USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 854 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 109 THR OG1 : rot 180:sc= 0.00205 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 93 LYS NZ :NH3+ 163:sc= -0.449 (180deg=-2.24!) USER MOD Set 2.2: A 96 GLN : amide:sc= -2.31! C(o=-2.8!,f=-5.8!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -2:sc= 0.234 USER MOD Single : A 30 ASN : amide:sc= -0.306 K(o=-0.31,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0743 (180deg=-0.417) USER MOD Single : A 41 MET CE :methyl -135:sc= -1.05 (180deg=-1.74) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0984 K(o=-0.098,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 1.45 (180deg=1.12) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00152 (180deg=-0.11) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= 1.87 (180deg=0.161) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0691 (180deg=-0.338) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.05) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 172:sc=-0.00366 (180deg=-0.0873) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 23:sc= -2.65! USER MOD Single : A 107 THR OG1 : rot 121:sc= 1.01 USER MOD Single : A 115 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.842) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= 0.654 (180deg=0.111) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.029 -14.362 3.789 1.00 0.86 N ATOM 2 CA MET A 21 -7.065 -12.897 3.578 1.00 0.65 C ATOM 3 C MET A 21 -6.053 -12.491 2.510 1.00 0.55 C ATOM 4 O MET A 21 -5.049 -13.174 2.303 1.00 0.75 O ATOM 5 CB MET A 21 -6.765 -12.155 4.890 1.00 0.73 C ATOM 6 CG MET A 21 -5.313 -12.235 5.352 1.00 1.04 C ATOM 7 SD MET A 21 -4.751 -13.925 5.653 1.00 1.93 S ATOM 8 CE MET A 21 -3.092 -13.623 6.256 1.00 2.17 C ATOM 0 HA MET A 21 -8.065 -12.624 3.242 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.036 -11.106 4.768 1.00 0.73 H new ATOM 0 HB3 MET A 21 -7.404 -12.560 5.675 1.00 0.73 H new ATOM 0 HG2 MET A 21 -4.673 -11.776 4.598 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.197 -11.653 6.266 1.00 1.04 H new ATOM 0 HE1 MET A 21 -2.610 -14.573 6.487 1.00 2.17 H new ATOM 0 HE2 MET A 21 -2.516 -13.101 5.492 1.00 2.17 H new ATOM 0 HE3 MET A 21 -3.138 -13.011 7.157 1.00 2.17 H new ATOM 17 N THR A 22 -6.324 -11.391 1.824 1.00 0.43 N ATOM 18 CA THR A 22 -5.407 -10.884 0.818 1.00 0.41 C ATOM 19 C THR A 22 -4.819 -9.550 1.263 1.00 0.35 C ATOM 20 O THR A 22 -5.541 -8.676 1.753 1.00 0.38 O ATOM 21 CB THR A 22 -6.107 -10.720 -0.543 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.812 -11.922 -0.871 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.098 -10.420 -1.640 1.00 0.63 C ATOM 0 H THR A 22 -7.170 -10.834 1.946 1.00 0.43 H new ATOM 0 HA THR A 22 -4.603 -11.611 0.703 1.00 0.41 H new ATOM 0 HB THR A 22 -6.804 -9.886 -0.469 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.258 -11.814 -1.737 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.618 -10.309 -2.592 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.569 -9.496 -1.405 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.383 -11.240 -1.711 1.00 0.63 H new ATOM 31 N LEU A 23 -3.511 -9.406 1.110 1.00 0.32 N ATOM 32 CA LEU A 23 -2.819 -8.206 1.539 1.00 0.29 C ATOM 33 C LEU A 23 -2.243 -7.459 0.338 1.00 0.26 C ATOM 34 O LEU A 23 -1.419 -7.993 -0.408 1.00 0.30 O ATOM 35 CB LEU A 23 -1.704 -8.574 2.520 1.00 0.30 C ATOM 36 CG LEU A 23 -2.153 -9.311 3.786 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.955 -9.642 4.660 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.161 -8.482 4.565 1.00 0.39 C ATOM 0 H LEU A 23 -2.907 -10.112 0.689 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.532 -7.550 2.039 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.976 -9.195 1.998 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.189 -7.660 2.816 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.634 -10.242 3.485 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.291 -10.165 5.555 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.265 -10.278 4.106 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.448 -8.721 4.947 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.465 -9.025 5.460 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.707 -7.534 4.853 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.035 -8.291 3.942 1.00 0.39 H new ATOM 50 N PHE A 24 -2.692 -6.231 0.148 1.00 0.25 N ATOM 51 CA PHE A 24 -2.248 -5.417 -0.974 1.00 0.25 C ATOM 52 C PHE A 24 -1.262 -4.364 -0.499 1.00 0.26 C ATOM 53 O PHE A 24 -1.311 -3.937 0.653 1.00 0.30 O ATOM 54 CB PHE A 24 -3.439 -4.725 -1.644 1.00 0.28 C ATOM 55 CG PHE A 24 -4.490 -5.671 -2.147 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.581 -5.975 -3.496 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.387 -6.258 -1.271 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.546 -6.845 -3.958 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.352 -7.127 -1.728 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.432 -7.423 -3.073 1.00 0.51 C ATOM 0 H PHE A 24 -3.368 -5.772 0.759 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.763 -6.073 -1.697 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.895 -4.037 -0.931 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.075 -4.125 -2.478 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.889 -5.526 -4.193 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.329 -6.032 -0.217 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.608 -7.074 -5.012 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.046 -7.577 -1.034 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.187 -8.106 -3.432 1.00 0.51 H new ATOM 70 N VAL A 25 -0.374 -3.948 -1.382 1.00 0.29 N ATOM 71 CA VAL A 25 0.571 -2.900 -1.060 1.00 0.31 C ATOM 72 C VAL A 25 0.797 -1.983 -2.264 1.00 0.30 C ATOM 73 O VAL A 25 1.151 -2.427 -3.358 1.00 0.35 O ATOM 74 CB VAL A 25 1.912 -3.475 -0.537 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.477 -4.518 -1.487 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.925 -2.363 -0.296 1.00 0.98 C ATOM 0 H VAL A 25 -0.289 -4.321 -2.328 1.00 0.29 H new ATOM 0 HA VAL A 25 0.139 -2.306 -0.255 1.00 0.31 H new ATOM 0 HB VAL A 25 1.709 -3.966 0.415 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.417 -4.900 -1.090 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.767 -5.338 -1.591 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.653 -4.064 -2.462 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.857 -2.793 0.071 1.00 0.98 H new ATOM 0 HG22 VAL A 25 3.112 -1.833 -1.230 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.531 -1.666 0.444 1.00 0.98 H new ATOM 86 N LEU A 26 0.540 -0.703 -2.052 1.00 0.34 N ATOM 87 CA LEU A 26 0.728 0.314 -3.072 1.00 0.35 C ATOM 88 C LEU A 26 1.884 1.206 -2.664 1.00 0.34 C ATOM 89 O LEU A 26 2.237 1.266 -1.489 1.00 0.36 O ATOM 90 CB LEU A 26 -0.535 1.173 -3.256 1.00 0.40 C ATOM 91 CG LEU A 26 -1.725 0.509 -3.968 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.222 -0.719 -3.227 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.858 1.504 -4.114 1.00 1.09 C ATOM 0 H LEU A 26 0.194 -0.339 -1.164 1.00 0.34 H new ATOM 0 HA LEU A 26 0.937 -0.183 -4.019 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -0.868 1.503 -2.272 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.260 2.067 -3.815 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.379 0.188 -4.950 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.063 -1.154 -3.767 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.418 -1.451 -3.156 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.543 -0.434 -2.225 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.698 1.027 -4.619 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.173 1.844 -3.127 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -2.519 2.358 -4.701 1.00 1.09 H new ATOM 105 N ILE A 27 2.473 1.894 -3.621 1.00 0.34 N ATOM 106 CA ILE A 27 3.604 2.756 -3.330 1.00 0.32 C ATOM 107 C ILE A 27 3.665 3.931 -4.299 1.00 0.30 C ATOM 108 O ILE A 27 3.899 3.743 -5.493 1.00 0.36 O ATOM 109 CB ILE A 27 4.932 1.955 -3.370 1.00 0.33 C ATOM 110 CG1 ILE A 27 6.144 2.890 -3.263 1.00 0.33 C ATOM 111 CG2 ILE A 27 5.014 1.112 -4.638 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.458 2.159 -3.085 1.00 0.55 C ATOM 0 H ILE A 27 2.191 1.875 -4.601 1.00 0.34 H new ATOM 0 HA ILE A 27 3.468 3.152 -2.324 1.00 0.32 H new ATOM 0 HB ILE A 27 4.946 1.286 -2.510 1.00 0.33 H new ATOM 0 HG12 ILE A 27 6.199 3.505 -4.161 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.997 3.567 -2.421 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.953 0.558 -4.647 1.00 0.35 H new ATOM 0 HG22 ILE A 27 4.179 0.412 -4.664 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.969 1.763 -5.511 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.270 2.882 -3.017 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.423 1.565 -2.172 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.628 1.502 -3.938 1.00 0.55 H new ATOM 124 N LEU A 28 3.436 5.145 -3.798 1.00 0.30 N ATOM 125 CA LEU A 28 3.616 6.319 -4.633 1.00 0.36 C ATOM 126 C LEU A 28 5.025 6.836 -4.434 1.00 0.38 C ATOM 127 O LEU A 28 5.267 7.773 -3.668 1.00 0.41 O ATOM 128 CB LEU A 28 2.624 7.425 -4.256 1.00 0.46 C ATOM 129 CG LEU A 28 1.166 6.999 -4.117 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.301 8.214 -3.837 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.690 6.281 -5.365 1.00 1.18 C ATOM 0 H LEU A 28 3.133 5.333 -2.842 1.00 0.30 H new ATOM 0 HA LEU A 28 3.442 6.041 -5.673 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.944 7.866 -3.312 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.682 8.210 -5.010 1.00 0.46 H new ATOM 0 HG LEU A 28 1.084 6.304 -3.281 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.740 7.905 -3.739 1.00 1.24 H new ATOM 0 HD12 LEU A 28 0.628 8.688 -2.911 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.392 8.923 -4.660 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.352 5.988 -5.241 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.780 6.946 -6.224 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.300 5.393 -5.529 1.00 1.18 H new ATOM 143 N SER A 29 5.954 6.185 -5.093 1.00 0.44 N ATOM 144 CA SER A 29 7.337 6.601 -5.099 1.00 0.56 C ATOM 145 C SER A 29 7.988 6.193 -6.405 1.00 0.68 C ATOM 146 O SER A 29 7.740 5.087 -6.886 1.00 1.05 O ATOM 147 CB SER A 29 8.080 5.973 -3.919 1.00 0.61 C ATOM 148 OG SER A 29 7.519 6.386 -2.685 1.00 1.27 O ATOM 0 H SER A 29 5.771 5.346 -5.644 1.00 0.44 H new ATOM 0 HA SER A 29 7.384 7.686 -5.002 1.00 0.56 H new ATOM 0 HB2 SER A 29 8.038 4.886 -3.996 1.00 0.61 H new ATOM 0 HB3 SER A 29 9.132 6.255 -3.956 1.00 0.61 H new ATOM 0 HG SER A 29 6.788 7.017 -2.853 1.00 1.27 H new ATOM 154 N ASN A 30 8.810 7.043 -6.990 1.00 0.60 N ATOM 155 CA ASN A 30 9.674 6.553 -8.044 1.00 0.67 C ATOM 156 C ASN A 30 11.131 6.750 -7.648 1.00 0.64 C ATOM 157 O ASN A 30 11.774 7.743 -7.986 1.00 0.68 O ATOM 158 CB ASN A 30 9.362 7.245 -9.386 1.00 0.79 C ATOM 159 CG ASN A 30 9.514 8.762 -9.357 1.00 1.85 C ATOM 160 OD1 ASN A 30 9.299 9.411 -8.331 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.889 9.338 -10.489 1.00 2.45 N ATOM 0 H ASN A 30 8.897 8.034 -6.766 1.00 0.60 H new ATOM 0 HA ASN A 30 9.490 5.487 -8.181 1.00 0.67 H new ATOM 0 HB2 ASN A 30 10.022 6.840 -10.153 1.00 0.79 H new ATOM 0 HB3 ASN A 30 8.342 6.999 -9.680 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.009 10.350 -10.531 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.058 8.770 -11.319 1.00 2.45 H new ATOM 168 N ASP A 31 11.642 5.769 -6.923 1.00 0.63 N ATOM 169 CA ASP A 31 13.063 5.648 -6.660 1.00 0.67 C ATOM 170 C ASP A 31 13.564 4.321 -7.206 1.00 0.72 C ATOM 171 O ASP A 31 12.856 3.320 -7.098 1.00 0.81 O ATOM 172 CB ASP A 31 13.356 5.781 -5.167 1.00 0.72 C ATOM 173 CG ASP A 31 14.807 5.506 -4.829 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.128 4.381 -4.401 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.640 6.419 -4.992 1.00 1.57 O ATOM 0 H ASP A 31 11.079 5.032 -6.499 1.00 0.63 H new ATOM 0 HA ASP A 31 13.591 6.458 -7.164 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.095 6.787 -4.838 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.721 5.090 -4.613 1.00 0.72 H new ATOM 180 N LYS A 32 14.751 4.287 -7.778 1.00 0.78 N ATOM 181 CA LYS A 32 15.252 3.052 -8.369 1.00 0.82 C ATOM 182 C LYS A 32 15.376 1.938 -7.329 1.00 0.79 C ATOM 183 O LYS A 32 14.791 0.862 -7.479 1.00 0.81 O ATOM 184 CB LYS A 32 16.601 3.280 -9.038 1.00 0.99 C ATOM 185 CG LYS A 32 16.584 4.376 -10.088 1.00 1.10 C ATOM 186 CD LYS A 32 17.615 4.112 -11.168 1.00 1.61 C ATOM 187 CE LYS A 32 19.024 4.015 -10.600 1.00 2.22 C ATOM 188 NZ LYS A 32 20.012 3.620 -11.637 1.00 2.93 N ATOM 0 H LYS A 32 15.382 5.085 -7.848 1.00 0.78 H new ATOM 0 HA LYS A 32 14.527 2.740 -9.121 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.337 3.532 -8.275 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.928 2.350 -9.502 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.592 4.440 -10.535 1.00 1.10 H new ATOM 0 HG3 LYS A 32 16.784 5.338 -9.617 1.00 1.10 H new ATOM 0 HD2 LYS A 32 17.368 3.185 -11.686 1.00 1.61 H new ATOM 0 HD3 LYS A 32 17.577 4.911 -11.909 1.00 1.61 H new ATOM 0 HE2 LYS A 32 19.310 4.976 -10.173 1.00 2.22 H new ATOM 0 HE3 LYS A 32 19.039 3.288 -9.788 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 20.959 3.565 -11.211 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 19.753 2.691 -12.027 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 20.016 4.327 -12.400 1.00 2.93 H new ATOM 202 N LYS A 33 16.115 2.213 -6.262 1.00 0.84 N ATOM 203 CA LYS A 33 16.428 1.202 -5.259 1.00 0.86 C ATOM 204 C LYS A 33 15.194 0.828 -4.440 1.00 0.74 C ATOM 205 O LYS A 33 14.911 -0.352 -4.232 1.00 0.70 O ATOM 206 CB LYS A 33 17.534 1.713 -4.335 1.00 1.02 C ATOM 207 CG LYS A 33 18.021 0.679 -3.335 1.00 1.56 C ATOM 208 CD LYS A 33 19.088 1.255 -2.422 1.00 2.24 C ATOM 209 CE LYS A 33 19.599 0.215 -1.442 1.00 2.94 C ATOM 210 NZ LYS A 33 20.610 0.783 -0.516 1.00 3.44 N ATOM 0 H LYS A 33 16.511 3.133 -6.068 1.00 0.84 H new ATOM 0 HA LYS A 33 16.770 0.306 -5.777 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.377 2.044 -4.941 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.168 2.585 -3.793 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.181 0.324 -2.738 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.422 -0.184 -3.867 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.917 1.631 -3.021 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.680 2.104 -1.874 1.00 2.24 H new ATOM 0 HE2 LYS A 33 18.764 -0.185 -0.868 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.036 -0.619 -1.991 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 20.936 0.043 0.138 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 21.419 1.142 -1.063 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.185 1.562 0.026 1.00 3.44 H new ATOM 224 N LEU A 34 14.468 1.844 -3.988 1.00 0.72 N ATOM 225 CA LEU A 34 13.282 1.659 -3.155 1.00 0.64 C ATOM 226 C LEU A 34 12.240 0.775 -3.837 1.00 0.58 C ATOM 227 O LEU A 34 11.642 -0.090 -3.198 1.00 0.62 O ATOM 228 CB LEU A 34 12.680 3.025 -2.821 1.00 0.63 C ATOM 229 CG LEU A 34 11.241 3.022 -2.303 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.135 2.296 -0.978 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.730 4.446 -2.168 1.00 1.46 C ATOM 0 H LEU A 34 14.684 2.821 -4.188 1.00 0.72 H new ATOM 0 HA LEU A 34 13.585 1.153 -2.238 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.312 3.504 -2.073 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.720 3.645 -3.717 1.00 0.63 H new ATOM 0 HG LEU A 34 10.623 2.490 -3.026 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.100 2.311 -0.636 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.461 1.263 -1.102 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.768 2.790 -0.241 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.705 4.431 -1.798 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.360 4.994 -1.467 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.758 4.936 -3.141 1.00 1.46 H new ATOM 243 N ILE A 35 12.033 0.988 -5.129 1.00 0.54 N ATOM 244 CA ILE A 35 11.051 0.219 -5.882 1.00 0.52 C ATOM 245 C ILE A 35 11.403 -1.270 -5.878 1.00 0.55 C ATOM 246 O ILE A 35 10.518 -2.130 -5.852 1.00 0.58 O ATOM 247 CB ILE A 35 10.915 0.761 -7.327 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.077 2.043 -7.311 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.305 -0.271 -8.265 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.917 2.690 -8.668 1.00 0.69 C ATOM 0 H ILE A 35 12.532 1.688 -5.678 1.00 0.54 H new ATOM 0 HA ILE A 35 10.084 0.332 -5.392 1.00 0.52 H new ATOM 0 HB ILE A 35 11.913 0.982 -7.706 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.089 1.814 -6.910 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.539 2.759 -6.631 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.227 0.150 -9.268 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.938 -1.158 -8.291 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.312 -0.545 -7.909 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.312 3.591 -8.572 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.898 2.952 -9.064 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.426 1.994 -9.348 1.00 0.69 H new ATOM 262 N GLU A 36 12.696 -1.570 -5.870 1.00 0.59 N ATOM 263 CA GLU A 36 13.148 -2.947 -5.751 1.00 0.66 C ATOM 264 C GLU A 36 12.967 -3.435 -4.318 1.00 0.62 C ATOM 265 O GLU A 36 12.413 -4.508 -4.090 1.00 0.62 O ATOM 266 CB GLU A 36 14.613 -3.078 -6.167 1.00 0.79 C ATOM 267 CG GLU A 36 14.868 -2.695 -7.613 1.00 0.76 C ATOM 268 CD GLU A 36 16.308 -2.910 -8.030 1.00 1.34 C ATOM 269 OE1 GLU A 36 17.083 -1.932 -8.042 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.669 -4.059 -8.353 1.00 1.87 O ATOM 0 H GLU A 36 13.445 -0.881 -5.944 1.00 0.59 H new ATOM 0 HA GLU A 36 12.546 -3.563 -6.418 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.224 -2.449 -5.520 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.937 -4.107 -6.009 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.215 -3.281 -8.260 1.00 0.76 H new ATOM 0 HG3 GLU A 36 14.604 -1.647 -7.759 1.00 0.76 H new ATOM 277 N GLU A 37 13.411 -2.623 -3.358 1.00 0.62 N ATOM 278 CA GLU A 37 13.332 -2.969 -1.936 1.00 0.65 C ATOM 279 C GLU A 37 11.898 -3.289 -1.521 1.00 0.56 C ATOM 280 O GLU A 37 11.654 -4.222 -0.755 1.00 0.57 O ATOM 281 CB GLU A 37 13.864 -1.820 -1.073 1.00 0.73 C ATOM 282 CG GLU A 37 15.325 -1.483 -1.322 1.00 0.85 C ATOM 283 CD GLU A 37 16.260 -2.622 -0.987 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.755 -3.283 -1.920 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.514 -2.852 0.216 1.00 1.84 O ATOM 0 H GLU A 37 13.833 -1.713 -3.541 1.00 0.62 H new ATOM 0 HA GLU A 37 13.947 -3.856 -1.782 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.261 -0.931 -1.258 1.00 0.73 H new ATOM 0 HB3 GLU A 37 13.736 -2.079 -0.022 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.455 -1.209 -2.369 1.00 0.85 H new ATOM 0 HG3 GLU A 37 15.597 -0.610 -0.728 1.00 0.85 H new ATOM 292 N ALA A 38 10.958 -2.501 -2.030 1.00 0.51 N ATOM 293 CA ALA A 38 9.547 -2.699 -1.733 1.00 0.46 C ATOM 294 C ALA A 38 9.082 -4.072 -2.196 1.00 0.42 C ATOM 295 O ALA A 38 8.444 -4.811 -1.443 1.00 0.43 O ATOM 296 CB ALA A 38 8.709 -1.605 -2.383 1.00 0.50 C ATOM 0 H ALA A 38 11.150 -1.716 -2.653 1.00 0.51 H new ATOM 0 HA ALA A 38 9.415 -2.643 -0.652 1.00 0.46 H new ATOM 0 HB1 ALA A 38 7.656 -1.767 -2.152 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.019 -0.633 -2.000 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.851 -1.631 -3.463 1.00 0.50 H new ATOM 302 N ARG A 39 9.425 -4.427 -3.428 1.00 0.43 N ATOM 303 CA ARG A 39 9.021 -5.713 -3.976 1.00 0.45 C ATOM 304 C ARG A 39 9.760 -6.851 -3.292 1.00 0.45 C ATOM 305 O ARG A 39 9.184 -7.904 -3.057 1.00 0.49 O ATOM 306 CB ARG A 39 9.244 -5.770 -5.487 1.00 0.53 C ATOM 307 CG ARG A 39 8.946 -7.138 -6.087 1.00 0.60 C ATOM 308 CD ARG A 39 8.789 -7.064 -7.595 1.00 0.77 C ATOM 309 NE ARG A 39 7.670 -6.204 -7.979 1.00 1.46 N ATOM 310 CZ ARG A 39 6.463 -6.658 -8.320 1.00 1.90 C ATOM 311 NH1 ARG A 39 6.215 -7.963 -8.335 1.00 1.82 N ATOM 312 NH2 ARG A 39 5.501 -5.805 -8.649 1.00 2.96 N ATOM 0 H ARG A 39 9.977 -3.848 -4.061 1.00 0.43 H new ATOM 0 HA ARG A 39 7.954 -5.827 -3.786 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.613 -5.024 -5.969 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.278 -5.502 -5.705 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.752 -7.829 -5.838 1.00 0.60 H new ATOM 0 HG3 ARG A 39 8.034 -7.539 -5.645 1.00 0.60 H new ATOM 0 HD2 ARG A 39 9.709 -6.684 -8.039 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.632 -8.066 -7.995 1.00 0.77 H new ATOM 0 HE ARG A 39 7.822 -5.195 -7.986 1.00 1.46 H new ATOM 0 HH11 ARG A 39 6.950 -8.625 -8.085 1.00 1.82 H new ATOM 0 HH12 ARG A 39 5.290 -8.303 -8.597 1.00 1.82 H new ATOM 0 HH21 ARG A 39 5.684 -4.802 -8.641 1.00 2.96 H new ATOM 0 HH22 ARG A 39 4.578 -6.153 -8.910 1.00 2.96 H new ATOM 326 N LYS A 40 11.026 -6.633 -2.959 1.00 0.49 N ATOM 327 CA LYS A 40 11.822 -7.653 -2.278 1.00 0.55 C ATOM 328 C LYS A 40 11.098 -8.171 -1.043 1.00 0.49 C ATOM 329 O LYS A 40 11.089 -9.372 -0.772 1.00 0.54 O ATOM 330 CB LYS A 40 13.192 -7.102 -1.887 1.00 0.70 C ATOM 331 CG LYS A 40 14.082 -6.806 -3.080 1.00 0.85 C ATOM 332 CD LYS A 40 15.432 -6.264 -2.654 1.00 1.27 C ATOM 333 CE LYS A 40 16.325 -6.012 -3.855 1.00 1.34 C ATOM 334 NZ LYS A 40 16.564 -7.256 -4.635 1.00 1.88 N ATOM 0 H LYS A 40 11.524 -5.763 -3.147 1.00 0.49 H new ATOM 0 HA LYS A 40 11.964 -8.482 -2.972 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.057 -6.189 -1.308 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.693 -7.820 -1.238 1.00 0.70 H new ATOM 0 HG2 LYS A 40 14.223 -7.716 -3.663 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.589 -6.084 -3.731 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.296 -5.337 -2.098 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.915 -6.972 -1.980 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.866 -5.262 -4.499 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.279 -5.604 -3.520 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.385 -7.122 -5.260 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.750 -8.044 -3.983 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 15.724 -7.473 -5.209 1.00 1.88 H new ATOM 348 N MET A 41 10.468 -7.261 -0.318 1.00 0.45 N ATOM 349 CA MET A 41 9.745 -7.622 0.890 1.00 0.46 C ATOM 350 C MET A 41 8.340 -8.107 0.571 1.00 0.41 C ATOM 351 O MET A 41 7.903 -9.124 1.096 1.00 0.46 O ATOM 352 CB MET A 41 9.670 -6.437 1.844 1.00 0.57 C ATOM 353 CG MET A 41 11.022 -5.982 2.351 1.00 0.89 C ATOM 354 SD MET A 41 11.898 -7.263 3.271 1.00 1.10 S ATOM 355 CE MET A 41 10.797 -7.492 4.663 1.00 1.68 C ATOM 0 H MET A 41 10.443 -6.267 -0.545 1.00 0.45 H new ATOM 0 HA MET A 41 10.292 -8.435 1.367 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.182 -5.604 1.338 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.043 -6.705 2.695 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.634 -5.667 1.506 1.00 0.89 H new ATOM 0 HG3 MET A 41 10.889 -5.110 2.991 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.379 -7.534 5.584 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.097 -6.658 4.714 1.00 1.68 H new ATOM 0 HE3 MET A 41 10.244 -8.423 4.540 1.00 1.68 H new ATOM 365 N ALA A 42 7.637 -7.383 -0.293 1.00 0.37 N ATOM 366 CA ALA A 42 6.238 -7.685 -0.584 1.00 0.39 C ATOM 367 C ALA A 42 6.082 -8.965 -1.391 1.00 0.42 C ATOM 368 O ALA A 42 5.156 -9.736 -1.157 1.00 0.49 O ATOM 369 CB ALA A 42 5.584 -6.530 -1.312 1.00 0.43 C ATOM 0 H ALA A 42 8.011 -6.584 -0.804 1.00 0.37 H new ATOM 0 HA ALA A 42 5.739 -7.836 0.373 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.542 -6.774 -1.520 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.630 -5.635 -0.691 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.108 -6.348 -2.250 1.00 0.43 H new ATOM 375 N GLU A 43 6.978 -9.188 -2.342 1.00 0.45 N ATOM 376 CA GLU A 43 6.948 -10.405 -3.140 1.00 0.59 C ATOM 377 C GLU A 43 7.189 -11.594 -2.216 1.00 0.63 C ATOM 378 O GLU A 43 6.459 -12.586 -2.244 1.00 0.75 O ATOM 379 CB GLU A 43 8.018 -10.347 -4.237 1.00 0.71 C ATOM 380 CG GLU A 43 7.701 -11.166 -5.482 1.00 0.87 C ATOM 381 CD GLU A 43 7.597 -12.651 -5.212 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.598 -13.249 -4.767 1.00 2.36 O ATOM 383 OE2 GLU A 43 6.518 -13.230 -5.462 1.00 2.41 O ATOM 0 H GLU A 43 7.733 -8.544 -2.579 1.00 0.45 H new ATOM 0 HA GLU A 43 5.978 -10.509 -3.626 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.162 -9.307 -4.530 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.964 -10.695 -3.821 1.00 0.71 H new ATOM 0 HG2 GLU A 43 6.762 -10.815 -5.910 1.00 0.87 H new ATOM 0 HG3 GLU A 43 8.476 -10.993 -6.229 1.00 0.87 H new ATOM 390 N LYS A 44 8.198 -11.450 -1.364 1.00 0.60 N ATOM 391 CA LYS A 44 8.535 -12.460 -0.369 1.00 0.70 C ATOM 392 C LYS A 44 7.395 -12.635 0.634 1.00 0.66 C ATOM 393 O LYS A 44 7.127 -13.739 1.109 1.00 0.75 O ATOM 394 CB LYS A 44 9.813 -12.048 0.353 1.00 0.81 C ATOM 395 CG LYS A 44 10.317 -13.067 1.353 1.00 1.39 C ATOM 396 CD LYS A 44 11.701 -12.693 1.833 1.00 2.35 C ATOM 397 CE LYS A 44 12.252 -13.706 2.821 1.00 3.19 C ATOM 398 NZ LYS A 44 13.612 -13.334 3.295 1.00 3.63 N ATOM 0 H LYS A 44 8.805 -10.630 -1.344 1.00 0.60 H new ATOM 0 HA LYS A 44 8.691 -13.414 -0.872 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.592 -11.866 -0.387 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.637 -11.105 0.870 1.00 0.81 H new ATOM 0 HG2 LYS A 44 9.634 -13.123 2.201 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.339 -14.056 0.895 1.00 1.39 H new ATOM 0 HD2 LYS A 44 12.373 -12.617 0.978 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.669 -11.709 2.302 1.00 2.35 H new ATOM 0 HE2 LYS A 44 11.579 -13.784 3.675 1.00 3.19 H new ATOM 0 HE3 LYS A 44 12.287 -14.689 2.352 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.953 -14.050 3.968 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 14.261 -13.284 2.484 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 13.574 -12.407 3.766 1.00 3.63 H new ATOM 412 N ALA A 45 6.721 -11.534 0.943 1.00 0.57 N ATOM 413 CA ALA A 45 5.609 -11.549 1.880 1.00 0.59 C ATOM 414 C ALA A 45 4.332 -12.046 1.213 1.00 0.59 C ATOM 415 O ALA A 45 3.305 -12.224 1.868 1.00 0.66 O ATOM 416 CB ALA A 45 5.398 -10.166 2.478 1.00 0.56 C ATOM 0 H ALA A 45 6.929 -10.614 0.554 1.00 0.57 H new ATOM 0 HA ALA A 45 5.856 -12.242 2.684 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.562 -10.195 3.177 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.300 -9.856 3.005 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.180 -9.455 1.681 1.00 0.56 H new ATOM 422 N ASN A 46 4.425 -12.272 -0.098 1.00 0.56 N ATOM 423 CA ASN A 46 3.314 -12.774 -0.904 1.00 0.60 C ATOM 424 C ASN A 46 2.156 -11.777 -0.893 1.00 0.54 C ATOM 425 O ASN A 46 0.993 -12.137 -0.708 1.00 0.63 O ATOM 426 CB ASN A 46 2.870 -14.155 -0.404 1.00 0.76 C ATOM 427 CG ASN A 46 1.931 -14.864 -1.364 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.952 -14.624 -2.572 1.00 2.03 O ATOM 429 ND2 ASN A 46 1.121 -15.766 -0.836 1.00 2.18 N ATOM 0 H ASN A 46 5.279 -12.111 -0.633 1.00 0.56 H new ATOM 0 HA ASN A 46 3.649 -12.886 -1.935 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.751 -14.776 -0.242 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.376 -14.044 0.561 1.00 0.76 H new ATOM 0 HD21 ASN A 46 0.484 -16.292 -1.434 1.00 2.18 H new ATOM 0 HD22 ASN A 46 1.133 -15.936 0.170 1.00 2.18 H new ATOM 436 N LEU A 47 2.500 -10.510 -1.073 1.00 0.44 N ATOM 437 CA LEU A 47 1.512 -9.444 -1.138 1.00 0.42 C ATOM 438 C LEU A 47 1.272 -9.061 -2.590 1.00 0.41 C ATOM 439 O LEU A 47 2.016 -9.476 -3.480 1.00 0.58 O ATOM 440 CB LEU A 47 1.994 -8.206 -0.378 1.00 0.43 C ATOM 441 CG LEU A 47 2.622 -8.458 0.992 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.046 -7.142 1.622 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.662 -9.193 1.909 1.00 0.59 C ATOM 0 H LEU A 47 3.464 -10.194 -1.177 1.00 0.44 H new ATOM 0 HA LEU A 47 0.590 -9.806 -0.682 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.723 -7.685 -0.999 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.147 -7.532 -0.248 1.00 0.43 H new ATOM 0 HG LEU A 47 3.501 -9.087 0.851 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.492 -7.333 2.598 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.776 -6.649 0.979 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.175 -6.498 1.741 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.137 -9.358 2.876 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.760 -8.596 2.045 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.399 -10.153 1.466 1.00 0.59 H new ATOM 455 N ILE A 48 0.239 -8.271 -2.829 1.00 0.30 N ATOM 456 CA ILE A 48 -0.026 -7.759 -4.164 1.00 0.32 C ATOM 457 C ILE A 48 0.462 -6.319 -4.273 1.00 0.32 C ATOM 458 O ILE A 48 -0.160 -5.401 -3.735 1.00 0.33 O ATOM 459 CB ILE A 48 -1.528 -7.836 -4.516 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.028 -9.275 -4.363 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.770 -7.332 -5.934 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.490 -9.459 -4.705 1.00 0.53 C ATOM 0 H ILE A 48 -0.429 -7.971 -2.119 1.00 0.30 H new ATOM 0 HA ILE A 48 0.515 -8.383 -4.876 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.084 -7.198 -3.829 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.431 -9.926 -5.002 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.862 -9.599 -3.335 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.833 -7.393 -6.165 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.441 -6.296 -6.013 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.209 -7.946 -6.639 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.766 -10.505 -4.571 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.098 -8.836 -4.049 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.661 -9.168 -5.742 1.00 0.53 H new ATOM 474 N LEU A 49 1.588 -6.136 -4.949 1.00 0.34 N ATOM 475 CA LEU A 49 2.214 -4.824 -5.067 1.00 0.35 C ATOM 476 C LEU A 49 1.813 -4.138 -6.365 1.00 0.35 C ATOM 477 O LEU A 49 1.997 -4.688 -7.452 1.00 0.44 O ATOM 478 CB LEU A 49 3.740 -4.962 -5.011 1.00 0.44 C ATOM 479 CG LEU A 49 4.530 -3.661 -5.205 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.370 -2.743 -4.005 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.999 -3.962 -5.451 1.00 1.14 C ATOM 0 H LEU A 49 2.090 -6.884 -5.427 1.00 0.34 H new ATOM 0 HA LEU A 49 1.871 -4.213 -4.232 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.013 -5.392 -4.047 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.051 -5.673 -5.777 1.00 0.44 H new ATOM 0 HG LEU A 49 4.128 -3.149 -6.079 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.940 -1.828 -4.168 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.317 -2.496 -3.874 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.739 -3.245 -3.111 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.544 -3.028 -5.586 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.408 -4.500 -4.596 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.100 -4.574 -6.347 1.00 1.14 H new ATOM 493 N ILE A 50 1.262 -2.941 -6.250 1.00 0.33 N ATOM 494 CA ILE A 50 0.959 -2.136 -7.422 1.00 0.34 C ATOM 495 C ILE A 50 1.736 -0.824 -7.353 1.00 0.32 C ATOM 496 O ILE A 50 1.461 0.034 -6.512 1.00 0.36 O ATOM 497 CB ILE A 50 -0.553 -1.829 -7.577 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.404 -3.102 -7.475 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.807 -1.144 -8.912 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.850 -3.435 -6.067 1.00 0.94 C ATOM 0 H ILE A 50 1.016 -2.506 -5.361 1.00 0.33 H new ATOM 0 HA ILE A 50 1.258 -2.720 -8.293 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.844 -1.167 -6.762 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -2.285 -2.989 -8.107 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.833 -3.941 -7.872 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.871 -0.931 -9.015 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.244 -0.211 -8.955 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.488 -1.798 -9.723 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.446 -4.347 -6.080 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -0.975 -3.582 -5.433 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.450 -2.615 -5.672 1.00 0.94 H new ATOM 512 N THR A 51 2.721 -0.685 -8.226 1.00 0.32 N ATOM 513 CA THR A 51 3.584 0.483 -8.227 1.00 0.35 C ATOM 514 C THR A 51 3.013 1.584 -9.122 1.00 0.38 C ATOM 515 O THR A 51 3.131 1.531 -10.348 1.00 0.55 O ATOM 516 CB THR A 51 5.002 0.109 -8.702 1.00 0.47 C ATOM 517 OG1 THR A 51 5.414 -1.111 -8.066 1.00 1.17 O ATOM 518 CG2 THR A 51 5.999 1.210 -8.368 1.00 0.89 C ATOM 0 H THR A 51 2.943 -1.372 -8.947 1.00 0.32 H new ATOM 0 HA THR A 51 3.639 0.858 -7.205 1.00 0.35 H new ATOM 0 HB THR A 51 4.978 -0.021 -9.784 1.00 0.47 H new ATOM 0 HG1 THR A 51 6.315 -1.350 -8.369 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.991 0.920 -8.714 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.699 2.135 -8.861 1.00 0.89 H new ATOM 0 HG23 THR A 51 6.022 1.365 -7.289 1.00 0.89 H new ATOM 526 N VAL A 52 2.387 2.571 -8.499 1.00 0.39 N ATOM 527 CA VAL A 52 1.799 3.695 -9.219 1.00 0.49 C ATOM 528 C VAL A 52 2.388 5.009 -8.718 1.00 0.58 C ATOM 529 O VAL A 52 2.630 5.166 -7.526 1.00 0.80 O ATOM 530 CB VAL A 52 0.261 3.739 -9.054 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.409 2.643 -9.864 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.131 3.621 -7.589 1.00 1.04 C ATOM 0 H VAL A 52 2.272 2.618 -7.487 1.00 0.39 H new ATOM 0 HA VAL A 52 2.031 3.559 -10.275 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.082 4.703 -9.430 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.489 2.699 -9.728 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.169 2.772 -10.919 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.051 1.670 -9.526 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.217 3.654 -7.499 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.237 2.676 -7.189 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.305 4.447 -7.028 1.00 1.04 H new ATOM 542 N GLY A 53 2.624 5.948 -9.619 1.00 0.66 N ATOM 543 CA GLY A 53 3.139 7.233 -9.202 1.00 0.75 C ATOM 544 C GLY A 53 2.218 8.368 -9.582 1.00 0.81 C ATOM 545 O GLY A 53 2.277 8.864 -10.710 1.00 1.24 O ATOM 0 H GLY A 53 2.470 5.846 -10.622 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.284 7.231 -8.122 1.00 0.75 H new ATOM 0 HA3 GLY A 53 4.117 7.394 -9.654 1.00 0.75 H new ATOM 549 N ASP A 54 1.382 8.766 -8.616 1.00 0.71 N ATOM 550 CA ASP A 54 0.426 9.878 -8.740 1.00 0.82 C ATOM 551 C ASP A 54 -0.712 9.648 -7.750 1.00 0.70 C ATOM 552 O ASP A 54 -1.026 8.504 -7.425 1.00 0.64 O ATOM 553 CB ASP A 54 -0.165 9.992 -10.150 1.00 1.08 C ATOM 554 CG ASP A 54 -0.931 11.281 -10.360 1.00 1.34 C ATOM 555 OD1 ASP A 54 -0.308 12.288 -10.756 1.00 1.75 O ATOM 556 OD2 ASP A 54 -2.159 11.292 -10.142 1.00 1.98 O ATOM 0 H ASP A 54 1.349 8.314 -7.702 1.00 0.71 H new ATOM 0 HA ASP A 54 0.962 10.804 -8.532 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.639 9.929 -10.883 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.828 9.146 -10.331 1.00 1.08 H new ATOM 561 N GLU A 55 -1.334 10.723 -7.279 1.00 0.80 N ATOM 562 CA GLU A 55 -2.402 10.620 -6.289 1.00 0.79 C ATOM 563 C GLU A 55 -3.663 10.048 -6.916 1.00 0.69 C ATOM 564 O GLU A 55 -4.479 9.422 -6.239 1.00 0.71 O ATOM 565 CB GLU A 55 -2.728 11.982 -5.675 1.00 0.95 C ATOM 566 CG GLU A 55 -1.550 12.671 -4.988 1.00 0.90 C ATOM 567 CD GLU A 55 -0.469 13.124 -5.951 1.00 1.53 C ATOM 568 OE1 GLU A 55 0.719 13.120 -5.563 1.00 2.16 O ATOM 569 OE2 GLU A 55 -0.803 13.469 -7.104 1.00 2.21 O ATOM 0 H GLU A 55 -1.117 11.677 -7.567 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.047 9.953 -5.503 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.108 12.637 -6.459 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.531 11.855 -4.949 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.917 13.535 -4.434 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.114 11.987 -4.260 1.00 0.90 H new ATOM 576 N GLU A 56 -3.832 10.278 -8.208 1.00 0.70 N ATOM 577 CA GLU A 56 -4.989 9.764 -8.914 1.00 0.70 C ATOM 578 C GLU A 56 -4.713 8.349 -9.399 1.00 0.66 C ATOM 579 O GLU A 56 -5.609 7.511 -9.412 1.00 0.67 O ATOM 580 CB GLU A 56 -5.368 10.679 -10.076 1.00 0.82 C ATOM 581 CG GLU A 56 -5.725 12.089 -9.637 1.00 0.93 C ATOM 582 CD GLU A 56 -6.813 12.116 -8.581 1.00 1.33 C ATOM 583 OE1 GLU A 56 -6.490 12.332 -7.394 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.996 11.927 -8.929 1.00 1.89 O ATOM 0 H GLU A 56 -3.185 10.815 -8.785 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.835 9.737 -8.228 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.537 10.724 -10.780 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.214 10.246 -10.609 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.834 12.580 -9.247 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -6.052 12.663 -10.504 1.00 0.93 H new ATOM 591 N GLU A 57 -3.461 8.081 -9.771 1.00 0.65 N ATOM 592 CA GLU A 57 -3.043 6.723 -10.112 1.00 0.65 C ATOM 593 C GLU A 57 -3.153 5.827 -8.888 1.00 0.55 C ATOM 594 O GLU A 57 -3.430 4.632 -9.006 1.00 0.52 O ATOM 595 CB GLU A 57 -1.607 6.695 -10.643 1.00 0.73 C ATOM 596 CG GLU A 57 -1.459 7.250 -12.049 1.00 1.11 C ATOM 597 CD GLU A 57 -2.135 6.377 -13.085 1.00 1.52 C ATOM 598 OE1 GLU A 57 -3.284 6.676 -13.466 1.00 2.13 O ATOM 599 OE2 GLU A 57 -1.518 5.381 -13.527 1.00 2.16 O ATOM 0 H GLU A 57 -2.724 8.782 -9.843 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.702 6.357 -10.899 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.970 7.267 -9.968 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.245 5.667 -10.629 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.885 8.253 -12.088 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -0.400 7.344 -12.291 1.00 1.11 H new ATOM 606 N LEU A 58 -2.934 6.410 -7.711 1.00 0.52 N ATOM 607 CA LEU A 58 -3.161 5.700 -6.460 1.00 0.48 C ATOM 608 C LEU A 58 -4.587 5.186 -6.426 1.00 0.46 C ATOM 609 O LEU A 58 -4.832 4.030 -6.107 1.00 0.44 O ATOM 610 CB LEU A 58 -2.926 6.609 -5.249 1.00 0.52 C ATOM 611 CG LEU A 58 -3.158 5.932 -3.892 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.112 4.860 -3.643 1.00 0.83 C ATOM 613 CD2 LEU A 58 -3.155 6.950 -2.763 1.00 0.74 C ATOM 0 H LEU A 58 -2.601 7.368 -7.600 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.455 4.871 -6.408 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -1.903 6.983 -5.284 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.584 7.474 -5.327 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.140 5.460 -3.918 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.294 4.392 -2.676 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.170 4.106 -4.428 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.120 5.312 -3.647 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -3.322 6.441 -1.814 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -2.193 7.461 -2.737 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.949 7.679 -2.928 1.00 0.74 H new ATOM 625 N LYS A 59 -5.516 6.053 -6.804 1.00 0.52 N ATOM 626 CA LYS A 59 -6.937 5.724 -6.809 1.00 0.57 C ATOM 627 C LYS A 59 -7.260 4.618 -7.808 1.00 0.51 C ATOM 628 O LYS A 59 -8.307 3.976 -7.729 1.00 0.58 O ATOM 629 CB LYS A 59 -7.756 6.976 -7.108 1.00 0.69 C ATOM 630 CG LYS A 59 -7.585 8.065 -6.061 1.00 0.76 C ATOM 631 CD LYS A 59 -8.334 9.330 -6.437 1.00 0.97 C ATOM 632 CE LYS A 59 -8.253 10.372 -5.336 1.00 1.64 C ATOM 633 NZ LYS A 59 -6.879 10.920 -5.188 1.00 2.26 N ATOM 0 H LYS A 59 -5.308 7.002 -7.115 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.200 5.349 -5.820 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.466 7.369 -8.083 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -8.810 6.706 -7.174 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.944 7.703 -5.098 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.526 8.292 -5.942 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -7.919 9.739 -7.358 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.378 9.090 -6.636 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.946 11.185 -5.554 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.570 9.928 -4.392 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -6.721 11.198 -4.198 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -6.185 10.194 -5.459 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -6.769 11.751 -5.803 1.00 2.26 H new ATOM 647 N LYS A 60 -6.351 4.402 -8.738 1.00 0.49 N ATOM 648 CA LYS A 60 -6.528 3.402 -9.776 1.00 0.48 C ATOM 649 C LYS A 60 -5.967 2.062 -9.324 1.00 0.41 C ATOM 650 O LYS A 60 -6.532 1.006 -9.615 1.00 0.41 O ATOM 651 CB LYS A 60 -5.841 3.898 -11.038 1.00 0.58 C ATOM 652 CG LYS A 60 -6.218 5.335 -11.331 1.00 0.72 C ATOM 653 CD LYS A 60 -7.650 5.432 -11.814 1.00 1.19 C ATOM 654 CE LYS A 60 -8.153 6.865 -11.828 1.00 1.91 C ATOM 655 NZ LYS A 60 -9.597 6.927 -12.167 1.00 2.35 N ATOM 0 H LYS A 60 -5.470 4.913 -8.797 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.588 3.251 -9.980 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -4.760 3.818 -10.924 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.120 3.266 -11.881 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -6.092 5.938 -10.432 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -5.547 5.744 -12.086 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -7.723 5.013 -12.818 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.291 4.830 -11.170 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.987 7.321 -10.852 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -7.582 7.446 -12.552 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -9.911 7.918 -12.169 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -9.751 6.514 -13.109 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -10.143 6.392 -11.461 1.00 2.35 H new ATOM 669 N ALA A 61 -4.859 2.115 -8.597 1.00 0.40 N ATOM 670 CA ALA A 61 -4.306 0.931 -7.961 1.00 0.39 C ATOM 671 C ALA A 61 -5.220 0.505 -6.822 1.00 0.32 C ATOM 672 O ALA A 61 -5.452 -0.681 -6.594 1.00 0.34 O ATOM 673 CB ALA A 61 -2.907 1.216 -7.445 1.00 0.47 C ATOM 0 H ALA A 61 -4.325 2.969 -8.434 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.239 0.123 -8.689 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.505 0.321 -6.971 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.265 1.506 -8.276 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -2.946 2.026 -6.717 1.00 0.47 H new ATOM 679 N ILE A 62 -5.738 1.500 -6.121 1.00 0.31 N ATOM 680 CA ILE A 62 -6.734 1.292 -5.078 1.00 0.37 C ATOM 681 C ILE A 62 -7.983 0.626 -5.654 1.00 0.36 C ATOM 682 O ILE A 62 -8.541 -0.292 -5.055 1.00 0.38 O ATOM 683 CB ILE A 62 -7.107 2.640 -4.412 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.994 3.091 -3.466 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.427 2.552 -3.666 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.228 4.458 -2.864 1.00 0.53 C ATOM 0 H ILE A 62 -5.480 2.477 -6.258 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.307 0.634 -4.322 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.223 3.378 -5.205 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.894 2.362 -2.662 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.049 3.099 -4.008 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.654 3.517 -3.213 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.221 2.282 -4.362 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -8.355 1.793 -2.887 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.398 4.712 -2.204 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.298 5.199 -3.660 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.156 4.450 -2.293 1.00 0.53 H new ATOM 698 N LYS A 63 -8.394 1.080 -6.834 1.00 0.37 N ATOM 699 CA LYS A 63 -9.581 0.551 -7.494 1.00 0.40 C ATOM 700 C LYS A 63 -9.437 -0.945 -7.770 1.00 0.35 C ATOM 701 O LYS A 63 -10.353 -1.720 -7.498 1.00 0.40 O ATOM 702 CB LYS A 63 -9.837 1.308 -8.802 1.00 0.49 C ATOM 703 CG LYS A 63 -11.110 0.893 -9.524 1.00 0.59 C ATOM 704 CD LYS A 63 -12.350 1.167 -8.687 1.00 1.21 C ATOM 705 CE LYS A 63 -13.625 0.842 -9.450 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.690 -0.589 -9.851 1.00 2.76 N ATOM 0 H LYS A 63 -7.919 1.817 -7.355 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.432 0.691 -6.827 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -9.886 2.375 -8.587 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -8.988 1.156 -9.469 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.183 1.431 -10.469 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.061 -0.169 -9.765 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.311 0.574 -7.773 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.362 2.215 -8.387 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -14.489 1.084 -8.831 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.685 1.470 -10.339 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.635 -0.801 -10.231 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -12.973 -0.778 -10.581 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.507 -1.190 -9.022 1.00 2.76 H new ATOM 720 N LYS A 64 -8.286 -1.346 -8.298 1.00 0.34 N ATOM 721 CA LYS A 64 -8.057 -2.751 -8.618 1.00 0.39 C ATOM 722 C LYS A 64 -7.833 -3.568 -7.349 1.00 0.35 C ATOM 723 O LYS A 64 -8.240 -4.723 -7.277 1.00 0.40 O ATOM 724 CB LYS A 64 -6.881 -2.916 -9.594 1.00 0.51 C ATOM 725 CG LYS A 64 -5.529 -2.487 -9.044 1.00 1.05 C ATOM 726 CD LYS A 64 -4.434 -2.588 -10.100 1.00 1.04 C ATOM 727 CE LYS A 64 -4.693 -1.646 -11.267 1.00 1.59 C ATOM 728 NZ LYS A 64 -3.640 -1.744 -12.312 1.00 2.11 N ATOM 0 H LYS A 64 -7.505 -0.726 -8.512 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.952 -3.130 -9.111 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.820 -3.962 -9.893 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -7.091 -2.338 -10.494 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.592 -1.461 -8.682 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -5.269 -3.111 -8.189 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -3.470 -2.353 -9.649 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.374 -3.613 -10.466 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -5.663 -1.875 -11.708 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.744 -0.621 -10.900 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -3.857 -1.085 -13.087 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -2.717 -1.500 -11.899 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -3.608 -2.715 -12.682 1.00 2.11 H new ATOM 742 N ALA A 65 -7.205 -2.964 -6.346 1.00 0.30 N ATOM 743 CA ALA A 65 -6.989 -3.632 -5.066 1.00 0.30 C ATOM 744 C ALA A 65 -8.324 -3.957 -4.403 1.00 0.33 C ATOM 745 O ALA A 65 -8.553 -5.079 -3.947 1.00 0.38 O ATOM 746 CB ALA A 65 -6.135 -2.766 -4.152 1.00 0.31 C ATOM 0 H ALA A 65 -6.837 -2.014 -6.394 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.459 -4.567 -5.248 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.984 -3.279 -3.202 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.169 -2.582 -4.623 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.639 -1.816 -3.975 1.00 0.31 H new ATOM 752 N ASP A 66 -9.201 -2.960 -4.370 1.00 0.35 N ATOM 753 CA ASP A 66 -10.553 -3.121 -3.845 1.00 0.41 C ATOM 754 C ASP A 66 -11.309 -4.193 -4.631 1.00 0.40 C ATOM 755 O ASP A 66 -12.011 -5.027 -4.055 1.00 0.47 O ATOM 756 CB ASP A 66 -11.280 -1.765 -3.906 1.00 0.48 C ATOM 757 CG ASP A 66 -12.781 -1.842 -3.703 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.494 -2.271 -4.630 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.266 -1.424 -2.632 1.00 1.36 O ATOM 0 H ASP A 66 -8.996 -2.019 -4.706 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.508 -3.451 -2.807 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.857 -1.107 -3.147 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.081 -1.304 -4.874 1.00 0.48 H new ATOM 764 N ASP A 67 -11.132 -4.185 -5.947 1.00 0.36 N ATOM 765 CA ASP A 67 -11.802 -5.143 -6.820 1.00 0.38 C ATOM 766 C ASP A 67 -11.312 -6.568 -6.574 1.00 0.40 C ATOM 767 O ASP A 67 -12.117 -7.482 -6.395 1.00 0.48 O ATOM 768 CB ASP A 67 -11.588 -4.773 -8.289 1.00 0.42 C ATOM 769 CG ASP A 67 -12.302 -5.723 -9.229 1.00 0.95 C ATOM 770 OD1 ASP A 67 -11.643 -6.633 -9.780 1.00 1.66 O ATOM 771 OD2 ASP A 67 -13.527 -5.568 -9.419 1.00 1.68 O ATOM 0 H ASP A 67 -10.528 -3.523 -6.435 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.866 -5.103 -6.588 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.945 -3.758 -8.462 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.521 -4.778 -8.511 1.00 0.42 H new ATOM 776 N ILE A 68 -9.995 -6.753 -6.559 1.00 0.37 N ATOM 777 CA ILE A 68 -9.408 -8.076 -6.364 1.00 0.41 C ATOM 778 C ILE A 68 -9.819 -8.661 -5.017 1.00 0.41 C ATOM 779 O ILE A 68 -10.230 -9.819 -4.928 1.00 0.47 O ATOM 780 CB ILE A 68 -7.865 -8.031 -6.451 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.418 -7.558 -7.837 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.268 -9.400 -6.141 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.926 -7.318 -7.946 1.00 0.51 C ATOM 0 H ILE A 68 -9.314 -6.004 -6.680 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.785 -8.712 -7.165 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.503 -7.320 -5.708 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.713 -8.302 -8.578 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.944 -6.636 -8.084 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.181 -9.347 -6.208 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.555 -9.703 -5.134 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.640 -10.130 -6.859 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.684 -6.985 -8.955 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.627 -6.552 -7.230 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.392 -8.244 -7.731 1.00 0.51 H new ATOM 795 N ALA A 69 -9.729 -7.842 -3.978 1.00 0.39 N ATOM 796 CA ALA A 69 -10.034 -8.287 -2.628 1.00 0.43 C ATOM 797 C ALA A 69 -11.489 -8.705 -2.491 1.00 0.47 C ATOM 798 O ALA A 69 -11.787 -9.838 -2.135 1.00 0.53 O ATOM 799 CB ALA A 69 -9.716 -7.188 -1.629 1.00 0.46 C ATOM 0 H ALA A 69 -9.447 -6.864 -4.046 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.413 -9.158 -2.419 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.949 -7.533 -0.622 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.657 -6.936 -1.691 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.313 -6.305 -1.857 1.00 0.46 H new ATOM 805 N LYS A 70 -12.387 -7.794 -2.814 1.00 0.52 N ATOM 806 CA LYS A 70 -13.808 -7.981 -2.548 1.00 0.65 C ATOM 807 C LYS A 70 -14.466 -8.923 -3.530 1.00 0.63 C ATOM 808 O LYS A 70 -15.599 -9.354 -3.321 1.00 0.72 O ATOM 809 CB LYS A 70 -14.495 -6.637 -2.586 1.00 0.87 C ATOM 810 CG LYS A 70 -13.998 -5.692 -1.507 1.00 1.09 C ATOM 811 CD LYS A 70 -14.217 -4.240 -1.881 1.00 1.14 C ATOM 812 CE LYS A 70 -15.689 -3.887 -2.003 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.878 -2.445 -2.310 1.00 1.50 N ATOM 0 H LYS A 70 -12.159 -6.908 -3.265 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.905 -8.435 -1.562 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.337 -6.181 -3.563 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.569 -6.780 -2.471 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -14.513 -5.907 -0.571 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -12.936 -5.866 -1.334 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -13.754 -3.601 -1.129 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -13.717 -4.032 -2.827 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.145 -4.490 -2.788 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -16.202 -4.133 -1.073 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -16.346 -1.978 -1.507 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -14.952 -2.001 -2.477 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.468 -2.346 -3.161 1.00 1.50 H new ATOM 827 N LYS A 71 -13.776 -9.228 -4.605 1.00 0.62 N ATOM 828 CA LYS A 71 -14.263 -10.220 -5.535 1.00 0.76 C ATOM 829 C LYS A 71 -14.238 -11.585 -4.865 1.00 0.83 C ATOM 830 O LYS A 71 -15.132 -12.406 -5.067 1.00 1.03 O ATOM 831 CB LYS A 71 -13.408 -10.207 -6.811 1.00 0.84 C ATOM 832 CG LYS A 71 -13.841 -11.197 -7.884 1.00 1.26 C ATOM 833 CD LYS A 71 -13.023 -12.478 -7.829 1.00 1.71 C ATOM 834 CE LYS A 71 -13.415 -13.441 -8.938 1.00 2.27 C ATOM 835 NZ LYS A 71 -13.256 -12.836 -10.287 1.00 2.71 N ATOM 0 H LYS A 71 -12.882 -8.807 -4.856 1.00 0.62 H new ATOM 0 HA LYS A 71 -15.290 -9.992 -5.821 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -13.429 -9.203 -7.234 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -12.373 -10.417 -6.540 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -14.897 -11.434 -7.756 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.734 -10.738 -8.867 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.963 -12.237 -7.913 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -13.165 -12.959 -6.861 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -12.802 -14.340 -8.870 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -14.451 -13.750 -8.800 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -13.268 -13.586 -11.007 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -14.037 -12.173 -10.464 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.351 -12.325 -10.334 1.00 2.71 H new ATOM 917 N ALA A 77 -9.811 -7.766 4.182 1.00 0.55 N ATOM 918 CA ALA A 77 -8.806 -7.311 3.239 1.00 0.44 C ATOM 919 C ALA A 77 -8.033 -6.136 3.816 1.00 0.37 C ATOM 920 O ALA A 77 -8.586 -5.335 4.573 1.00 0.42 O ATOM 921 CB ALA A 77 -9.456 -6.927 1.920 1.00 0.71 C ATOM 0 HA ALA A 77 -8.106 -8.126 3.054 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.690 -6.588 1.222 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.970 -7.793 1.502 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.175 -6.125 2.088 1.00 0.71 H new ATOM 927 N LYS A 78 -6.757 -6.042 3.477 1.00 0.35 N ATOM 928 CA LYS A 78 -5.923 -4.948 3.951 1.00 0.37 C ATOM 929 C LYS A 78 -5.084 -4.396 2.811 1.00 0.33 C ATOM 930 O LYS A 78 -4.623 -5.147 1.948 1.00 0.37 O ATOM 931 CB LYS A 78 -5.006 -5.408 5.086 1.00 0.50 C ATOM 932 CG LYS A 78 -5.736 -6.000 6.278 1.00 0.63 C ATOM 933 CD LYS A 78 -4.779 -6.290 7.419 1.00 0.89 C ATOM 934 CE LYS A 78 -5.490 -6.947 8.587 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.622 -7.026 9.788 1.00 1.67 N ATOM 0 H LYS A 78 -6.276 -6.710 2.875 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.580 -4.165 4.331 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.309 -6.150 4.696 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.412 -4.559 5.424 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.508 -5.309 6.615 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.239 -6.920 5.979 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -3.978 -6.940 7.067 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.314 -5.361 7.750 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.392 -6.384 8.827 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.807 -7.950 8.302 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -5.144 -7.481 10.564 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -3.773 -7.585 9.567 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.340 -6.067 10.076 1.00 1.67 H new ATOM 949 N ILE A 79 -4.889 -3.088 2.807 1.00 0.29 N ATOM 950 CA ILE A 79 -4.111 -2.433 1.765 1.00 0.29 C ATOM 951 C ILE A 79 -3.083 -1.497 2.388 1.00 0.29 C ATOM 952 O ILE A 79 -3.440 -0.551 3.080 1.00 0.40 O ATOM 953 CB ILE A 79 -5.011 -1.621 0.806 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.104 -2.510 0.199 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.174 -0.981 -0.293 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.076 -1.762 -0.689 1.00 0.49 C ATOM 0 H ILE A 79 -5.260 -2.455 3.516 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.610 -3.215 1.194 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.495 -0.831 1.380 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.633 -3.304 -0.381 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.658 -2.990 1.005 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.822 -0.413 -0.960 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.437 -0.313 0.153 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.662 -1.759 -0.860 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.819 -2.456 -1.081 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.575 -0.986 -0.109 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.534 -1.304 -1.517 1.00 0.49 H new ATOM 968 N LEU A 80 -1.816 -1.772 2.156 1.00 0.23 N ATOM 969 CA LEU A 80 -0.746 -0.921 2.650 1.00 0.28 C ATOM 970 C LEU A 80 -0.330 0.066 1.570 1.00 0.30 C ATOM 971 O LEU A 80 0.211 -0.331 0.545 1.00 0.45 O ATOM 972 CB LEU A 80 0.461 -1.767 3.064 1.00 0.40 C ATOM 973 CG LEU A 80 1.655 -0.984 3.617 1.00 0.57 C ATOM 974 CD1 LEU A 80 1.348 -0.435 5.001 1.00 1.22 C ATOM 975 CD2 LEU A 80 2.893 -1.863 3.651 1.00 1.40 C ATOM 0 H LEU A 80 -1.498 -2.583 1.625 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.110 -0.375 3.520 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.138 -2.485 3.818 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.794 -2.341 2.200 1.00 0.40 H new ATOM 0 HG LEU A 80 1.848 -0.140 2.955 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.211 0.117 5.373 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.487 0.231 4.945 1.00 1.22 H new ATOM 0 HD13 LEU A 80 1.125 -1.259 5.678 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.733 -1.293 4.046 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.708 -2.727 4.289 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.127 -2.201 2.642 1.00 1.40 H new ATOM 987 N ILE A 81 -0.591 1.341 1.784 1.00 0.27 N ATOM 988 CA ILE A 81 -0.164 2.353 0.833 1.00 0.27 C ATOM 989 C ILE A 81 1.078 3.058 1.353 1.00 0.27 C ATOM 990 O ILE A 81 1.050 3.681 2.410 1.00 0.33 O ATOM 991 CB ILE A 81 -1.254 3.411 0.552 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.538 2.757 0.031 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.741 4.427 -0.457 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.689 3.728 -0.137 1.00 0.38 C ATOM 0 H ILE A 81 -1.091 1.700 2.598 1.00 0.27 H new ATOM 0 HA ILE A 81 0.045 1.834 -0.102 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.488 3.917 1.489 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.331 2.283 -0.928 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.838 1.967 0.719 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.515 5.170 -0.651 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.145 4.921 -0.058 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.485 3.919 -1.387 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.564 3.195 -0.509 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.924 4.184 0.825 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.409 4.505 -0.848 1.00 0.38 H new ATOM 1006 N LEU A 82 2.168 2.935 0.622 1.00 0.27 N ATOM 1007 CA LEU A 82 3.394 3.630 0.963 1.00 0.31 C ATOM 1008 C LEU A 82 3.553 4.853 0.075 1.00 0.34 C ATOM 1009 O LEU A 82 3.610 4.741 -1.144 1.00 0.59 O ATOM 1010 CB LEU A 82 4.596 2.700 0.807 1.00 0.43 C ATOM 1011 CG LEU A 82 4.545 1.432 1.659 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.787 0.592 1.437 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.394 1.779 3.131 1.00 1.08 C ATOM 0 H LEU A 82 2.230 2.357 -0.216 1.00 0.27 H new ATOM 0 HA LEU A 82 3.342 3.950 2.004 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.681 2.413 -0.241 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.500 3.254 1.060 1.00 0.43 H new ATOM 0 HG LEU A 82 3.675 0.850 1.353 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.733 -0.307 2.052 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.852 0.310 0.386 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.670 1.168 1.713 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.360 0.862 3.719 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.242 2.384 3.451 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.471 2.340 3.280 1.00 1.08 H new ATOM 1025 N LEU A 83 3.599 6.017 0.685 1.00 0.35 N ATOM 1026 CA LEU A 83 3.699 7.261 -0.056 1.00 0.42 C ATOM 1027 C LEU A 83 4.643 8.210 0.644 1.00 0.44 C ATOM 1028 O LEU A 83 4.633 8.305 1.869 1.00 0.55 O ATOM 1029 CB LEU A 83 2.325 7.934 -0.235 1.00 0.45 C ATOM 1030 CG LEU A 83 1.467 8.148 1.027 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.311 9.079 0.707 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.912 6.841 1.567 1.00 1.13 C ATOM 0 H LEU A 83 3.569 6.131 1.698 1.00 0.35 H new ATOM 0 HA LEU A 83 4.087 7.021 -1.046 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.485 8.906 -0.702 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.746 7.335 -0.938 1.00 0.45 H new ATOM 0 HG LEU A 83 2.112 8.585 1.790 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.294 9.229 1.601 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.700 10.039 0.367 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.304 8.639 -0.078 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.314 7.040 2.456 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.288 6.369 0.808 1.00 1.13 H new ATOM 0 HD23 LEU A 83 1.735 6.175 1.825 1.00 1.13 H new ATOM 1044 N GLU A 84 5.473 8.906 -0.117 1.00 0.43 N ATOM 1045 CA GLU A 84 6.362 9.867 0.497 1.00 0.45 C ATOM 1046 C GLU A 84 5.651 11.207 0.625 1.00 0.47 C ATOM 1047 O GLU A 84 5.570 11.983 -0.330 1.00 0.54 O ATOM 1048 CB GLU A 84 7.629 10.020 -0.349 1.00 0.55 C ATOM 1049 CG GLU A 84 8.663 10.955 0.255 1.00 1.29 C ATOM 1050 CD GLU A 84 9.814 11.235 -0.687 1.00 1.47 C ATOM 1051 OE1 GLU A 84 10.790 10.457 -0.696 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.751 12.243 -1.424 1.00 2.04 O ATOM 0 H GLU A 84 5.547 8.825 -1.131 1.00 0.43 H new ATOM 0 HA GLU A 84 6.645 9.516 1.490 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.080 9.038 -0.491 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.352 10.389 -1.337 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.183 11.895 0.526 1.00 1.29 H new ATOM 0 HG3 GLU A 84 9.050 10.518 1.175 1.00 1.29 H new ATOM 1059 N LYS A 85 5.130 11.443 1.816 1.00 0.45 N ATOM 1060 CA LYS A 85 4.625 12.743 2.235 1.00 0.56 C ATOM 1061 C LYS A 85 4.198 12.635 3.692 1.00 0.53 C ATOM 1062 O LYS A 85 4.018 11.524 4.189 1.00 0.53 O ATOM 1063 CB LYS A 85 3.439 13.193 1.368 1.00 0.74 C ATOM 1064 CG LYS A 85 2.171 12.376 1.569 1.00 1.00 C ATOM 1065 CD LYS A 85 1.036 12.874 0.685 1.00 0.91 C ATOM 1066 CE LYS A 85 0.674 14.325 0.981 1.00 1.66 C ATOM 1067 NZ LYS A 85 0.136 14.507 2.356 1.00 2.02 N ATOM 0 H LYS A 85 5.043 10.724 2.534 1.00 0.45 H new ATOM 0 HA LYS A 85 5.410 13.490 2.118 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.222 14.239 1.585 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.730 13.139 0.319 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.374 11.328 1.346 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.867 12.426 2.615 1.00 1.00 H new ATOM 0 HD2 LYS A 85 1.324 12.779 -0.362 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.159 12.244 0.833 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.558 14.950 0.854 1.00 1.66 H new ATOM 0 HE3 LYS A 85 -0.065 14.667 0.257 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -0.142 15.500 2.491 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.693 13.894 2.488 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 0.867 14.255 3.051 1.00 2.02 H new ATOM 1081 N PRO A 86 4.044 13.753 4.408 1.00 0.60 N ATOM 1082 CA PRO A 86 3.377 13.736 5.709 1.00 0.62 C ATOM 1083 C PRO A 86 1.923 13.307 5.539 1.00 0.61 C ATOM 1084 O PRO A 86 1.161 13.957 4.820 1.00 0.68 O ATOM 1085 CB PRO A 86 3.464 15.192 6.186 1.00 0.74 C ATOM 1086 CG PRO A 86 4.555 15.801 5.372 1.00 0.85 C ATOM 1087 CD PRO A 86 4.525 15.094 4.048 1.00 0.74 C ATOM 0 HA PRO A 86 3.828 13.040 6.416 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.519 15.714 6.034 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.690 15.245 7.251 1.00 0.74 H new ATOM 0 HG2 PRO A 86 4.397 16.872 5.246 1.00 0.85 H new ATOM 0 HG3 PRO A 86 5.522 15.676 5.859 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.858 15.587 3.341 1.00 0.74 H new ATOM 0 HD3 PRO A 86 5.511 15.060 3.585 1.00 0.74 H new ATOM 1095 N VAL A 87 1.539 12.206 6.168 1.00 0.59 N ATOM 1096 CA VAL A 87 0.208 11.652 5.958 1.00 0.62 C ATOM 1097 C VAL A 87 -0.745 12.044 7.076 1.00 0.62 C ATOM 1098 O VAL A 87 -0.363 12.116 8.248 1.00 0.66 O ATOM 1099 CB VAL A 87 0.228 10.109 5.819 1.00 0.69 C ATOM 1100 CG1 VAL A 87 1.028 9.691 4.597 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.778 9.446 7.072 1.00 0.88 C ATOM 0 H VAL A 87 2.122 11.683 6.821 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.148 12.077 5.020 1.00 0.62 H new ATOM 0 HB VAL A 87 -0.801 9.774 5.690 1.00 0.69 H new ATOM 0 HG11 VAL A 87 1.030 8.604 4.518 1.00 1.17 H new ATOM 0 HG12 VAL A 87 0.576 10.119 3.702 1.00 1.17 H new ATOM 0 HG13 VAL A 87 2.053 10.049 4.693 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.778 8.364 6.941 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.797 9.790 7.248 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.154 9.708 7.926 1.00 0.88 H new ATOM 1111 N SER A 88 -1.981 12.317 6.698 1.00 0.69 N ATOM 1112 CA SER A 88 -3.021 12.658 7.647 1.00 0.76 C ATOM 1113 C SER A 88 -3.818 11.403 8.012 1.00 0.72 C ATOM 1114 O SER A 88 -4.286 10.681 7.132 1.00 0.69 O ATOM 1115 CB SER A 88 -3.944 13.706 7.024 1.00 0.92 C ATOM 1116 OG SER A 88 -3.199 14.757 6.420 1.00 1.44 O ATOM 0 H SER A 88 -2.290 12.308 5.726 1.00 0.69 H new ATOM 0 HA SER A 88 -2.574 13.065 8.554 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.582 13.234 6.277 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.601 14.117 7.791 1.00 0.92 H new ATOM 0 HG SER A 88 -3.815 15.411 6.029 1.00 1.44 H new ATOM 1122 N PRO A 89 -3.962 11.119 9.322 1.00 0.78 N ATOM 1123 CA PRO A 89 -4.692 9.940 9.814 1.00 0.79 C ATOM 1124 C PRO A 89 -6.144 9.903 9.343 1.00 0.67 C ATOM 1125 O PRO A 89 -6.717 8.827 9.161 1.00 0.65 O ATOM 1126 CB PRO A 89 -4.623 10.072 11.341 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.245 11.490 11.599 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.407 11.914 10.429 1.00 0.92 C ATOM 0 HA PRO A 89 -4.253 9.016 9.437 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -5.582 9.831 11.800 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -3.887 9.387 11.762 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.130 12.119 11.693 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.688 11.582 12.531 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.490 12.984 10.239 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.350 11.700 10.590 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.734 11.078 9.146 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.094 11.173 8.623 1.00 0.72 C ATOM 1138 C GLU A 90 -8.123 10.778 7.151 1.00 0.64 C ATOM 1139 O GLU A 90 -9.069 10.145 6.682 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.638 12.594 8.789 1.00 0.87 C ATOM 1141 CG GLU A 90 -8.900 12.990 10.234 1.00 1.24 C ATOM 1142 CD GLU A 90 -9.975 12.146 10.875 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -9.636 11.224 11.644 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.167 12.395 10.607 1.00 2.37 O ATOM 0 H GLU A 90 -6.293 11.977 9.340 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.725 10.488 9.189 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.928 13.297 8.353 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.566 12.686 8.224 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -7.978 12.896 10.807 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.194 14.039 10.273 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.065 11.138 6.435 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.958 10.837 5.014 1.00 0.62 C ATOM 1153 C TYR A 91 -6.829 9.332 4.804 1.00 0.52 C ATOM 1154 O TYR A 91 -7.250 8.798 3.781 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.761 11.576 4.406 1.00 0.72 C ATOM 1156 CG TYR A 91 -5.677 11.482 2.898 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -6.604 12.130 2.093 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -4.669 10.751 2.282 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -6.531 12.053 0.716 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -4.589 10.669 0.905 1.00 3.00 C ATOM 1161 CZ TYR A 91 -5.522 11.321 0.127 1.00 2.89 C ATOM 1162 OH TYR A 91 -5.447 11.239 -1.246 1.00 3.78 O ATOM 0 H TYR A 91 -6.265 11.642 6.818 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.863 11.177 4.510 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.813 12.627 4.691 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.843 11.174 4.836 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -7.396 12.704 2.551 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.937 10.239 2.889 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -7.260 12.563 0.104 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -3.799 10.097 0.440 1.00 3.00 H new ATOM 0 HH TYR A 91 -4.678 10.687 -1.499 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.259 8.653 5.793 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.142 7.205 5.763 1.00 0.42 C ATOM 1174 C GLU A 92 -7.528 6.556 5.792 1.00 0.42 C ATOM 1175 O GLU A 92 -7.782 5.571 5.095 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.296 6.733 6.947 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.163 5.228 7.040 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.279 4.790 8.187 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.052 4.668 7.986 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -4.803 4.574 9.299 1.00 1.14 O ATOM 0 H GLU A 92 -5.869 9.088 6.629 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.650 6.905 4.838 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.302 7.172 6.869 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.739 7.107 7.870 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.152 4.787 7.160 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.754 4.845 6.105 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.432 7.136 6.574 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.797 6.645 6.669 1.00 0.54 C ATOM 1189 C LYS A 93 -10.540 6.982 5.389 1.00 0.53 C ATOM 1190 O LYS A 93 -11.400 6.233 4.939 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.519 7.266 7.869 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.849 6.991 9.208 1.00 1.51 C ATOM 1193 CD LYS A 93 -9.908 5.517 9.601 1.00 2.25 C ATOM 1194 CE LYS A 93 -11.229 5.137 10.270 1.00 2.80 C ATOM 1195 NZ LYS A 93 -12.377 5.103 9.323 1.00 3.25 N ATOM 0 H LYS A 93 -8.239 7.953 7.154 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.773 5.564 6.809 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.584 8.344 7.722 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.540 6.886 7.901 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -8.808 7.310 9.161 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -10.331 7.589 9.981 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -9.766 4.902 8.712 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -9.084 5.293 10.279 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -11.123 4.158 10.738 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -11.444 5.850 11.066 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -13.164 4.574 9.750 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -12.685 6.075 9.116 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -12.085 4.637 8.440 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.181 8.120 4.811 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.732 8.557 3.538 1.00 0.59 C ATOM 1211 C LYS A 94 -10.300 7.601 2.428 1.00 0.52 C ATOM 1212 O LYS A 94 -11.048 7.348 1.486 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.251 9.981 3.237 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.911 10.634 2.033 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.333 12.020 1.786 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.999 12.721 0.612 1.00 1.97 C ATOM 1217 NZ LYS A 94 -12.429 13.029 0.881 1.00 2.44 N ATOM 0 H LYS A 94 -9.500 8.765 5.212 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.821 8.554 3.591 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -10.430 10.603 4.114 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.173 9.959 3.076 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -10.765 10.011 1.150 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -11.986 10.707 2.197 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -10.452 12.626 2.684 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.263 11.937 1.597 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.465 13.645 0.392 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -10.925 12.091 -0.275 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -12.806 13.623 0.115 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -12.971 12.143 0.931 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -12.511 13.536 1.785 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.092 7.061 2.561 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.555 6.131 1.578 1.00 0.45 C ATOM 1233 C LEU A 95 -9.183 4.750 1.710 1.00 0.39 C ATOM 1234 O LEU A 95 -9.535 4.135 0.702 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.033 6.051 1.685 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.294 7.304 1.205 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.802 7.177 1.445 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.571 7.557 -0.270 1.00 1.12 C ATOM 0 H LEU A 95 -8.466 7.254 3.343 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.810 6.512 0.589 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.764 5.862 2.724 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.685 5.196 1.106 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.663 8.154 1.780 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.299 8.079 1.096 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.615 7.047 2.511 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.418 6.314 0.901 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.037 8.451 -0.592 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.233 6.702 -0.856 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.641 7.699 -0.420 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.350 4.249 2.937 1.00 0.37 N ATOM 1251 CA GLN A 96 -10.059 2.985 3.109 1.00 0.40 C ATOM 1252 C GLN A 96 -11.559 3.201 2.973 1.00 0.45 C ATOM 1253 O GLN A 96 -12.346 2.258 3.048 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.704 2.250 4.426 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.758 3.072 5.707 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.069 2.951 6.477 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.092 3.121 7.695 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.155 2.626 5.799 1.00 2.20 N ATOM 0 H GLN A 96 -9.016 4.684 3.797 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.723 2.323 2.311 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -10.382 1.404 4.536 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -8.698 1.841 4.327 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -8.939 2.764 6.357 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.591 4.120 5.459 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -12.105 2.492 4.789 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.044 2.509 6.285 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.957 4.454 2.816 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.331 4.763 2.456 1.00 0.64 C ATOM 1269 C LYS A 97 -13.534 4.586 0.950 1.00 0.65 C ATOM 1270 O LYS A 97 -14.634 4.274 0.496 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.707 6.180 2.887 1.00 0.78 C ATOM 1272 CG LYS A 97 -15.187 6.487 2.728 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.555 7.830 3.333 1.00 1.95 C ATOM 1274 CE LYS A 97 -14.881 8.980 2.606 1.00 2.39 C ATOM 1275 NZ LYS A 97 -15.282 10.297 3.166 1.00 2.87 N ATOM 0 H LYS A 97 -11.353 5.268 2.931 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.987 4.069 2.982 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.424 6.321 3.930 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.130 6.895 2.301 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.447 6.482 1.669 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.774 5.701 3.204 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -16.636 7.961 3.296 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.267 7.846 4.384 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -13.799 8.870 2.675 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -15.138 8.942 1.547 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -14.801 11.057 2.644 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.312 10.413 3.077 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -15.014 10.344 4.170 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.466 4.784 0.176 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.526 4.592 -1.272 1.00 0.68 C ATOM 1291 C TYR A 98 -12.530 3.108 -1.608 1.00 0.64 C ATOM 1292 O TYR A 98 -13.378 2.627 -2.360 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.335 5.254 -1.972 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.325 6.765 -1.922 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.489 7.500 -2.107 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.138 7.456 -1.715 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.469 8.882 -2.085 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.111 8.836 -1.687 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.279 9.544 -1.875 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.254 10.920 -1.859 1.00 3.64 O ATOM 0 H TYR A 98 -11.554 5.076 0.526 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.447 5.057 -1.625 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.415 4.884 -1.519 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -11.325 4.940 -3.016 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -13.424 6.984 -2.270 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.220 6.904 -1.574 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -13.382 9.440 -2.232 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.181 9.358 -1.519 1.00 2.50 H new ATOM 0 HH TYR A 98 -12.147 11.261 -1.644 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.574 2.390 -1.045 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.481 0.953 -1.228 1.00 0.56 C ATOM 1312 C ALA A 99 -11.857 0.258 0.055 1.00 0.52 C ATOM 1313 O ALA A 99 -11.358 0.613 1.119 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.075 0.553 -1.632 1.00 0.59 C ATOM 0 H ALA A 99 -10.844 2.784 -0.451 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.166 0.657 -2.022 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.028 -0.528 -1.764 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.812 1.045 -2.569 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.373 0.855 -0.854 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.721 -0.734 -0.032 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.153 -1.403 1.175 1.00 0.53 C ATOM 1322 C ASP A 100 -12.138 -2.450 1.563 1.00 0.47 C ATOM 1323 O ASP A 100 -12.100 -3.561 1.032 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.539 -2.030 1.016 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.637 -0.994 0.993 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.030 -0.519 2.077 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.116 -0.648 -0.108 1.00 1.73 O ATOM 0 H ASP A 100 -13.127 -1.086 -0.899 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.229 -0.658 1.967 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.570 -2.609 0.093 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.717 -2.726 1.836 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.330 -2.043 2.509 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.314 -2.855 3.134 1.00 0.39 C ATOM 1334 C ALA A 101 -9.742 -2.031 4.253 1.00 0.37 C ATOM 1335 O ALA A 101 -10.091 -0.858 4.385 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.232 -3.234 2.131 1.00 0.43 C ATOM 0 H ALA A 101 -11.363 -1.094 2.882 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.733 -3.789 3.510 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.477 -3.846 2.624 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.677 -3.798 1.311 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -8.767 -2.330 1.739 1.00 0.43 H new ATOM 1342 N GLU A 102 -8.881 -2.601 5.059 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.211 -1.794 6.043 1.00 0.31 C ATOM 1344 C GLU A 102 -6.963 -1.207 5.418 1.00 0.29 C ATOM 1345 O GLU A 102 -5.896 -1.829 5.415 1.00 0.36 O ATOM 1346 CB GLU A 102 -7.861 -2.572 7.299 1.00 0.41 C ATOM 1347 CG GLU A 102 -8.897 -3.608 7.713 1.00 0.76 C ATOM 1348 CD GLU A 102 -8.666 -4.117 9.119 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -7.731 -4.915 9.324 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.421 -3.716 10.031 1.00 1.77 O ATOM 0 H GLU A 102 -8.634 -3.591 5.055 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.891 -1.002 6.355 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -6.906 -3.074 7.145 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.722 -1.868 8.120 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -9.893 -3.170 7.646 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -8.869 -4.446 7.016 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.114 -0.026 4.849 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.016 0.639 4.183 1.00 0.32 C ATOM 1359 C VAL A 103 -5.136 1.336 5.207 1.00 0.32 C ATOM 1360 O VAL A 103 -5.575 2.250 5.903 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.512 1.664 3.140 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -5.359 2.262 2.377 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -7.474 1.033 2.160 1.00 1.05 C ATOM 0 H VAL A 103 -7.992 0.493 4.836 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.440 -0.122 3.656 1.00 0.32 H new ATOM 0 HB VAL A 103 -7.029 2.450 3.691 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -5.737 2.980 1.650 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -4.687 2.768 3.070 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -4.817 1.471 1.858 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -7.803 1.782 1.440 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -6.976 0.219 1.634 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -8.338 0.642 2.698 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.911 0.863 5.313 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.938 1.424 6.227 1.00 0.37 C ATOM 1375 C ARG A 104 -1.887 2.159 5.420 1.00 0.33 C ATOM 1376 O ARG A 104 -1.116 1.546 4.684 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.300 0.313 7.061 1.00 0.46 C ATOM 1378 CG ARG A 104 -3.321 -0.527 7.812 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.676 -1.699 8.531 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.757 -1.266 9.582 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.890 -1.587 10.869 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -2.930 -2.302 11.282 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -0.985 -1.179 11.747 1.00 2.71 N ATOM 0 H ARG A 104 -3.561 0.076 4.766 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.424 2.120 6.911 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.715 -0.334 6.407 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.606 0.756 7.775 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -3.844 0.099 8.535 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -4.070 -0.899 7.112 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -3.453 -2.327 8.967 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -2.137 -2.313 7.810 1.00 1.26 H new ATOM 0 HE ARG A 104 -0.965 -0.682 9.314 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -3.635 -2.610 10.613 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -3.024 -2.543 12.269 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -0.189 -0.621 11.437 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -1.084 -1.423 12.732 1.00 2.71 H new ATOM 1397 N VAL A 105 -1.875 3.471 5.527 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.026 4.279 4.676 1.00 0.31 C ATOM 1399 C VAL A 105 0.166 4.821 5.463 1.00 0.31 C ATOM 1400 O VAL A 105 0.014 5.406 6.538 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.845 5.407 4.001 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.111 4.820 3.372 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.204 6.516 4.981 1.00 0.71 C ATOM 0 H VAL A 105 -2.441 3.999 6.191 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.626 3.652 3.879 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.224 5.853 3.224 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.685 5.616 2.898 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.835 4.077 2.624 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.716 4.348 4.146 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.778 7.286 4.465 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.800 6.103 5.795 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.291 6.954 5.385 1.00 0.71 H new ATOM 1413 N ARG A 106 1.361 4.573 4.946 1.00 0.31 N ATOM 1414 CA ARG A 106 2.588 4.933 5.639 1.00 0.35 C ATOM 1415 C ARG A 106 3.476 5.795 4.759 1.00 0.29 C ATOM 1416 O ARG A 106 3.484 5.651 3.536 1.00 0.31 O ATOM 1417 CB ARG A 106 3.364 3.679 6.067 1.00 0.46 C ATOM 1418 CG ARG A 106 2.647 2.819 7.097 1.00 0.79 C ATOM 1419 CD ARG A 106 2.176 3.653 8.276 1.00 0.87 C ATOM 1420 NE ARG A 106 1.418 2.873 9.252 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.112 3.033 9.475 1.00 1.70 C ATOM 1422 NH1 ARG A 106 -0.598 3.860 8.717 1.00 1.88 N ATOM 1423 NH2 ARG A 106 -0.486 2.357 10.444 1.00 2.63 N ATOM 0 H ARG A 106 1.506 4.121 4.043 1.00 0.31 H new ATOM 0 HA ARG A 106 2.307 5.500 6.526 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.568 3.073 5.184 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.328 3.984 6.474 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.793 2.326 6.632 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.316 2.033 7.448 1.00 0.79 H new ATOM 0 HD2 ARG A 106 3.040 4.101 8.767 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.556 4.472 7.912 1.00 0.87 H new ATOM 0 HE ARG A 106 1.915 2.166 9.794 1.00 1.30 H new ATOM 0 HH11 ARG A 106 -0.145 4.375 7.962 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -1.596 3.980 8.890 1.00 1.88 H new ATOM 0 HH21 ARG A 106 0.052 1.712 11.023 1.00 2.63 H new ATOM 0 HH22 ARG A 106 -1.484 2.482 10.612 1.00 2.63 H new ATOM 1437 N THR A 107 4.217 6.688 5.391 1.00 0.34 N ATOM 1438 CA THR A 107 5.143 7.542 4.679 1.00 0.36 C ATOM 1439 C THR A 107 6.489 6.837 4.513 1.00 0.40 C ATOM 1440 O THR A 107 6.988 6.187 5.441 1.00 0.56 O ATOM 1441 CB THR A 107 5.324 8.902 5.397 1.00 0.50 C ATOM 1442 OG1 THR A 107 6.113 9.790 4.595 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.978 8.733 6.762 1.00 0.64 C ATOM 0 H THR A 107 4.193 6.839 6.400 1.00 0.34 H new ATOM 0 HA THR A 107 4.726 7.744 3.692 1.00 0.36 H new ATOM 0 HB THR A 107 4.331 9.327 5.543 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.595 10.598 4.395 1.00 0.56 H new ATOM 0 HG21 THR A 107 6.089 9.708 7.236 1.00 0.64 H new ATOM 0 HG22 THR A 107 5.354 8.094 7.388 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.960 8.275 6.641 1.00 0.64 H new ATOM 1451 N VAL A 108 7.057 6.939 3.322 1.00 0.44 N ATOM 1452 CA VAL A 108 8.327 6.297 3.026 1.00 0.60 C ATOM 1453 C VAL A 108 9.330 7.301 2.457 1.00 0.68 C ATOM 1454 O VAL A 108 9.184 7.782 1.334 1.00 0.86 O ATOM 1455 CB VAL A 108 8.141 5.104 2.051 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.321 5.503 0.830 1.00 1.34 C ATOM 1457 CG2 VAL A 108 9.486 4.536 1.629 1.00 0.97 C ATOM 0 H VAL A 108 6.657 7.462 2.543 1.00 0.44 H new ATOM 0 HA VAL A 108 8.724 5.909 3.964 1.00 0.60 H new ATOM 0 HB VAL A 108 7.590 4.329 2.583 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.211 4.643 0.169 1.00 1.34 H new ATOM 0 HG12 VAL A 108 6.336 5.844 1.149 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.829 6.307 0.298 1.00 1.34 H new ATOM 0 HG21 VAL A 108 9.330 3.701 0.946 1.00 0.97 H new ATOM 0 HG22 VAL A 108 10.067 5.311 1.129 1.00 0.97 H new ATOM 0 HG23 VAL A 108 10.027 4.188 2.509 1.00 0.97 H new ATOM 1467 N THR A 109 10.337 7.628 3.249 1.00 0.68 N ATOM 1468 CA THR A 109 11.366 8.563 2.826 1.00 0.78 C ATOM 1469 C THR A 109 12.629 7.834 2.373 1.00 0.71 C ATOM 1470 O THR A 109 13.473 8.399 1.672 1.00 0.88 O ATOM 1471 CB THR A 109 11.715 9.532 3.967 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.960 8.792 5.170 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.587 10.527 4.197 1.00 1.11 C ATOM 0 H THR A 109 10.464 7.259 4.191 1.00 0.68 H new ATOM 0 HA THR A 109 10.969 9.125 1.981 1.00 0.78 H new ATOM 0 HB THR A 109 12.611 10.086 3.688 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.184 9.412 5.895 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.857 11.202 5.009 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.419 11.103 3.287 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.676 9.990 4.460 1.00 1.11 H new ATOM 1481 N SER A 110 12.750 6.572 2.765 1.00 0.59 N ATOM 1482 CA SER A 110 13.934 5.788 2.453 1.00 0.54 C ATOM 1483 C SER A 110 13.550 4.368 2.039 1.00 0.49 C ATOM 1484 O SER A 110 12.512 3.865 2.469 1.00 0.51 O ATOM 1485 CB SER A 110 14.860 5.733 3.670 1.00 0.62 C ATOM 1486 OG SER A 110 15.051 7.020 4.234 1.00 0.93 O ATOM 0 H SER A 110 12.041 6.071 3.300 1.00 0.59 H new ATOM 0 HA SER A 110 14.452 6.267 1.622 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.438 5.064 4.420 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.824 5.316 3.377 1.00 0.62 H new ATOM 0 HG SER A 110 15.646 6.952 5.010 1.00 0.93 H new ATOM 1492 N PRO A 111 14.364 3.709 1.198 1.00 0.49 N ATOM 1493 CA PRO A 111 14.126 2.315 0.794 1.00 0.49 C ATOM 1494 C PRO A 111 13.854 1.399 1.990 1.00 0.45 C ATOM 1495 O PRO A 111 12.922 0.591 1.973 1.00 0.50 O ATOM 1496 CB PRO A 111 15.431 1.923 0.107 1.00 0.58 C ATOM 1497 CG PRO A 111 15.979 3.201 -0.422 1.00 0.60 C ATOM 1498 CD PRO A 111 15.565 4.273 0.549 1.00 0.54 C ATOM 0 HA PRO A 111 13.246 2.218 0.159 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.123 1.456 0.808 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.256 1.205 -0.695 1.00 0.58 H new ATOM 0 HG2 PRO A 111 17.065 3.152 -0.508 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.589 3.408 -1.419 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.351 4.483 1.274 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.343 5.211 0.040 1.00 0.54 H new ATOM 1506 N ASP A 112 14.666 1.552 3.035 1.00 0.47 N ATOM 1507 CA ASP A 112 14.526 0.759 4.257 1.00 0.49 C ATOM 1508 C ASP A 112 13.156 0.951 4.899 1.00 0.43 C ATOM 1509 O ASP A 112 12.550 -0.011 5.368 1.00 0.45 O ATOM 1510 CB ASP A 112 15.618 1.136 5.260 1.00 0.60 C ATOM 1511 CG ASP A 112 15.373 0.542 6.633 1.00 1.16 C ATOM 1512 OD1 ASP A 112 15.588 -0.673 6.807 1.00 1.71 O ATOM 1513 OD2 ASP A 112 14.963 1.289 7.544 1.00 2.04 O ATOM 0 H ASP A 112 15.434 2.223 3.060 1.00 0.47 H new ATOM 0 HA ASP A 112 14.628 -0.290 3.980 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.584 0.795 4.887 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.673 2.222 5.342 1.00 0.60 H new ATOM 1518 N GLU A 113 12.671 2.189 4.895 1.00 0.43 N ATOM 1519 CA GLU A 113 11.390 2.522 5.514 1.00 0.45 C ATOM 1520 C GLU A 113 10.267 1.657 4.960 1.00 0.37 C ATOM 1521 O GLU A 113 9.447 1.133 5.713 1.00 0.40 O ATOM 1522 CB GLU A 113 11.065 4.000 5.293 1.00 0.57 C ATOM 1523 CG GLU A 113 11.965 4.945 6.068 1.00 0.78 C ATOM 1524 CD GLU A 113 11.762 4.838 7.563 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.664 4.318 8.253 1.00 2.21 O ATOM 1526 OE2 GLU A 113 10.694 5.264 8.055 1.00 2.13 O ATOM 0 H GLU A 113 13.148 2.983 4.468 1.00 0.43 H new ATOM 0 HA GLU A 113 11.475 2.327 6.583 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.146 4.226 4.230 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.029 4.182 5.580 1.00 0.57 H new ATOM 0 HG2 GLU A 113 13.006 4.729 5.829 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.771 5.969 5.750 1.00 0.78 H new ATOM 1533 N ALA A 114 10.246 1.495 3.642 1.00 0.37 N ATOM 1534 CA ALA A 114 9.232 0.677 2.992 1.00 0.39 C ATOM 1535 C ALA A 114 9.306 -0.761 3.478 1.00 0.36 C ATOM 1536 O ALA A 114 8.284 -1.377 3.776 1.00 0.38 O ATOM 1537 CB ALA A 114 9.395 0.726 1.484 1.00 0.48 C ATOM 0 H ALA A 114 10.919 1.919 3.004 1.00 0.37 H new ATOM 0 HA ALA A 114 8.254 1.081 3.253 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.629 0.109 1.015 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.293 1.755 1.140 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.381 0.349 1.212 1.00 0.48 H new ATOM 1543 N LYS A 115 10.525 -1.279 3.583 1.00 0.38 N ATOM 1544 CA LYS A 115 10.736 -2.654 4.011 1.00 0.45 C ATOM 1545 C LYS A 115 10.212 -2.865 5.428 1.00 0.39 C ATOM 1546 O LYS A 115 9.753 -3.953 5.771 1.00 0.44 O ATOM 1547 CB LYS A 115 12.221 -3.028 3.933 1.00 0.57 C ATOM 1548 CG LYS A 115 12.813 -2.909 2.533 1.00 0.75 C ATOM 1549 CD LYS A 115 13.893 -3.956 2.283 1.00 0.77 C ATOM 1550 CE LYS A 115 15.091 -3.785 3.204 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.920 -2.610 2.832 1.00 1.53 N ATOM 0 H LYS A 115 11.382 -0.765 3.377 1.00 0.38 H new ATOM 0 HA LYS A 115 10.181 -3.305 3.335 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.784 -2.386 4.611 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.347 -4.052 4.285 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.021 -3.020 1.793 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.235 -1.913 2.400 1.00 0.75 H new ATOM 0 HD2 LYS A 115 13.470 -4.951 2.423 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.223 -3.893 1.246 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.745 -3.673 4.231 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.704 -4.686 3.171 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.565 -2.379 3.614 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.474 -2.832 1.980 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 15.302 -1.796 2.641 1.00 1.53 H new ATOM 1565 N ARG A 116 10.265 -1.811 6.235 1.00 0.36 N ATOM 1566 CA ARG A 116 9.779 -1.870 7.609 1.00 0.39 C ATOM 1567 C ARG A 116 8.262 -2.011 7.637 1.00 0.35 C ATOM 1568 O ARG A 116 7.726 -2.939 8.243 1.00 0.42 O ATOM 1569 CB ARG A 116 10.189 -0.611 8.378 1.00 0.50 C ATOM 1570 CG ARG A 116 11.680 -0.332 8.354 1.00 1.14 C ATOM 1571 CD ARG A 116 12.474 -1.428 9.041 1.00 1.65 C ATOM 1572 NE ARG A 116 13.910 -1.173 8.977 1.00 2.40 N ATOM 1573 CZ ARG A 116 14.797 -1.656 9.840 1.00 3.29 C ATOM 1574 NH1 ARG A 116 14.407 -2.430 10.845 1.00 3.61 N ATOM 1575 NH2 ARG A 116 16.082 -1.366 9.686 1.00 4.21 N ATOM 0 H ARG A 116 10.641 -0.903 5.961 1.00 0.36 H new ATOM 0 HA ARG A 116 10.226 -2.742 8.086 1.00 0.39 H new ATOM 0 HB2 ARG A 116 9.662 0.246 7.958 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.865 -0.709 9.414 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.014 -0.235 7.321 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.879 0.621 8.844 1.00 1.14 H new ATOM 0 HD2 ARG A 116 12.164 -1.504 10.083 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.253 -2.387 8.572 1.00 1.65 H new ATOM 0 HE ARG A 116 14.255 -0.585 8.219 1.00 2.40 H new ATOM 0 HH11 ARG A 116 13.419 -2.658 10.959 1.00 3.61 H new ATOM 0 HH12 ARG A 116 15.095 -2.797 11.503 1.00 3.61 H new ATOM 0 HH21 ARG A 116 16.382 -0.776 8.910 1.00 4.21 H new ATOM 0 HH22 ARG A 116 16.770 -1.733 10.344 1.00 4.21 H new ATOM 1589 N TRP A 117 7.574 -1.090 6.965 1.00 0.31 N ATOM 1590 CA TRP A 117 6.120 -1.075 6.964 1.00 0.32 C ATOM 1591 C TRP A 117 5.552 -2.331 6.317 1.00 0.30 C ATOM 1592 O TRP A 117 4.537 -2.859 6.767 1.00 0.36 O ATOM 1593 CB TRP A 117 5.603 0.171 6.248 1.00 0.36 C ATOM 1594 CG TRP A 117 6.092 1.449 6.857 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.790 2.440 6.229 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.928 1.873 8.217 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.069 3.452 7.113 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.548 3.129 8.338 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.316 1.314 9.343 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.575 3.835 9.536 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.340 2.017 10.532 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.966 3.265 10.621 1.00 0.99 C ATOM 0 H TRP A 117 8.004 -0.346 6.415 1.00 0.31 H new ATOM 0 HA TRP A 117 5.785 -1.053 8.001 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.909 0.134 5.202 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.513 0.164 6.262 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.080 2.429 5.189 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.581 4.306 6.893 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.833 0.350 9.284 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.059 4.798 9.607 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.868 1.596 11.407 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.969 3.789 11.565 1.00 0.99 H new ATOM 1613 N ILE A 118 6.212 -2.814 5.269 1.00 0.29 N ATOM 1614 CA ILE A 118 5.779 -4.034 4.596 1.00 0.32 C ATOM 1615 C ILE A 118 5.962 -5.243 5.511 1.00 0.36 C ATOM 1616 O ILE A 118 5.089 -6.109 5.597 1.00 0.40 O ATOM 1617 CB ILE A 118 6.541 -4.254 3.271 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.221 -3.124 2.288 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.185 -5.605 2.664 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.989 -3.211 0.988 1.00 0.57 C ATOM 0 H ILE A 118 7.045 -2.382 4.869 1.00 0.29 H new ATOM 0 HA ILE A 118 4.721 -3.920 4.361 1.00 0.32 H new ATOM 0 HB ILE A 118 7.611 -4.246 3.479 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.153 -3.136 2.070 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.438 -2.168 2.764 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.732 -5.740 1.731 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.453 -6.399 3.361 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.114 -5.644 2.465 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.709 -2.378 0.344 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.059 -3.168 1.194 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.753 -4.151 0.488 1.00 0.57 H new ATOM 1632 N LYS A 119 7.089 -5.280 6.213 1.00 0.41 N ATOM 1633 CA LYS A 119 7.371 -6.357 7.153 1.00 0.53 C ATOM 1634 C LYS A 119 6.309 -6.386 8.248 1.00 0.55 C ATOM 1635 O LYS A 119 5.767 -7.441 8.576 1.00 0.67 O ATOM 1636 CB LYS A 119 8.760 -6.169 7.772 1.00 0.63 C ATOM 1637 CG LYS A 119 9.230 -7.328 8.646 1.00 1.09 C ATOM 1638 CD LYS A 119 9.458 -8.601 7.838 1.00 1.34 C ATOM 1639 CE LYS A 119 8.236 -9.510 7.835 1.00 2.05 C ATOM 1640 NZ LYS A 119 7.971 -10.085 9.179 1.00 2.66 N ATOM 0 H LYS A 119 7.823 -4.575 6.148 1.00 0.41 H new ATOM 0 HA LYS A 119 7.352 -7.306 6.617 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.483 -6.020 6.970 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.756 -5.258 8.371 1.00 0.63 H new ATOM 0 HG2 LYS A 119 10.155 -7.049 9.150 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.489 -7.520 9.422 1.00 1.09 H new ATOM 0 HD2 LYS A 119 9.714 -8.337 6.812 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.310 -9.142 8.250 1.00 1.34 H new ATOM 0 HE2 LYS A 119 7.364 -8.946 7.503 1.00 2.05 H new ATOM 0 HE3 LYS A 119 8.385 -10.317 7.118 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 7.293 -10.869 9.094 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 8.860 -10.439 9.587 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 7.574 -9.350 9.799 1.00 2.66 H new ATOM 1654 N GLU A 120 6.012 -5.211 8.793 1.00 0.51 N ATOM 1655 CA GLU A 120 4.979 -5.057 9.812 1.00 0.63 C ATOM 1656 C GLU A 120 3.616 -5.476 9.263 1.00 0.60 C ATOM 1657 O GLU A 120 2.865 -6.198 9.912 1.00 0.79 O ATOM 1658 CB GLU A 120 4.923 -3.596 10.268 1.00 0.71 C ATOM 1659 CG GLU A 120 3.892 -3.320 11.350 1.00 1.43 C ATOM 1660 CD GLU A 120 4.303 -3.861 12.703 1.00 1.83 C ATOM 1661 OE1 GLU A 120 3.944 -5.010 13.029 1.00 2.48 O ATOM 1662 OE2 GLU A 120 4.987 -3.132 13.452 1.00 2.33 O ATOM 0 H GLU A 120 6.479 -4.340 8.542 1.00 0.51 H new ATOM 0 HA GLU A 120 5.225 -5.697 10.659 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.907 -3.304 10.636 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.706 -2.966 9.405 1.00 0.71 H new ATOM 0 HG2 GLU A 120 3.732 -2.245 11.427 1.00 1.43 H new ATOM 0 HG3 GLU A 120 2.940 -3.764 11.060 1.00 1.43 H new ATOM 1669 N PHE A 121 3.321 -5.022 8.051 1.00 0.44 N ATOM 1670 CA PHE A 121 2.033 -5.270 7.412 1.00 0.43 C ATOM 1671 C PHE A 121 1.792 -6.762 7.204 1.00 0.46 C ATOM 1672 O PHE A 121 0.674 -7.247 7.364 1.00 0.54 O ATOM 1673 CB PHE A 121 1.982 -4.534 6.073 1.00 0.38 C ATOM 1674 CG PHE A 121 0.653 -4.596 5.382 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.461 -3.990 5.939 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.522 -5.247 4.167 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.681 -4.032 5.296 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.696 -5.294 3.520 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.798 -4.686 4.085 1.00 0.67 C ATOM 0 H PHE A 121 3.966 -4.472 7.484 1.00 0.44 H new ATOM 0 HA PHE A 121 1.245 -4.898 8.067 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.244 -3.489 6.237 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.741 -4.953 5.413 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.374 -3.479 6.887 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.383 -5.723 3.721 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.543 -3.555 5.739 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.786 -5.806 2.573 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.752 -4.721 3.580 1.00 0.67 H new ATOM 1689 N SER A 122 2.849 -7.484 6.862 1.00 0.44 N ATOM 1690 CA SER A 122 2.751 -8.918 6.627 1.00 0.50 C ATOM 1691 C SER A 122 2.487 -9.670 7.933 1.00 0.58 C ATOM 1692 O SER A 122 1.989 -10.796 7.923 1.00 0.80 O ATOM 1693 CB SER A 122 4.038 -9.427 5.967 1.00 0.57 C ATOM 1694 OG SER A 122 3.941 -10.798 5.611 1.00 1.31 O ATOM 0 H SER A 122 3.786 -7.100 6.741 1.00 0.44 H new ATOM 0 HA SER A 122 1.911 -9.102 5.958 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.249 -8.834 5.077 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.876 -9.287 6.649 1.00 0.57 H new ATOM 0 HG SER A 122 4.778 -11.087 5.192 1.00 1.31 H new ATOM 1700 N GLU A 123 2.807 -9.040 9.058 1.00 0.63 N ATOM 1701 CA GLU A 123 2.616 -9.661 10.361 1.00 0.81 C ATOM 1702 C GLU A 123 1.310 -9.198 10.992 1.00 0.92 C ATOM 1703 O GLU A 123 0.913 -9.688 12.049 1.00 1.44 O ATOM 1704 CB GLU A 123 3.777 -9.322 11.295 1.00 1.25 C ATOM 1705 CG GLU A 123 5.138 -9.714 10.752 1.00 1.57 C ATOM 1706 CD GLU A 123 5.222 -11.177 10.374 1.00 1.91 C ATOM 1707 OE1 GLU A 123 4.991 -12.036 11.249 1.00 2.53 O ATOM 1708 OE2 GLU A 123 5.554 -11.473 9.207 1.00 2.37 O ATOM 0 H GLU A 123 3.200 -8.099 9.093 1.00 0.63 H new ATOM 0 HA GLU A 123 2.578 -10.740 10.213 1.00 0.81 H new ATOM 0 HB2 GLU A 123 3.771 -8.250 11.492 1.00 1.25 H new ATOM 0 HB3 GLU A 123 3.620 -9.823 12.250 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.364 -9.104 9.877 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.899 -9.493 11.500 1.00 1.57 H new