 HA VAL A 65 -17.362 5.915 -2.261 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.738 5.261 -0.836 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -14.975 3.050 -1.936 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -16.338 3.366 -0.837 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -16.552 3.547 -2.594 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -13.880 4.937 -3.143 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -15.458 5.434 -3.798 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.458 6.603 -2.904 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.678 5.435 -0.096 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.379 5.020 1.136 1.00 0.79 C ATOM 1075 C PRO A 66 -18.849 3.660 1.616 1.00 0.72 C ATOM 1076 O PRO A 66 -17.942 3.096 1.038 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.875 4.950 0.744 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.999 5.492 -0.708 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.567 5.687 -1.254 1.00 0.79 C ATOM 0 HA PRO A 66 -19.222 5.713 1.963 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -21.240 3.925 0.804 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.480 5.544 1.429 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -21.556 4.793 -1.332 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.546 6.435 -0.720 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -19.358 4.995 -2.070 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.428 6.694 -1.647 1.00 0.79 H new ATOM 1087 N LEU A 67 -19.405 3.142 2.678 1.00 0.73 N ATOM 1088 CA LEU A 67 -18.936 1.835 3.209 1.00 0.68 C ATOM 1089 C LEU A 67 -19.562 0.692 2.403 1.00 0.65 C ATOM 1090 O LEU A 67 -18.945 -0.330 2.179 1.00 0.60 O ATOM 1091 CB LEU A 67 -19.358 1.721 4.678 1.00 0.72 C ATOM 1092 CG LEU A 67 -18.402 2.530 5.561 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -18.440 4.004 5.149 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -18.833 2.398 7.024 1.00 0.77 C ATOM 0 H LEU A 67 -20.168 3.572 3.201 1.00 0.73 H new ATOM 0 HA LEU A 67 -17.851 1.771 3.127 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -20.378 2.086 4.802 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -19.354 0.675 4.986 1.00 0.72 H new ATOM 0 HG LEU A 67 -17.388 2.150 5.441 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -17.759 4.576 5.779 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -18.135 4.098 4.107 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -19.453 4.389 5.267 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -18.156 2.972 7.656 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -19.848 2.779 7.140 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -18.803 1.349 7.319 1.00 0.77 H new ATOM 1106 N HIS A 68 -20.784 0.849 1.974 1.00 0.69 N ATOM 1107 CA HIS A 68 -21.447 -0.227 1.198 1.00 0.68 C ATOM 1108 C HIS A 68 -20.704 -0.451 -0.119 1.00 0.68 C ATOM 1109 O HIS A 68 -20.862 -1.467 -0.768 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.887 0.190 0.916 1.00 0.75 C ATOM 1111 CG HIS A 68 -23.625 0.354 2.217 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.626 1.548 2.921 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -24.388 -0.517 2.954 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -24.368 1.364 4.029 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -24.856 0.123 4.098 1.00 0.90 N ATOM 0 H HIS A 68 -21.352 1.682 2.130 1.00 0.69 H new ATOM 0 HA HIS A 68 -21.435 -1.156 1.768 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.903 1.125 0.356 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -23.380 -0.560 0.298 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -24.594 -1.543 2.687 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -24.547 2.127 4.772 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -25.445 -0.271 4.831 1.00 0.90 H new ATOM 1123 N SER A 69 -19.891 0.484 -0.517 1.00 0.66 N ATOM 1124 CA SER A 69 -19.133 0.320 -1.787 1.00 0.67 C ATOM 1125 C SER A 69 -18.190 -0.868 -1.652 1.00 0.61 C ATOM 1126 O SER A 69 -17.840 -1.530 -2.609 1.00 0.63 O ATOM 1127 CB SER A 69 -18.327 1.595 -2.053 1.00 0.69 C ATOM 1128 OG SER A 69 -18.330 1.872 -3.447 1.00 0.69 O ATOM 0 H SER A 69 -19.718 1.356 -0.018 1.00 0.66 H new ATOM 0 HA SER A 69 -19.819 0.145 -2.616 1.00 0.67 H new ATOM 0 HB2 SER A 69 -18.758 2.432 -1.504 1.00 0.69 H new ATOM 0 HB3 SER A 69 -17.304 1.473 -1.697 1.00 0.69 H new ATOM 0 HG SER A 69 -18.430 2.837 -3.589 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.777 -1.117 -0.457 1.00 0.56 N ATOM 1135 CA PHE A 70 -16.846 -2.235 -0.190 1.00 0.51 C ATOM 1136 C PHE A 70 -17.633 -3.531 -0.044 1.00 0.50 C ATOM 1137 O PHE A 70 -18.765 -3.646 -0.470 1.00 0.56 O ATOM 1138 CB PHE A 70 -16.104 -1.962 1.122 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.187 -0.784 0.956 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -15.667 0.513 1.165 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -13.850 -0.989 0.605 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -14.807 1.607 1.019 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -12.997 0.099 0.464 1.00 0.51 C ATOM 1144 CZ PHE A 70 -13.470 1.397 0.669 1.00 0.54 C ATOM 0 H PHE A 70 -18.049 -0.583 0.368 1.00 0.56 H new ATOM 0 HA PHE A 70 -16.139 -2.324 -1.015 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -16.820 -1.767 1.921 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -15.531 -2.841 1.415 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -16.700 0.670 1.439 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.480 -1.991 0.444 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -15.175 2.610 1.176 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -11.963 -0.060 0.195 1.00 0.51 H new ATOM 0 HZ PHE A 70 -12.803 2.239 0.557 1.00 0.54 H new ATOM 1154 N PHE A 71 -17.030 -4.495 0.584 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.698 -5.812 0.819 1.00 0.45 C ATOM 1156 C PHE A 71 -17.945 -5.960 2.320 1.00 0.50 C ATOM 1157 O PHE A 71 -17.227 -6.655 3.011 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.782 -6.943 0.344 1.00 0.41 C ATOM 1159 CG PHE A 71 -16.781 -6.996 -1.165 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -15.940 -6.148 -1.896 1.00 0.41 C ATOM 1161 CD2 PHE A 71 -17.618 -7.897 -1.835 1.00 0.43 C ATOM 1162 CE1 PHE A 71 -15.937 -6.199 -3.295 1.00 0.44 C ATOM 1163 CE2 PHE A 71 -17.615 -7.949 -3.234 1.00 0.46 C ATOM 1164 CZ PHE A 71 -16.775 -7.100 -3.964 1.00 0.46 C ATOM 0 H PHE A 71 -16.082 -4.430 0.954 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.639 -5.860 0.271 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.769 -6.783 0.713 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -17.122 -7.895 0.751 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -15.293 -5.454 -1.380 1.00 0.41 H new ATOM 0 HD2 PHE A 71 -18.266 -8.552 -1.272 1.00 0.43 H new ATOM 0 HE1 PHE A 71 -15.289 -5.544 -3.858 1.00 0.44 H new ATOM 0 HE2 PHE A 71 -18.261 -8.644 -3.750 1.00 0.46 H new ATOM 0 HZ PHE A 71 -16.773 -7.140 -5.043 1.00 0.46 H new ATOM 1174 N LEU A 72 -18.942 -5.293 2.835 1.00 0.54 N ATOM 1175 CA LEU A 72 -19.221 -5.376 4.295 1.00 0.59 C ATOM 1176 C LEU A 72 -17.937 -5.043 5.057 1.00 0.57 C ATOM 1177 O LEU A 72 -17.017 -4.469 4.509 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.689 -6.789 4.671 1.00 0.64 C ATOM 1179 CG LEU A 72 -21.060 -7.087 4.029 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -20.894 -7.504 2.559 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -21.745 -8.224 4.796 1.00 0.71 C ATOM 0 H LEU A 72 -19.576 -4.694 2.306 1.00 0.54 H new ATOM 0 HA LEU A 72 -20.009 -4.669 4.555 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -18.956 -7.523 4.337 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -19.760 -6.880 5.755 1.00 0.64 H new ATOM 0 HG LEU A 72 -21.667 -6.182 4.073 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -21.873 -7.709 2.126 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -20.414 -6.698 2.004 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -20.277 -8.401 2.503 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -22.714 -8.436 4.344 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -21.122 -9.118 4.755 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -21.887 -7.928 5.835 1.00 0.71 H new ATOM 1193 N THR A 73 -17.864 -5.402 6.314 1.00 0.53 N ATOM 1194 CA THR A 73 -16.633 -5.112 7.121 1.00 0.52 C ATOM 1195 C THR A 73 -15.845 -6.424 7.318 1.00 0.44 C ATOM 1196 O THR A 73 -16.457 -7.459 7.495 1.00 0.43 O ATOM 1197 CB THR A 73 -17.050 -4.572 8.492 1.00 0.59 C ATOM 1198 OG1 THR A 73 -15.986 -4.756 9.416 1.00 0.59 O ATOM 1199 CG2 THR A 73 -18.289 -5.322 8.983 1.00 0.61 C ATOM 0 H THR A 73 -18.606 -5.886 6.821 1.00 0.53 H new ATOM 0 HA THR A 73 -16.014 -4.378 6.605 1.00 0.52 H new ATOM 0 HB THR A 73 -17.280 -3.510 8.409 1.00 0.59 H new ATOM 0 HG1 THR A 73 -16.251 -4.409 10.293 1.00 0.59 H new ATOM 0 HG21 THR A 73 -18.585 -4.937 9.959 1.00 0.61 H new ATOM 0 HG22 THR A 73 -19.105 -5.180 8.274 1.00 0.61 H new ATOM 0 HG23 THR A 73 -18.062 -6.385 9.066 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.520 -6.379 7.299 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.722 -7.605 7.498 1.00 0.35 C ATOM 1209 C PRO A 74 -14.237 -8.376 8.720 1.00 0.35 C ATOM 1210 O PRO A 74 -14.465 -7.806 9.768 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.278 -7.091 7.697 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.243 -5.636 7.165 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.709 -5.151 7.089 1.00 0.47 C ATOM 0 HA PRO A 74 -13.783 -8.303 6.663 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.997 -7.124 8.750 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.567 -7.717 7.158 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.658 -4.997 7.827 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.771 -5.595 6.183 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.919 -4.402 7.852 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.926 -4.693 6.124 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.431 -9.673 8.587 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.946 -10.487 9.739 1.00 0.38 C ATOM 1223 C ASP A 75 -13.842 -11.417 10.250 1.00 0.36 C ATOM 1224 O ASP A 75 -13.631 -11.570 11.437 1.00 0.36 O ATOM 1225 CB ASP A 75 -16.142 -11.328 9.242 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.205 -11.453 10.341 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.912 -10.486 10.566 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -17.290 -12.515 10.936 1.00 1.34 O ATOM 0 H ASP A 75 -14.255 -10.200 7.732 1.00 0.34 H new ATOM 0 HA ASP A 75 -15.257 -9.831 10.552 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.578 -10.864 8.357 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.799 -12.319 8.945 1.00 0.46 H new ATOM 1233 N SER A 76 -13.165 -12.056 9.346 1.00 0.38 N ATOM 1234 CA SER A 76 -12.085 -13.019 9.714 1.00 0.41 C ATOM 1235 C SER A 76 -10.866 -12.806 8.820 1.00 0.39 C ATOM 1236 O SER A 76 -10.724 -11.812 8.148 1.00 0.37 O ATOM 1237 CB SER A 76 -12.595 -14.444 9.522 1.00 0.51 C ATOM 1238 OG SER A 76 -13.200 -14.558 8.241 1.00 0.54 O ATOM 0 H SER A 76 -13.314 -11.952 8.342 1.00 0.38 H new ATOM 0 HA SER A 76 -11.804 -12.857 10.754 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.772 -15.152 9.612 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.316 -14.692 10.301 1.00 0.51 H new ATOM 0 HG SER A 76 -13.527 -15.473 8.114 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.972 -13.730 8.830 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.758 -13.600 7.996 1.00 0.44 C ATOM 1246 C PHE A 77 -9.114 -13.805 6.547 1.00 0.48 C ATOM 1247 O PHE A 77 -8.887 -12.966 5.721 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.781 -14.677 8.455 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.510 -14.695 7.629 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.773 -13.522 7.420 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.044 -15.912 7.114 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.568 -13.570 6.700 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.850 -15.957 6.388 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.110 -14.788 6.186 1.00 0.90 C ATOM 0 H PHE A 77 -10.026 -14.584 9.386 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.314 -12.610 8.099 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.528 -14.512 9.502 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.264 -15.652 8.394 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.131 -12.582 7.812 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.609 -16.818 7.278 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.996 -12.668 6.543 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.499 -16.895 5.983 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.183 -14.825 5.632 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.666 -14.913 6.240 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.041 -15.193 4.829 1.00 0.56 C ATOM 1266 C GLU A 78 -10.748 -13.980 4.204 1.00 0.53 C ATOM 1267 O GLU A 78 -10.454 -13.612 3.084 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.959 -16.440 4.800 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.365 -17.531 3.899 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.220 -18.795 3.997 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.212 -18.872 3.290 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -10.870 -19.665 4.777 1.00 1.45 O ATOM 0 H GLU A 78 -9.883 -15.658 6.902 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.143 -15.386 4.242 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.087 -16.827 5.811 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.948 -16.161 4.437 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.327 -17.184 2.866 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.340 -17.748 4.200 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.659 -13.342 4.891 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.327 -12.176 4.252 1.00 0.45 C ATOM 1281 C GLN A 79 -11.285 -11.106 3.976 1.00 0.40 C ATOM 1282 O GLN A 79 -11.333 -10.427 2.976 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.462 -11.613 5.112 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.066 -11.541 6.567 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.315 -10.246 6.846 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -12.085 -9.884 8.080 1.00 0.47 O flip ATOM 1287 NE2 GLN A 79 -11.940 -9.548 5.928 1.00 0.45 N flip ATOM 0 H GLN A 79 -11.961 -13.570 5.838 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.781 -12.509 3.319 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.731 -10.618 4.757 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.347 -12.240 5.005 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.954 -11.597 7.196 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.439 -12.395 6.823 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.120 -9.832 4.965 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.444 -8.677 6.119 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.333 -10.961 4.849 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.268 -9.941 4.617 1.00 0.38 C ATOM 1298 C LYS A 80 -8.450 -10.373 3.397 1.00 0.39 C ATOM 1299 O LYS A 80 -8.320 -9.647 2.431 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.332 -9.847 5.832 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.021 -9.108 6.974 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.039 -8.928 8.133 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.788 -8.398 9.356 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.828 -8.194 10.478 1.00 1.03 N ATOM 0 H LYS A 80 -10.242 -11.500 5.710 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.731 -8.967 4.456 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -8.045 -10.847 6.157 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.415 -9.327 5.554 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.376 -8.136 6.630 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.895 -9.667 7.308 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.561 -9.878 8.370 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.247 -8.235 7.849 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.284 -7.458 9.113 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.566 -9.102 9.652 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.345 -7.882 11.325 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.337 -9.088 10.682 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.131 -7.469 10.211 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.897 -11.559 3.440 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.083 -12.056 2.291 1.00 0.47 C ATOM 1320 C VAL A 81 -7.840 -11.827 0.986 1.00 0.45 C ATOM 1321 O VAL A 81 -7.253 -11.682 -0.065 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.826 -13.553 2.462 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.887 -14.039 1.357 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.182 -13.808 3.825 1.00 0.56 C ATOM 0 H VAL A 81 -7.975 -12.206 4.225 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.136 -11.517 2.263 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.771 -14.092 2.400 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.704 -15.107 1.479 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.345 -13.858 0.385 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.942 -13.499 1.419 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.999 -14.876 3.947 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.237 -13.268 3.888 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.850 -13.462 4.614 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.140 -11.806 1.044 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.944 -11.602 -0.199 1.00 0.44 C ATOM 1336 C LEU A 82 -10.078 -10.118 -0.498 1.00 0.38 C ATOM 1337 O LEU A 82 -10.048 -9.706 -1.634 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.336 -12.222 -0.015 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.037 -12.376 -1.381 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.599 -13.678 -2.063 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.556 -12.412 -1.177 1.00 0.54 C ATOM 0 H LEU A 82 -9.685 -11.921 1.898 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.438 -12.085 -1.035 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.247 -13.195 0.468 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.938 -11.594 0.642 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.762 -11.529 -2.010 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.102 -13.772 -3.025 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.520 -13.663 -2.218 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.863 -14.526 -1.431 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.050 -12.521 -2.142 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.817 -13.256 -0.538 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.882 -11.485 -0.705 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.219 -9.309 0.498 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.336 -7.859 0.241 1.00 0.32 C ATOM 1355 C ASN A 83 -9.057 -7.413 -0.473 1.00 0.31 C ATOM 1356 O ASN A 83 -9.060 -6.511 -1.295 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.502 -7.123 1.591 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.582 -6.041 1.481 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.293 -4.863 1.546 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.822 -6.403 1.314 1.00 0.36 N ATOM 0 H ASN A 83 -10.259 -9.586 1.479 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.201 -7.629 -0.381 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.771 -7.836 2.370 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.555 -6.671 1.885 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.554 -5.696 1.237 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.061 -7.393 1.260 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.958 -8.059 -0.173 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.673 -7.686 -0.837 1.00 0.37 C ATOM 1369 C VAL A 84 -6.533 -8.436 -2.146 1.00 0.39 C ATOM 1370 O VAL A 84 -6.006 -7.923 -3.095 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.475 -8.010 0.049 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.195 -7.615 -0.698 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.577 -7.214 1.356 1.00 0.40 C ATOM 0 H VAL A 84 -7.895 -8.824 0.499 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.693 -6.611 -1.018 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.456 -9.075 0.281 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.327 -7.840 -0.078 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.130 -8.176 -1.630 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.217 -6.548 -0.918 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.721 -7.445 1.990 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.586 -6.147 1.133 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.497 -7.484 1.875 1.00 0.40 H new ATOM 1383 N SER A 85 -6.996 -9.642 -2.215 1.00 0.41 N ATOM 1384 CA SER A 85 -6.877 -10.379 -3.497 1.00 0.46 C ATOM 1385 C SER A 85 -7.670 -9.599 -4.535 1.00 0.42 C ATOM 1386 O SER A 85 -7.405 -9.635 -5.717 1.00 0.45 O ATOM 1387 CB SER A 85 -7.463 -11.784 -3.344 1.00 0.50 C ATOM 1388 OG SER A 85 -7.158 -12.548 -4.503 1.00 0.53 O ATOM 0 H SER A 85 -7.447 -10.147 -1.452 1.00 0.41 H new ATOM 0 HA SER A 85 -5.833 -10.476 -3.796 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.053 -12.267 -2.457 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.543 -11.727 -3.205 1.00 0.50 H new ATOM 0 HG SER A 85 -7.531 -13.449 -4.408 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.646 -8.885 -4.074 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.502 -8.082 -4.979 1.00 0.36 C ATOM 1396 C PHE A 86 -8.741 -6.840 -5.433 1.00 0.34 C ATOM 1397 O PHE A 86 -8.548 -6.601 -6.602 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.759 -7.669 -4.211 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.515 -6.565 -4.927 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.533 -6.499 -6.328 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.212 -5.612 -4.176 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.249 -5.482 -6.970 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.925 -4.594 -4.820 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.944 -4.529 -6.217 1.00 0.32 C ATOM 0 H PHE A 86 -8.894 -8.821 -3.087 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.776 -8.666 -5.857 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.410 -8.534 -4.086 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.481 -7.332 -3.212 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.995 -7.232 -6.911 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.200 -5.662 -3.097 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.265 -5.433 -8.049 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.461 -3.859 -4.238 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.495 -3.744 -6.714 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.301 -6.043 -4.516 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.543 -4.828 -4.921 1.00 0.33 C ATOM 1416 C ALA A 87 -6.379 -5.283 -5.798 1.00 0.38 C ATOM 1417 O ALA A 87 -5.966 -4.611 -6.721 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.009 -4.109 -3.679 1.00 0.35 C ATOM 0 H ALA A 87 -8.428 -6.171 -3.512 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.187 -4.138 -5.466 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.455 -3.221 -3.983 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.843 -3.816 -3.041 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.348 -4.778 -3.128 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.876 -6.451 -5.520 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.765 -7.011 -6.305 1.00 0.48 C ATOM 1426 C PHE A 88 -5.317 -7.461 -7.639 1.00 0.48 C ATOM 1427 O PHE A 88 -4.595 -7.641 -8.588 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.186 -8.210 -5.554 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.236 -8.977 -6.445 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.749 -9.840 -7.416 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.852 -8.827 -6.300 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.882 -10.557 -8.247 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.982 -9.544 -7.131 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.497 -10.409 -8.105 1.00 0.74 C ATOM 0 H PHE A 88 -6.203 -7.049 -4.761 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.981 -6.269 -6.456 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.663 -7.870 -4.660 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.992 -8.864 -5.222 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.817 -9.954 -7.525 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.456 -8.160 -5.549 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.280 -11.224 -8.997 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.086 -9.430 -7.021 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.826 -10.961 -8.746 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.597 -7.677 -7.712 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.183 -8.137 -9.003 1.00 0.46 C ATOM 1446 C GLU A 89 -7.350 -6.924 -9.920 1.00 0.43 C ATOM 1447 O GLU A 89 -6.978 -6.953 -11.079 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.536 -8.826 -8.735 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.312 -10.323 -8.490 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.164 -11.054 -9.827 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -7.104 -10.952 -10.422 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -9.114 -11.703 -10.233 1.00 0.63 O ATOM 0 H GLU A 89 -7.259 -7.558 -6.945 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.528 -8.860 -9.489 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.020 -8.374 -7.869 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.203 -8.682 -9.585 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.418 -10.471 -7.884 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.150 -10.738 -7.930 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.869 -5.846 -9.406 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.018 -4.636 -10.253 1.00 0.37 C ATOM 1461 C LEU A 90 -6.628 -4.071 -10.519 1.00 0.41 C ATOM 1462 O LEU A 90 -6.427 -3.301 -11.436 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.876 -3.586 -9.529 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.372 -3.887 -9.721 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.177 -3.071 -8.704 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.825 -3.514 -11.149 1.00 0.36 C ATOM 0 H LEU A 90 -8.194 -5.752 -8.444 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.510 -4.894 -11.191 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.634 -3.580 -8.466 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.647 -2.592 -9.914 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.541 -4.953 -9.571 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.240 -3.277 -8.832 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.873 -3.346 -7.694 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.992 -2.008 -8.862 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.886 -3.735 -11.263 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.655 -2.451 -11.318 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.254 -4.093 -11.875 1.00 0.36 H new ATOM 1478 N MET A 91 -5.655 -4.458 -9.735 1.00 0.43 N ATOM 1479 CA MET A 91 -4.275 -3.935 -9.977 1.00 0.49 C ATOM 1480 C MET A 91 -3.604 -4.819 -11.016 1.00 0.54 C ATOM 1481 O MET A 91 -3.030 -4.347 -11.978 1.00 0.58 O ATOM 1482 CB MET A 91 -3.465 -3.950 -8.683 1.00 0.52 C ATOM 1483 CG MET A 91 -3.930 -2.810 -7.772 1.00 0.48 C ATOM 1484 SD MET A 91 -3.273 -1.239 -8.383 1.00 0.55 S ATOM 1485 CE MET A 91 -3.926 -0.198 -7.055 1.00 0.60 C ATOM 0 H MET A 91 -5.752 -5.102 -8.950 1.00 0.43 H new ATOM 0 HA MET A 91 -4.329 -2.906 -10.333 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.588 -4.907 -8.176 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.403 -3.841 -8.905 1.00 0.52 H new ATOM 0 HG2 MET A 91 -5.019 -2.774 -7.744 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.591 -2.985 -6.751 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.636 0.838 -7.229 1.00 0.60 H new ATOM 0 HE2 MET A 91 -5.013 -0.273 -7.035 1.00 0.60 H new ATOM 0 HE3 MET A 91 -3.522 -0.532 -6.099 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.696 -6.105 -10.843 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.092 -7.031 -11.832 1.00 0.62 C ATOM 1497 C GLN A 92 -3.648 -6.669 -13.204 1.00 0.61 C ATOM 1498 O GLN A 92 -3.015 -6.873 -14.220 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.469 -8.475 -11.481 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.691 -9.449 -12.371 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.302 -9.466 -13.774 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -2.545 -9.209 -14.805 1.00 0.72 O flip ATOM 1503 NE2 GLN A 92 -4.480 -9.718 -13.933 1.00 0.67 N flip ATOM 0 H GLN A 92 -4.165 -6.555 -10.057 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.005 -6.946 -11.827 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.249 -8.673 -10.432 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.541 -8.623 -11.615 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -1.644 -9.151 -12.424 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.717 -10.450 -11.940 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -5.072 -9.919 -13.127 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -4.877 -9.729 -14.873 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.832 -6.109 -13.234 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.431 -5.707 -14.535 1.00 0.54 C ATOM 1514 C ASP A 93 -4.900 -4.325 -14.895 1.00 0.55 C ATOM 1515 O ASP A 93 -4.333 -4.112 -15.948 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.964 -5.666 -14.388 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.638 -6.097 -15.696 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.016 -5.955 -16.736 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -8.765 -6.562 -15.634 1.00 0.80 O ATOM 0 H ASP A 93 -5.405 -5.915 -12.413 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.170 -6.417 -15.320 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.276 -6.324 -13.577 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.283 -4.658 -14.122 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.074 -3.390 -14.011 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.572 -2.016 -14.275 1.00 0.61 C ATOM 1526 C GLY A 94 -3.055 -2.061 -14.468 1.00 0.73 C ATOM 1527 O GLY A 94 -2.423 -1.048 -14.690 1.00 0.82 O ATOM 0 H GLY A 94 -5.543 -3.516 -13.114 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.051 -1.606 -15.164 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.825 -1.358 -13.444 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.464 -3.235 -14.389 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.978 -3.358 -14.572 1.00 0.94 C ATOM 1533 C GLY A 95 -0.365 -4.126 -13.395 1.00 0.92 C ATOM 1534 O GLY A 95 -0.679 -5.276 -13.162 1.00 0.91 O ATOM 0 H GLY A 95 -2.948 -4.114 -14.205 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.760 -3.875 -15.507 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.529 -2.367 -14.643 1.00 0.94 H new ATOM 1538 N LEU A 96 0.512 -3.497 -12.654 1.00 0.92 N ATOM 1539 CA LEU A 96 1.151 -4.185 -11.496 1.00 0.91 C ATOM 1540 C LEU A 96 1.988 -5.357 -12.016 1.00 0.94 C ATOM 1541 O LEU A 96 3.199 -5.295 -12.084 1.00 0.95 O ATOM 1542 CB LEU A 96 0.053 -4.680 -10.535 1.00 0.89 C ATOM 1543 CG LEU A 96 0.597 -4.815 -9.100 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.878 -5.655 -9.107 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.887 -3.427 -8.491 1.00 0.86 C ATOM 0 H LEU A 96 0.812 -2.534 -12.803 1.00 0.92 H new ATOM 0 HA LEU A 96 1.803 -3.499 -10.956 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.786 -3.984 -10.546 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.327 -5.643 -10.876 1.00 0.89 H new ATOM 0 HG LEU A 96 -0.159 -5.309 -8.490 1.00 0.87 H new ATOM 0 HD11 LEU A 96 2.258 -5.747 -8.090 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.661 -6.646 -9.504 1.00 0.93 H new ATOM 0 HD13 LEU A 96 2.628 -5.170 -9.732 1.00 0.93 H new ATOM 0 HD21 LEU A 96 1.270 -3.547 -7.478 1.00 0.86 H new ATOM 0 HD22 LEU A 96 1.628 -2.910 -9.100 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.032 -2.842 -8.464 1.00 0.86 H new ATOM 1557 N GLU A 97 1.339 -6.408 -12.397 1.00 0.96 N ATOM 1558 CA GLU A 97 2.056 -7.599 -12.940 1.00 1.00 C ATOM 1559 C GLU A 97 3.238 -7.986 -12.044 1.00 0.99 C ATOM 1560 O GLU A 97 3.487 -7.390 -11.015 1.00 0.99 O ATOM 1561 CB GLU A 97 2.577 -7.277 -14.342 1.00 1.05 C ATOM 1562 CG GLU A 97 1.397 -7.001 -15.276 1.00 1.13 C ATOM 1563 CD GLU A 97 1.903 -6.890 -16.715 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.202 -7.920 -17.298 1.00 1.27 O ATOM 1565 OE2 GLU A 97 1.982 -5.778 -17.211 1.00 1.37 O ATOM 0 H GLU A 97 0.324 -6.502 -12.358 1.00 0.96 H new ATOM 0 HA GLU A 97 1.358 -8.435 -12.975 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.236 -6.410 -14.306 1.00 1.05 H new ATOM 0 HB3 GLU A 97 3.168 -8.111 -14.722 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.662 -7.802 -15.198 1.00 1.13 H new ATOM 0 HG3 GLU A 97 0.895 -6.079 -14.983 1.00 1.13 H new ATOM 1572 N LYS A 98 3.962 -8.994 -12.449 1.00 1.02 N ATOM 1573 CA LYS A 98 5.142 -9.472 -11.669 1.00 1.01 C ATOM 1574 C LYS A 98 4.817 -9.590 -10.169 1.00 1.00 C ATOM 1575 O LYS A 98 5.391 -8.881 -9.367 1.00 1.04 O ATOM 1576 CB LYS A 98 6.302 -8.493 -11.856 1.00 1.08 C ATOM 1577 CG LYS A 98 6.652 -8.391 -13.342 1.00 1.09 C ATOM 1578 CD LYS A 98 7.574 -7.192 -13.570 1.00 1.13 C ATOM 1579 CE LYS A 98 8.008 -7.151 -15.038 1.00 1.16 C ATOM 1580 NZ LYS A 98 9.176 -6.237 -15.185 1.00 1.18 N ATOM 0 H LYS A 98 3.782 -9.518 -13.306 1.00 1.02 H new ATOM 0 HA LYS A 98 5.414 -10.461 -12.038 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.029 -7.512 -11.468 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.170 -8.830 -11.290 1.00 1.08 H new ATOM 0 HG2 LYS A 98 7.140 -9.307 -13.675 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.743 -8.281 -13.934 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.058 -6.268 -13.307 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.449 -7.264 -12.923 1.00 1.13 H new ATOM 0 HE2 LYS A 98 8.271 -8.152 -15.379 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.183 -6.808 -15.663 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.471 -6.209 -16.182 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 8.909 -5.281 -14.876 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 9.963 -6.583 -14.600 1.00 1.18 H new ATOM 1594 N PRO A 99 3.925 -10.496 -9.822 1.00 0.93 N ATOM 1595 CA PRO A 99 3.556 -10.720 -8.412 1.00 0.91 C ATOM 1596 C PRO A 99 4.685 -11.472 -7.699 1.00 0.98 C ATOM 1597 O PRO A 99 5.549 -12.054 -8.325 1.00 1.02 O ATOM 1598 CB PRO A 99 2.284 -11.592 -8.468 1.00 0.84 C ATOM 1599 CG PRO A 99 2.096 -12.038 -9.950 1.00 0.82 C ATOM 1600 CD PRO A 99 3.204 -11.354 -10.787 1.00 0.88 C ATOM 0 HA PRO A 99 3.389 -9.790 -7.869 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.383 -12.459 -7.815 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.417 -11.030 -8.122 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.165 -13.122 -10.036 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.109 -11.752 -10.314 1.00 0.82 H new ATOM 0 HD2 PRO A 99 3.870 -12.089 -11.239 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.780 -10.766 -11.601 1.00 0.88 H new ATOM 1608 N LYS A 100 4.670 -11.485 -6.394 1.00 0.98 N ATOM 1609 CA LYS A 100 5.725 -12.220 -5.644 1.00 1.05 C ATOM 1610 C LYS A 100 5.171 -12.716 -4.287 1.00 1.02 C ATOM 1611 O LYS A 100 5.315 -13.883 -3.983 1.00 1.04 O ATOM 1612 CB LYS A 100 6.963 -11.309 -5.451 1.00 1.11 C ATOM 1613 CG LYS A 100 8.226 -11.964 -6.036 1.00 1.18 C ATOM 1614 CD LYS A 100 9.469 -11.235 -5.520 1.00 1.25 C ATOM 1615 CE LYS A 100 9.457 -9.784 -6.006 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.815 -9.194 -5.838 1.00 1.30 N ATOM 0 H LYS A 100 3.972 -11.018 -5.815 1.00 0.98 H new ATOM 0 HA LYS A 100 6.033 -13.095 -6.216 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.790 -10.348 -5.935 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.111 -11.110 -4.390 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.266 -13.016 -5.754 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.196 -11.927 -7.125 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.493 -11.263 -4.431 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.370 -11.739 -5.871 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.157 -9.742 -7.053 1.00 1.22 H new ATOM 0 HE3 LYS A 100 8.725 -9.206 -5.442 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.732 -8.244 -5.422 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.381 -9.799 -5.209 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.281 -9.126 -6.765 1.00 1.30 H new ATOM 1630 N PRO A 101 4.557 -11.849 -3.492 1.00 0.97 N ATOM 1631 CA PRO A 101 4.015 -12.264 -2.191 1.00 0.95 C ATOM 1632 C PRO A 101 2.575 -12.742 -2.421 1.00 0.89 C ATOM 1633 O PRO A 101 2.231 -13.119 -3.524 1.00 0.89 O ATOM 1634 CB PRO A 101 4.088 -10.975 -1.363 1.00 0.92 C ATOM 1635 CG PRO A 101 4.044 -9.808 -2.371 1.00 0.92 C ATOM 1636 CD PRO A 101 4.338 -10.408 -3.771 1.00 0.95 C ATOM 0 HA PRO A 101 4.539 -13.079 -1.693 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.255 -10.915 -0.663 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.004 -10.944 -0.772 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.068 -9.322 -2.357 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.782 -9.048 -2.114 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.505 -10.254 -4.457 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.215 -9.950 -4.228 1.00 0.95 H new ATOM 1644 N ARG A 102 1.734 -12.753 -1.415 1.00 0.84 N ATOM 1645 CA ARG A 102 0.329 -13.233 -1.611 1.00 0.79 C ATOM 1646 C ARG A 102 -0.670 -12.292 -0.892 1.00 0.71 C ATOM 1647 O ARG A 102 -0.335 -11.734 0.133 1.00 0.71 O ATOM 1648 CB ARG A 102 0.242 -14.641 -1.026 1.00 0.83 C ATOM 1649 CG ARG A 102 1.357 -15.498 -1.642 1.00 0.92 C ATOM 1650 CD ARG A 102 0.968 -16.980 -1.609 1.00 0.96 C ATOM 1651 NE ARG A 102 0.583 -17.365 -0.223 1.00 1.05 N ATOM 1652 CZ ARG A 102 -0.069 -18.475 -0.013 1.00 1.11 C ATOM 1653 NH1 ARG A 102 -0.387 -19.244 -1.019 1.00 1.09 N ATOM 1654 NH2 ARG A 102 -0.403 -18.818 1.201 1.00 1.18 N ATOM 0 H ARG A 102 1.959 -12.451 -0.467 1.00 0.84 H new ATOM 0 HA ARG A 102 0.073 -13.239 -2.670 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.347 -14.607 0.058 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.733 -15.079 -1.239 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.539 -15.186 -2.670 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.287 -15.347 -1.093 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.139 -17.164 -2.292 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.803 -17.593 -1.949 1.00 0.96 H new ATOM 0 HE ARG A 102 0.829 -16.761 0.561 1.00 1.05 H new ATOM 0 HH11 ARG A 102 -0.126 -18.977 -1.968 1.00 1.09 H new ATOM 0 HH12 ARG A 102 -0.897 -20.112 -0.856 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -0.154 -18.218 1.987 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -0.913 -19.686 1.364 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.874 -12.142 -1.435 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.910 -11.275 -0.829 1.00 0.59 C ATOM 1670 C PRO A 103 -2.937 -11.434 0.693 1.00 0.59 C ATOM 1671 O PRO A 103 -3.308 -10.530 1.414 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.224 -11.747 -1.475 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.828 -12.513 -2.764 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.315 -12.815 -2.672 1.00 0.67 C ATOM 0 HA PRO A 103 -2.727 -10.215 -1.005 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.781 -12.392 -0.796 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.868 -10.899 -1.709 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.400 -13.437 -2.853 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.048 -11.916 -3.649 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -2.127 -13.888 -2.628 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.781 -12.433 -3.542 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.536 -12.570 1.186 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.526 -12.776 2.661 1.00 0.65 C ATOM 1684 C GLU A 104 -1.241 -12.155 3.204 1.00 0.67 C ATOM 1685 O GLU A 104 -1.263 -11.385 4.140 1.00 0.65 O ATOM 1686 CB GLU A 104 -2.609 -14.289 3.004 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.432 -15.136 1.746 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.269 -16.606 2.138 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.359 -16.899 2.896 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -3.056 -17.414 1.673 1.00 0.81 O ATOM 0 H GLU A 104 -2.215 -13.365 0.633 1.00 0.64 H new ATOM 0 HA GLU A 104 -3.393 -12.300 3.120 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -1.840 -14.545 3.732 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -3.571 -14.510 3.466 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.295 -15.017 1.091 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -1.559 -14.799 1.188 1.00 0.71 H new ATOM 1697 N ASP A 105 -0.130 -12.464 2.589 1.00 0.73 N ATOM 1698 CA ASP A 105 1.177 -11.892 3.011 1.00 0.78 C ATOM 1699 C ASP A 105 0.999 -10.401 3.296 1.00 0.73 C ATOM 1700 O ASP A 105 1.655 -9.831 4.135 1.00 0.77 O ATOM 1701 CB ASP A 105 2.173 -12.083 1.863 1.00 0.83 C ATOM 1702 CG ASP A 105 2.268 -13.569 1.513 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.593 -14.354 2.158 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.017 -13.897 0.607 1.00 0.86 O ATOM 0 H ASP A 105 -0.075 -13.103 1.795 1.00 0.73 H new ATOM 0 HA ASP A 105 1.543 -12.387 3.910 1.00 0.78 H new ATOM 0 HB2 ASP A 105 1.853 -11.513 0.991 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.153 -11.703 2.151 1.00 0.83 H new ATOM 1709 N ILE A 106 0.089 -9.777 2.614 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.160 -8.326 2.855 1.00 0.64 C ATOM 1711 C ILE A 106 -1.001 -8.211 4.131 1.00 0.59 C ATOM 1712 O ILE A 106 -0.535 -7.746 5.152 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.909 -7.706 1.653 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.554 -8.449 0.354 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.525 -6.233 1.495 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.957 -8.382 0.094 1.00 0.72 C ATOM 0 H ILE A 106 -0.497 -10.205 1.897 1.00 0.67 H new ATOM 0 HA ILE A 106 0.780 -7.787 2.971 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.979 -7.793 1.842 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.871 -9.489 0.425 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.093 -8.007 -0.484 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.059 -5.807 0.645 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.791 -5.688 2.401 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.549 -6.153 1.326 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.191 -8.913 -0.829 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.264 -7.340 0.002 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.490 -8.845 0.924 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.229 -8.677 4.082 1.00 0.54 N ATOM 1729 CA VAL A 107 -3.114 -8.657 5.295 1.00 0.51 C ATOM 1730 C VAL A 107 -2.278 -9.092 6.501 1.00 0.53 C ATOM 1731 O VAL A 107 -2.533 -8.721 7.630 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.219 -9.707 5.073 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.974 -10.044 6.372 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.202 -9.195 4.033 1.00 0.46 C ATOM 0 H VAL A 107 -2.660 -9.074 3.247 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.537 -7.666 5.461 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.739 -10.622 4.726 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.742 -10.788 6.164 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.274 -10.441 7.107 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.441 -9.141 6.766 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.984 -9.937 3.875 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.650 -8.265 4.382 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.678 -9.015 3.094 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.295 -9.913 6.248 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.432 -10.438 7.339 1.00 0.63 C ATOM 1746 C ASN A 108 0.252 -9.280 8.076 1.00 0.63 C ATOM 1747 O ASN A 108 1.086 -9.491 8.934 1.00 0.66 O ATOM 1748 CB ASN A 108 0.635 -11.375 6.719 1.00 0.69 C ATOM 1749 CG ASN A 108 0.942 -12.535 7.675 1.00 1.07 C ATOM 1750 OD1 ASN A 108 0.079 -13.337 7.972 1.00 1.33 O ATOM 1751 ND2 ASN A 108 2.142 -12.655 8.172 1.00 1.35 N ATOM 0 H ASN A 108 -1.052 -10.246 5.315 1.00 0.59 H new ATOM 0 HA ASN A 108 -1.040 -10.990 8.056 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.277 -11.765 5.766 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.546 -10.814 6.512 1.00 0.69 H new ATOM 0 HD21 ASN A 108 2.356 -13.422 8.810 1.00 1.35 H new ATOM 0 HD22 ASN A 108 2.867 -11.982 7.923 1.00 1.35 H new ATOM 1758 N CYS A 109 -0.088 -8.063 7.753 1.00 0.61 N ATOM 1759 CA CYS A 109 0.550 -6.908 8.444 1.00 0.63 C ATOM 1760 C CYS A 109 2.072 -7.068 8.399 1.00 0.70 C ATOM 1761 O CYS A 109 2.799 -6.312 9.012 1.00 0.85 O ATOM 1762 CB CYS A 109 0.086 -6.871 9.902 1.00 0.62 C ATOM 1763 SG CYS A 109 0.867 -5.477 10.751 1.00 0.66 S ATOM 0 H CYS A 109 -0.778 -7.819 7.043 1.00 0.61 H new ATOM 0 HA CYS A 109 0.266 -5.981 7.946 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.999 -6.776 9.947 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.345 -7.805 10.401 1.00 0.62 H new ATOM 0 HG CYS A 109 2.070 -5.306 10.289 1.00 0.66 H new ATOM 1769 N ASP A 110 2.567 -8.043 7.676 1.00 0.72 N ATOM 1770 CA ASP A 110 4.033 -8.225 7.606 1.00 0.79 C ATOM 1771 C ASP A 110 4.624 -7.068 6.825 1.00 0.81 C ATOM 1772 O ASP A 110 3.929 -6.312 6.176 1.00 0.80 O ATOM 1773 CB ASP A 110 4.387 -9.547 6.918 1.00 0.84 C ATOM 1774 CG ASP A 110 3.793 -9.580 5.514 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.425 -8.527 5.020 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.712 -10.661 4.955 1.00 0.98 O ATOM 0 H ASP A 110 2.016 -8.712 7.138 1.00 0.72 H new ATOM 0 HA ASP A 110 4.441 -8.251 8.616 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.470 -9.661 6.866 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.006 -10.384 7.503 1.00 0.84 H new ATOM 1781 N LEU A 111 5.902 -6.922 6.898 1.00 0.89 N ATOM 1782 CA LEU A 111 6.586 -5.824 6.190 1.00 0.93 C ATOM 1783 C LEU A 111 7.135 -6.340 4.860 1.00 0.97 C ATOM 1784 O LEU A 111 6.748 -5.910 3.811 1.00 0.96 O ATOM 1785 CB LEU A 111 7.752 -5.344 7.063 1.00 1.02 C ATOM 1786 CG LEU A 111 7.245 -4.573 8.298 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.498 -3.296 7.874 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.318 -5.470 9.134 1.00 1.12 C ATOM 0 H LEU A 111 6.519 -7.533 7.433 1.00 0.89 H new ATOM 0 HA LEU A 111 5.890 -5.007 6.000 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.345 -6.200 7.384 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.409 -4.703 6.476 1.00 1.02 H new ATOM 0 HG LEU A 111 8.106 -4.285 8.902 1.00 1.06 H new ATOM 0 HD11 LEU A 111 6.149 -2.767 8.761 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.171 -2.651 7.309 1.00 1.09 H new ATOM 0 HD13 LEU A 111 5.644 -3.564 7.252 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.965 -4.917 10.004 1.00 1.12 H new ATOM 0 HD22 LEU A 111 5.465 -5.777 8.528 1.00 1.12 H new ATOM 0 HD23 LEU A 111 6.866 -6.353 9.463 1.00 1.12 H new ATOM 1800 N LYS A 112 8.057 -7.247 4.929 1.00 1.00 N ATOM 1801 CA LYS A 112 8.717 -7.807 3.713 1.00 1.04 C ATOM 1802 C LYS A 112 7.822 -7.830 2.468 1.00 1.02 C ATOM 1803 O LYS A 112 7.995 -7.054 1.542 1.00 1.04 O ATOM 1804 CB LYS A 112 9.138 -9.237 4.058 1.00 1.06 C ATOM 1805 CG LYS A 112 10.194 -9.750 3.046 1.00 1.12 C ATOM 1806 CD LYS A 112 11.539 -9.991 3.746 1.00 1.15 C ATOM 1807 CE LYS A 112 12.628 -10.213 2.695 1.00 1.20 C ATOM 1808 NZ LYS A 112 12.124 -11.147 1.650 1.00 1.17 N ATOM 0 H LYS A 112 8.397 -7.641 5.806 1.00 1.00 H new ATOM 0 HA LYS A 112 9.558 -7.163 3.457 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.548 -9.268 5.068 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.267 -9.892 4.047 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.846 -10.675 2.586 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.320 -9.023 2.244 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.793 -9.137 4.373 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.469 -10.859 4.402 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.912 -9.263 2.243 1.00 1.20 H new ATOM 0 HE3 LYS A 112 13.523 -10.623 3.163 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.928 -11.550 1.128 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 11.584 -11.913 2.100 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.507 -10.630 0.991 1.00 1.17 H new ATOM 1822 N SER A 113 6.906 -8.728 2.422 1.00 0.98 N ATOM 1823 CA SER A 113 6.026 -8.853 1.234 1.00 0.96 C ATOM 1824 C SER A 113 5.280 -7.540 0.953 1.00 0.92 C ATOM 1825 O SER A 113 5.393 -6.937 -0.100 1.00 0.94 O ATOM 1826 CB SER A 113 5.014 -9.937 1.586 1.00 0.92 C ATOM 1827 OG SER A 113 4.795 -9.921 2.990 1.00 0.90 O ATOM 0 H SER A 113 6.718 -9.399 3.167 1.00 0.98 H new ATOM 0 HA SER A 113 6.609 -9.092 0.345 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.077 -9.765 1.056 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.383 -10.914 1.273 1.00 0.92 H new ATOM 0 HG SER A 113 4.443 -10.790 3.276 1.00 0.90 H new ATOM 1833 N THR A 114 4.507 -7.130 1.900 1.00 0.88 N ATOM 1834 CA THR A 114 3.696 -5.887 1.778 1.00 0.85 C ATOM 1835 C THR A 114 4.522 -4.766 1.127 1.00 0.89 C ATOM 1836 O THR A 114 4.034 -4.003 0.319 1.00 0.89 O ATOM 1837 CB THR A 114 3.212 -5.503 3.207 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.812 -5.274 3.181 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.911 -4.244 3.746 1.00 0.84 C ATOM 0 H THR A 114 4.394 -7.617 2.789 1.00 0.88 H new ATOM 0 HA THR A 114 2.832 -6.045 1.132 1.00 0.85 H new ATOM 0 HB THR A 114 3.462 -6.332 3.869 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.503 -5.034 4.079 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.537 -4.020 4.745 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.986 -4.416 3.791 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.705 -3.402 3.085 1.00 0.84 H new ATOM 1847 N LEU A 115 5.755 -4.660 1.498 1.00 0.95 N ATOM 1848 CA LEU A 115 6.630 -3.592 0.952 1.00 1.00 C ATOM 1849 C LEU A 115 6.919 -3.862 -0.518 1.00 1.02 C ATOM 1850 O LEU A 115 6.987 -2.955 -1.313 1.00 1.02 O ATOM 1851 CB LEU A 115 7.946 -3.577 1.752 1.00 1.06 C ATOM 1852 CG LEU A 115 7.798 -2.671 3.006 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.652 -3.197 4.167 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.255 -1.246 2.667 1.00 1.06 C ATOM 0 H LEU A 115 6.207 -5.279 2.171 1.00 0.95 H new ATOM 0 HA LEU A 115 6.134 -2.625 1.038 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.208 -4.591 2.055 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.758 -3.212 1.124 1.00 1.06 H new ATOM 0 HG LEU A 115 6.750 -2.674 3.305 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.531 -2.545 5.032 1.00 1.09 H new ATOM 0 HD12 LEU A 115 8.333 -4.207 4.425 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.700 -3.213 3.869 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.151 -0.611 3.547 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.299 -1.264 2.354 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.640 -0.849 1.859 1.00 1.06 H new ATOM 1866 N ARG A 116 7.094 -5.090 -0.894 1.00 1.03 N ATOM 1867 CA ARG A 116 7.383 -5.366 -2.325 1.00 1.05 C ATOM 1868 C ARG A 116 6.218 -4.828 -3.184 1.00 1.01 C ATOM 1869 O ARG A 116 6.415 -4.144 -4.171 1.00 1.04 O ATOM 1870 CB ARG A 116 7.545 -6.890 -2.501 1.00 1.04 C ATOM 1871 CG ARG A 116 9.034 -7.272 -2.643 1.00 1.10 C ATOM 1872 CD ARG A 116 9.192 -8.784 -2.480 1.00 1.10 C ATOM 1873 NE ARG A 116 10.571 -9.182 -2.883 1.00 1.16 N ATOM 1874 CZ ARG A 116 11.035 -10.355 -2.554 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.290 -11.184 -1.875 1.00 1.13 N ATOM 1876 NH2 ARG A 116 12.243 -10.701 -2.904 1.00 1.23 N ATOM 0 H ARG A 116 7.051 -5.907 -0.285 1.00 1.03 H new ATOM 0 HA ARG A 116 8.301 -4.872 -2.644 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.113 -7.407 -1.644 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.995 -7.219 -3.383 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.409 -6.960 -3.618 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.627 -6.751 -1.892 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.006 -9.071 -1.445 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.457 -9.306 -3.092 1.00 1.10 H new ATOM 0 HE ARG A 116 11.152 -8.536 -3.417 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.345 -10.914 -1.602 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.653 -12.102 -1.617 1.00 1.13 H new ATOM 0 HH21 ARG A 116 12.825 -10.054 -3.435 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.605 -11.619 -2.646 1.00 1.23 H new ATOM 1890 N VAL A 117 5.013 -5.147 -2.808 1.00 0.95 N ATOM 1891 CA VAL A 117 3.817 -4.690 -3.576 1.00 0.91 C ATOM 1892 C VAL A 117 3.636 -3.178 -3.486 1.00 0.92 C ATOM 1893 O VAL A 117 3.367 -2.515 -4.472 1.00 0.94 O ATOM 1894 CB VAL A 117 2.571 -5.361 -3.001 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.353 -5.002 -3.854 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.769 -6.870 -3.004 1.00 0.85 C ATOM 0 H VAL A 117 4.800 -5.714 -1.988 1.00 0.95 H new ATOM 0 HA VAL A 117 3.964 -4.961 -4.622 1.00 0.91 H new ATOM 0 HB VAL A 117 2.408 -5.015 -1.980 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.466 -5.482 -3.441 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.214 -3.921 -3.853 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.510 -5.347 -4.876 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.882 -7.354 -2.594 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.931 -7.214 -4.026 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.636 -7.124 -2.394 1.00 0.85 H new ATOM 1906 N LEU A 118 3.750 -2.619 -2.319 1.00 0.91 N ATOM 1907 CA LEU A 118 3.545 -1.157 -2.207 1.00 0.92 C ATOM 1908 C LEU A 118 4.591 -0.459 -3.062 1.00 0.98 C ATOM 1909 O LEU A 118 4.286 0.469 -3.770 1.00 1.00 O ATOM 1910 CB LEU A 118 3.644 -0.700 -0.739 1.00 0.92 C ATOM 1911 CG LEU A 118 2.261 -0.709 -0.056 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.444 0.533 -0.477 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.495 -2.005 -0.399 1.00 0.81 C ATOM 0 H LEU A 118 3.973 -3.104 -1.450 1.00 0.91 H new ATOM 0 HA LEU A 118 2.547 -0.897 -2.560 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.324 -1.356 -0.196 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.067 0.304 -0.696 1.00 0.92 H new ATOM 0 HG LEU A 118 2.409 -0.675 1.023 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.471 0.512 0.013 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.978 1.437 -0.184 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.306 0.528 -1.558 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.522 -1.993 0.092 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.356 -2.071 -1.478 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.065 -2.867 -0.053 1.00 0.81 H new ATOM 1925 N TYR A 119 5.815 -0.915 -3.037 1.00 1.03 N ATOM 1926 CA TYR A 119 6.855 -0.286 -3.896 1.00 1.09 C ATOM 1927 C TYR A 119 6.278 -0.204 -5.299 1.00 1.08 C ATOM 1928 O TYR A 119 6.244 0.830 -5.933 1.00 1.11 O ATOM 1929 CB TYR A 119 8.086 -1.185 -3.920 1.00 1.13 C ATOM 1930 CG TYR A 119 9.214 -0.470 -4.606 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.000 0.442 -3.901 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.466 -0.725 -5.949 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.050 1.105 -4.549 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.513 -0.067 -6.604 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.306 0.850 -5.903 1.00 1.34 C ATOM 1936 OH TYR A 119 12.340 1.501 -6.544 1.00 1.41 O ATOM 0 H TYR A 119 6.137 -1.693 -2.461 1.00 1.03 H new ATOM 0 HA TYR A 119 7.134 0.700 -3.524 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.375 -1.451 -2.903 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.860 -2.115 -4.441 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.799 0.636 -2.858 1.00 1.24 H new ATOM 0 HD2 TYR A 119 8.853 -1.432 -6.488 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.661 1.811 -4.006 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.709 -0.266 -7.647 1.00 1.31 H new ATOM 0 HH TYR A 119 12.381 1.209 -7.479 1.00 1.41 H new ATOM 1946 N ASN A 120 5.797 -1.317 -5.752 1.00 1.06 N ATOM 1947 CA ASN A 120 5.167 -1.399 -7.091 1.00 1.05 C ATOM 1948 C ASN A 120 4.194 -0.212 -7.281 1.00 1.03 C ATOM 1949 O ASN A 120 4.139 0.404 -8.333 1.00 1.05 O ATOM 1950 CB ASN A 120 4.405 -2.747 -7.158 1.00 1.01 C ATOM 1951 CG ASN A 120 4.606 -3.409 -8.528 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.426 -2.780 -9.552 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.974 -4.660 -8.587 1.00 1.06 N ATOM 0 H ASN A 120 5.814 -2.198 -5.238 1.00 1.06 H new ATOM 0 HA ASN A 120 5.914 -1.349 -7.883 1.00 1.05 H new ATOM 0 HB2 ASN A 120 4.760 -3.412 -6.370 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.343 -2.580 -6.980 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.110 -5.109 -9.492 1.00 1.06 H new ATOM 0 HD22 ASN A 120 5.125 -5.188 -7.728 1.00 1.06 H new ATOM 1960 N LEU A 121 3.425 0.115 -6.274 1.00 0.99 N ATOM 1961 CA LEU A 121 2.466 1.250 -6.410 1.00 0.97 C ATOM 1962 C LEU A 121 3.238 2.565 -6.446 1.00 1.03 C ATOM 1963 O LEU A 121 3.135 3.316 -7.386 1.00 1.05 O ATOM 1964 CB LEU A 121 1.503 1.267 -5.219 1.00 0.92 C ATOM 1965 CG LEU A 121 0.298 0.359 -5.495 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.767 -1.089 -5.638 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.692 0.461 -4.332 1.00 0.87 C ATOM 0 H LEU A 121 3.420 -0.353 -5.368 1.00 0.99 H new ATOM 0 HA LEU A 121 1.898 1.127 -7.332 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.020 0.933 -4.320 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.164 2.286 -5.032 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.188 0.674 -6.418 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.091 -1.732 -5.834 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.472 -1.163 -6.466 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.255 -1.406 -4.716 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.549 -0.184 -4.526 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.203 0.147 -3.410 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -1.029 1.493 -4.231 1.00 0.87 H new ATOM 1979 N PHE A 122 4.005 2.848 -5.421 1.00 1.05 N ATOM 1980 CA PHE A 122 4.790 4.116 -5.378 1.00 1.11 C ATOM 1981 C PHE A 122 5.382 4.363 -6.741 1.00 1.16 C ATOM 1982 O PHE A 122 5.620 5.466 -7.146 1.00 1.20 O ATOM 1983 CB PHE A 122 5.933 3.947 -4.353 1.00 1.14 C ATOM 1984 CG PHE A 122 6.151 5.222 -3.593 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.291 5.521 -2.554 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.206 6.082 -3.915 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.470 6.696 -1.811 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.391 7.259 -3.181 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.521 7.567 -2.127 1.00 1.27 C ATOM 0 H PHE A 122 4.120 2.247 -4.605 1.00 1.05 H new ATOM 0 HA PHE A 122 4.152 4.953 -5.094 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.692 3.141 -3.660 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.851 3.662 -4.867 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.480 4.849 -2.314 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.875 5.839 -4.727 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.800 6.929 -0.997 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.202 7.928 -3.426 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.660 8.475 -1.559 1.00 1.27 H new ATOM 1999 N THR A 123 5.593 3.321 -7.439 1.00 1.15 N ATOM 2000 CA THR A 123 6.163 3.452 -8.804 1.00 1.20 C ATOM 2001 C THR A 123 5.088 3.992 -9.744 1.00 1.18 C ATOM 2002 O THR A 123 5.303 4.928 -10.487 1.00 1.22 O ATOM 2003 CB THR A 123 6.648 2.084 -9.296 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.376 1.441 -8.259 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.551 2.269 -10.516 1.00 1.27 C ATOM 0 H THR A 123 5.400 2.366 -7.137 1.00 1.15 H new ATOM 0 HA THR A 123 7.009 4.139 -8.785 1.00 1.20 H new ATOM 0 HB THR A 123 5.790 1.472 -9.572 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.751 1.075 -7.599 1.00 1.22 H new ATOM 0 HG21 THR A 123 7.895 1.295 -10.865 1.00 1.27 H new ATOM 0 HG22 THR A 123 6.992 2.762 -11.311 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.410 2.881 -10.243 1.00 1.27 H new ATOM 2013 N LYS A 124 3.939 3.390 -9.724 1.00 1.12 N ATOM 2014 CA LYS A 124 2.835 3.818 -10.621 1.00 1.10 C ATOM 2015 C LYS A 124 2.251 5.193 -10.259 1.00 1.10 C ATOM 2016 O LYS A 124 1.686 5.854 -11.108 1.00 1.11 O ATOM 2017 CB LYS A 124 1.722 2.789 -10.504 1.00 1.04 C ATOM 2018 CG LYS A 124 2.154 1.474 -11.151 1.00 1.04 C ATOM 2019 CD LYS A 124 1.090 0.388 -10.868 1.00 0.99 C ATOM 2020 CE LYS A 124 0.802 -0.387 -12.143 1.00 0.98 C ATOM 2021 NZ LYS A 124 -0.329 -1.328 -11.910 1.00 0.92 N ATOM 0 H LYS A 124 3.712 2.605 -9.113 1.00 1.12 H new ATOM 0 HA LYS A 124 3.241 3.896 -11.630 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.477 2.624 -9.455 1.00 1.04 H new ATOM 0 HB3 LYS A 124 0.819 3.162 -10.987 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.276 1.608 -12.226 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.121 1.163 -10.757 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.445 -0.289 -10.091 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.175 0.849 -10.496 1.00 0.99 H new ATOM 0 HE2 LYS A 124 0.555 0.301 -12.951 1.00 0.98 H new ATOM 0 HE3 LYS A 124 1.689 -0.939 -12.454 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 -0.636 -1.733 -12.817 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 -0.019 -2.093 -11.277 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -1.122 -0.816 -11.473 1.00 0.92 H new ATOM 2035 N TYR A 125 2.324 5.618 -9.019 1.00 1.10 N ATOM 2036 CA TYR A 125 1.701 6.939 -8.641 1.00 1.11 C ATOM 2037 C TYR A 125 2.766 8.005 -8.401 1.00 1.17 C ATOM 2038 O TYR A 125 2.482 9.186 -8.379 1.00 1.20 O ATOM 2039 CB TYR A 125 0.861 6.739 -7.380 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.412 6.000 -7.746 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.379 4.622 -8.003 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.625 6.697 -7.833 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.555 3.945 -8.345 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.800 6.018 -8.174 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.766 4.643 -8.430 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.925 3.975 -8.766 1.00 0.86 O ATOM 0 H TYR A 125 2.781 5.118 -8.257 1.00 1.10 H new ATOM 0 HA TYR A 125 1.072 7.284 -9.461 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.425 6.173 -6.638 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.621 7.703 -6.931 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.554 4.083 -7.937 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.653 7.759 -7.637 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.529 2.884 -8.543 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.734 6.556 -8.240 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.674 4.606 -8.779 1.00 0.86 H new ATOM 2056 N ARG A 126 3.981 7.599 -8.221 1.00 1.20 N ATOM 2057 CA ARG A 126 5.087 8.560 -7.981 1.00 1.27 C ATOM 2058 C ARG A 126 4.949 9.778 -8.908 1.00 1.31 C ATOM 2059 O ARG A 126 5.317 10.882 -8.555 1.00 1.35 O ATOM 2060 CB ARG A 126 6.411 7.790 -8.216 1.00 1.31 C ATOM 2061 CG ARG A 126 7.441 8.646 -8.951 1.00 1.38 C ATOM 2062 CD ARG A 126 8.762 7.873 -9.103 1.00 1.42 C ATOM 2063 NE ARG A 126 9.899 8.836 -9.117 1.00 1.49 N ATOM 2064 CZ ARG A 126 11.119 8.408 -8.944 1.00 1.52 C ATOM 2065 NH1 ARG A 126 11.344 7.136 -8.752 1.00 1.50 N ATOM 2066 NH2 ARG A 126 12.114 9.252 -8.959 1.00 1.59 N ATOM 0 H ARG A 126 4.264 6.619 -8.230 1.00 1.20 H new ATOM 0 HA ARG A 126 5.065 8.950 -6.964 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.821 7.470 -7.258 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.209 6.888 -8.793 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.059 8.924 -9.933 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.614 9.572 -8.402 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.879 7.166 -8.281 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.752 7.291 -10.025 1.00 1.42 H new ATOM 0 HE ARG A 126 9.723 9.830 -9.262 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.566 6.477 -8.737 1.00 1.50 H new ATOM 0 HH12 ARG A 126 12.298 6.802 -8.617 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.938 10.246 -9.106 1.00 1.59 H new ATOM 0 HH22 ARG A 126 13.068 8.918 -8.824 1.00 1.59 H new ATOM 2080 N ASN A 127 4.441 9.576 -10.090 1.00 1.30 N ATOM 2081 CA ASN A 127 4.289 10.694 -11.066 1.00 1.33 C ATOM 2082 C ASN A 127 2.810 11.052 -11.195 1.00 1.29 C ATOM 2083 O ASN A 127 2.448 12.161 -11.534 1.00 1.31 O ATOM 2084 CB ASN A 127 4.842 10.209 -12.421 1.00 1.35 C ATOM 2085 CG ASN A 127 6.248 10.773 -12.666 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.398 11.907 -13.076 1.00 1.46 O ATOM 2087 ND2 ASN A 127 7.289 10.022 -12.429 1.00 1.46 N ATOM 0 H ASN A 127 4.119 8.669 -10.428 1.00 1.30 H new ATOM 0 HA ASN A 127 4.831 11.580 -10.736 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.874 9.120 -12.438 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.175 10.521 -13.224 1.00 1.35 H new ATOM 0 HD21 ASN A 127 8.228 10.387 -12.588 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.163 9.070 -12.085 1.00 1.46 H new ATOM 2094 N VAL A 128 1.968 10.107 -10.931 1.00 1.23 N ATOM 2095 CA VAL A 128 0.496 10.332 -11.032 1.00 1.18 C ATOM 2096 C VAL A 128 -0.092 10.464 -9.633 1.00 1.15 C ATOM 2097 O VAL A 128 0.218 9.718 -8.727 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.135 9.150 -11.778 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.655 9.139 -11.578 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.173 9.277 -13.272 1.00 1.17 C ATOM 0 H VAL A 128 2.235 9.166 -10.643 1.00 1.23 H new ATOM 0 HA VAL A 128 0.288 11.250 -11.582 1.00 1.18 H new ATOM 0 HB VAL A 128 0.280 8.222 -11.384 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.086 8.294 -12.114 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.882 9.049 -10.516 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.079 10.067 -11.962 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.273 8.439 -13.808 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.241 10.212 -13.651 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.253 9.271 -13.423 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.928 11.435 -9.468 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.558 11.696 -8.157 1.00 1.17 C ATOM 2112 C GLU A 129 -2.385 10.482 -7.719 1.00 1.11 C ATOM 2113 O GLU A 129 -2.347 10.156 -6.544 1.00 1.08 O ATOM 2114 CB GLU A 129 -2.448 12.942 -8.300 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.886 13.844 -9.416 1.00 1.28 C ATOM 2116 CD GLU A 129 -2.334 15.294 -9.198 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -3.228 15.503 -8.394 1.00 1.30 O ATOM 2118 OE2 GLU A 129 -1.775 16.168 -9.839 1.00 1.32 O ATOM 2119 OXT GLU A 129 -3.042 9.900 -8.567 1.00 1.08 O ATOM 0 H GLU A 129 -1.210 12.078 -10.208 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.798 11.870 -7.395 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -3.471 12.647 -8.535 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.482 13.489 -7.358 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.797 13.789 -9.425 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -2.231 13.491 -10.388 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 21.206 1.378 -4.210 1.00 8.77 N ATOM 2128 CA ASP B 1 20.300 0.475 -3.447 1.00 7.64 C ATOM 2129 C ASP B 1 19.878 1.157 -2.145 1.00 6.39 C ATOM 2130 O ASP B 1 18.861 1.820 -2.079 1.00 5.37 O ATOM 2131 CB ASP B 1 21.033 -0.829 -3.124 1.00 8.05 C ATOM 2132 CG ASP B 1 21.351 -1.572 -4.422 1.00 9.22 C ATOM 2133 OD1 ASP B 1 21.824 -0.932 -5.347 1.00 10.03 O ATOM 2134 OD2 ASP B 1 21.118 -2.769 -4.469 1.00 9.45 O ATOM 0 H1 ASP B 1 21.954 0.816 -4.665 1.00 8.77 H new ATOM 0 H2 ASP B 1 20.661 1.882 -4.938 1.00 8.77 H new ATOM 0 H3 ASP B 1 21.637 2.067 -3.561 1.00 8.77 H new ATOM 0 HA ASP B 1 19.416 0.257 -4.046 1.00 7.64 H new ATOM 0 HB2 ASP B 1 21.953 -0.616 -2.580 1.00 8.05 H new ATOM 0 HB3 ASP B 1 20.417 -1.454 -2.477 1.00 8.05 H new ATOM 2141 N LEU B 2 20.650 1.000 -1.106 1.00 6.54 N ATOM 2142 CA LEU B 2 20.292 1.638 0.191 1.00 5.60 C ATOM 2143 C LEU B 2 20.166 3.151 -0.003 1.00 4.68 C ATOM 2144 O LEU B 2 19.081 3.694 -0.075 1.00 3.60 O ATOM 2145 CB LEU B 2 21.391 1.344 1.226 1.00 6.47 C ATOM 2146 CG LEU B 2 21.209 -0.061 1.827 1.00 7.32 C ATOM 2147 CD1 LEU B 2 19.924 -0.131 2.677 1.00 8.33 C ATOM 2148 CD2 LEU B 2 21.146 -1.099 0.701 1.00 6.54 C ATOM 0 H LEU B 2 21.514 0.457 -1.099 1.00 6.54 H new ATOM 0 HA LEU B 2 19.342 1.237 0.544 1.00 5.60 H new ATOM 0 HB2 LEU B 2 22.371 1.419 0.755 1.00 6.47 H new ATOM 0 HB3 LEU B 2 21.360 2.091 2.019 1.00 6.47 H new ATOM 0 HG LEU B 2 22.060 -0.275 2.473 1.00 7.32 H new ATOM 0 HD11 LEU B 2 19.816 -1.133 3.092 1.00 8.33 H new ATOM 0 HD12 LEU B 2 19.985 0.593 3.489 1.00 8.33 H new ATOM 0 HD13 LEU B 2 19.061 0.098 2.052 1.00 8.33 H new ATOM 0 HD21 LEU B 2 21.017 -2.093 1.129 1.00 6.54 H new ATOM 0 HD22 LEU B 2 20.304 -0.874 0.046 1.00 6.54 H new ATOM 0 HD23 LEU B 2 22.072 -1.069 0.126 1.00 6.54 H new ATOM 2160 N ASP B 3 21.272 3.830 -0.079 1.00 5.20 N ATOM 2161 CA ASP B 3 21.238 5.308 -0.259 1.00 4.64 C ATOM 2162 C ASP B 3 20.247 5.681 -1.364 1.00 3.51 C ATOM 2163 O ASP B 3 19.546 6.665 -1.269 1.00 2.74 O ATOM 2164 CB ASP B 3 22.633 5.805 -0.642 1.00 5.61 C ATOM 2165 CG ASP B 3 22.586 7.313 -0.895 1.00 6.82 C ATOM 2166 OD1 ASP B 3 22.063 8.019 -0.049 1.00 6.92 O ATOM 2167 OD2 ASP B 3 23.074 7.736 -1.930 1.00 7.61 O ATOM 0 H ASP B 3 22.206 3.424 -0.024 1.00 5.20 H new ATOM 0 HA ASP B 3 20.923 5.773 0.675 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.342 5.581 0.155 1.00 5.61 H new ATOM 0 HB3 ASP B 3 22.983 5.287 -1.535 1.00 5.61 H new ATOM 2172 N ALA B 4 20.186 4.911 -2.415 1.00 3.85 N ATOM 2173 CA ALA B 4 19.245 5.240 -3.525 1.00 3.42 C ATOM 2174 C ALA B 4 17.839 5.489 -2.968 1.00 2.89 C ATOM 2175 O ALA B 4 17.275 6.553 -3.135 1.00 2.66 O ATOM 2176 CB ALA B 4 19.202 4.079 -4.520 1.00 4.60 C ATOM 0 H ALA B 4 20.745 4.070 -2.554 1.00 3.85 H new ATOM 0 HA ALA B 4 19.592 6.142 -4.029 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.514 4.320 -5.331 1.00 4.60 H new ATOM 0 HB2 ALA B 4 20.199 3.912 -4.927 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.862 3.177 -4.012 1.00 4.60 H new ATOM 2182 N LEU B 5 17.265 4.516 -2.318 1.00 3.21 N ATOM 2183 CA LEU B 5 15.899 4.688 -1.762 1.00 2.91 C ATOM 2184 C LEU B 5 15.859 5.901 -0.828 1.00 1.92 C ATOM 2185 O LEU B 5 15.042 6.786 -0.984 1.00 2.42 O ATOM 2186 CB LEU B 5 15.524 3.428 -0.981 1.00 3.33 C ATOM 2187 CG LEU B 5 15.596 2.198 -1.901 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.633 0.929 -1.049 1.00 5.26 C ATOM 2189 CD2 LEU B 5 14.370 2.149 -2.825 1.00 5.44 C ATOM 0 H LEU B 5 17.688 3.604 -2.148 1.00 3.21 H new ATOM 0 HA LEU B 5 15.192 4.849 -2.576 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.200 3.300 -0.135 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.518 3.529 -0.573 1.00 3.33 H new ATOM 0 HG LEU B 5 16.498 2.266 -2.510 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.684 0.056 -1.699 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.509 0.951 -0.401 1.00 5.26 H new ATOM 0 HD13 LEU B 5 14.732 0.874 -0.438 1.00 5.26 H new ATOM 0 HD21 LEU B 5 14.435 1.273 -3.470 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.463 2.090 -2.223 1.00 5.44 H new ATOM 0 HD23 LEU B 5 14.340 3.050 -3.438 1.00 5.44 H new ATOM 2201 N LEU B 6 16.727 5.948 0.146 1.00 1.59 N ATOM 2202 CA LEU B 6 16.722 7.104 1.092 1.00 2.01 C ATOM 2203 C LEU B 6 16.664 8.415 0.301 1.00 2.52 C ATOM 2204 O LEU B 6 16.141 9.409 0.764 1.00 3.51 O ATOM 2205 CB LEU B 6 17.993 7.060 1.950 1.00 2.97 C ATOM 2206 CG LEU B 6 18.090 8.311 2.837 1.00 3.38 C ATOM 2207 CD1 LEU B 6 16.812 8.467 3.673 1.00 4.76 C ATOM 2208 CD2 LEU B 6 19.297 8.167 3.770 1.00 3.25 C ATOM 0 H LEU B 6 17.438 5.239 0.328 1.00 1.59 H new ATOM 0 HA LEU B 6 15.849 7.046 1.741 1.00 2.01 H new ATOM 0 HB2 LEU B 6 17.987 6.165 2.573 1.00 2.97 H new ATOM 0 HB3 LEU B 6 18.871 6.995 1.307 1.00 2.97 H new ATOM 0 HG LEU B 6 18.208 9.193 2.207 1.00 3.38 H new ATOM 0 HD11 LEU B 6 16.892 9.357 4.298 1.00 4.76 H new ATOM 0 HD12 LEU B 6 15.953 8.566 3.009 1.00 4.76 H new ATOM 0 HD13 LEU B 6 16.682 7.590 4.306 1.00 4.76 H new ATOM 0 HD21 LEU B 6 19.374 9.050 4.404 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.171 7.282 4.394 1.00 3.25 H new ATOM 0 HD23 LEU B 6 20.206 8.066 3.176 1.00 3.25 H new ATOM 2220 N ALA B 7 17.194 8.422 -0.891 1.00 2.20 N ATOM 2221 CA ALA B 7 17.168 9.664 -1.711 1.00 2.86 C ATOM 2222 C ALA B 7 15.742 9.911 -2.204 1.00 3.63 C ATOM 2223 O ALA B 7 15.226 11.007 -2.116 1.00 4.63 O ATOM 2224 CB ALA B 7 18.107 9.504 -2.910 1.00 2.54 C ATOM 0 H ALA B 7 17.644 7.620 -1.332 1.00 2.20 H new ATOM 0 HA ALA B 7 17.497 10.510 -1.107 1.00 2.86 H new ATOM 0 HB1 ALA B 7 18.088 10.413 -3.511 1.00 2.54 H new ATOM 0 HB2 ALA B 7 19.122 9.324 -2.556 1.00 2.54 H new ATOM 0 HB3 ALA B 7 17.780 8.661 -3.518 1.00 2.54 H new ATOM 2230 N ASP B 8 15.099 8.898 -2.718 1.00 3.56 N ATOM 2231 CA ASP B 8 13.704 9.077 -3.209 1.00 4.78 C ATOM 2232 C ASP B 8 12.870 9.743 -2.112 1.00 5.44 C ATOM 2233 O ASP B 8 12.042 10.593 -2.377 1.00 6.57 O ATOM 2234 CB ASP B 8 13.105 7.711 -3.554 1.00 5.06 C ATOM 2235 CG ASP B 8 11.853 7.903 -4.413 1.00 5.28 C ATOM 2236 OD1 ASP B 8 10.974 8.634 -3.989 1.00 5.79 O ATOM 2237 OD2 ASP B 8 11.797 7.316 -5.481 1.00 5.19 O ATOM 0 H ASP B 8 15.479 7.957 -2.819 1.00 3.56 H new ATOM 0 HA ASP B 8 13.704 9.704 -4.101 1.00 4.78 H new ATOM 0 HB2 ASP B 8 13.837 7.106 -4.090 1.00 5.06 H new ATOM 0 HB3 ASP B 8 12.853 7.172 -2.641 1.00 5.06 H new ATOM 2242 N LEU B 9 13.087 9.367 -0.881 1.00 4.79 N ATOM 2243 CA LEU B 9 12.311 9.982 0.233 1.00 5.50 C ATOM 2244 C LEU B 9 12.656 11.473 0.315 1.00 6.37 C ATOM 2245 O LEU B 9 11.799 12.325 0.192 1.00 7.54 O ATOM 2246 CB LEU B 9 12.676 9.290 1.556 1.00 4.72 C ATOM 2247 CG LEU B 9 11.854 8.007 1.721 1.00 3.99 C ATOM 2248 CD1 LEU B 9 12.200 7.024 0.602 1.00 3.18 C ATOM 2249 CD2 LEU B 9 12.179 7.368 3.074 1.00 4.98 C ATOM 0 H LEU B 9 13.767 8.661 -0.599 1.00 4.79 H new ATOM 0 HA LEU B 9 11.243 9.862 0.052 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.740 9.054 1.571 1.00 4.72 H new ATOM 0 HB3 LEU B 9 12.487 9.963 2.392 1.00 4.72 H new ATOM 0 HG LEU B 9 10.792 8.250 1.673 1.00 3.99 H new ATOM 0 HD11 LEU B 9 11.613 6.113 0.723 1.00 3.18 H new ATOM 0 HD12 LEU B 9 11.972 7.477 -0.363 1.00 3.18 H new ATOM 0 HD13 LEU B 9 13.261 6.780 0.647 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.596 6.455 3.195 1.00 4.98 H new ATOM 0 HD22 LEU B 9 13.241 7.128 3.117 1.00 4.98 H new ATOM 0 HD23 LEU B 9 11.931 8.065 3.874 1.00 4.98 H new ATOM 2261 N GLU B 10 13.905 11.793 0.521 1.00 5.97 N ATOM 2262 CA GLU B 10 14.326 13.177 0.612 1.00 6.96 C ATOM 2263 C GLU B 10 14.131 13.863 -0.746 1.00 7.65 C ATOM 2264 O GLU B 10 14.692 14.930 -0.935 1.00 8.69 O ATOM 2265 CB GLU B 10 15.803 13.105 0.981 1.00 6.57 C ATOM 2266 CG GLU B 10 15.983 12.966 2.499 1.00 6.56 C ATOM 2267 CD GLU B 10 17.433 13.277 2.874 1.00 6.60 C ATOM 2268 OE1 GLU B 10 17.951 14.269 2.386 1.00 6.36 O ATOM 2269 OE2 GLU B 10 18.002 12.518 3.642 1.00 7.16 O ATOM 2270 OXT GLU B 10 13.425 13.309 -1.572 1.00 7.20 O ATOM 0 H GLU B 10 14.658 11.114 0.630 1.00 5.97 H new ATOM 0 HA GLU B 10 13.756 13.751 1.342 1.00 6.96 H new ATOM 0 HB2 GLU B 10 16.267 12.257 0.477 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.313 14.002 0.631 1.00 6.57 H new ATOM 0 HG2 GLU B 10 15.308 13.646 3.019 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.724 11.956 2.815 1.00 6.56 H new TER 2277 GLU B 10