USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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 110 THR OG1 : rot -3:sc= 1.07 USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= -0.215 F(o=-0.44,f=1) USER MOD Set 2.2: A 81 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 21 MET CE :methyl 164:sc= -0.0808 (180deg=-0.455) USER MOD Single : A 29 SER OG : rot -72:sc= 0.0335 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0293 (180deg=-0.287) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= -0.053 (180deg=-0.257) USER MOD Single : A 40 LYS NZ :NH3+ -115:sc= 0.347 (180deg=0.146) USER MOD Single : A 41 MET CE :methyl -173:sc= 0 (180deg=-0.089) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc=-0.00995 (180deg=-0.158) USER MOD Single : A 46 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.073) USER MOD Single : A 51 THR OG1 : rot 130:sc= -0.124 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.779 F(o=-1.5,f=-0.78) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.0259 (180deg=-0.244) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 83 SER OG : rot 38:sc= 0.155 USER MOD Single : A 89 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0873) USER MOD Single : A 90 THR OG1 : rot -94:sc= 1.29 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.046 (180deg=-0.291) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.616) USER MOD Single : A 101 LYS NZ :NH3+ 168:sc=-0.00988 (180deg=-0.141) USER MOD Single : A 103 ASN : amide:sc= 0.477 K(o=0.48,f=-6.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.23) USER MOD Single : A 120 LYS NZ :NH3+ 166:sc= -0.0197 (180deg=-0.163) USER MOD Single : A 123 SER OG : rot 54:sc= -1.31! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.760 -16.393 0.601 1.00 1.82 N ATOM 2 CA MET A 21 4.919 -15.329 1.193 1.00 1.48 C ATOM 3 C MET A 21 4.738 -14.189 0.196 1.00 1.22 C ATOM 4 O MET A 21 5.707 -13.717 -0.398 1.00 1.47 O ATOM 5 CB MET A 21 5.565 -14.807 2.482 1.00 1.86 C ATOM 6 CG MET A 21 4.747 -13.741 3.195 1.00 1.95 C ATOM 7 SD MET A 21 3.127 -14.329 3.723 1.00 2.87 S ATOM 8 CE MET A 21 3.589 -15.607 4.891 1.00 3.09 C ATOM 0 HA MET A 21 3.940 -15.744 1.433 1.00 1.48 H new ATOM 0 HB2 MET A 21 5.724 -15.644 3.162 1.00 1.86 H new ATOM 0 HB3 MET A 21 6.547 -14.399 2.245 1.00 1.86 H new ATOM 0 HG2 MET A 21 5.300 -13.388 4.065 1.00 1.95 H new ATOM 0 HG3 MET A 21 4.618 -12.886 2.531 1.00 1.95 H new ATOM 0 HE1 MET A 21 2.727 -15.866 5.506 1.00 3.09 H new ATOM 0 HE2 MET A 21 3.927 -16.490 4.349 1.00 3.09 H new ATOM 0 HE3 MET A 21 4.394 -15.243 5.529 1.00 3.09 H new ATOM 17 N ARG A 22 3.501 -13.761 -0.005 1.00 0.88 N ATOM 18 CA ARG A 22 3.221 -12.675 -0.932 1.00 0.73 C ATOM 19 C ARG A 22 3.012 -11.365 -0.194 1.00 0.55 C ATOM 20 O ARG A 22 1.958 -11.136 0.392 1.00 0.56 O ATOM 21 CB ARG A 22 1.992 -12.989 -1.787 1.00 0.86 C ATOM 22 CG ARG A 22 2.237 -14.014 -2.884 1.00 1.33 C ATOM 23 CD ARG A 22 3.204 -13.495 -3.941 1.00 1.33 C ATOM 24 NE ARG A 22 4.585 -13.445 -3.459 1.00 1.91 N ATOM 25 CZ ARG A 22 5.498 -12.566 -3.881 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.186 -11.652 -4.791 1.00 2.62 N ATOM 27 NH2 ARG A 22 6.728 -12.601 -3.387 1.00 3.31 N ATOM 0 H ARG A 22 2.679 -14.147 0.459 1.00 0.88 H new ATOM 0 HA ARG A 22 4.088 -12.572 -1.585 1.00 0.73 H new ATOM 0 HB2 ARG A 22 1.196 -13.353 -1.138 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.635 -12.065 -2.242 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.636 -14.928 -2.444 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.289 -14.275 -3.356 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.153 -14.135 -4.822 1.00 1.33 H new ATOM 0 HD3 ARG A 22 2.895 -12.498 -4.253 1.00 1.33 H new ATOM 0 HE ARG A 22 4.869 -14.126 -2.755 1.00 1.91 H new ATOM 0 HH11 ARG A 22 4.242 -11.616 -5.175 1.00 2.62 H new ATOM 0 HH12 ARG A 22 5.890 -10.985 -5.107 1.00 2.62 H new ATOM 0 HH21 ARG A 22 6.976 -13.299 -2.686 1.00 3.31 H new ATOM 0 HH22 ARG A 22 7.426 -11.930 -3.709 1.00 3.31 H new ATOM 41 N LEU A 23 4.023 -10.513 -0.215 1.00 0.51 N ATOM 42 CA LEU A 23 3.901 -9.187 0.366 1.00 0.43 C ATOM 43 C LEU A 23 3.657 -8.171 -0.735 1.00 0.37 C ATOM 44 O LEU A 23 4.525 -7.931 -1.577 1.00 0.40 O ATOM 45 CB LEU A 23 5.146 -8.805 1.166 1.00 0.58 C ATOM 46 CG LEU A 23 5.455 -9.701 2.367 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.268 -10.910 1.937 1.00 1.76 C ATOM 48 CD2 LEU A 23 6.187 -8.917 3.441 1.00 1.55 C ATOM 0 H LEU A 23 4.934 -10.715 -0.627 1.00 0.51 H new ATOM 0 HA LEU A 23 3.056 -9.195 1.055 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.005 -8.816 0.496 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.030 -7.780 1.519 1.00 0.58 H new ATOM 0 HG LEU A 23 4.512 -10.055 2.784 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.478 -11.535 2.805 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.704 -11.486 1.203 1.00 1.76 H new ATOM 0 HD13 LEU A 23 7.207 -10.578 1.494 1.00 1.76 H new ATOM 0 HD21 LEU A 23 6.399 -9.570 4.288 1.00 1.55 H new ATOM 0 HD22 LEU A 23 7.123 -8.532 3.036 1.00 1.55 H new ATOM 0 HD23 LEU A 23 5.565 -8.085 3.771 1.00 1.55 H new ATOM 60 N VAL A 24 2.472 -7.592 -0.728 1.00 0.35 N ATOM 61 CA VAL A 24 2.062 -6.662 -1.762 1.00 0.37 C ATOM 62 C VAL A 24 1.831 -5.284 -1.166 1.00 0.38 C ATOM 63 O VAL A 24 1.237 -5.158 -0.101 1.00 0.42 O ATOM 64 CB VAL A 24 0.767 -7.141 -2.455 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.369 -6.195 -3.578 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.931 -8.560 -2.982 1.00 0.45 C ATOM 0 H VAL A 24 1.768 -7.752 -0.007 1.00 0.35 H new ATOM 0 HA VAL A 24 2.860 -6.612 -2.503 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.032 -7.141 -1.713 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.546 -6.555 -4.050 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.200 -5.198 -3.171 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.167 -6.154 -4.319 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.007 -8.877 -3.466 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.747 -8.588 -3.704 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.156 -9.232 -2.154 1.00 0.45 H new ATOM 76 N VAL A 25 2.320 -4.257 -1.834 1.00 0.39 N ATOM 77 CA VAL A 25 2.095 -2.891 -1.394 1.00 0.41 C ATOM 78 C VAL A 25 1.635 -2.037 -2.565 1.00 0.39 C ATOM 79 O VAL A 25 2.349 -1.907 -3.552 1.00 0.42 O ATOM 80 CB VAL A 25 3.372 -2.260 -0.789 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.079 -0.870 -0.242 1.00 0.51 C ATOM 82 CG2 VAL A 25 3.959 -3.147 0.300 1.00 0.52 C ATOM 0 H VAL A 25 2.877 -4.341 -2.685 1.00 0.39 H new ATOM 0 HA VAL A 25 1.327 -2.924 -0.621 1.00 0.41 H new ATOM 0 HB VAL A 25 4.109 -2.170 -1.587 1.00 0.46 H new ATOM 0 HG11 VAL A 25 3.990 -0.445 0.179 1.00 0.51 H new ATOM 0 HG12 VAL A 25 2.718 -0.230 -1.048 1.00 0.51 H new ATOM 0 HG13 VAL A 25 2.318 -0.938 0.535 1.00 0.51 H new ATOM 0 HG21 VAL A 25 4.855 -2.679 0.707 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.226 -3.280 1.096 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.217 -4.118 -0.122 1.00 0.52 H new ATOM 92 N LEU A 26 0.446 -1.467 -2.467 1.00 0.40 N ATOM 93 CA LEU A 26 -0.008 -0.522 -3.476 1.00 0.38 C ATOM 94 C LEU A 26 0.069 0.880 -2.903 1.00 0.37 C ATOM 95 O LEU A 26 -0.610 1.208 -1.928 1.00 0.48 O ATOM 96 CB LEU A 26 -1.431 -0.819 -3.971 1.00 0.46 C ATOM 97 CG LEU A 26 -1.616 -2.143 -4.718 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.986 -3.265 -3.761 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.674 -1.992 -5.797 1.00 1.33 C ATOM 0 H LEU A 26 -0.216 -1.638 -1.710 1.00 0.40 H new ATOM 0 HA LEU A 26 0.645 -0.617 -4.344 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -2.103 -0.811 -3.113 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.744 -0.007 -4.627 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.668 -2.405 -5.189 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.111 -4.193 -4.319 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -1.194 -3.390 -3.023 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.919 -3.018 -3.254 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.797 -2.940 -6.321 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.621 -1.705 -5.340 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.365 -1.223 -6.505 1.00 1.33 H new ATOM 111 N ILE A 27 0.916 1.696 -3.497 1.00 0.33 N ATOM 112 CA ILE A 27 1.194 3.012 -2.960 1.00 0.36 C ATOM 113 C ILE A 27 0.437 4.075 -3.768 1.00 0.39 C ATOM 114 O ILE A 27 0.481 4.094 -5.004 1.00 0.40 O ATOM 115 CB ILE A 27 2.740 3.276 -2.937 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.177 4.107 -1.717 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.236 3.932 -4.213 1.00 1.32 C ATOM 118 CD1 ILE A 27 2.449 5.422 -1.540 1.00 1.36 C ATOM 0 H ILE A 27 1.424 1.471 -4.352 1.00 0.33 H new ATOM 0 HA ILE A 27 0.843 3.068 -1.930 1.00 0.36 H new ATOM 0 HB ILE A 27 3.200 2.291 -2.860 1.00 0.44 H new ATOM 0 HG12 ILE A 27 3.034 3.507 -0.818 1.00 0.93 H new ATOM 0 HG13 ILE A 27 4.245 4.309 -1.799 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.312 4.093 -4.145 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.019 3.285 -5.063 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.734 4.890 -4.348 1.00 1.32 H new ATOM 0 HD11 ILE A 27 2.828 5.932 -0.654 1.00 1.36 H new ATOM 0 HD12 ILE A 27 2.612 6.049 -2.417 1.00 1.36 H new ATOM 0 HD13 ILE A 27 1.382 5.234 -1.421 1.00 1.36 H new ATOM 130 N VAL A 28 -0.325 4.902 -3.069 1.00 0.48 N ATOM 131 CA VAL A 28 -0.938 6.069 -3.679 1.00 0.56 C ATOM 132 C VAL A 28 -0.023 7.251 -3.422 1.00 0.86 C ATOM 133 O VAL A 28 -0.054 7.856 -2.350 1.00 1.37 O ATOM 134 CB VAL A 28 -2.340 6.355 -3.095 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.012 7.503 -3.835 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.206 5.107 -3.141 1.00 1.17 C ATOM 0 H VAL A 28 -0.533 4.785 -2.077 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.068 5.891 -4.747 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.219 6.649 -2.052 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.997 7.685 -3.406 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.403 8.402 -3.741 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.117 7.245 -4.889 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.188 5.330 -2.725 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.316 4.778 -4.174 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.736 4.316 -2.556 1.00 1.17 H new ATOM 146 N SER A 29 0.796 7.575 -4.403 1.00 0.85 N ATOM 147 CA SER A 29 1.917 8.457 -4.167 1.00 1.25 C ATOM 148 C SER A 29 1.811 9.759 -4.936 1.00 0.83 C ATOM 149 O SER A 29 1.358 9.800 -6.081 1.00 1.53 O ATOM 150 CB SER A 29 3.217 7.748 -4.545 1.00 2.38 C ATOM 151 OG SER A 29 4.350 8.527 -4.196 1.00 3.23 O ATOM 0 H SER A 29 0.706 7.243 -5.363 1.00 0.85 H new ATOM 0 HA SER A 29 1.911 8.706 -3.106 1.00 1.25 H new ATOM 0 HB2 SER A 29 3.267 6.783 -4.041 1.00 2.38 H new ATOM 0 HB3 SER A 29 3.226 7.548 -5.617 1.00 2.38 H new ATOM 0 HG SER A 29 4.421 9.292 -4.804 1.00 3.23 H new ATOM 157 N ASN A 30 2.232 10.816 -4.266 1.00 1.19 N ATOM 158 CA ASN A 30 2.517 12.090 -4.898 1.00 1.67 C ATOM 159 C ASN A 30 3.883 11.994 -5.572 1.00 1.19 C ATOM 160 O ASN A 30 4.403 10.885 -5.696 1.00 1.38 O ATOM 161 CB ASN A 30 2.496 13.228 -3.868 1.00 2.93 C ATOM 162 CG ASN A 30 3.482 13.019 -2.734 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.023 12.405 -1.655 1.00 4.32 O flip ATOM 164 ND2 ASN A 30 4.642 13.417 -2.821 1.00 4.58 N flip ATOM 0 H ASN A 30 2.387 10.814 -3.258 1.00 1.19 H new ATOM 0 HA ASN A 30 1.752 12.313 -5.641 1.00 1.67 H new ATOM 0 HB2 ASN A 30 2.722 14.169 -4.370 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.491 13.319 -3.456 1.00 2.93 H new ATOM 0 HD21 ASN A 30 4.958 13.886 -3.670 1.00 4.58 H new ATOM 0 HD22 ASN A 30 5.288 13.278 -2.044 1.00 4.58 H new ATOM 171 N ASP A 31 4.401 13.142 -6.032 1.00 1.45 N ATOM 172 CA ASP A 31 5.727 13.279 -6.690 1.00 1.18 C ATOM 173 C ASP A 31 6.588 12.008 -6.646 1.00 0.94 C ATOM 174 O ASP A 31 6.889 11.474 -5.573 1.00 1.28 O ATOM 175 CB ASP A 31 6.503 14.429 -6.043 1.00 1.61 C ATOM 176 CG ASP A 31 7.725 14.846 -6.841 1.00 1.74 C ATOM 177 OD1 ASP A 31 8.557 13.983 -7.177 1.00 2.03 O ATOM 178 OD2 ASP A 31 7.870 16.055 -7.120 1.00 2.29 O ATOM 0 H ASP A 31 3.903 14.029 -5.959 1.00 1.45 H new ATOM 0 HA ASP A 31 5.520 13.477 -7.742 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.841 15.287 -5.929 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.814 14.131 -5.042 1.00 1.61 H new ATOM 183 N LYS A 32 7.039 11.584 -7.828 1.00 0.79 N ATOM 184 CA LYS A 32 7.710 10.295 -8.016 1.00 0.82 C ATOM 185 C LYS A 32 8.969 10.129 -7.156 1.00 0.66 C ATOM 186 O LYS A 32 9.478 9.015 -7.022 1.00 0.68 O ATOM 187 CB LYS A 32 8.058 10.096 -9.493 1.00 1.24 C ATOM 188 CG LYS A 32 6.846 10.139 -10.409 1.00 1.77 C ATOM 189 CD LYS A 32 7.215 9.811 -11.845 1.00 2.22 C ATOM 190 CE LYS A 32 5.998 9.858 -12.758 1.00 3.17 C ATOM 191 NZ LYS A 32 4.922 8.937 -12.304 1.00 3.77 N ATOM 0 H LYS A 32 6.949 12.127 -8.686 1.00 0.79 H new ATOM 0 HA LYS A 32 7.006 9.530 -7.687 1.00 0.82 H new ATOM 0 HB2 LYS A 32 8.764 10.868 -9.800 1.00 1.24 H new ATOM 0 HB3 LYS A 32 8.562 9.137 -9.614 1.00 1.24 H new ATOM 0 HG2 LYS A 32 6.097 9.431 -10.055 1.00 1.77 H new ATOM 0 HG3 LYS A 32 6.393 11.130 -10.367 1.00 1.77 H new ATOM 0 HD2 LYS A 32 7.965 10.518 -12.200 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.666 8.820 -11.889 1.00 2.22 H new ATOM 0 HE2 LYS A 32 5.611 10.877 -12.794 1.00 3.17 H new ATOM 0 HE3 LYS A 32 6.296 9.594 -13.773 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 4.222 8.819 -13.064 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 5.334 8.012 -12.066 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 4.456 9.335 -11.463 1.00 3.77 H new ATOM 205 N LYS A 33 9.467 11.219 -6.575 1.00 0.71 N ATOM 206 CA LYS A 33 10.596 11.145 -5.646 1.00 0.75 C ATOM 207 C LYS A 33 10.277 10.194 -4.497 1.00 0.68 C ATOM 208 O LYS A 33 11.163 9.523 -3.961 1.00 0.78 O ATOM 209 CB LYS A 33 10.922 12.532 -5.085 1.00 0.95 C ATOM 210 CG LYS A 33 11.334 13.542 -6.140 1.00 1.45 C ATOM 211 CD LYS A 33 11.350 14.956 -5.581 1.00 1.86 C ATOM 212 CE LYS A 33 11.595 15.985 -6.672 1.00 2.71 C ATOM 213 NZ LYS A 33 10.579 15.902 -7.756 1.00 3.23 N ATOM 0 H LYS A 33 9.109 12.161 -6.730 1.00 0.71 H new ATOM 0 HA LYS A 33 11.461 10.770 -6.193 1.00 0.75 H new ATOM 0 HB2 LYS A 33 10.050 12.912 -4.554 1.00 0.95 H new ATOM 0 HB3 LYS A 33 11.725 12.438 -4.354 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.323 13.289 -6.521 1.00 1.45 H new ATOM 0 HG3 LYS A 33 10.645 13.491 -6.983 1.00 1.45 H new ATOM 0 HD2 LYS A 33 10.400 15.165 -5.090 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.127 15.039 -4.821 1.00 1.86 H new ATOM 0 HE2 LYS A 33 11.580 16.984 -6.237 1.00 2.71 H new ATOM 0 HE3 LYS A 33 12.589 15.836 -7.094 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 10.831 16.562 -8.519 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 10.551 14.933 -8.132 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 9.644 16.153 -7.376 1.00 3.23 H new ATOM 227 N LEU A 34 9.004 10.140 -4.130 1.00 0.61 N ATOM 228 CA LEU A 34 8.552 9.267 -3.060 1.00 0.64 C ATOM 229 C LEU A 34 8.471 7.825 -3.549 1.00 0.53 C ATOM 230 O LEU A 34 8.927 6.901 -2.868 1.00 0.62 O ATOM 231 CB LEU A 34 7.184 9.720 -2.557 1.00 0.70 C ATOM 232 CG LEU A 34 6.656 8.957 -1.344 1.00 0.82 C ATOM 233 CD1 LEU A 34 7.447 9.315 -0.104 1.00 1.39 C ATOM 234 CD2 LEU A 34 5.183 9.244 -1.137 1.00 1.38 C ATOM 0 H LEU A 34 8.264 10.694 -4.561 1.00 0.61 H new ATOM 0 HA LEU A 34 9.270 9.321 -2.242 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.239 10.779 -2.305 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.464 9.622 -3.370 1.00 0.70 H new ATOM 0 HG LEU A 34 6.776 7.890 -1.530 1.00 0.82 H new ATOM 0 HD11 LEU A 34 7.056 8.761 0.750 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.495 9.057 -0.254 1.00 1.39 H new ATOM 0 HD13 LEU A 34 7.360 10.385 0.087 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.823 8.692 -0.269 1.00 1.38 H new ATOM 0 HD22 LEU A 34 5.040 10.312 -0.973 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.624 8.935 -2.020 1.00 1.38 H new ATOM 246 N ILE A 35 7.898 7.651 -4.739 1.00 0.43 N ATOM 247 CA ILE A 35 7.734 6.331 -5.345 1.00 0.43 C ATOM 248 C ILE A 35 9.077 5.620 -5.447 1.00 0.46 C ATOM 249 O ILE A 35 9.197 4.450 -5.085 1.00 0.52 O ATOM 250 CB ILE A 35 7.129 6.429 -6.763 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.816 7.211 -6.737 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.909 5.039 -7.347 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.220 7.444 -8.110 1.00 0.97 C ATOM 0 H ILE A 35 7.536 8.417 -5.307 1.00 0.43 H new ATOM 0 HA ILE A 35 7.056 5.769 -4.703 1.00 0.43 H new ATOM 0 HB ILE A 35 7.834 6.964 -7.399 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.094 6.672 -6.124 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.986 8.174 -6.256 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.482 5.127 -8.346 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.862 4.514 -7.405 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.225 4.480 -6.708 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.290 8.005 -8.013 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.923 8.010 -8.721 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.017 6.485 -8.586 1.00 0.97 H new ATOM 265 N GLU A 36 10.081 6.345 -5.937 1.00 0.51 N ATOM 266 CA GLU A 36 11.422 5.800 -6.108 1.00 0.62 C ATOM 267 C GLU A 36 11.931 5.162 -4.823 1.00 0.63 C ATOM 268 O GLU A 36 12.164 3.957 -4.776 1.00 0.64 O ATOM 269 CB GLU A 36 12.390 6.900 -6.547 1.00 0.79 C ATOM 270 CG GLU A 36 12.148 7.408 -7.958 1.00 0.87 C ATOM 271 CD GLU A 36 12.429 6.353 -9.006 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.612 5.991 -9.185 1.00 2.22 O ATOM 273 OE2 GLU A 36 11.473 5.889 -9.664 1.00 2.42 O ATOM 0 H GLU A 36 9.987 7.319 -6.224 1.00 0.51 H new ATOM 0 HA GLU A 36 11.368 5.030 -6.878 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.313 7.736 -5.852 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.410 6.521 -6.478 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.114 7.741 -8.049 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.780 8.277 -8.142 1.00 0.87 H new ATOM 280 N GLU A 37 12.069 5.977 -3.782 1.00 0.68 N ATOM 281 CA GLU A 37 12.639 5.532 -2.511 1.00 0.77 C ATOM 282 C GLU A 37 11.876 4.334 -1.947 1.00 0.71 C ATOM 283 O GLU A 37 12.477 3.371 -1.465 1.00 0.79 O ATOM 284 CB GLU A 37 12.614 6.688 -1.505 1.00 0.91 C ATOM 285 CG GLU A 37 13.306 6.385 -0.184 1.00 1.41 C ATOM 286 CD GLU A 37 14.789 6.128 -0.348 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.288 5.124 0.199 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.464 6.925 -1.034 1.00 2.53 O ATOM 0 H GLU A 37 11.792 6.958 -3.793 1.00 0.68 H new ATOM 0 HA GLU A 37 13.668 5.220 -2.689 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.088 7.559 -1.958 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.577 6.957 -1.305 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.160 7.222 0.499 1.00 1.41 H new ATOM 0 HG3 GLU A 37 12.839 5.514 0.275 1.00 1.41 H new ATOM 295 N ALA A 38 10.553 4.394 -2.029 1.00 0.61 N ATOM 296 CA ALA A 38 9.706 3.335 -1.504 1.00 0.60 C ATOM 297 C ALA A 38 9.866 2.049 -2.313 1.00 0.54 C ATOM 298 O ALA A 38 10.004 0.960 -1.751 1.00 0.59 O ATOM 299 CB ALA A 38 8.251 3.783 -1.498 1.00 0.60 C ATOM 0 H ALA A 38 10.044 5.168 -2.456 1.00 0.61 H new ATOM 0 HA ALA A 38 10.016 3.126 -0.480 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.625 2.983 -1.103 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.146 4.669 -0.871 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.939 4.019 -2.515 1.00 0.60 H new ATOM 305 N ARG A 39 9.871 2.184 -3.633 1.00 0.49 N ATOM 306 CA ARG A 39 9.935 1.032 -4.524 1.00 0.53 C ATOM 307 C ARG A 39 11.324 0.394 -4.491 1.00 0.56 C ATOM 308 O ARG A 39 11.460 -0.822 -4.640 1.00 0.59 O ATOM 309 CB ARG A 39 9.572 1.450 -5.950 1.00 0.60 C ATOM 310 CG ARG A 39 9.323 0.281 -6.885 1.00 0.88 C ATOM 311 CD ARG A 39 8.826 0.748 -8.243 1.00 0.95 C ATOM 312 NE ARG A 39 8.425 -0.375 -9.084 1.00 1.37 N ATOM 313 CZ ARG A 39 7.546 -0.292 -10.081 1.00 1.97 C ATOM 314 NH1 ARG A 39 6.998 0.875 -10.406 1.00 2.23 N ATOM 315 NH2 ARG A 39 7.223 -1.382 -10.762 1.00 2.73 N ATOM 0 H ARG A 39 9.831 3.084 -4.112 1.00 0.49 H new ATOM 0 HA ARG A 39 9.215 0.290 -4.180 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.680 2.076 -5.920 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.377 2.063 -6.355 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.244 -0.288 -7.010 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.590 -0.392 -6.440 1.00 0.88 H new ATOM 0 HD2 ARG A 39 7.981 1.423 -8.109 1.00 0.95 H new ATOM 0 HD3 ARG A 39 9.611 1.315 -8.743 1.00 0.95 H new ATOM 0 HE ARG A 39 8.846 -1.285 -8.896 1.00 1.37 H new ATOM 0 HH11 ARG A 39 7.250 1.718 -9.890 1.00 2.23 H new ATOM 0 HH12 ARG A 39 6.326 0.927 -11.171 1.00 2.23 H new ATOM 0 HH21 ARG A 39 7.647 -2.278 -10.521 1.00 2.73 H new ATOM 0 HH22 ARG A 39 6.550 -1.325 -11.527 1.00 2.73 H new ATOM 329 N LYS A 40 12.344 1.224 -4.283 1.00 0.59 N ATOM 330 CA LYS A 40 13.724 0.753 -4.186 1.00 0.67 C ATOM 331 C LYS A 40 13.868 -0.296 -3.091 1.00 0.65 C ATOM 332 O LYS A 40 14.409 -1.378 -3.321 1.00 0.71 O ATOM 333 CB LYS A 40 14.670 1.923 -3.896 1.00 0.78 C ATOM 334 CG LYS A 40 14.874 2.869 -5.070 1.00 0.83 C ATOM 335 CD LYS A 40 15.554 2.183 -6.245 1.00 1.29 C ATOM 336 CE LYS A 40 15.780 3.150 -7.396 1.00 1.82 C ATOM 337 NZ LYS A 40 14.501 3.631 -7.980 1.00 2.52 N ATOM 0 H LYS A 40 12.239 2.233 -4.178 1.00 0.59 H new ATOM 0 HA LYS A 40 13.988 0.302 -5.142 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.279 2.490 -3.051 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.638 1.525 -3.592 1.00 0.78 H new ATOM 0 HG2 LYS A 40 13.909 3.263 -5.389 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.476 3.720 -4.750 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.509 1.768 -5.923 1.00 1.29 H new ATOM 0 HD3 LYS A 40 14.942 1.347 -6.584 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.361 4.003 -7.044 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.370 2.660 -8.170 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 14.418 3.293 -8.960 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 13.705 3.267 -7.419 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 14.484 4.671 -7.970 1.00 2.52 H new ATOM 351 N MET A 41 13.371 0.025 -1.905 1.00 0.64 N ATOM 352 CA MET A 41 13.484 -0.879 -0.771 1.00 0.68 C ATOM 353 C MET A 41 12.521 -2.049 -0.900 1.00 0.63 C ATOM 354 O MET A 41 12.825 -3.160 -0.468 1.00 0.67 O ATOM 355 CB MET A 41 13.249 -0.137 0.545 1.00 0.82 C ATOM 356 CG MET A 41 14.483 0.595 1.042 1.00 0.99 C ATOM 357 SD MET A 41 15.838 -0.535 1.421 1.00 1.64 S ATOM 358 CE MET A 41 17.163 0.618 1.767 1.00 2.61 C ATOM 0 H MET A 41 12.888 0.901 -1.704 1.00 0.64 H new ATOM 0 HA MET A 41 14.499 -1.275 -0.767 1.00 0.68 H new ATOM 0 HB2 MET A 41 12.438 0.579 0.412 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.925 -0.849 1.304 1.00 0.82 H new ATOM 0 HG2 MET A 41 14.809 1.310 0.286 1.00 0.99 H new ATOM 0 HG3 MET A 41 14.229 1.168 1.934 1.00 0.99 H new ATOM 0 HE1 MET A 41 18.097 0.071 1.896 1.00 2.61 H new ATOM 0 HE2 MET A 41 17.263 1.317 0.937 1.00 2.61 H new ATOM 0 HE3 MET A 41 16.937 1.169 2.680 1.00 2.61 H new ATOM 368 N ALA A 42 11.369 -1.800 -1.508 1.00 0.60 N ATOM 369 CA ALA A 42 10.378 -2.846 -1.717 1.00 0.64 C ATOM 370 C ALA A 42 10.937 -3.956 -2.601 1.00 0.61 C ATOM 371 O ALA A 42 10.852 -5.134 -2.260 1.00 0.66 O ATOM 372 CB ALA A 42 9.114 -2.267 -2.327 1.00 0.75 C ATOM 0 H ALA A 42 11.098 -0.884 -1.865 1.00 0.60 H new ATOM 0 HA ALA A 42 10.130 -3.277 -0.747 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.384 -3.063 -2.476 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.698 -1.515 -1.657 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.351 -1.807 -3.287 1.00 0.75 H new ATOM 378 N GLU A 43 11.522 -3.576 -3.729 1.00 0.62 N ATOM 379 CA GLU A 43 12.105 -4.546 -4.644 1.00 0.75 C ATOM 380 C GLU A 43 13.316 -5.218 -4.003 1.00 0.71 C ATOM 381 O GLU A 43 13.539 -6.418 -4.172 1.00 0.79 O ATOM 382 CB GLU A 43 12.511 -3.866 -5.954 1.00 0.93 C ATOM 383 CG GLU A 43 13.090 -4.824 -6.983 1.00 1.33 C ATOM 384 CD GLU A 43 13.575 -4.117 -8.227 1.00 1.88 C ATOM 385 OE1 GLU A 43 12.852 -4.128 -9.245 1.00 2.39 O ATOM 386 OE2 GLU A 43 14.681 -3.539 -8.191 1.00 2.57 O ATOM 0 H GLU A 43 11.605 -2.605 -4.031 1.00 0.62 H new ATOM 0 HA GLU A 43 11.357 -5.308 -4.863 1.00 0.75 H new ATOM 0 HB2 GLU A 43 11.640 -3.370 -6.381 1.00 0.93 H new ATOM 0 HB3 GLU A 43 13.246 -3.090 -5.738 1.00 0.93 H new ATOM 0 HG2 GLU A 43 13.918 -5.374 -6.536 1.00 1.33 H new ATOM 0 HG3 GLU A 43 12.332 -5.557 -7.258 1.00 1.33 H new ATOM 393 N LYS A 44 14.079 -4.438 -3.245 1.00 0.68 N ATOM 394 CA LYS A 44 15.294 -4.928 -2.607 1.00 0.77 C ATOM 395 C LYS A 44 14.978 -5.983 -1.544 1.00 0.69 C ATOM 396 O LYS A 44 15.770 -6.894 -1.308 1.00 0.80 O ATOM 397 CB LYS A 44 16.067 -3.757 -1.988 1.00 0.92 C ATOM 398 CG LYS A 44 17.402 -4.151 -1.382 1.00 1.42 C ATOM 399 CD LYS A 44 18.170 -2.941 -0.876 1.00 1.99 C ATOM 400 CE LYS A 44 19.509 -3.341 -0.276 1.00 2.49 C ATOM 401 NZ LYS A 44 19.348 -4.212 0.920 1.00 2.98 N ATOM 0 H LYS A 44 13.875 -3.457 -3.057 1.00 0.68 H new ATOM 0 HA LYS A 44 15.913 -5.402 -3.369 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.236 -3.001 -2.755 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.451 -3.296 -1.216 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.237 -4.847 -0.559 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.999 -4.675 -2.128 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.332 -2.242 -1.697 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.576 -2.419 -0.126 1.00 1.99 H new ATOM 0 HE2 LYS A 44 20.101 -3.863 -1.027 1.00 2.49 H new ATOM 0 HE3 LYS A 44 20.064 -2.445 0.001 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.259 -4.295 1.414 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 18.643 -3.795 1.561 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.029 -5.156 0.622 1.00 2.98 H new ATOM 415 N ALA A 45 13.815 -5.863 -0.915 1.00 0.61 N ATOM 416 CA ALA A 45 13.414 -6.798 0.130 1.00 0.64 C ATOM 417 C ALA A 45 12.512 -7.900 -0.423 1.00 0.60 C ATOM 418 O ALA A 45 11.907 -8.663 0.332 1.00 0.71 O ATOM 419 CB ALA A 45 12.715 -6.059 1.260 1.00 0.76 C ATOM 0 H ALA A 45 13.134 -5.129 -1.110 1.00 0.61 H new ATOM 0 HA ALA A 45 14.316 -7.270 0.520 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.421 -6.770 2.033 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.393 -5.320 1.686 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.828 -5.557 0.873 1.00 0.76 H new ATOM 425 N ASN A 46 12.440 -7.970 -1.753 1.00 0.56 N ATOM 426 CA ASN A 46 11.634 -8.970 -2.456 1.00 0.65 C ATOM 427 C ASN A 46 10.152 -8.811 -2.107 1.00 0.62 C ATOM 428 O ASN A 46 9.480 -9.754 -1.690 1.00 0.80 O ATOM 429 CB ASN A 46 12.138 -10.393 -2.146 1.00 0.83 C ATOM 430 CG ASN A 46 11.539 -11.460 -3.054 1.00 1.46 C ATOM 431 OD1 ASN A 46 12.015 -11.685 -4.169 1.00 2.11 O ATOM 432 ND2 ASN A 46 10.520 -12.151 -2.571 1.00 2.22 N ATOM 0 H ASN A 46 12.940 -7.334 -2.374 1.00 0.56 H new ATOM 0 HA ASN A 46 11.741 -8.809 -3.529 1.00 0.65 H new ATOM 0 HB2 ASN A 46 13.224 -10.414 -2.240 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.903 -10.635 -1.110 1.00 0.83 H new ATOM 0 HD21 ASN A 46 10.102 -12.898 -3.125 1.00 2.22 H new ATOM 0 HD22 ASN A 46 10.152 -11.937 -1.644 1.00 2.22 H new ATOM 439 N LEU A 47 9.657 -7.591 -2.256 1.00 0.48 N ATOM 440 CA LEU A 47 8.243 -7.305 -2.060 1.00 0.48 C ATOM 441 C LEU A 47 7.636 -6.856 -3.380 1.00 0.45 C ATOM 442 O LEU A 47 8.350 -6.366 -4.260 1.00 0.53 O ATOM 443 CB LEU A 47 8.045 -6.197 -1.021 1.00 0.51 C ATOM 444 CG LEU A 47 8.831 -6.348 0.281 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.500 -5.203 1.219 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.538 -7.682 0.948 1.00 1.11 C ATOM 0 H LEU A 47 10.217 -6.779 -2.514 1.00 0.48 H new ATOM 0 HA LEU A 47 7.755 -8.212 -1.702 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.317 -5.246 -1.478 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.984 -6.141 -0.777 1.00 0.51 H new ATOM 0 HG LEU A 47 9.895 -6.320 0.045 1.00 0.58 H new ATOM 0 HD11 LEU A 47 9.064 -5.317 2.145 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.765 -4.257 0.747 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.433 -5.211 1.440 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.111 -7.761 1.872 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.474 -7.750 1.175 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.818 -8.494 0.277 1.00 1.11 H new ATOM 458 N GLU A 48 6.333 -7.017 -3.525 1.00 0.43 N ATOM 459 CA GLU A 48 5.654 -6.582 -4.731 1.00 0.47 C ATOM 460 C GLU A 48 4.952 -5.254 -4.484 1.00 0.45 C ATOM 461 O GLU A 48 3.871 -5.211 -3.897 1.00 0.49 O ATOM 462 CB GLU A 48 4.650 -7.636 -5.203 1.00 0.58 C ATOM 463 CG GLU A 48 3.954 -7.264 -6.504 1.00 0.80 C ATOM 464 CD GLU A 48 4.901 -7.212 -7.690 1.00 1.27 C ATOM 465 OE1 GLU A 48 5.934 -6.509 -7.615 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.610 -7.863 -8.711 1.00 1.74 O ATOM 0 H GLU A 48 5.726 -7.444 -2.825 1.00 0.43 H new ATOM 0 HA GLU A 48 6.398 -6.449 -5.516 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.167 -8.587 -5.334 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.899 -7.786 -4.427 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.165 -7.988 -6.708 1.00 0.80 H new ATOM 0 HG3 GLU A 48 3.473 -6.293 -6.387 1.00 0.80 H new ATOM 473 N LEU A 49 5.572 -4.168 -4.918 1.00 0.46 N ATOM 474 CA LEU A 49 4.998 -2.850 -4.727 1.00 0.50 C ATOM 475 C LEU A 49 4.505 -2.291 -6.051 1.00 0.45 C ATOM 476 O LEU A 49 5.238 -2.254 -7.042 1.00 0.54 O ATOM 477 CB LEU A 49 6.015 -1.904 -4.077 1.00 0.67 C ATOM 478 CG LEU A 49 5.464 -0.538 -3.642 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.213 -0.031 -2.422 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.571 0.477 -4.770 1.00 0.99 C ATOM 0 H LEU A 49 6.469 -4.175 -5.403 1.00 0.46 H new ATOM 0 HA LEU A 49 4.145 -2.938 -4.054 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.440 -2.400 -3.204 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.832 -1.740 -4.779 1.00 0.67 H new ATOM 0 HG LEU A 49 4.411 -0.665 -3.389 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.812 0.938 -2.125 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.095 -0.739 -1.602 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.271 0.073 -2.662 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.174 1.436 -4.436 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.617 0.596 -5.054 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.999 0.127 -5.630 1.00 0.99 H new ATOM 492 N ILE A 50 3.257 -1.867 -6.055 1.00 0.39 N ATOM 493 CA ILE A 50 2.634 -1.302 -7.232 1.00 0.43 C ATOM 494 C ILE A 50 2.137 0.107 -6.929 1.00 0.40 C ATOM 495 O ILE A 50 1.592 0.364 -5.858 1.00 0.37 O ATOM 496 CB ILE A 50 1.450 -2.172 -7.711 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.918 -3.602 -8.004 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.814 -1.556 -8.942 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.807 -4.529 -8.449 1.00 1.31 C ATOM 0 H ILE A 50 2.646 -1.905 -5.239 1.00 0.39 H new ATOM 0 HA ILE A 50 3.381 -1.269 -8.025 1.00 0.43 H new ATOM 0 HB ILE A 50 0.704 -2.214 -6.918 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.685 -3.572 -8.778 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.384 -4.013 -7.108 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.019 -2.177 -9.271 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.449 -0.557 -8.702 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.554 -1.490 -9.739 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.215 -5.522 -8.637 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.049 -4.590 -7.668 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.355 -4.143 -9.363 1.00 1.31 H new ATOM 511 N THR A 51 2.343 1.022 -7.855 1.00 0.48 N ATOM 512 CA THR A 51 1.914 2.395 -7.673 1.00 0.52 C ATOM 513 C THR A 51 0.746 2.722 -8.598 1.00 0.56 C ATOM 514 O THR A 51 0.939 2.960 -9.791 1.00 0.66 O ATOM 515 CB THR A 51 3.079 3.363 -7.947 1.00 0.63 C ATOM 516 OG1 THR A 51 4.223 2.963 -7.181 1.00 1.19 O ATOM 517 CG2 THR A 51 2.699 4.795 -7.595 1.00 1.20 C ATOM 0 H THR A 51 2.807 0.839 -8.745 1.00 0.48 H new ATOM 0 HA THR A 51 1.588 2.513 -6.640 1.00 0.52 H new ATOM 0 HB THR A 51 3.314 3.326 -9.011 1.00 0.63 H new ATOM 0 HG1 THR A 51 5.008 2.915 -7.766 1.00 1.19 H new ATOM 0 HG21 THR A 51 3.542 5.456 -7.799 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.843 5.102 -8.196 1.00 1.20 H new ATOM 0 HG23 THR A 51 2.440 4.853 -6.538 1.00 1.20 H new ATOM 525 N VAL A 52 -0.469 2.715 -8.056 1.00 0.68 N ATOM 526 CA VAL A 52 -1.645 3.061 -8.846 1.00 0.78 C ATOM 527 C VAL A 52 -2.452 4.162 -8.156 1.00 0.85 C ATOM 528 O VAL A 52 -3.417 3.889 -7.441 1.00 1.66 O ATOM 529 CB VAL A 52 -2.554 1.823 -9.043 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.775 2.158 -9.879 1.00 1.77 C ATOM 531 CG2 VAL A 52 -1.785 0.678 -9.673 1.00 1.95 C ATOM 0 H VAL A 52 -0.663 2.476 -7.084 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.299 3.416 -9.817 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.894 1.511 -8.056 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.391 1.266 -9.997 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.354 2.936 -9.381 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.458 2.513 -10.860 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.447 -0.179 -9.800 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.402 0.988 -10.645 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -0.952 0.400 -9.027 1.00 1.95 H new ATOM 541 N PRO A 53 -2.044 5.427 -8.327 1.00 0.73 N ATOM 542 CA PRO A 53 -2.827 6.564 -7.885 1.00 0.90 C ATOM 543 C PRO A 53 -3.798 7.084 -8.950 1.00 0.88 C ATOM 544 O PRO A 53 -3.381 7.750 -9.900 1.00 1.64 O ATOM 545 CB PRO A 53 -1.745 7.599 -7.580 1.00 1.83 C ATOM 546 CG PRO A 53 -0.638 7.298 -8.541 1.00 2.29 C ATOM 547 CD PRO A 53 -0.786 5.852 -8.958 1.00 1.49 C ATOM 0 HA PRO A 53 -3.474 6.319 -7.042 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -2.120 8.613 -7.715 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -1.404 7.520 -6.548 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -0.693 7.956 -9.408 1.00 2.29 H new ATOM 0 HG3 PRO A 53 0.333 7.466 -8.074 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -0.830 5.752 -10.043 1.00 1.49 H new ATOM 0 HD3 PRO A 53 0.056 5.250 -8.616 1.00 1.49 H new ATOM 555 N GLY A 54 -5.079 6.793 -8.810 1.00 1.49 N ATOM 556 CA GLY A 54 -6.068 7.580 -9.523 1.00 2.14 C ATOM 557 C GLY A 54 -7.067 8.145 -8.548 1.00 1.80 C ATOM 558 O GLY A 54 -7.352 9.342 -8.536 1.00 2.08 O ATOM 0 H GLY A 54 -5.451 6.042 -8.228 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -5.580 8.388 -10.067 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -6.577 6.960 -10.261 1.00 2.14 H new ATOM 562 N SER A 55 -7.595 7.258 -7.727 1.00 1.36 N ATOM 563 CA SER A 55 -8.179 7.606 -6.452 1.00 0.97 C ATOM 564 C SER A 55 -7.397 6.886 -5.368 1.00 0.64 C ATOM 565 O SER A 55 -6.744 5.884 -5.661 1.00 0.50 O ATOM 566 CB SER A 55 -9.659 7.223 -6.394 1.00 1.19 C ATOM 567 OG SER A 55 -10.419 7.986 -7.315 1.00 1.75 O ATOM 0 H SER A 55 -7.629 6.260 -7.933 1.00 1.36 H new ATOM 0 HA SER A 55 -8.125 8.685 -6.306 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.772 6.162 -6.615 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.040 7.381 -5.385 1.00 1.19 H new ATOM 0 HG SER A 55 -11.361 7.722 -7.260 1.00 1.75 H new ATOM 573 N PRO A 56 -7.430 7.349 -4.118 1.00 0.66 N ATOM 574 CA PRO A 56 -6.904 6.561 -3.004 1.00 0.58 C ATOM 575 C PRO A 56 -7.593 5.199 -2.938 1.00 0.53 C ATOM 576 O PRO A 56 -6.951 4.169 -2.742 1.00 0.62 O ATOM 577 CB PRO A 56 -7.247 7.411 -1.779 1.00 0.70 C ATOM 578 CG PRO A 56 -7.318 8.798 -2.312 1.00 1.09 C ATOM 579 CD PRO A 56 -7.919 8.669 -3.682 1.00 0.87 C ATOM 0 HA PRO A 56 -5.838 6.352 -3.089 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.194 7.106 -1.334 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.486 7.320 -1.004 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -7.931 9.434 -1.673 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.328 9.252 -2.358 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.008 8.710 -3.654 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.587 9.466 -4.348 1.00 0.87 H new ATOM 587 N GLU A 57 -8.905 5.217 -3.163 1.00 0.62 N ATOM 588 CA GLU A 57 -9.733 4.012 -3.137 1.00 0.80 C ATOM 589 C GLU A 57 -9.338 3.026 -4.243 1.00 0.67 C ATOM 590 O GLU A 57 -9.472 1.812 -4.074 1.00 0.67 O ATOM 591 CB GLU A 57 -11.205 4.401 -3.302 1.00 1.14 C ATOM 592 CG GLU A 57 -12.161 3.217 -3.315 1.00 1.80 C ATOM 593 CD GLU A 57 -13.534 3.587 -3.832 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.682 3.748 -5.061 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.474 3.708 -3.019 1.00 2.70 O ATOM 0 H GLU A 57 -9.426 6.070 -3.369 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.577 3.519 -2.177 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.486 5.072 -2.491 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.321 4.958 -4.232 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -11.744 2.424 -3.936 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.252 2.817 -2.305 1.00 1.80 H new ATOM 602 N GLU A 58 -8.840 3.552 -5.358 1.00 0.61 N ATOM 603 CA GLU A 58 -8.530 2.732 -6.528 1.00 0.56 C ATOM 604 C GLU A 58 -7.492 1.668 -6.188 1.00 0.50 C ATOM 605 O GLU A 58 -7.640 0.497 -6.552 1.00 0.54 O ATOM 606 CB GLU A 58 -8.037 3.613 -7.680 1.00 0.62 C ATOM 607 CG GLU A 58 -7.825 2.860 -8.985 1.00 1.18 C ATOM 608 CD GLU A 58 -7.498 3.783 -10.140 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.418 4.468 -10.633 1.00 2.30 O ATOM 610 OE2 GLU A 58 -6.327 3.830 -10.563 1.00 2.01 O ATOM 0 H GLU A 58 -8.641 4.545 -5.477 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.443 2.226 -6.841 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.758 4.413 -7.847 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.099 4.085 -7.388 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -7.016 2.141 -8.858 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.724 2.290 -9.222 1.00 1.18 H new ATOM 617 N ALA A 59 -6.454 2.076 -5.470 1.00 0.52 N ATOM 618 CA ALA A 59 -5.406 1.157 -5.056 1.00 0.59 C ATOM 619 C ALA A 59 -5.928 0.185 -4.004 1.00 0.50 C ATOM 620 O ALA A 59 -5.551 -0.987 -3.987 1.00 0.50 O ATOM 621 CB ALA A 59 -4.207 1.928 -4.524 1.00 0.78 C ATOM 0 H ALA A 59 -6.317 3.039 -5.163 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.089 0.580 -5.925 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.430 1.227 -4.218 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.819 2.581 -5.305 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.512 2.529 -3.667 1.00 0.78 H new ATOM 627 N ILE A 60 -6.819 0.672 -3.143 1.00 0.51 N ATOM 628 CA ILE A 60 -7.384 -0.153 -2.078 1.00 0.52 C ATOM 629 C ILE A 60 -8.212 -1.288 -2.671 1.00 0.50 C ATOM 630 O ILE A 60 -8.155 -2.427 -2.207 1.00 0.52 O ATOM 631 CB ILE A 60 -8.295 0.656 -1.122 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.679 2.016 -0.771 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.561 -0.144 0.148 1.00 0.74 C ATOM 634 CD1 ILE A 60 -6.345 1.935 -0.065 1.00 1.03 C ATOM 0 H ILE A 60 -7.165 1.632 -3.162 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.539 -0.542 -1.510 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.238 0.842 -1.636 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -7.556 2.593 -1.688 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.377 2.565 -0.140 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.202 0.433 0.814 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.055 -1.081 -0.109 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.616 -0.357 0.649 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -5.983 2.941 0.145 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -6.461 1.388 0.871 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -5.628 1.417 -0.701 1.00 1.03 H new ATOM 646 N ARG A 61 -8.980 -0.971 -3.705 1.00 0.51 N ATOM 647 CA ARG A 61 -9.843 -1.957 -4.334 1.00 0.57 C ATOM 648 C ARG A 61 -9.022 -2.928 -5.180 1.00 0.55 C ATOM 649 O ARG A 61 -9.378 -4.099 -5.316 1.00 0.67 O ATOM 650 CB ARG A 61 -10.915 -1.274 -5.188 1.00 0.63 C ATOM 651 CG ARG A 61 -12.026 -2.217 -5.621 1.00 0.68 C ATOM 652 CD ARG A 61 -13.089 -1.505 -6.441 1.00 0.85 C ATOM 653 NE ARG A 61 -14.157 -2.417 -6.852 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.399 -2.036 -7.146 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.740 -0.756 -7.091 1.00 2.28 N ATOM 656 NH2 ARG A 61 -16.302 -2.944 -7.498 1.00 3.35 N ATOM 0 H ARG A 61 -9.022 -0.042 -4.123 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.343 -2.523 -3.548 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -11.348 -0.448 -4.624 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -10.446 -0.845 -6.073 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -11.602 -3.032 -6.207 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -12.487 -2.664 -4.740 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.513 -0.688 -5.857 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.630 -1.060 -7.324 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.936 -3.411 -6.918 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -15.049 -0.055 -6.822 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -16.693 -0.472 -7.318 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -16.044 -3.930 -7.543 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -17.254 -2.656 -7.724 1.00 3.35 H new ATOM 670 N LEU A 62 -7.913 -2.444 -5.730 1.00 0.47 N ATOM 671 CA LEU A 62 -7.029 -3.290 -6.524 1.00 0.50 C ATOM 672 C LEU A 62 -6.261 -4.247 -5.617 1.00 0.43 C ATOM 673 O LEU A 62 -5.926 -5.364 -6.016 1.00 0.45 O ATOM 674 CB LEU A 62 -6.063 -2.440 -7.357 1.00 0.59 C ATOM 675 CG LEU A 62 -5.157 -3.226 -8.313 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.984 -4.042 -9.295 1.00 1.22 C ATOM 677 CD2 LEU A 62 -4.233 -2.282 -9.063 1.00 1.03 C ATOM 0 H LEU A 62 -7.606 -1.475 -5.641 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.638 -3.876 -7.212 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.644 -1.724 -7.939 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.434 -1.863 -6.678 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.553 -3.913 -7.720 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -5.319 -4.591 -9.962 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.610 -4.746 -8.747 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.616 -3.375 -9.881 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.597 -2.855 -9.737 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.827 -1.573 -9.640 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.611 -1.739 -8.351 1.00 1.03 H new ATOM 689 N ALA A 63 -6.002 -3.805 -4.389 1.00 0.41 N ATOM 690 CA ALA A 63 -5.375 -4.651 -3.381 1.00 0.42 C ATOM 691 C ALA A 63 -6.200 -5.911 -3.151 1.00 0.46 C ATOM 692 O ALA A 63 -5.658 -7.004 -2.981 1.00 0.49 O ATOM 693 CB ALA A 63 -5.222 -3.883 -2.077 1.00 0.49 C ATOM 0 H ALA A 63 -6.218 -2.861 -4.068 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.388 -4.944 -3.740 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.753 -4.524 -1.330 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.600 -3.004 -2.243 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.204 -3.571 -1.721 1.00 0.49 H new ATOM 699 N GLN A 64 -7.517 -5.741 -3.172 1.00 0.52 N ATOM 700 CA GLN A 64 -8.451 -6.841 -2.969 1.00 0.64 C ATOM 701 C GLN A 64 -8.310 -7.880 -4.074 1.00 0.62 C ATOM 702 O GLN A 64 -8.380 -9.085 -3.827 1.00 0.69 O ATOM 703 CB GLN A 64 -9.881 -6.304 -2.947 1.00 0.77 C ATOM 704 CG GLN A 64 -10.103 -5.222 -1.908 1.00 1.11 C ATOM 705 CD GLN A 64 -11.474 -4.586 -2.007 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.567 -3.323 -1.623 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -12.441 -5.222 -2.424 1.00 2.12 N flip ATOM 0 H GLN A 64 -7.966 -4.839 -3.330 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.224 -7.317 -2.015 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.127 -5.907 -3.932 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.568 -7.128 -2.755 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.976 -5.649 -0.913 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -9.341 -4.451 -2.024 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.327 -6.194 -2.710 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.357 -4.777 -2.484 1.00 2.12 H new ATOM 716 N GLU A 65 -8.108 -7.400 -5.294 1.00 0.58 N ATOM 717 CA GLU A 65 -7.953 -8.275 -6.445 1.00 0.63 C ATOM 718 C GLU A 65 -6.634 -9.027 -6.375 1.00 0.55 C ATOM 719 O GLU A 65 -6.603 -10.245 -6.516 1.00 0.62 O ATOM 720 CB GLU A 65 -8.035 -7.470 -7.742 1.00 0.69 C ATOM 721 CG GLU A 65 -9.378 -6.792 -7.948 1.00 1.24 C ATOM 722 CD GLU A 65 -10.525 -7.779 -8.039 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.858 -8.212 -9.163 1.00 2.21 O ATOM 724 OE2 GLU A 65 -11.109 -8.122 -6.988 1.00 1.95 O ATOM 0 H GLU A 65 -8.048 -6.405 -5.511 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.765 -9.002 -6.433 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.251 -6.713 -7.741 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.838 -8.132 -8.585 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -9.562 -6.102 -7.124 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.343 -6.197 -8.860 1.00 1.24 H new ATOM 731 N ILE A 66 -5.550 -8.302 -6.124 1.00 0.46 N ATOM 732 CA ILE A 66 -4.228 -8.912 -6.077 1.00 0.46 C ATOM 733 C ILE A 66 -4.148 -9.967 -4.975 1.00 0.43 C ATOM 734 O ILE A 66 -3.552 -11.027 -5.168 1.00 0.48 O ATOM 735 CB ILE A 66 -3.127 -7.849 -5.871 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.179 -6.822 -7.006 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.753 -8.504 -5.807 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.197 -5.685 -6.844 1.00 0.53 C ATOM 0 H ILE A 66 -5.560 -7.297 -5.951 1.00 0.46 H new ATOM 0 HA ILE A 66 -4.062 -9.399 -7.038 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.303 -7.339 -4.924 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.982 -7.328 -7.951 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.187 -6.413 -7.068 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.991 -7.738 -5.662 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.724 -9.208 -4.975 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.560 -9.036 -6.739 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.293 -4.999 -7.686 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.406 -5.153 -5.916 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.182 -6.082 -6.813 1.00 0.53 H new ATOM 750 N ALA A 67 -4.773 -9.684 -3.837 1.00 0.44 N ATOM 751 CA ALA A 67 -4.782 -10.618 -2.713 1.00 0.51 C ATOM 752 C ALA A 67 -5.577 -11.878 -3.046 1.00 0.55 C ATOM 753 O ALA A 67 -5.218 -12.981 -2.629 1.00 0.63 O ATOM 754 CB ALA A 67 -5.351 -9.947 -1.474 1.00 0.60 C ATOM 0 H ALA A 67 -5.280 -8.816 -3.667 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.752 -10.914 -2.514 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.352 -10.655 -0.645 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.738 -9.084 -1.214 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.372 -9.621 -1.673 1.00 0.60 H new ATOM 760 N GLU A 68 -6.655 -11.706 -3.799 1.00 0.60 N ATOM 761 CA GLU A 68 -7.488 -12.824 -4.221 1.00 0.73 C ATOM 762 C GLU A 68 -6.776 -13.656 -5.283 1.00 0.73 C ATOM 763 O GLU A 68 -6.737 -14.884 -5.211 1.00 0.87 O ATOM 764 CB GLU A 68 -8.815 -12.301 -4.781 1.00 0.83 C ATOM 765 CG GLU A 68 -9.658 -13.362 -5.476 1.00 1.10 C ATOM 766 CD GLU A 68 -10.272 -14.362 -4.520 1.00 1.71 C ATOM 767 OE1 GLU A 68 -9.548 -15.254 -4.028 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.493 -14.274 -4.273 1.00 2.22 O ATOM 0 H GLU A 68 -6.975 -10.796 -4.132 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.682 -13.456 -3.355 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.395 -11.868 -3.966 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.607 -11.497 -5.487 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -10.453 -12.873 -6.039 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -9.037 -13.894 -6.197 1.00 1.10 H new ATOM 775 N LYS A 69 -6.204 -12.974 -6.262 1.00 0.65 N ATOM 776 CA LYS A 69 -5.631 -13.632 -7.424 1.00 0.71 C ATOM 777 C LYS A 69 -4.275 -14.261 -7.113 1.00 0.73 C ATOM 778 O LYS A 69 -3.796 -15.109 -7.863 1.00 0.92 O ATOM 779 CB LYS A 69 -5.509 -12.633 -8.573 1.00 0.73 C ATOM 780 CG LYS A 69 -6.834 -11.981 -8.955 1.00 0.77 C ATOM 781 CD LYS A 69 -7.834 -12.989 -9.502 1.00 1.29 C ATOM 782 CE LYS A 69 -7.374 -13.583 -10.823 1.00 1.73 C ATOM 783 NZ LYS A 69 -7.252 -12.549 -11.884 1.00 2.41 N ATOM 0 H LYS A 69 -6.124 -11.957 -6.274 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.299 -14.442 -7.717 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.798 -11.856 -8.294 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.099 -13.142 -9.445 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.259 -11.487 -8.081 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.654 -11.208 -9.702 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.978 -13.788 -8.775 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.801 -12.504 -9.639 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -6.412 -14.075 -10.684 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.081 -14.349 -11.142 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -7.154 -13.012 -12.810 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.102 -11.950 -11.885 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -6.415 -11.960 -11.700 1.00 2.41 H new ATOM 797 N ALA A 70 -3.656 -13.844 -6.018 1.00 0.67 N ATOM 798 CA ALA A 70 -2.393 -14.434 -5.597 1.00 0.71 C ATOM 799 C ALA A 70 -2.645 -15.722 -4.829 1.00 0.69 C ATOM 800 O ALA A 70 -3.331 -15.712 -3.808 1.00 0.68 O ATOM 801 CB ALA A 70 -1.602 -13.469 -4.732 1.00 0.78 C ATOM 0 H ALA A 70 -4.005 -13.104 -5.408 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.810 -14.655 -6.491 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.664 -13.935 -4.432 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.392 -12.562 -5.298 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.182 -13.217 -3.844 1.00 0.78 H new ATOM 807 N PRO A 71 -2.114 -16.849 -5.314 1.00 0.84 N ATOM 808 CA PRO A 71 -2.268 -18.132 -4.639 1.00 0.90 C ATOM 809 C PRO A 71 -1.284 -18.298 -3.480 1.00 0.81 C ATOM 810 O PRO A 71 -0.081 -18.471 -3.687 1.00 0.93 O ATOM 811 CB PRO A 71 -1.976 -19.140 -5.748 1.00 1.19 C ATOM 812 CG PRO A 71 -1.034 -18.439 -6.671 1.00 1.34 C ATOM 813 CD PRO A 71 -1.334 -16.965 -6.562 1.00 1.08 C ATOM 0 HA PRO A 71 -3.253 -18.249 -4.187 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -1.531 -20.050 -5.346 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -2.890 -19.433 -6.265 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.001 -18.644 -6.397 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.167 -18.786 -7.696 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.419 -16.374 -6.517 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.902 -16.609 -7.422 1.00 1.08 H new ATOM 821 N GLY A 72 -1.802 -18.234 -2.267 1.00 0.75 N ATOM 822 CA GLY A 72 -0.981 -18.459 -1.095 1.00 0.77 C ATOM 823 C GLY A 72 -1.232 -17.423 -0.022 1.00 0.63 C ATOM 824 O GLY A 72 -2.220 -16.686 -0.096 1.00 0.62 O ATOM 0 H GLY A 72 -2.782 -18.029 -2.070 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.184 -19.452 -0.695 1.00 0.77 H new ATOM 0 HA3 GLY A 72 0.071 -18.439 -1.380 1.00 0.77 H new ATOM 828 N PRO A 73 -0.368 -17.351 1.001 1.00 0.61 N ATOM 829 CA PRO A 73 -0.481 -16.345 2.055 1.00 0.58 C ATOM 830 C PRO A 73 -0.090 -14.960 1.547 1.00 0.48 C ATOM 831 O PRO A 73 1.041 -14.743 1.102 1.00 0.54 O ATOM 832 CB PRO A 73 0.501 -16.831 3.121 1.00 0.71 C ATOM 833 CG PRO A 73 1.510 -17.631 2.373 1.00 0.90 C ATOM 834 CD PRO A 73 0.782 -18.250 1.212 1.00 0.73 C ATOM 0 HA PRO A 73 -1.500 -16.242 2.428 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.967 -15.994 3.641 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.002 -17.435 3.876 1.00 0.71 H new ATOM 0 HG2 PRO A 73 2.328 -16.999 2.027 1.00 0.90 H new ATOM 0 HG3 PRO A 73 1.948 -18.399 3.011 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.415 -18.305 0.326 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.460 -19.267 1.438 1.00 0.73 H new ATOM 842 N VAL A 74 -1.028 -14.030 1.603 1.00 0.48 N ATOM 843 CA VAL A 74 -0.795 -12.696 1.083 1.00 0.46 C ATOM 844 C VAL A 74 -0.914 -11.652 2.187 1.00 0.44 C ATOM 845 O VAL A 74 -1.795 -11.736 3.046 1.00 0.56 O ATOM 846 CB VAL A 74 -1.784 -12.346 -0.053 1.00 0.62 C ATOM 847 CG1 VAL A 74 -1.351 -11.076 -0.771 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.914 -13.499 -1.038 1.00 1.31 C ATOM 0 H VAL A 74 -1.955 -14.175 2.002 1.00 0.48 H new ATOM 0 HA VAL A 74 0.218 -12.686 0.681 1.00 0.46 H new ATOM 0 HB VAL A 74 -2.762 -12.172 0.395 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -2.060 -10.848 -1.566 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -1.323 -10.249 -0.062 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -0.359 -11.221 -1.200 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.615 -13.226 -1.827 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -0.940 -13.714 -1.477 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -2.280 -14.383 -0.517 1.00 1.31 H new ATOM 858 N LYS A 75 -0.001 -10.698 2.175 1.00 0.44 N ATOM 859 CA LYS A 75 -0.034 -9.568 3.087 1.00 0.52 C ATOM 860 C LYS A 75 0.071 -8.288 2.273 1.00 0.42 C ATOM 861 O LYS A 75 1.093 -8.043 1.633 1.00 0.45 O ATOM 862 CB LYS A 75 1.126 -9.636 4.085 1.00 0.76 C ATOM 863 CG LYS A 75 1.229 -10.947 4.843 1.00 1.20 C ATOM 864 CD LYS A 75 2.357 -10.901 5.859 1.00 1.52 C ATOM 865 CE LYS A 75 2.540 -12.237 6.552 1.00 1.90 C ATOM 866 NZ LYS A 75 3.579 -12.171 7.614 1.00 2.58 N ATOM 0 H LYS A 75 0.788 -10.685 1.529 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.967 -9.589 3.649 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.060 -9.467 3.549 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.019 -8.823 4.803 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.286 -11.153 5.350 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.399 -11.764 4.142 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.285 -10.619 5.361 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.147 -10.131 6.602 1.00 1.52 H new ATOM 0 HE2 LYS A 75 1.593 -12.552 6.989 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.819 -12.992 5.817 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 3.687 -13.108 8.053 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 4.485 -11.878 7.196 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 3.293 -11.481 8.337 1.00 2.58 H new ATOM 880 N VAL A 76 -0.980 -7.487 2.266 1.00 0.42 N ATOM 881 CA VAL A 76 -0.995 -6.294 1.442 1.00 0.39 C ATOM 882 C VAL A 76 -1.031 -5.028 2.292 1.00 0.38 C ATOM 883 O VAL A 76 -1.771 -4.938 3.271 1.00 0.50 O ATOM 884 CB VAL A 76 -2.205 -6.286 0.480 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.048 -5.204 -0.576 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.397 -7.649 -0.170 1.00 1.16 C ATOM 0 H VAL A 76 -1.825 -7.639 2.816 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.074 -6.308 0.860 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.097 -6.064 1.066 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.911 -5.217 -1.242 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -1.978 -4.230 -0.091 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.142 -5.388 -1.153 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.255 -7.614 -0.841 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.503 -7.911 -0.736 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.570 -8.399 0.602 1.00 1.16 H new ATOM 896 N LEU A 77 -0.211 -4.060 1.923 1.00 0.35 N ATOM 897 CA LEU A 77 -0.276 -2.735 2.512 1.00 0.41 C ATOM 898 C LEU A 77 -0.664 -1.723 1.453 1.00 0.39 C ATOM 899 O LEU A 77 -0.254 -1.829 0.297 1.00 0.43 O ATOM 900 CB LEU A 77 1.056 -2.315 3.139 1.00 0.54 C ATOM 901 CG LEU A 77 1.414 -2.972 4.472 1.00 0.62 C ATOM 902 CD1 LEU A 77 2.658 -2.320 5.055 1.00 0.90 C ATOM 903 CD2 LEU A 77 0.257 -2.875 5.456 1.00 1.35 C ATOM 0 H LEU A 77 0.513 -4.169 1.213 1.00 0.35 H new ATOM 0 HA LEU A 77 -1.025 -2.768 3.303 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.852 -2.530 2.427 1.00 0.54 H new ATOM 0 HB3 LEU A 77 1.041 -1.235 3.283 1.00 0.54 H new ATOM 0 HG LEU A 77 1.616 -4.028 4.291 1.00 0.62 H new ATOM 0 HD11 LEU A 77 2.906 -2.794 6.005 1.00 0.90 H new ATOM 0 HD12 LEU A 77 3.490 -2.439 4.361 1.00 0.90 H new ATOM 0 HD13 LEU A 77 2.470 -1.259 5.217 1.00 0.90 H new ATOM 0 HD21 LEU A 77 0.538 -3.350 6.396 1.00 1.35 H new ATOM 0 HD22 LEU A 77 0.019 -1.827 5.636 1.00 1.35 H new ATOM 0 HD23 LEU A 77 -0.616 -3.379 5.042 1.00 1.35 H new ATOM 915 N VAL A 78 -1.464 -0.757 1.847 1.00 0.37 N ATOM 916 CA VAL A 78 -1.825 0.336 0.970 1.00 0.36 C ATOM 917 C VAL A 78 -1.559 1.659 1.667 1.00 0.36 C ATOM 918 O VAL A 78 -2.117 1.946 2.731 1.00 0.38 O ATOM 919 CB VAL A 78 -3.294 0.249 0.509 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.444 -0.765 -0.612 1.00 1.00 C ATOM 921 CG2 VAL A 78 -4.199 -0.119 1.668 1.00 1.01 C ATOM 0 H VAL A 78 -1.880 -0.706 2.777 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.208 0.267 0.074 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.589 1.230 0.135 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.488 -0.812 -0.923 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -2.826 -0.466 -1.458 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.126 -1.746 -0.260 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -5.231 -0.175 1.321 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.899 -1.086 2.071 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -4.119 0.639 2.447 1.00 1.01 H new ATOM 931 N LEU A 79 -0.676 2.443 1.083 1.00 0.38 N ATOM 932 CA LEU A 79 -0.254 3.689 1.689 1.00 0.40 C ATOM 933 C LEU A 79 -0.803 4.870 0.911 1.00 0.37 C ATOM 934 O LEU A 79 -0.596 4.979 -0.298 1.00 0.41 O ATOM 935 CB LEU A 79 1.275 3.767 1.743 1.00 0.46 C ATOM 936 CG LEU A 79 1.968 2.620 2.488 1.00 0.58 C ATOM 937 CD1 LEU A 79 3.479 2.770 2.410 1.00 1.23 C ATOM 938 CD2 LEU A 79 1.515 2.571 3.939 1.00 1.37 C ATOM 0 H LEU A 79 -0.235 2.238 0.186 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.645 3.724 2.706 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.656 3.797 0.722 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.557 4.707 2.216 1.00 0.46 H new ATOM 0 HG LEU A 79 1.687 1.682 2.008 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.954 1.947 2.944 1.00 1.23 H new ATOM 0 HD12 LEU A 79 3.793 2.754 1.366 1.00 1.23 H new ATOM 0 HD13 LEU A 79 3.775 3.716 2.864 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.018 1.750 4.450 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.765 3.512 4.430 1.00 1.37 H new ATOM 0 HD23 LEU A 79 0.437 2.416 3.979 1.00 1.37 H new ATOM 950 N ILE A 80 -1.515 5.742 1.602 1.00 0.41 N ATOM 951 CA ILE A 80 -2.008 6.965 0.995 1.00 0.43 C ATOM 952 C ILE A 80 -1.160 8.139 1.462 1.00 0.41 C ATOM 953 O ILE A 80 -0.681 8.153 2.600 1.00 0.42 O ATOM 954 CB ILE A 80 -3.497 7.218 1.318 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.739 7.199 2.831 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.368 6.181 0.621 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.169 7.505 3.223 1.00 1.40 C ATOM 0 H ILE A 80 -1.765 5.626 2.584 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.930 6.857 -0.087 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.767 8.207 0.948 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.467 6.218 3.221 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.078 7.925 3.305 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.416 6.369 0.856 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.220 6.247 -0.457 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.092 5.184 0.965 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.263 7.473 4.308 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.440 8.498 2.864 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.834 6.764 2.779 1.00 1.40 H new ATOM 969 N THR A 81 -0.956 9.107 0.587 1.00 0.60 N ATOM 970 CA THR A 81 -0.055 10.208 0.882 1.00 0.69 C ATOM 971 C THR A 81 -0.791 11.536 0.983 1.00 0.79 C ATOM 972 O THR A 81 -1.836 11.732 0.360 1.00 1.20 O ATOM 973 CB THR A 81 1.051 10.312 -0.182 1.00 1.13 C ATOM 974 OG1 THR A 81 0.478 10.338 -1.496 1.00 2.07 O ATOM 975 CG2 THR A 81 2.010 9.143 -0.071 1.00 1.92 C ATOM 0 H THR A 81 -1.400 9.154 -0.330 1.00 0.60 H new ATOM 0 HA THR A 81 0.395 9.994 1.851 1.00 0.69 H new ATOM 0 HB THR A 81 1.600 11.238 -0.011 1.00 1.13 H new ATOM 0 HG1 THR A 81 0.204 9.432 -1.751 1.00 2.07 H new ATOM 0 HG21 THR A 81 2.785 9.235 -0.832 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.470 9.142 0.917 1.00 1.92 H new ATOM 0 HG23 THR A 81 1.465 8.210 -0.218 1.00 1.92 H new ATOM 983 N GLY A 82 -0.238 12.441 1.781 1.00 0.73 N ATOM 984 CA GLY A 82 -0.822 13.757 1.935 1.00 1.09 C ATOM 985 C GLY A 82 -2.076 13.723 2.780 1.00 0.92 C ATOM 986 O GLY A 82 -2.259 12.812 3.591 1.00 1.03 O ATOM 0 H GLY A 82 0.609 12.284 2.327 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.094 14.426 2.393 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -1.057 14.167 0.953 1.00 1.09 H new ATOM 990 N SER A 83 -2.933 14.713 2.606 1.00 1.03 N ATOM 991 CA SER A 83 -4.188 14.757 3.326 1.00 1.19 C ATOM 992 C SER A 83 -5.331 14.282 2.438 1.00 1.10 C ATOM 993 O SER A 83 -5.755 14.987 1.520 1.00 1.22 O ATOM 994 CB SER A 83 -4.449 16.176 3.840 1.00 1.61 C ATOM 995 OG SER A 83 -4.254 17.139 2.816 1.00 2.22 O ATOM 0 H SER A 83 -2.781 15.497 1.971 1.00 1.03 H new ATOM 0 HA SER A 83 -4.126 14.085 4.182 1.00 1.19 H new ATOM 0 HB2 SER A 83 -5.469 16.246 4.219 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.783 16.391 4.676 1.00 1.61 H new ATOM 0 HG SER A 83 -4.579 16.781 1.964 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.804 13.071 2.697 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.940 12.527 1.973 1.00 0.95 C ATOM 1003 C ALA A 84 -8.206 13.264 2.377 1.00 0.97 C ATOM 1004 O ALA A 84 -8.572 13.281 3.554 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.076 11.035 2.238 1.00 0.97 C ATOM 0 H ALA A 84 -5.417 12.447 3.405 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.780 12.665 0.904 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.932 10.644 1.688 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.171 10.523 1.912 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.223 10.867 3.305 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.862 13.879 1.402 1.00 0.89 N ATOM 1012 CA ASP A 85 -10.049 14.690 1.662 1.00 0.93 C ATOM 1013 C ASP A 85 -11.168 13.829 2.228 1.00 0.81 C ATOM 1014 O ASP A 85 -11.143 12.614 2.057 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.522 15.384 0.378 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.523 16.397 -0.144 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.870 16.116 -1.168 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.386 17.477 0.469 1.00 1.92 O ATOM 0 H ASP A 85 -8.593 13.833 0.419 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.785 15.453 2.395 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.705 14.632 -0.390 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.472 15.883 0.569 1.00 1.02 H new ATOM 1023 N PRO A 86 -12.151 14.427 2.925 1.00 0.92 N ATOM 1024 CA PRO A 86 -13.275 13.687 3.512 1.00 0.95 C ATOM 1025 C PRO A 86 -13.862 12.647 2.560 1.00 0.85 C ATOM 1026 O PRO A 86 -14.078 11.494 2.943 1.00 0.88 O ATOM 1027 CB PRO A 86 -14.294 14.785 3.798 1.00 1.11 C ATOM 1028 CG PRO A 86 -13.467 15.988 4.084 1.00 1.30 C ATOM 1029 CD PRO A 86 -12.239 15.873 3.219 1.00 1.11 C ATOM 0 HA PRO A 86 -12.973 13.116 4.390 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.953 14.949 2.945 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.929 14.528 4.646 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -14.018 16.901 3.858 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -13.197 16.032 5.139 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -12.335 16.462 2.307 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -11.349 16.231 3.737 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.082 13.056 1.313 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.635 12.176 0.283 1.00 0.86 C ATOM 1039 C ASP A 87 -13.728 10.977 0.036 1.00 0.74 C ATOM 1040 O ASP A 87 -14.199 9.874 -0.221 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.824 12.938 -1.028 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.823 14.068 -0.912 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -16.996 13.873 -1.296 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -15.439 15.158 -0.439 1.00 2.21 O ATOM 0 H ASP A 87 -13.884 14.002 0.987 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.601 11.820 0.642 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -13.864 13.340 -1.351 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.155 12.245 -1.801 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.429 11.205 0.116 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.449 10.162 -0.143 1.00 0.67 C ATOM 1051 C GLU A 88 -11.273 9.278 1.085 1.00 0.55 C ATOM 1052 O GLU A 88 -11.213 8.052 0.980 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.105 10.785 -0.512 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.191 11.825 -1.616 1.00 1.02 C ATOM 1055 CD GLU A 88 -8.839 12.409 -1.973 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -8.074 12.767 -1.054 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -8.542 12.526 -3.180 1.00 2.32 O ATOM 0 H GLU A 88 -12.025 12.109 0.360 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.809 9.553 -0.973 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.674 11.247 0.376 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.422 9.994 -0.823 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -10.633 11.372 -2.503 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.858 12.628 -1.303 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.193 9.919 2.243 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.966 9.231 3.505 1.00 0.62 C ATOM 1066 C LYS A 89 -12.092 8.247 3.807 1.00 0.59 C ATOM 1067 O LYS A 89 -11.843 7.135 4.269 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.829 10.251 4.637 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.529 9.634 5.994 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.232 10.699 7.040 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.423 11.619 7.272 1.00 2.39 C ATOM 1072 NZ LYS A 89 -12.586 10.895 7.850 1.00 2.81 N ATOM 0 H LYS A 89 -11.284 10.931 2.333 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.040 8.662 3.424 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.034 10.953 4.385 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.752 10.826 4.707 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.379 9.033 6.317 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.677 8.960 5.908 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.957 10.218 7.979 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.374 11.291 6.721 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -11.131 12.427 7.942 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -11.715 12.078 6.327 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -13.323 11.579 8.117 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -12.968 10.232 7.145 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -12.282 10.367 8.693 1.00 2.81 H new ATOM 1086 N THR A 90 -13.324 8.656 3.529 1.00 0.62 N ATOM 1087 CA THR A 90 -14.476 7.788 3.735 1.00 0.69 C ATOM 1088 C THR A 90 -14.385 6.548 2.861 1.00 0.62 C ATOM 1089 O THR A 90 -14.548 5.423 3.338 1.00 0.69 O ATOM 1090 CB THR A 90 -15.793 8.520 3.432 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.609 9.420 2.333 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.285 9.279 4.646 1.00 1.17 C ATOM 0 H THR A 90 -13.550 9.580 3.162 1.00 0.62 H new ATOM 0 HA THR A 90 -14.469 7.494 4.785 1.00 0.69 H new ATOM 0 HB THR A 90 -16.545 7.776 3.168 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.389 10.312 2.674 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.218 9.788 4.404 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.454 8.582 5.467 1.00 1.17 H new ATOM 0 HG23 THR A 90 -15.537 10.015 4.943 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.101 6.761 1.581 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.992 5.664 0.635 1.00 0.64 C ATOM 1102 C LYS A 91 -12.895 4.697 1.057 1.00 0.63 C ATOM 1103 O LYS A 91 -13.066 3.482 0.982 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.682 6.179 -0.770 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.722 7.126 -1.336 1.00 1.06 C ATOM 1106 CD LYS A 91 -14.368 7.536 -2.754 1.00 1.51 C ATOM 1107 CE LYS A 91 -15.348 8.555 -3.303 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.081 8.865 -4.732 1.00 2.41 N ATOM 0 H LYS A 91 -13.943 7.684 1.178 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.952 5.147 0.625 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.718 6.687 -0.753 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.581 5.327 -1.442 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.700 6.646 -1.326 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.795 8.012 -0.705 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -13.361 7.953 -2.772 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -14.360 6.655 -3.396 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -16.364 8.175 -3.197 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.287 9.471 -2.715 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.772 9.565 -5.070 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -14.120 9.251 -4.830 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -15.164 7.996 -5.297 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.778 5.250 1.514 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.621 4.455 1.882 1.00 0.67 C ATOM 1124 C ALA A 92 -10.884 3.685 3.165 1.00 0.68 C ATOM 1125 O ALA A 92 -10.510 2.521 3.285 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.393 5.340 2.036 1.00 0.74 C ATOM 0 H ALA A 92 -11.652 6.255 1.638 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.433 3.737 1.084 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.535 4.727 2.312 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.189 5.846 1.093 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.574 6.082 2.814 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.547 4.335 4.113 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.833 3.716 5.398 1.00 0.71 C ATOM 1134 C LYS A 93 -12.846 2.587 5.236 1.00 0.70 C ATOM 1135 O LYS A 93 -12.713 1.524 5.848 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.359 4.749 6.396 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.569 4.178 7.788 1.00 1.09 C ATOM 1138 CD LYS A 93 -13.178 5.196 8.734 1.00 1.56 C ATOM 1139 CE LYS A 93 -13.324 4.628 10.136 1.00 2.00 C ATOM 1140 NZ LYS A 93 -14.098 3.356 10.152 1.00 2.44 N ATOM 0 H LYS A 93 -11.896 5.289 4.015 1.00 0.64 H new ATOM 0 HA LYS A 93 -10.902 3.302 5.785 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.657 5.581 6.453 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.303 5.153 6.029 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.219 3.305 7.728 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -11.614 3.837 8.188 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -12.552 6.088 8.764 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -14.155 5.504 8.361 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -12.335 4.454 10.560 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -13.820 5.361 10.773 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -14.361 3.122 11.131 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -14.959 3.466 9.579 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -13.515 2.590 9.758 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.857 2.825 4.411 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.864 1.814 4.135 1.00 0.71 C ATOM 1156 C LYS A 94 -14.258 0.665 3.338 1.00 0.67 C ATOM 1157 O LYS A 94 -14.480 -0.506 3.650 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.040 2.422 3.371 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.139 1.421 3.071 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.267 2.047 2.275 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.299 1.009 1.868 1.00 2.57 C ATOM 1162 NZ LYS A 94 -18.696 -0.091 1.067 1.00 2.85 N ATOM 0 H LYS A 94 -14.000 3.709 3.923 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.231 1.427 5.086 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.456 3.245 3.952 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.677 2.845 2.434 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.724 0.581 2.514 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.532 1.021 4.006 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.746 2.825 2.869 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.863 2.529 1.385 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -19.767 0.593 2.760 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -20.088 1.489 1.289 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -19.450 -0.633 0.599 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -18.061 0.311 0.348 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -18.155 -0.720 1.694 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.472 1.008 2.322 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.797 0.004 1.507 1.00 0.60 C ATOM 1178 C ALA A 95 -11.883 -0.850 2.370 1.00 0.57 C ATOM 1179 O ALA A 95 -11.788 -2.055 2.175 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.003 0.661 0.388 1.00 0.63 C ATOM 0 H ALA A 95 -13.287 1.972 2.044 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.556 -0.637 1.058 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.508 -0.107 -0.207 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.677 1.234 -0.248 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.254 1.327 0.816 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.232 -0.212 3.337 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.350 -0.906 4.267 1.00 0.58 C ATOM 1188 C ALA A 96 -11.109 -1.948 5.073 1.00 0.56 C ATOM 1189 O ALA A 96 -10.552 -2.971 5.457 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.687 0.087 5.208 1.00 0.64 C ATOM 0 H ALA A 96 -11.300 0.793 3.497 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.584 -1.415 3.681 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.031 -0.446 5.897 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.102 0.801 4.629 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.452 0.619 5.774 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.385 -1.685 5.319 1.00 0.57 N ATOM 1197 CA GLU A 97 -13.201 -2.578 6.122 1.00 0.63 C ATOM 1198 C GLU A 97 -13.550 -3.834 5.331 1.00 0.55 C ATOM 1199 O GLU A 97 -13.384 -4.954 5.819 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.472 -1.864 6.581 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.072 -2.468 7.835 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.062 -2.524 8.960 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -13.545 -3.624 9.246 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -13.752 -1.462 9.542 1.00 2.39 O ATOM 0 H GLU A 97 -12.875 -0.860 4.973 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.632 -2.873 7.003 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.246 -0.813 6.763 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -15.210 -1.897 5.780 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.934 -1.879 8.147 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -15.434 -3.473 7.619 1.00 1.46 H new ATOM 1211 N GLU A 98 -14.021 -3.646 4.104 1.00 0.55 N ATOM 1212 CA GLU A 98 -14.332 -4.770 3.229 1.00 0.57 C ATOM 1213 C GLU A 98 -13.058 -5.508 2.825 1.00 0.52 C ATOM 1214 O GLU A 98 -13.028 -6.738 2.765 1.00 0.60 O ATOM 1215 CB GLU A 98 -15.076 -4.305 1.970 1.00 0.66 C ATOM 1216 CG GLU A 98 -16.565 -4.050 2.173 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.867 -2.793 2.962 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -16.983 -1.716 2.341 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -17.020 -2.883 4.198 1.00 2.66 O ATOM 0 H GLU A 98 -14.196 -2.729 3.693 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.979 -5.448 3.786 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.610 -3.390 1.605 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.952 -5.058 1.191 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -17.049 -3.981 1.199 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -17.004 -4.905 2.687 1.00 1.40 H new ATOM 1226 N ALA A 99 -12.004 -4.750 2.568 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.749 -5.313 2.093 1.00 0.49 C ATOM 1228 C ALA A 99 -9.933 -5.923 3.225 1.00 0.46 C ATOM 1229 O ALA A 99 -8.979 -6.656 2.977 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.936 -4.253 1.373 1.00 0.58 C ATOM 0 H ALA A 99 -11.993 -3.736 2.681 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.994 -6.115 1.396 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -9.000 -4.688 1.023 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.502 -3.877 0.521 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.721 -3.432 2.057 1.00 0.58 H new ATOM 1236 N ARG A 100 -10.310 -5.623 4.465 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.592 -6.128 5.635 1.00 0.53 C ATOM 1238 C ARG A 100 -9.517 -7.653 5.601 1.00 0.51 C ATOM 1239 O ARG A 100 -8.564 -8.256 6.101 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.279 -5.672 6.927 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.380 -5.750 8.152 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.133 -5.429 9.437 1.00 1.52 C ATOM 1243 NE ARG A 100 -10.812 -4.130 9.389 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.235 -2.964 9.685 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -8.944 -2.908 9.988 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -10.956 -1.850 9.679 1.00 3.77 N ATOM 0 H ARG A 100 -11.111 -5.031 4.687 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.580 -5.723 5.611 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.623 -4.645 6.803 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.163 -6.286 7.095 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -8.951 -6.750 8.224 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.549 -5.054 8.036 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.868 -6.211 9.627 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.435 -5.438 10.274 1.00 1.52 H new ATOM 0 HE ARG A 100 -11.793 -4.117 9.110 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -8.385 -3.761 9.996 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -8.511 -2.012 10.213 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -11.949 -1.886 9.448 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -10.517 -0.957 9.905 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.515 -8.265 4.971 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.597 -9.716 4.862 1.00 0.58 C ATOM 1262 C LYS A 101 -9.482 -10.265 3.973 1.00 0.63 C ATOM 1263 O LYS A 101 -9.164 -11.451 4.021 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.959 -10.120 4.292 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.140 -9.518 5.039 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.150 -9.932 6.502 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.344 -9.347 7.239 1.00 2.63 C ATOM 1268 NZ LYS A 101 -15.634 -9.877 6.726 1.00 3.24 N ATOM 0 H LYS A 101 -11.287 -7.770 4.523 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.479 -10.139 5.860 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.009 -9.816 3.246 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.043 -11.207 4.313 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -13.099 -8.431 4.969 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -14.069 -9.834 4.565 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.174 -11.019 6.573 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -12.228 -9.602 6.981 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.258 -9.571 8.302 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.334 -8.262 7.140 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -16.401 -9.615 7.378 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -15.826 -9.474 5.787 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.579 -10.913 6.654 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.888 -9.393 3.169 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.820 -9.790 2.263 1.00 0.71 C ATOM 1284 C TRP A 102 -6.455 -9.500 2.871 1.00 0.64 C ATOM 1285 O TRP A 102 -5.428 -9.625 2.202 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.967 -9.077 0.919 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.192 -9.496 0.172 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -10.253 -8.713 -0.180 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.490 -10.815 -0.294 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -11.188 -9.465 -0.849 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.742 -10.758 -0.930 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -8.814 -12.038 -0.241 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.334 -11.877 -1.504 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -9.403 -13.148 -0.812 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -10.651 -13.061 -1.436 1.00 2.21 C ATOM 0 H TRP A 102 -9.129 -8.403 3.126 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.897 -10.865 2.098 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.999 -8.000 1.086 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.087 -9.279 0.308 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.344 -7.659 0.035 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -12.070 -9.117 -1.224 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -7.849 -12.113 0.238 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.298 -11.814 -1.986 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -8.892 -14.099 -0.776 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -11.086 -13.947 -1.874 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.465 -9.113 4.145 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.242 -8.861 4.908 1.00 0.64 C ATOM 1308 C ASN A 103 -4.495 -7.646 4.360 1.00 0.56 C ATOM 1309 O ASN A 103 -3.264 -7.601 4.348 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.333 -10.100 4.903 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.246 -10.043 5.964 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.441 -9.480 7.046 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -2.096 -10.620 5.660 1.00 2.00 N ATOM 0 H ASN A 103 -7.321 -8.965 4.679 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.527 -8.647 5.938 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.941 -10.991 5.061 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.870 -10.200 3.921 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -1.328 -10.611 6.331 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -1.977 -11.074 4.755 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.251 -6.660 3.896 1.00 0.46 N ATOM 1321 CA VAL A 104 -4.668 -5.404 3.453 1.00 0.45 C ATOM 1322 C VAL A 104 -4.933 -4.317 4.492 1.00 0.48 C ATOM 1323 O VAL A 104 -6.017 -4.253 5.077 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.198 -4.969 2.067 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -6.699 -4.778 2.090 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -4.509 -3.698 1.598 1.00 0.99 C ATOM 0 H VAL A 104 -6.267 -6.707 3.817 1.00 0.46 H new ATOM 0 HA VAL A 104 -3.594 -5.555 3.349 1.00 0.45 H new ATOM 0 HB VAL A 104 -4.969 -5.767 1.361 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -7.042 -4.472 1.102 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -7.181 -5.715 2.368 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -6.957 -4.008 2.818 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -4.899 -3.412 0.621 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.698 -2.897 2.313 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -3.436 -3.872 1.524 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.932 -3.484 4.740 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.010 -2.490 5.801 1.00 0.48 C ATOM 1338 C ARG A 105 -3.672 -1.105 5.266 1.00 0.44 C ATOM 1339 O ARG A 105 -2.672 -0.928 4.566 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.055 -2.889 6.926 1.00 0.59 C ATOM 1341 CG ARG A 105 -3.251 -4.331 7.364 1.00 1.28 C ATOM 1342 CD ARG A 105 -2.046 -4.884 8.100 1.00 1.72 C ATOM 1343 NE ARG A 105 -2.111 -6.342 8.184 1.00 2.38 N ATOM 1344 CZ ARG A 105 -1.086 -7.125 8.519 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.065 -6.597 8.913 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -1.223 -8.443 8.480 1.00 4.06 N ATOM 0 H ARG A 105 -3.055 -3.477 4.220 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.028 -2.451 6.190 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.026 -2.749 6.593 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.206 -2.228 7.780 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -4.127 -4.395 8.009 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -3.453 -4.949 6.489 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.132 -4.586 7.586 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -2.001 -4.459 9.103 1.00 1.72 H new ATOM 0 HE ARG A 105 -3.002 -6.791 7.972 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.171 -5.584 8.962 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.844 -7.204 9.167 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -2.111 -8.855 8.194 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.440 -9.045 8.736 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.513 -0.130 5.590 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.344 1.229 5.093 1.00 0.48 C ATOM 1362 C VAL A 106 -3.606 2.090 6.109 1.00 0.50 C ATOM 1363 O VAL A 106 -4.027 2.205 7.262 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.701 1.896 4.771 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.496 3.233 4.073 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.572 0.979 3.927 1.00 1.58 C ATOM 0 H VAL A 106 -5.322 -0.257 6.198 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.760 1.155 4.175 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.216 2.079 5.714 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.465 3.683 3.857 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.924 3.897 4.720 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.952 3.077 3.141 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.521 1.472 3.715 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.062 0.754 2.990 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.758 0.053 4.470 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.506 2.686 5.676 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.742 3.596 6.517 1.00 0.58 C ATOM 1378 C ARG A 107 -1.461 4.884 5.752 1.00 0.49 C ATOM 1379 O ARG A 107 -1.236 4.857 4.540 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.429 2.947 6.970 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.625 1.678 7.786 1.00 1.02 C ATOM 1382 CD ARG A 107 0.701 1.050 8.181 1.00 0.90 C ATOM 1383 NE ARG A 107 0.510 -0.185 8.942 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.443 -1.122 9.103 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.648 -0.965 8.567 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.166 -2.216 9.801 1.00 3.00 N ATOM 0 H ARG A 107 -2.120 2.555 4.741 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.328 3.827 7.407 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.173 2.715 6.092 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.136 3.666 7.563 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -1.200 1.908 8.683 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -1.209 0.961 7.209 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.285 0.839 7.285 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.276 1.759 8.776 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.399 -0.339 9.379 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.862 -0.125 8.030 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.360 -1.685 8.693 1.00 2.26 H new ATOM 0 HH21 ARG A 107 0.241 -2.338 10.213 1.00 3.00 H new ATOM 0 HH22 ARG A 107 1.878 -2.935 9.926 1.00 3.00 H new ATOM 1400 N THR A 108 -1.493 6.006 6.451 1.00 0.56 N ATOM 1401 CA THR A 108 -1.265 7.297 5.823 1.00 0.51 C ATOM 1402 C THR A 108 0.171 7.757 6.053 1.00 0.52 C ATOM 1403 O THR A 108 0.639 7.818 7.191 1.00 0.66 O ATOM 1404 CB THR A 108 -2.241 8.358 6.371 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.587 7.867 6.285 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.125 9.663 5.595 1.00 0.68 C ATOM 0 H THR A 108 -1.675 6.049 7.454 1.00 0.56 H new ATOM 0 HA THR A 108 -1.438 7.181 4.753 1.00 0.51 H new ATOM 0 HB THR A 108 -1.984 8.553 7.412 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.205 8.542 6.635 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.825 10.392 6.003 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.109 10.048 5.680 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.359 9.484 4.545 1.00 0.68 H new ATOM 1414 N VAL A 109 0.868 8.070 4.972 1.00 0.47 N ATOM 1415 CA VAL A 109 2.242 8.537 5.057 1.00 0.55 C ATOM 1416 C VAL A 109 2.384 9.890 4.370 1.00 0.57 C ATOM 1417 O VAL A 109 1.702 10.175 3.385 1.00 0.62 O ATOM 1418 CB VAL A 109 3.235 7.525 4.436 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.256 6.234 5.237 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.891 7.238 2.982 1.00 1.05 C ATOM 0 H VAL A 109 0.502 8.009 4.022 1.00 0.47 H new ATOM 0 HA VAL A 109 2.486 8.638 6.114 1.00 0.55 H new ATOM 0 HB VAL A 109 4.228 7.972 4.468 1.00 0.67 H new ATOM 0 HG11 VAL A 109 3.960 5.536 4.784 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.563 6.446 6.261 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.260 5.792 5.241 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.606 6.524 2.573 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.886 6.820 2.921 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.934 8.164 2.408 1.00 1.05 H new ATOM 1430 N THR A 110 3.250 10.730 4.908 1.00 0.70 N ATOM 1431 CA THR A 110 3.451 12.062 4.367 1.00 0.84 C ATOM 1432 C THR A 110 4.886 12.248 3.884 1.00 0.84 C ATOM 1433 O THR A 110 5.136 12.901 2.868 1.00 0.97 O ATOM 1434 CB THR A 110 3.103 13.146 5.412 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.819 12.921 6.638 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.608 13.164 5.698 1.00 1.45 C ATOM 0 H THR A 110 3.826 10.513 5.721 1.00 0.70 H new ATOM 0 HA THR A 110 2.780 12.172 3.515 1.00 0.84 H new ATOM 0 HB THR A 110 3.398 14.110 4.997 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.347 12.099 6.562 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.388 13.935 6.436 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.064 13.377 4.778 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.300 12.193 6.085 1.00 1.45 H new ATOM 1444 N SER A 111 5.824 11.656 4.606 1.00 0.79 N ATOM 1445 CA SER A 111 7.232 11.776 4.276 1.00 0.85 C ATOM 1446 C SER A 111 7.812 10.410 3.900 1.00 0.76 C ATOM 1447 O SER A 111 7.338 9.375 4.373 1.00 0.69 O ATOM 1448 CB SER A 111 7.979 12.370 5.469 1.00 0.96 C ATOM 1449 OG SER A 111 7.361 13.571 5.904 1.00 1.52 O ATOM 0 H SER A 111 5.632 11.085 5.429 1.00 0.79 H new ATOM 0 HA SER A 111 7.347 12.436 3.417 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.999 11.649 6.287 1.00 0.96 H new ATOM 0 HB3 SER A 111 9.015 12.568 5.193 1.00 0.96 H new ATOM 0 HG SER A 111 7.854 13.934 6.669 1.00 1.52 H new ATOM 1455 N PRO A 112 8.844 10.396 3.029 1.00 0.82 N ATOM 1456 CA PRO A 112 9.488 9.159 2.561 1.00 0.80 C ATOM 1457 C PRO A 112 10.014 8.291 3.698 1.00 0.70 C ATOM 1458 O PRO A 112 10.017 7.065 3.597 1.00 0.74 O ATOM 1459 CB PRO A 112 10.652 9.653 1.695 1.00 0.95 C ATOM 1460 CG PRO A 112 10.280 11.038 1.292 1.00 1.05 C ATOM 1461 CD PRO A 112 9.447 11.595 2.412 1.00 0.97 C ATOM 0 HA PRO A 112 8.777 8.526 2.029 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.589 9.643 2.252 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.793 9.014 0.823 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.169 11.647 1.129 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.720 11.034 0.357 1.00 1.05 H new ATOM 0 HD2 PRO A 112 10.056 12.150 3.126 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.685 12.281 2.042 1.00 0.97 H new ATOM 1469 N ASP A 113 10.450 8.934 4.778 1.00 0.67 N ATOM 1470 CA ASP A 113 10.999 8.221 5.930 1.00 0.66 C ATOM 1471 C ASP A 113 9.962 7.281 6.535 1.00 0.59 C ATOM 1472 O ASP A 113 10.293 6.183 6.980 1.00 0.63 O ATOM 1473 CB ASP A 113 11.490 9.209 6.990 1.00 0.74 C ATOM 1474 CG ASP A 113 12.182 8.522 8.150 1.00 1.73 C ATOM 1475 OD1 ASP A 113 13.303 8.006 7.961 1.00 2.48 O ATOM 1476 OD2 ASP A 113 11.626 8.512 9.265 1.00 2.44 O ATOM 0 H ASP A 113 10.434 9.949 4.880 1.00 0.67 H new ATOM 0 HA ASP A 113 11.844 7.626 5.583 1.00 0.66 H new ATOM 0 HB2 ASP A 113 12.178 9.918 6.530 1.00 0.74 H new ATOM 0 HB3 ASP A 113 10.644 9.784 7.365 1.00 0.74 H new ATOM 1481 N GLU A 114 8.705 7.713 6.522 1.00 0.57 N ATOM 1482 CA GLU A 114 7.609 6.916 7.063 1.00 0.60 C ATOM 1483 C GLU A 114 7.370 5.683 6.201 1.00 0.52 C ATOM 1484 O GLU A 114 7.360 4.556 6.697 1.00 0.52 O ATOM 1485 CB GLU A 114 6.325 7.740 7.121 1.00 0.73 C ATOM 1486 CG GLU A 114 6.446 9.024 7.919 1.00 1.18 C ATOM 1487 CD GLU A 114 5.161 9.820 7.901 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.935 10.563 6.925 1.00 2.63 O ATOM 1489 OE2 GLU A 114 4.365 9.696 8.856 1.00 2.70 O ATOM 0 H GLU A 114 8.419 8.615 6.141 1.00 0.57 H new ATOM 0 HA GLU A 114 7.886 6.606 8.071 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.017 7.985 6.104 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.534 7.129 7.555 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.713 8.788 8.949 1.00 1.18 H new ATOM 0 HG3 GLU A 114 7.255 9.630 7.511 1.00 1.18 H new ATOM 1496 N ALA A 115 7.184 5.912 4.904 1.00 0.55 N ATOM 1497 CA ALA A 115 6.913 4.834 3.961 1.00 0.58 C ATOM 1498 C ALA A 115 8.043 3.812 3.967 1.00 0.51 C ATOM 1499 O ALA A 115 7.803 2.607 4.032 1.00 0.51 O ATOM 1500 CB ALA A 115 6.712 5.396 2.561 1.00 0.70 C ATOM 0 H ALA A 115 7.217 6.840 4.482 1.00 0.55 H new ATOM 0 HA ALA A 115 5.998 4.330 4.271 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.510 4.580 1.867 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.869 6.087 2.564 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.613 5.924 2.248 1.00 0.70 H new ATOM 1506 N LYS A 116 9.273 4.308 3.926 1.00 0.51 N ATOM 1507 CA LYS A 116 10.454 3.455 3.934 1.00 0.51 C ATOM 1508 C LYS A 116 10.510 2.631 5.219 1.00 0.44 C ATOM 1509 O LYS A 116 10.916 1.467 5.210 1.00 0.49 O ATOM 1510 CB LYS A 116 11.706 4.322 3.790 1.00 0.64 C ATOM 1511 CG LYS A 116 13.002 3.540 3.658 1.00 1.38 C ATOM 1512 CD LYS A 116 14.155 4.466 3.311 1.00 1.43 C ATOM 1513 CE LYS A 116 15.459 3.709 3.150 1.00 1.80 C ATOM 1514 NZ LYS A 116 16.516 4.567 2.557 1.00 2.33 N ATOM 0 H LYS A 116 9.479 5.306 3.887 1.00 0.51 H new ATOM 0 HA LYS A 116 10.404 2.761 3.095 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.591 4.961 2.915 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.779 4.979 4.657 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.215 3.020 4.592 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.896 2.778 2.886 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.928 4.998 2.387 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.265 5.217 4.093 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.790 3.341 4.121 1.00 1.80 H new ATOM 0 HE3 LYS A 116 15.299 2.837 2.516 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 17.330 3.979 2.288 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 16.142 5.046 1.713 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 16.817 5.278 3.254 1.00 2.33 H new ATOM 1528 N ARG A 117 10.076 3.241 6.315 1.00 0.42 N ATOM 1529 CA ARG A 117 10.035 2.573 7.607 1.00 0.44 C ATOM 1530 C ARG A 117 9.026 1.430 7.591 1.00 0.43 C ATOM 1531 O ARG A 117 9.345 0.304 7.977 1.00 0.50 O ATOM 1532 CB ARG A 117 9.670 3.577 8.704 1.00 0.57 C ATOM 1533 CG ARG A 117 9.584 2.974 10.098 1.00 0.90 C ATOM 1534 CD ARG A 117 10.906 2.365 10.528 1.00 1.39 C ATOM 1535 NE ARG A 117 11.994 3.342 10.509 1.00 1.99 N ATOM 1536 CZ ARG A 117 13.242 3.068 10.880 1.00 2.83 C ATOM 1537 NH1 ARG A 117 13.555 1.853 11.320 1.00 3.30 N ATOM 1538 NH2 ARG A 117 14.176 4.010 10.816 1.00 3.61 N ATOM 0 H ARG A 117 9.745 4.206 6.333 1.00 0.42 H new ATOM 0 HA ARG A 117 11.022 2.160 7.813 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.412 4.376 8.711 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.711 4.034 8.458 1.00 0.57 H new ATOM 0 HG2 ARG A 117 9.289 3.745 10.810 1.00 0.90 H new ATOM 0 HG3 ARG A 117 8.808 2.209 10.117 1.00 0.90 H new ATOM 0 HD2 ARG A 117 10.806 1.954 11.533 1.00 1.39 H new ATOM 0 HD3 ARG A 117 11.154 1.534 9.867 1.00 1.39 H new ATOM 0 HE ARG A 117 11.784 4.289 10.193 1.00 1.99 H new ATOM 0 HH11 ARG A 117 12.838 1.130 11.373 1.00 3.30 H new ATOM 0 HH12 ARG A 117 14.512 1.644 11.604 1.00 3.30 H new ATOM 0 HH21 ARG A 117 13.937 4.944 10.482 1.00 3.61 H new ATOM 0 HH22 ARG A 117 15.133 3.800 11.100 1.00 3.61 H new ATOM 1552 N TRP A 118 7.812 1.725 7.135 1.00 0.43 N ATOM 1553 CA TRP A 118 6.748 0.730 7.102 1.00 0.51 C ATOM 1554 C TRP A 118 7.120 -0.444 6.209 1.00 0.51 C ATOM 1555 O TRP A 118 6.928 -1.596 6.584 1.00 0.60 O ATOM 1556 CB TRP A 118 5.429 1.341 6.618 1.00 0.59 C ATOM 1557 CG TRP A 118 4.856 2.374 7.543 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.440 3.628 7.205 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.637 2.248 8.955 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.970 4.286 8.314 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.082 3.462 9.400 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.853 1.226 9.885 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 3.743 3.682 10.733 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.517 1.446 11.206 1.00 3.18 C ATOM 1565 CH2 TRP A 118 3.967 2.665 11.620 1.00 3.39 C ATOM 0 H TRP A 118 7.542 2.644 6.784 1.00 0.43 H new ATOM 0 HA TRP A 118 6.616 0.371 8.123 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.588 1.794 5.639 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.699 0.543 6.485 1.00 0.59 H new ATOM 0 HD1 TRP A 118 4.475 4.043 6.209 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.598 5.236 8.326 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.275 0.281 9.575 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.319 4.622 11.055 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 4.681 0.664 11.933 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.714 2.805 12.661 1.00 3.39 H new ATOM 1576 N ILE A 119 7.663 -0.146 5.035 1.00 0.48 N ATOM 1577 CA ILE A 119 8.017 -1.180 4.069 1.00 0.54 C ATOM 1578 C ILE A 119 9.067 -2.130 4.630 1.00 0.53 C ATOM 1579 O ILE A 119 8.869 -3.345 4.626 1.00 0.58 O ATOM 1580 CB ILE A 119 8.520 -0.563 2.746 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.397 0.239 2.085 1.00 0.67 C ATOM 1582 CG2 ILE A 119 9.028 -1.647 1.802 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.825 0.970 0.833 1.00 0.81 C ATOM 0 H ILE A 119 7.868 0.805 4.728 1.00 0.48 H new ATOM 0 HA ILE A 119 7.110 -1.749 3.865 1.00 0.54 H new ATOM 0 HB ILE A 119 9.350 0.107 2.968 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.578 -0.436 1.838 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.009 0.962 2.802 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.377 -1.189 0.877 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.851 -2.184 2.274 1.00 0.69 H new ATOM 0 HG23 ILE A 119 8.220 -2.344 1.580 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.976 1.515 0.422 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.623 1.671 1.076 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.185 0.251 0.097 1.00 0.81 H new ATOM 1595 N LYS A 120 10.168 -1.581 5.132 1.00 0.52 N ATOM 1596 CA LYS A 120 11.251 -2.404 5.655 1.00 0.57 C ATOM 1597 C LYS A 120 10.777 -3.225 6.852 1.00 0.56 C ATOM 1598 O LYS A 120 11.132 -4.394 6.997 1.00 0.61 O ATOM 1599 CB LYS A 120 12.450 -1.538 6.048 1.00 0.66 C ATOM 1600 CG LYS A 120 13.659 -2.344 6.507 1.00 1.08 C ATOM 1601 CD LYS A 120 14.220 -3.219 5.394 1.00 1.68 C ATOM 1602 CE LYS A 120 14.870 -2.393 4.291 1.00 2.25 C ATOM 1603 NZ LYS A 120 16.080 -1.675 4.773 1.00 2.76 N ATOM 0 H LYS A 120 10.333 -0.576 5.188 1.00 0.52 H new ATOM 0 HA LYS A 120 11.563 -3.089 4.867 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.737 -0.921 5.196 1.00 0.66 H new ATOM 0 HB3 LYS A 120 12.151 -0.859 6.847 1.00 0.66 H new ATOM 0 HG2 LYS A 120 14.435 -1.664 6.859 1.00 1.08 H new ATOM 0 HG3 LYS A 120 13.376 -2.971 7.353 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.954 -3.909 5.810 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.419 -3.824 4.970 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.142 -3.046 3.462 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.150 -1.671 3.906 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.622 -1.323 3.958 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.793 -0.874 5.371 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 16.672 -2.326 5.327 1.00 2.76 H new ATOM 1617 N GLU A 121 9.964 -2.611 7.702 1.00 0.56 N ATOM 1618 CA GLU A 121 9.396 -3.302 8.852 1.00 0.63 C ATOM 1619 C GLU A 121 8.474 -4.431 8.391 1.00 0.67 C ATOM 1620 O GLU A 121 8.572 -5.565 8.861 1.00 0.79 O ATOM 1621 CB GLU A 121 8.621 -2.310 9.724 1.00 0.71 C ATOM 1622 CG GLU A 121 8.069 -2.911 11.005 1.00 1.18 C ATOM 1623 CD GLU A 121 9.152 -3.505 11.879 1.00 1.87 C ATOM 1624 OE1 GLU A 121 9.177 -4.743 12.042 1.00 2.50 O ATOM 1625 OE2 GLU A 121 9.986 -2.736 12.401 1.00 2.57 O ATOM 0 H GLU A 121 9.683 -1.634 7.616 1.00 0.56 H new ATOM 0 HA GLU A 121 10.206 -3.734 9.439 1.00 0.63 H new ATOM 0 HB2 GLU A 121 9.277 -1.477 9.979 1.00 0.71 H new ATOM 0 HB3 GLU A 121 7.795 -1.899 9.143 1.00 0.71 H new ATOM 0 HG2 GLU A 121 7.537 -2.141 11.564 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.342 -3.684 10.756 1.00 1.18 H new ATOM 1632 N PHE A 122 7.607 -4.109 7.444 1.00 0.65 N ATOM 1633 CA PHE A 122 6.631 -5.053 6.911 1.00 0.76 C ATOM 1634 C PHE A 122 7.312 -6.212 6.181 1.00 0.78 C ATOM 1635 O PHE A 122 6.751 -7.301 6.079 1.00 0.89 O ATOM 1636 CB PHE A 122 5.690 -4.306 5.964 1.00 0.86 C ATOM 1637 CG PHE A 122 4.602 -5.142 5.357 1.00 1.36 C ATOM 1638 CD1 PHE A 122 4.603 -5.421 3.999 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.567 -5.630 6.137 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.594 -6.170 3.433 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.557 -6.385 5.576 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.570 -6.652 4.222 1.00 3.02 C ATOM 0 H PHE A 122 7.558 -3.182 7.020 1.00 0.65 H new ATOM 0 HA PHE A 122 6.066 -5.481 7.739 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.232 -3.481 6.509 1.00 0.86 H new ATOM 0 HB3 PHE A 122 6.281 -3.868 5.160 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.403 -5.047 3.378 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.550 -5.417 7.196 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.605 -6.379 2.374 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.758 -6.766 6.195 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.778 -7.239 3.780 1.00 3.02 H new ATOM 1652 N SER A 123 8.525 -5.967 5.694 1.00 0.72 N ATOM 1653 CA SER A 123 9.272 -6.959 4.926 1.00 0.79 C ATOM 1654 C SER A 123 9.524 -8.236 5.735 1.00 0.81 C ATOM 1655 O SER A 123 9.481 -9.342 5.187 1.00 1.02 O ATOM 1656 CB SER A 123 10.606 -6.365 4.467 1.00 0.82 C ATOM 1657 OG SER A 123 10.413 -5.221 3.655 1.00 1.40 O ATOM 0 H SER A 123 9.015 -5.081 5.819 1.00 0.72 H new ATOM 0 HA SER A 123 8.669 -7.228 4.059 1.00 0.79 H new ATOM 0 HB2 SER A 123 11.205 -6.098 5.337 1.00 0.82 H new ATOM 0 HB3 SER A 123 11.168 -7.116 3.912 1.00 0.82 H new ATOM 0 HG SER A 123 9.847 -4.576 4.128 1.00 1.40 H new ATOM 1663 N GLU A 124 9.767 -8.067 7.041 1.00 0.80 N ATOM 1664 CA GLU A 124 10.068 -9.176 7.961 1.00 1.00 C ATOM 1665 C GLU A 124 11.446 -9.779 7.692 1.00 1.48 C ATOM 1666 O GLU A 124 12.309 -9.788 8.574 1.00 2.09 O ATOM 1667 CB GLU A 124 9.002 -10.277 7.895 1.00 1.88 C ATOM 1668 CG GLU A 124 7.620 -9.829 8.335 1.00 2.61 C ATOM 1669 CD GLU A 124 6.580 -10.919 8.174 1.00 3.54 C ATOM 1670 OE1 GLU A 124 5.945 -10.990 7.100 1.00 4.12 O ATOM 1671 OE2 GLU A 124 6.383 -11.707 9.122 1.00 4.14 O ATOM 0 H GLU A 124 9.761 -7.153 7.493 1.00 0.80 H new ATOM 0 HA GLU A 124 10.065 -8.749 8.964 1.00 1.00 H new ATOM 0 HB2 GLU A 124 8.943 -10.650 6.872 1.00 1.88 H new ATOM 0 HB3 GLU A 124 9.318 -11.112 8.521 1.00 1.88 H new ATOM 0 HG2 GLU A 124 7.657 -9.518 9.379 1.00 2.61 H new ATOM 0 HG3 GLU A 124 7.321 -8.957 7.753 1.00 2.61 H new ATOM 1678 N GLU A 125 11.648 -10.280 6.481 1.00 2.33 N ATOM 1679 CA GLU A 125 12.897 -10.928 6.113 1.00 3.47 C ATOM 1680 C GLU A 125 13.927 -9.896 5.668 1.00 4.34 C ATOM 1681 O GLU A 125 14.041 -9.641 4.451 1.00 4.92 O ATOM 1682 CB GLU A 125 12.658 -11.954 5.002 1.00 4.25 C ATOM 1683 CG GLU A 125 11.708 -13.075 5.401 1.00 4.82 C ATOM 1684 CD GLU A 125 11.643 -14.180 4.367 1.00 5.68 C ATOM 1685 OE1 GLU A 125 12.512 -15.079 4.402 1.00 6.29 O ATOM 1686 OE2 GLU A 125 10.729 -14.158 3.515 1.00 6.07 O ATOM 1687 OXT GLU A 125 14.613 -9.328 6.545 1.00 4.84 O ATOM 0 H GLU A 125 10.956 -10.249 5.732 1.00 2.33 H new ATOM 0 HA GLU A 125 13.286 -11.447 6.989 1.00 3.47 H new ATOM 0 HB2 GLU A 125 12.256 -11.443 4.127 1.00 4.25 H new ATOM 0 HB3 GLU A 125 13.614 -12.387 4.707 1.00 4.25 H new ATOM 0 HG2 GLU A 125 12.027 -13.494 6.355 1.00 4.82 H new ATOM 0 HG3 GLU A 125 10.710 -12.664 5.551 1.00 4.82 H new TER 1694 GLU A 125