USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot -130:sc= -1.25 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.297 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0.0487 (180deg=-0.0587) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 78:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc= -1.09 (180deg=-1.34) USER MOD Single : A 29 SER OG : rot -99:sc= 0.13 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 105:sc= -1.58 USER MOD Single : A 37 THR OG1 : rot -20:sc= 0.782 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 CYS SG : rot 180:sc=-0.00292 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.4 (180deg=-1.17!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 120:sc= 0.362 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0.182 (180deg=0.182) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 15:sc= -6.93! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 82:sc= -8.89! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= -0.366 (180deg=-0.429) USER MOD Single : A 85 HIS : no HE2:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 86 TYR OH : rot 151:sc= 0.349! USER MOD Single : A 87 ASN :FLIP amide:sc= -1.76 F(o=-3.7!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.874 -13.887 -3.684 1.00 2.49 N ATOM 2 CA MET A 1 7.308 -12.564 -4.056 1.00 1.48 C ATOM 3 C MET A 1 5.870 -12.699 -4.550 1.00 1.01 C ATOM 4 O MET A 1 5.452 -13.771 -4.987 1.00 1.55 O ATOM 5 CB MET A 1 8.187 -11.951 -5.147 1.00 1.69 C ATOM 6 CG MET A 1 8.523 -10.489 -4.904 1.00 1.71 C ATOM 7 SD MET A 1 9.505 -10.241 -3.413 1.00 2.21 S ATOM 8 CE MET A 1 10.850 -11.387 -3.702 1.00 2.67 C ATOM 0 H1 MET A 1 8.852 -13.765 -3.352 1.00 2.49 H new ATOM 0 H2 MET A 1 7.301 -14.309 -2.926 1.00 2.49 H new ATOM 0 H3 MET A 1 7.866 -14.514 -4.514 1.00 2.49 H new ATOM 0 HA MET A 1 7.293 -11.919 -3.178 1.00 1.48 H new ATOM 0 HB2 MET A 1 9.113 -12.521 -5.220 1.00 1.69 H new ATOM 0 HB3 MET A 1 7.679 -12.044 -6.107 1.00 1.69 H new ATOM 0 HG2 MET A 1 9.068 -10.098 -5.763 1.00 1.71 H new ATOM 0 HG3 MET A 1 7.599 -9.916 -4.825 1.00 1.71 H new ATOM 0 HE1 MET A 1 11.730 -11.062 -3.148 1.00 2.67 H new ATOM 0 HE2 MET A 1 10.558 -12.383 -3.368 1.00 2.67 H new ATOM 0 HE3 MET A 1 11.082 -11.415 -4.767 1.00 2.67 H new ATOM 20 N GLU A 2 5.117 -11.607 -4.472 1.00 0.62 N ATOM 21 CA GLU A 2 3.725 -11.608 -4.909 1.00 0.43 C ATOM 22 C GLU A 2 3.123 -10.208 -4.843 1.00 0.39 C ATOM 23 O GLU A 2 1.960 -10.041 -4.474 1.00 0.56 O ATOM 24 CB GLU A 2 2.901 -12.568 -4.047 1.00 0.96 C ATOM 25 CG GLU A 2 3.307 -12.566 -2.583 1.00 1.73 C ATOM 26 CD GLU A 2 2.626 -13.665 -1.790 1.00 2.34 C ATOM 27 OE1 GLU A 2 1.599 -14.190 -2.267 1.00 2.59 O ATOM 28 OE2 GLU A 2 3.121 -13.998 -0.694 1.00 2.92 O ATOM 0 H GLU A 2 5.446 -10.712 -4.111 1.00 0.62 H new ATOM 0 HA GLU A 2 3.701 -11.942 -5.946 1.00 0.43 H new ATOM 0 HB2 GLU A 2 1.847 -12.300 -4.124 1.00 0.96 H new ATOM 0 HB3 GLU A 2 3.003 -13.578 -4.443 1.00 0.96 H new ATOM 0 HG2 GLU A 2 4.388 -12.685 -2.509 1.00 1.73 H new ATOM 0 HG3 GLU A 2 3.062 -11.599 -2.143 1.00 1.73 H new ATOM 35 N VAL A 3 3.914 -9.206 -5.211 1.00 0.37 N ATOM 36 CA VAL A 3 3.442 -7.825 -5.205 1.00 0.36 C ATOM 37 C VAL A 3 2.582 -7.553 -6.433 1.00 0.34 C ATOM 38 O VAL A 3 3.013 -7.781 -7.564 1.00 0.49 O ATOM 39 CB VAL A 3 4.605 -6.811 -5.166 1.00 0.46 C ATOM 40 CG1 VAL A 3 4.139 -5.492 -4.568 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.788 -7.366 -4.386 1.00 0.66 C ATOM 0 H VAL A 3 4.880 -9.322 -5.516 1.00 0.37 H new ATOM 0 HA VAL A 3 2.850 -7.697 -4.299 1.00 0.36 H new ATOM 0 HB VAL A 3 4.933 -6.631 -6.190 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.971 -4.788 -4.548 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.332 -5.082 -5.175 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.780 -5.659 -3.552 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.593 -6.631 -4.374 1.00 0.66 H new ATOM 0 HG22 VAL A 3 5.480 -7.583 -3.363 1.00 0.66 H new ATOM 0 HG23 VAL A 3 6.140 -8.282 -4.861 1.00 0.66 H new ATOM 51 N LYS A 4 1.360 -7.083 -6.207 1.00 0.29 N ATOM 52 CA LYS A 4 0.435 -6.826 -7.303 1.00 0.31 C ATOM 53 C LYS A 4 -0.192 -5.438 -7.203 1.00 0.30 C ATOM 54 O LYS A 4 -0.354 -4.892 -6.112 1.00 0.30 O ATOM 55 CB LYS A 4 -0.661 -7.900 -7.323 1.00 0.32 C ATOM 56 CG LYS A 4 -1.749 -7.709 -6.272 1.00 0.31 C ATOM 57 CD LYS A 4 -1.735 -8.827 -5.247 1.00 0.40 C ATOM 58 CE LYS A 4 -3.012 -8.843 -4.421 1.00 0.44 C ATOM 59 NZ LYS A 4 -4.184 -9.303 -5.217 1.00 1.09 N ATOM 0 H LYS A 4 0.989 -6.873 -5.280 1.00 0.29 H new ATOM 0 HA LYS A 4 1.002 -6.864 -8.233 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -1.124 -7.911 -8.310 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.199 -8.876 -7.177 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -1.607 -6.752 -5.770 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -2.724 -7.672 -6.758 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.616 -9.785 -5.754 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -0.876 -8.707 -4.588 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -2.879 -9.498 -3.560 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -3.206 -7.843 -4.034 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.978 -9.510 -4.578 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -4.464 -8.557 -5.886 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -3.930 -10.163 -5.744 1.00 1.09 H new ATOM 73 N ILE A 5 -0.570 -4.891 -8.353 1.00 0.31 N ATOM 74 CA ILE A 5 -1.233 -3.595 -8.408 1.00 0.33 C ATOM 75 C ILE A 5 -2.631 -3.748 -8.989 1.00 0.33 C ATOM 76 O ILE A 5 -2.793 -4.177 -10.131 1.00 0.42 O ATOM 77 CB ILE A 5 -0.448 -2.583 -9.260 1.00 0.45 C ATOM 78 CG1 ILE A 5 1.034 -2.604 -8.884 1.00 0.50 C ATOM 79 CG2 ILE A 5 -1.023 -1.186 -9.088 1.00 0.47 C ATOM 80 CD1 ILE A 5 1.286 -2.465 -7.399 1.00 0.80 C ATOM 0 H ILE A 5 -0.427 -5.328 -9.263 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.286 -3.217 -7.387 1.00 0.33 H new ATOM 0 HB ILE A 5 -0.541 -2.867 -10.308 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.475 -3.538 -9.233 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.544 -1.795 -9.407 1.00 0.50 H new ATOM 0 HG21 ILE A 5 -0.456 -0.482 -9.697 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -2.066 -1.181 -9.403 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -0.959 -0.893 -8.040 1.00 0.47 H new ATOM 0 HD11 ILE A 5 2.359 -2.488 -7.208 1.00 0.80 H new ATOM 0 HD12 ILE A 5 0.875 -1.518 -7.047 1.00 0.80 H new ATOM 0 HD13 ILE A 5 0.805 -3.288 -6.870 1.00 0.80 H new ATOM 92 N GLU A 6 -3.641 -3.419 -8.196 1.00 0.29 N ATOM 93 CA GLU A 6 -5.023 -3.567 -8.638 1.00 0.34 C ATOM 94 C GLU A 6 -5.918 -2.470 -8.072 1.00 0.31 C ATOM 95 O GLU A 6 -5.647 -1.918 -7.006 1.00 0.32 O ATOM 96 CB GLU A 6 -5.560 -4.938 -8.225 1.00 0.41 C ATOM 97 CG GLU A 6 -5.651 -5.928 -9.375 1.00 0.79 C ATOM 98 CD GLU A 6 -4.920 -7.225 -9.088 1.00 1.35 C ATOM 99 OE1 GLU A 6 -4.880 -7.635 -7.909 1.00 2.00 O ATOM 100 OE2 GLU A 6 -4.387 -7.832 -10.041 1.00 1.86 O ATOM 0 H GLU A 6 -3.533 -3.051 -7.251 1.00 0.29 H new ATOM 0 HA GLU A 6 -5.034 -3.480 -9.724 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -4.916 -5.353 -7.450 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -6.549 -4.814 -7.784 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -6.699 -6.144 -9.581 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -5.236 -5.473 -10.275 1.00 0.79 H new ATOM 107 N LYS A 7 -6.979 -2.150 -8.808 1.00 0.36 N ATOM 108 CA LYS A 7 -7.934 -1.138 -8.374 1.00 0.36 C ATOM 109 C LYS A 7 -9.270 -1.789 -8.011 1.00 0.37 C ATOM 110 O LYS A 7 -10.105 -2.028 -8.883 1.00 0.43 O ATOM 111 CB LYS A 7 -8.145 -0.102 -9.481 1.00 0.42 C ATOM 112 CG LYS A 7 -6.952 0.819 -9.687 1.00 0.51 C ATOM 113 CD LYS A 7 -6.709 1.092 -11.162 1.00 0.76 C ATOM 114 CE LYS A 7 -5.829 2.315 -11.367 1.00 1.18 C ATOM 115 NZ LYS A 7 -5.969 2.879 -12.739 1.00 1.91 N ATOM 0 H LYS A 7 -7.198 -2.578 -9.708 1.00 0.36 H new ATOM 0 HA LYS A 7 -7.533 -0.639 -7.492 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -8.360 -0.620 -10.416 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -9.021 0.500 -9.242 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -7.123 1.760 -9.165 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -6.062 0.368 -9.248 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -6.238 0.223 -11.621 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -7.663 1.241 -11.667 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -6.091 3.077 -10.633 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -4.788 2.046 -11.190 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -5.353 3.711 -12.837 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -5.695 2.161 -13.439 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -6.957 3.160 -12.900 1.00 1.91 H new ATOM 129 N PRO A 8 -9.513 -2.039 -6.711 1.00 0.35 N ATOM 130 CA PRO A 8 -10.737 -2.700 -6.252 1.00 0.39 C ATOM 131 C PRO A 8 -11.999 -2.012 -6.761 1.00 0.51 C ATOM 132 O PRO A 8 -12.186 -0.810 -6.577 1.00 0.72 O ATOM 133 CB PRO A 8 -10.658 -2.616 -4.718 1.00 0.44 C ATOM 134 CG PRO A 8 -9.475 -1.750 -4.412 1.00 0.60 C ATOM 135 CD PRO A 8 -8.575 -1.825 -5.606 1.00 0.33 C ATOM 0 HA PRO A 8 -10.800 -3.722 -6.626 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.571 -2.190 -4.303 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.540 -3.607 -4.279 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -9.785 -0.722 -4.223 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -8.961 -2.098 -3.516 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -8.000 -0.908 -5.736 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.858 -2.642 -5.521 1.00 0.33 H new ATOM 143 N THR A 9 -12.860 -2.793 -7.406 1.00 0.48 N ATOM 144 CA THR A 9 -14.115 -2.278 -7.943 1.00 0.63 C ATOM 145 C THR A 9 -15.233 -2.399 -6.913 1.00 0.87 C ATOM 146 O THR A 9 -15.182 -3.253 -6.028 1.00 1.46 O ATOM 147 CB THR A 9 -14.504 -3.028 -9.225 1.00 0.64 C ATOM 148 OG1 THR A 9 -15.889 -2.885 -9.487 1.00 1.47 O ATOM 149 CG2 THR A 9 -14.202 -4.510 -9.182 1.00 1.31 C ATOM 0 H THR A 9 -12.711 -3.789 -7.570 1.00 0.48 H new ATOM 0 HA THR A 9 -13.970 -1.224 -8.182 1.00 0.63 H new ATOM 0 HB THR A 9 -13.897 -2.577 -10.010 1.00 0.64 H new ATOM 0 HG1 THR A 9 -16.118 -3.368 -10.308 1.00 1.47 H new ATOM 0 HG21 THR A 9 -14.505 -4.970 -10.122 1.00 1.31 H new ATOM 0 HG22 THR A 9 -13.133 -4.659 -9.032 1.00 1.31 H new ATOM 0 HG23 THR A 9 -14.751 -4.969 -8.360 1.00 1.31 H new ATOM 157 N PRO A 10 -16.270 -1.550 -7.022 1.00 0.75 N ATOM 158 CA PRO A 10 -17.414 -1.570 -6.113 1.00 1.04 C ATOM 159 C PRO A 10 -17.851 -2.989 -5.763 1.00 0.88 C ATOM 160 O PRO A 10 -18.373 -3.238 -4.676 1.00 1.00 O ATOM 161 CB PRO A 10 -18.518 -0.839 -6.901 1.00 1.48 C ATOM 162 CG PRO A 10 -17.917 -0.485 -8.228 1.00 1.30 C ATOM 163 CD PRO A 10 -16.429 -0.512 -8.041 1.00 0.69 C ATOM 0 HA PRO A 10 -17.181 -1.102 -5.156 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -19.393 -1.476 -7.027 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -18.848 0.055 -6.372 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -18.225 -1.195 -8.995 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -18.249 0.500 -8.554 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -15.906 -0.763 -8.964 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -16.042 0.451 -7.707 1.00 0.69 H new ATOM 171 N GLU A 11 -17.622 -3.921 -6.684 1.00 0.71 N ATOM 172 CA GLU A 11 -17.985 -5.317 -6.467 1.00 0.78 C ATOM 173 C GLU A 11 -17.023 -5.984 -5.491 1.00 0.67 C ATOM 174 O GLU A 11 -17.444 -6.699 -4.583 1.00 0.75 O ATOM 175 CB GLU A 11 -17.991 -6.075 -7.796 1.00 0.84 C ATOM 176 CG GLU A 11 -19.106 -5.647 -8.735 1.00 1.27 C ATOM 177 CD GLU A 11 -18.828 -6.021 -10.178 1.00 2.11 C ATOM 178 OE1 GLU A 11 -17.721 -5.712 -10.667 1.00 2.59 O ATOM 179 OE2 GLU A 11 -19.715 -6.623 -10.817 1.00 2.71 O ATOM 0 H GLU A 11 -17.187 -3.734 -7.587 1.00 0.71 H new ATOM 0 HA GLU A 11 -18.986 -5.344 -6.036 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -17.032 -5.928 -8.293 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -18.086 -7.142 -7.596 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -20.041 -6.109 -8.417 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -19.243 -4.568 -8.663 1.00 1.27 H new ATOM 186 N LYS A 12 -15.728 -5.759 -5.689 1.00 0.56 N ATOM 187 CA LYS A 12 -14.716 -6.322 -4.807 1.00 0.53 C ATOM 188 C LYS A 12 -14.677 -5.555 -3.496 1.00 0.48 C ATOM 189 O LYS A 12 -14.356 -6.109 -2.446 1.00 0.50 O ATOM 190 CB LYS A 12 -13.343 -6.289 -5.480 1.00 0.53 C ATOM 191 CG LYS A 12 -13.038 -7.535 -6.295 1.00 0.86 C ATOM 192 CD LYS A 12 -12.146 -7.219 -7.484 1.00 0.66 C ATOM 193 CE LYS A 12 -10.779 -6.724 -7.038 1.00 0.83 C ATOM 194 NZ LYS A 12 -9.695 -7.670 -7.421 1.00 1.47 N ATOM 0 H LYS A 12 -15.357 -5.192 -6.451 1.00 0.56 H new ATOM 0 HA LYS A 12 -14.975 -7.360 -4.599 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.287 -5.416 -6.130 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -12.575 -6.167 -4.716 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -12.551 -8.276 -5.661 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -13.970 -7.979 -6.646 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -12.028 -8.111 -8.099 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -12.623 -6.462 -8.107 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -10.583 -5.748 -7.482 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -10.777 -6.588 -5.957 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -8.779 -7.297 -7.099 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -9.868 -8.594 -6.977 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -9.680 -7.781 -8.455 1.00 1.47 H new ATOM 208 N LEU A 13 -15.021 -4.274 -3.569 1.00 0.48 N ATOM 209 CA LEU A 13 -15.034 -3.410 -2.397 1.00 0.48 C ATOM 210 C LEU A 13 -15.991 -3.939 -1.333 1.00 0.51 C ATOM 211 O LEU A 13 -15.763 -3.762 -0.140 1.00 0.50 O ATOM 212 CB LEU A 13 -15.432 -1.989 -2.797 1.00 0.60 C ATOM 213 CG LEU A 13 -14.401 -1.255 -3.656 1.00 0.61 C ATOM 214 CD1 LEU A 13 -15.002 0.006 -4.255 1.00 0.93 C ATOM 215 CD2 LEU A 13 -13.166 -0.920 -2.834 1.00 0.71 C ATOM 0 H LEU A 13 -15.296 -3.810 -4.434 1.00 0.48 H new ATOM 0 HA LEU A 13 -14.029 -3.398 -1.975 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -16.375 -2.030 -3.341 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -15.611 -1.408 -1.892 1.00 0.60 H new ATOM 0 HG LEU A 13 -14.104 -1.913 -4.473 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -14.252 0.513 -4.862 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -15.856 -0.259 -4.879 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -15.329 0.669 -3.454 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -12.443 -0.398 -3.460 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -13.448 -0.282 -1.997 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.721 -1.840 -2.455 1.00 0.71 H new ATOM 227 N LYS A 14 -17.059 -4.593 -1.771 1.00 0.61 N ATOM 228 CA LYS A 14 -18.057 -5.124 -0.849 1.00 0.72 C ATOM 229 C LYS A 14 -17.444 -6.135 0.120 1.00 0.73 C ATOM 230 O LYS A 14 -17.648 -6.045 1.331 1.00 0.79 O ATOM 231 CB LYS A 14 -19.205 -5.769 -1.624 1.00 0.82 C ATOM 232 CG LYS A 14 -20.512 -5.003 -1.508 1.00 0.86 C ATOM 233 CD LYS A 14 -21.406 -5.233 -2.714 1.00 1.29 C ATOM 234 CE LYS A 14 -22.768 -4.585 -2.524 1.00 1.57 C ATOM 235 NZ LYS A 14 -23.607 -4.683 -3.750 1.00 2.01 N ATOM 0 H LYS A 14 -17.257 -4.769 -2.756 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.444 -4.290 -0.263 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -18.928 -5.844 -2.675 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.354 -6.786 -1.260 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -21.035 -5.311 -0.603 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -20.302 -3.938 -1.408 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -20.929 -4.827 -3.606 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -21.530 -6.303 -2.879 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -23.284 -5.063 -1.692 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -22.637 -3.536 -2.257 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -24.527 -4.229 -3.578 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -23.127 -4.204 -4.539 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -23.754 -5.684 -3.991 1.00 2.01 H new ATOM 249 N GLU A 15 -16.691 -7.092 -0.413 1.00 0.72 N ATOM 250 CA GLU A 15 -16.062 -8.117 0.419 1.00 0.79 C ATOM 251 C GLU A 15 -14.851 -7.556 1.162 1.00 0.73 C ATOM 252 O GLU A 15 -14.642 -7.843 2.340 1.00 0.77 O ATOM 253 CB GLU A 15 -15.637 -9.311 -0.439 1.00 0.85 C ATOM 254 CG GLU A 15 -16.682 -10.412 -0.511 1.00 1.40 C ATOM 255 CD GLU A 15 -16.634 -11.342 0.687 1.00 1.73 C ATOM 256 OE1 GLU A 15 -15.540 -11.863 0.989 1.00 2.35 O ATOM 257 OE2 GLU A 15 -17.689 -11.549 1.321 1.00 1.86 O ATOM 0 H GLU A 15 -16.501 -7.181 -1.411 1.00 0.72 H new ATOM 0 HA GLU A 15 -16.795 -8.447 1.155 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -15.418 -8.963 -1.448 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -14.712 -9.725 -0.037 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -17.673 -9.963 -0.578 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -16.532 -10.991 -1.422 1.00 1.40 H new ATOM 264 N LEU A 16 -14.057 -6.760 0.456 1.00 0.68 N ATOM 265 CA LEU A 16 -12.858 -6.152 1.026 1.00 0.64 C ATOM 266 C LEU A 16 -13.159 -4.781 1.632 1.00 0.55 C ATOM 267 O LEU A 16 -12.249 -3.967 1.797 1.00 0.51 O ATOM 268 CB LEU A 16 -11.759 -6.032 -0.031 1.00 0.68 C ATOM 269 CG LEU A 16 -12.043 -5.031 -1.149 1.00 0.99 C ATOM 270 CD1 LEU A 16 -11.356 -3.704 -0.866 1.00 1.54 C ATOM 271 CD2 LEU A 16 -11.598 -5.592 -2.491 1.00 1.21 C ATOM 0 H LEU A 16 -14.223 -6.518 -0.521 1.00 0.68 H new ATOM 0 HA LEU A 16 -12.508 -6.805 1.826 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -10.830 -5.747 0.463 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -11.595 -7.014 -0.476 1.00 0.68 H new ATOM 0 HG LEU A 16 -13.118 -4.856 -1.190 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -11.570 -3.004 -1.674 1.00 1.54 H new ATOM 0 HD12 LEU A 16 -11.725 -3.296 0.075 1.00 1.54 H new ATOM 0 HD13 LEU A 16 -10.279 -3.859 -0.796 1.00 1.54 H new ATOM 0 HD21 LEU A 16 -11.808 -4.866 -3.276 1.00 1.21 H new ATOM 0 HD22 LEU A 16 -10.528 -5.797 -2.463 1.00 1.21 H new ATOM 0 HD23 LEU A 16 -12.139 -6.516 -2.697 1.00 1.21 H new ATOM 283 N SER A 17 -14.450 -4.510 1.889 1.00 0.55 N ATOM 284 CA SER A 17 -14.919 -3.219 2.420 1.00 0.51 C ATOM 285 C SER A 17 -13.854 -2.484 3.224 1.00 0.44 C ATOM 286 O SER A 17 -13.736 -2.652 4.438 1.00 0.47 O ATOM 287 CB SER A 17 -16.153 -3.444 3.297 1.00 0.57 C ATOM 288 OG SER A 17 -17.235 -3.952 2.535 1.00 0.72 O ATOM 0 H SER A 17 -15.200 -5.183 1.734 1.00 0.55 H new ATOM 0 HA SER A 17 -15.164 -2.592 1.563 1.00 0.51 H new ATOM 0 HB2 SER A 17 -15.911 -4.141 4.099 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.445 -2.505 3.767 1.00 0.57 H new ATOM 0 HG SER A 17 -17.099 -4.908 2.371 1.00 0.72 H new ATOM 294 N VAL A 18 -13.077 -1.671 2.516 1.00 0.41 N ATOM 295 CA VAL A 18 -12.022 -0.881 3.129 1.00 0.39 C ATOM 296 C VAL A 18 -12.599 0.145 4.094 1.00 0.41 C ATOM 297 O VAL A 18 -11.941 0.570 5.042 1.00 0.63 O ATOM 298 CB VAL A 18 -11.183 -0.159 2.062 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.079 0.651 2.714 1.00 1.10 C ATOM 300 CG2 VAL A 18 -10.612 -1.160 1.072 1.00 0.52 C ATOM 0 H VAL A 18 -13.162 -1.543 1.508 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.381 -1.569 3.681 1.00 0.39 H new ATOM 0 HB VAL A 18 -11.829 0.529 1.516 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -9.495 1.156 1.944 1.00 1.10 H new ATOM 0 HG12 VAL A 18 -10.518 1.393 3.381 1.00 1.10 H new ATOM 0 HG13 VAL A 18 -9.430 -0.012 3.286 1.00 1.10 H new ATOM 0 HG21 VAL A 18 -10.021 -0.634 0.323 1.00 0.52 H new ATOM 0 HG22 VAL A 18 -9.978 -1.873 1.600 1.00 0.52 H new ATOM 0 HG23 VAL A 18 -11.427 -1.693 0.582 1.00 0.52 H new ATOM 310 N GLU A 19 -13.841 0.524 3.843 1.00 0.44 N ATOM 311 CA GLU A 19 -14.553 1.481 4.678 1.00 0.47 C ATOM 312 C GLU A 19 -14.351 1.194 6.166 1.00 0.44 C ATOM 313 O GLU A 19 -14.305 2.110 6.986 1.00 0.53 O ATOM 314 CB GLU A 19 -16.040 1.395 4.353 1.00 0.51 C ATOM 315 CG GLU A 19 -16.554 -0.036 4.361 1.00 0.50 C ATOM 316 CD GLU A 19 -18.003 -0.144 3.927 1.00 0.81 C ATOM 317 OE1 GLU A 19 -18.688 0.900 3.880 1.00 1.39 O ATOM 318 OE2 GLU A 19 -18.454 -1.271 3.638 1.00 1.36 O ATOM 0 H GLU A 19 -14.386 0.177 3.054 1.00 0.44 H new ATOM 0 HA GLU A 19 -14.162 2.477 4.472 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.602 1.984 5.078 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -16.221 1.838 3.374 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -15.936 -0.643 3.700 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -16.448 -0.449 5.364 1.00 0.50 H new ATOM 325 N LYS A 20 -14.273 -0.088 6.504 1.00 0.38 N ATOM 326 CA LYS A 20 -14.128 -0.513 7.898 1.00 0.38 C ATOM 327 C LYS A 20 -12.666 -0.501 8.350 1.00 0.34 C ATOM 328 O LYS A 20 -12.374 -0.756 9.519 1.00 0.39 O ATOM 329 CB LYS A 20 -14.711 -1.923 8.102 1.00 0.42 C ATOM 330 CG LYS A 20 -15.687 -2.368 7.017 1.00 0.51 C ATOM 331 CD LYS A 20 -16.364 -3.680 7.371 1.00 0.54 C ATOM 332 CE LYS A 20 -17.870 -3.594 7.180 1.00 1.69 C ATOM 333 NZ LYS A 20 -18.612 -4.037 8.392 1.00 2.00 N ATOM 0 H LYS A 20 -14.308 -0.855 5.833 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.682 0.203 8.505 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -13.890 -2.638 8.150 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -15.219 -1.956 9.066 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -16.443 -1.597 6.870 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -15.155 -2.477 6.072 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -15.961 -4.479 6.748 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -16.141 -3.939 8.406 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -18.147 -2.567 6.940 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -18.163 -4.210 6.330 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -19.635 -3.963 8.219 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -18.368 -5.025 8.607 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -18.352 -3.433 9.198 1.00 2.00 H new ATOM 347 N TRP A 21 -11.750 -0.225 7.427 1.00 0.31 N ATOM 348 CA TRP A 21 -10.328 -0.219 7.746 1.00 0.32 C ATOM 349 C TRP A 21 -9.871 1.169 8.187 1.00 0.31 C ATOM 350 O TRP A 21 -10.346 2.179 7.667 1.00 0.39 O ATOM 351 CB TRP A 21 -9.509 -0.663 6.529 1.00 0.35 C ATOM 352 CG TRP A 21 -10.037 -1.889 5.837 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.147 -2.620 6.167 1.00 0.34 C ATOM 354 CD2 TRP A 21 -9.477 -2.522 4.676 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.312 -3.658 5.283 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.305 -3.616 4.356 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.375 -2.250 3.859 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.052 -4.449 3.269 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.127 -3.077 2.778 1.00 0.44 C ATOM 360 CH2 TRP A 21 -8.959 -4.168 2.495 1.00 0.46 C ATOM 0 H TRP A 21 -11.967 -0.003 6.455 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.167 -0.917 8.567 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.474 0.157 5.812 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.484 -0.853 6.846 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -11.799 -2.410 7.002 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.063 -4.348 5.312 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -7.729 -1.410 4.068 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -10.695 -5.287 3.045 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -7.278 -2.878 2.141 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -8.733 -4.800 1.649 1.00 0.46 H new ATOM 371 N PRO A 22 -8.921 1.241 9.138 1.00 0.34 N ATOM 372 CA PRO A 22 -8.382 2.516 9.619 1.00 0.39 C ATOM 373 C PRO A 22 -7.902 3.392 8.472 1.00 0.34 C ATOM 374 O PRO A 22 -8.121 3.075 7.303 1.00 0.48 O ATOM 375 CB PRO A 22 -7.197 2.117 10.510 1.00 0.51 C ATOM 376 CG PRO A 22 -6.975 0.662 10.265 1.00 0.42 C ATOM 377 CD PRO A 22 -8.289 0.097 9.804 1.00 0.45 C ATOM 0 HA PRO A 22 -9.138 3.098 10.146 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -6.308 2.696 10.260 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -7.416 2.308 11.561 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -6.202 0.510 9.511 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -6.637 0.164 11.173 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -8.151 -0.742 9.122 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.888 -0.266 10.639 1.00 0.45 H new ATOM 385 N ILE A 23 -7.239 4.492 8.808 1.00 0.38 N ATOM 386 CA ILE A 23 -6.733 5.405 7.793 1.00 0.36 C ATOM 387 C ILE A 23 -5.343 5.921 8.151 1.00 0.31 C ATOM 388 O ILE A 23 -5.012 6.084 9.324 1.00 0.32 O ATOM 389 CB ILE A 23 -7.677 6.609 7.589 1.00 0.47 C ATOM 390 CG1 ILE A 23 -9.140 6.180 7.730 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.438 7.245 6.229 1.00 0.97 C ATOM 392 CD1 ILE A 23 -9.592 5.215 6.657 1.00 1.60 C ATOM 0 H ILE A 23 -7.041 4.771 9.769 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.678 4.835 6.865 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.462 7.348 8.361 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.282 5.717 8.707 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -9.774 7.066 7.701 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.111 8.092 6.100 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -6.406 7.589 6.164 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -7.626 6.510 5.446 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -10.638 4.954 6.819 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.482 5.682 5.678 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -8.982 4.312 6.699 1.00 1.60 H new ATOM 404 N TRP A 24 -4.540 6.190 7.126 1.00 0.31 N ATOM 405 CA TRP A 24 -3.191 6.708 7.322 1.00 0.31 C ATOM 406 C TRP A 24 -3.025 8.043 6.605 1.00 0.31 C ATOM 407 O TRP A 24 -3.858 8.418 5.780 1.00 0.44 O ATOM 408 CB TRP A 24 -2.152 5.708 6.810 1.00 0.38 C ATOM 409 CG TRP A 24 -0.878 5.726 7.599 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.746 5.536 8.944 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.443 5.949 7.091 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.577 5.626 9.305 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.327 5.879 8.186 1.00 0.51 C ATOM 414 CE3 TRP A 24 0.965 6.200 5.820 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.702 6.052 8.045 1.00 0.61 C ATOM 416 CZ3 TRP A 24 2.329 6.372 5.682 1.00 0.66 C ATOM 417 CH2 TRP A 24 3.184 6.296 6.789 1.00 0.66 C ATOM 0 H TRP A 24 -4.801 6.057 6.149 1.00 0.31 H new ATOM 0 HA TRP A 24 -3.035 6.859 8.390 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.577 4.705 6.840 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -1.929 5.928 5.766 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.562 5.343 9.625 1.00 0.47 H new ATOM 0 HE1 TRP A 24 0.942 5.521 10.252 1.00 0.55 H new ATOM 0 HE3 TRP A 24 0.314 6.259 4.960 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.363 5.995 8.897 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.743 6.568 4.704 1.00 0.66 H new ATOM 0 HH2 TRP A 24 4.246 6.433 6.647 1.00 0.66 H new ATOM 428 N GLU A 25 -1.961 8.767 6.935 1.00 0.34 N ATOM 429 CA GLU A 25 -1.714 10.071 6.325 1.00 0.36 C ATOM 430 C GLU A 25 -0.221 10.384 6.266 1.00 0.37 C ATOM 431 O GLU A 25 0.491 10.253 7.261 1.00 0.42 O ATOM 432 CB GLU A 25 -2.441 11.170 7.109 1.00 0.39 C ATOM 433 CG GLU A 25 -3.745 10.713 7.746 1.00 0.98 C ATOM 434 CD GLU A 25 -4.526 11.857 8.364 1.00 1.52 C ATOM 435 OE1 GLU A 25 -3.987 12.518 9.276 1.00 1.91 O ATOM 436 OE2 GLU A 25 -5.676 12.091 7.936 1.00 2.05 O ATOM 0 H GLU A 25 -1.260 8.477 7.616 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.097 10.038 5.305 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -1.779 11.545 7.889 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -2.648 12.004 6.439 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -4.361 10.223 6.992 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -3.529 9.969 8.513 1.00 0.98 H new ATOM 443 N LYS A 26 0.242 10.816 5.096 1.00 0.39 N ATOM 444 CA LYS A 26 1.645 11.171 4.916 1.00 0.44 C ATOM 445 C LYS A 26 1.821 12.142 3.753 1.00 0.40 C ATOM 446 O LYS A 26 1.387 11.872 2.633 1.00 0.44 O ATOM 447 CB LYS A 26 2.492 9.920 4.687 1.00 0.51 C ATOM 448 CG LYS A 26 3.975 10.140 4.939 1.00 0.58 C ATOM 449 CD LYS A 26 4.223 10.818 6.279 1.00 1.19 C ATOM 450 CE LYS A 26 4.629 12.272 6.105 1.00 1.62 C ATOM 451 NZ LYS A 26 3.820 13.184 6.962 1.00 2.39 N ATOM 0 H LYS A 26 -0.333 10.928 4.261 1.00 0.39 H new ATOM 0 HA LYS A 26 1.983 11.663 5.828 1.00 0.44 H new ATOM 0 HB2 LYS A 26 2.134 9.124 5.340 1.00 0.51 H new ATOM 0 HB3 LYS A 26 2.352 9.578 3.661 1.00 0.51 H new ATOM 0 HG2 LYS A 26 4.495 9.182 4.914 1.00 0.58 H new ATOM 0 HG3 LYS A 26 4.394 10.751 4.139 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.321 10.762 6.888 1.00 1.19 H new ATOM 0 HD3 LYS A 26 5.005 10.284 6.818 1.00 1.19 H new ATOM 0 HE2 LYS A 26 5.685 12.385 6.351 1.00 1.62 H new ATOM 0 HE3 LYS A 26 4.512 12.558 5.060 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 3.648 14.076 6.455 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 2.910 12.733 7.187 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 4.336 13.381 7.843 1.00 2.39 H new ATOM 465 N GLU A 27 2.448 13.281 4.032 1.00 0.49 N ATOM 466 CA GLU A 27 2.661 14.306 3.017 1.00 0.49 C ATOM 467 C GLU A 27 4.028 14.165 2.351 1.00 0.44 C ATOM 468 O GLU A 27 5.059 14.416 2.974 1.00 0.77 O ATOM 469 CB GLU A 27 2.528 15.702 3.635 1.00 0.72 C ATOM 470 CG GLU A 27 1.495 15.782 4.749 1.00 1.25 C ATOM 471 CD GLU A 27 1.196 17.209 5.168 1.00 1.93 C ATOM 472 OE1 GLU A 27 0.622 17.960 4.353 1.00 2.64 O ATOM 473 OE2 GLU A 27 1.531 17.572 6.315 1.00 2.20 O ATOM 0 H GLU A 27 2.817 13.517 4.953 1.00 0.49 H new ATOM 0 HA GLU A 27 1.897 14.172 2.252 1.00 0.49 H new ATOM 0 HB2 GLU A 27 3.497 16.010 4.028 1.00 0.72 H new ATOM 0 HB3 GLU A 27 2.261 16.412 2.852 1.00 0.72 H new ATOM 0 HG2 GLU A 27 0.573 15.304 4.419 1.00 1.25 H new ATOM 0 HG3 GLU A 27 1.853 15.222 5.612 1.00 1.25 H new ATOM 480 N VAL A 28 4.009 13.778 1.071 1.00 0.34 N ATOM 481 CA VAL A 28 5.222 13.631 0.250 1.00 0.26 C ATOM 482 C VAL A 28 6.483 13.324 1.060 1.00 0.28 C ATOM 483 O VAL A 28 7.543 13.899 0.811 1.00 0.43 O ATOM 484 CB VAL A 28 5.475 14.905 -0.577 1.00 0.29 C ATOM 485 CG1 VAL A 28 6.555 14.668 -1.622 1.00 1.00 C ATOM 486 CG2 VAL A 28 4.185 15.379 -1.227 1.00 0.37 C ATOM 0 H VAL A 28 3.149 13.556 0.570 1.00 0.34 H new ATOM 0 HA VAL A 28 5.028 12.776 -0.397 1.00 0.26 H new ATOM 0 HB VAL A 28 5.828 15.687 0.095 1.00 0.29 H new ATOM 0 HG11 VAL A 28 6.716 15.582 -2.193 1.00 1.00 H new ATOM 0 HG12 VAL A 28 7.483 14.381 -1.127 1.00 1.00 H new ATOM 0 HG13 VAL A 28 6.241 13.870 -2.295 1.00 1.00 H new ATOM 0 HG21 VAL A 28 4.380 16.280 -1.808 1.00 0.37 H new ATOM 0 HG22 VAL A 28 3.801 14.599 -1.885 1.00 0.37 H new ATOM 0 HG23 VAL A 28 3.447 15.598 -0.455 1.00 0.37 H new ATOM 496 N SER A 29 6.368 12.427 2.032 1.00 0.29 N ATOM 497 CA SER A 29 7.510 12.058 2.861 1.00 0.40 C ATOM 498 C SER A 29 8.258 10.860 2.281 1.00 0.35 C ATOM 499 O SER A 29 7.915 10.355 1.213 1.00 0.35 O ATOM 500 CB SER A 29 7.050 11.745 4.285 1.00 0.56 C ATOM 501 OG SER A 29 8.131 11.297 5.084 1.00 1.09 O ATOM 0 H SER A 29 5.501 11.944 2.265 1.00 0.29 H new ATOM 0 HA SER A 29 8.194 12.906 2.880 1.00 0.40 H new ATOM 0 HB2 SER A 29 6.608 12.636 4.732 1.00 0.56 H new ATOM 0 HB3 SER A 29 6.272 10.982 4.260 1.00 0.56 H new ATOM 0 HG SER A 29 8.115 10.319 5.138 1.00 1.09 H new ATOM 507 N GLU A 30 9.285 10.413 3.001 1.00 0.42 N ATOM 508 CA GLU A 30 10.067 9.249 2.596 1.00 0.41 C ATOM 509 C GLU A 30 10.246 8.316 3.788 1.00 0.50 C ATOM 510 O GLU A 30 10.653 8.747 4.866 1.00 0.70 O ATOM 511 CB GLU A 30 11.433 9.678 2.054 1.00 0.61 C ATOM 512 CG GLU A 30 11.355 10.758 0.985 1.00 0.76 C ATOM 513 CD GLU A 30 12.622 10.853 0.159 1.00 1.14 C ATOM 514 OE1 GLU A 30 13.582 11.508 0.616 1.00 1.70 O ATOM 515 OE2 GLU A 30 12.656 10.273 -0.947 1.00 1.60 O ATOM 0 H GLU A 30 9.595 10.843 3.872 1.00 0.42 H new ATOM 0 HA GLU A 30 9.534 8.725 1.802 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.044 10.041 2.880 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.940 8.806 1.641 1.00 0.61 H new ATOM 0 HG2 GLU A 30 10.511 10.552 0.327 1.00 0.76 H new ATOM 0 HG3 GLU A 30 11.162 11.720 1.459 1.00 0.76 H new ATOM 522 N PHE A 31 9.895 7.049 3.606 1.00 0.46 N ATOM 523 CA PHE A 31 9.953 6.089 4.700 1.00 0.63 C ATOM 524 C PHE A 31 10.792 4.863 4.361 1.00 0.58 C ATOM 525 O PHE A 31 10.809 4.398 3.222 1.00 0.48 O ATOM 526 CB PHE A 31 8.536 5.642 5.058 1.00 0.83 C ATOM 527 CG PHE A 31 7.789 6.620 5.914 1.00 0.84 C ATOM 528 CD1 PHE A 31 7.568 7.914 5.476 1.00 0.79 C ATOM 529 CD2 PHE A 31 7.323 6.249 7.165 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.887 8.821 6.265 1.00 1.49 C ATOM 531 CE2 PHE A 31 6.640 7.148 7.957 1.00 2.52 C ATOM 532 CZ PHE A 31 6.388 8.426 7.489 1.00 2.40 C ATOM 0 H PHE A 31 9.570 6.665 2.719 1.00 0.46 H new ATOM 0 HA PHE A 31 10.428 6.589 5.544 1.00 0.63 H new ATOM 0 HB2 PHE A 31 7.975 5.476 4.139 1.00 0.83 H new ATOM 0 HB3 PHE A 31 8.588 4.685 5.577 1.00 0.83 H new ATOM 0 HD1 PHE A 31 7.932 8.218 4.506 1.00 0.79 H new ATOM 0 HD2 PHE A 31 7.496 5.245 7.524 1.00 1.70 H new ATOM 0 HE1 PHE A 31 6.746 9.836 5.925 1.00 1.49 H new ATOM 0 HE2 PHE A 31 6.302 6.855 8.940 1.00 2.52 H new ATOM 0 HZ PHE A 31 5.802 9.113 8.081 1.00 2.40 H new ATOM 542 N ASP A 32 11.434 4.308 5.385 1.00 0.73 N ATOM 543 CA ASP A 32 12.175 3.063 5.246 1.00 0.74 C ATOM 544 C ASP A 32 11.277 1.917 5.690 1.00 0.90 C ATOM 545 O ASP A 32 10.796 1.906 6.824 1.00 1.42 O ATOM 546 CB ASP A 32 13.454 3.097 6.086 1.00 1.06 C ATOM 547 CG ASP A 32 13.186 3.446 7.536 1.00 2.02 C ATOM 548 OD1 ASP A 32 12.358 4.346 7.787 1.00 2.89 O ATOM 549 OD2 ASP A 32 13.805 2.819 8.422 1.00 2.36 O ATOM 0 H ASP A 32 11.454 4.705 6.324 1.00 0.73 H new ATOM 0 HA ASP A 32 12.468 2.924 4.205 1.00 0.74 H new ATOM 0 HB2 ASP A 32 13.945 2.125 6.034 1.00 1.06 H new ATOM 0 HB3 ASP A 32 14.144 3.826 5.662 1.00 1.06 H new ATOM 554 N TRP A 33 10.996 0.986 4.787 1.00 0.63 N ATOM 555 CA TRP A 33 10.049 -0.079 5.089 1.00 0.93 C ATOM 556 C TRP A 33 10.695 -1.458 5.131 1.00 0.61 C ATOM 557 O TRP A 33 11.463 -1.834 4.246 1.00 0.45 O ATOM 558 CB TRP A 33 8.920 -0.075 4.058 1.00 1.36 C ATOM 559 CG TRP A 33 7.628 -0.611 4.591 1.00 1.58 C ATOM 560 CD1 TRP A 33 7.136 -0.461 5.855 1.00 2.21 C ATOM 561 CD2 TRP A 33 6.661 -1.383 3.872 1.00 1.38 C ATOM 562 NE1 TRP A 33 5.922 -1.094 5.967 1.00 2.32 N ATOM 563 CE2 TRP A 33 5.608 -1.668 4.762 1.00 1.76 C ATOM 564 CE3 TRP A 33 6.583 -1.861 2.562 1.00 1.34 C ATOM 565 CZ2 TRP A 33 4.492 -2.409 4.382 1.00 1.72 C ATOM 566 CZ3 TRP A 33 5.476 -2.598 2.186 1.00 1.52 C ATOM 567 CH2 TRP A 33 4.443 -2.863 3.092 1.00 1.51 C ATOM 0 H TRP A 33 11.404 0.946 3.853 1.00 0.63 H new ATOM 0 HA TRP A 33 9.657 0.121 6.086 1.00 0.93 H new ATOM 0 HB2 TRP A 33 8.764 0.944 3.705 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.223 -0.669 3.196 1.00 1.36 H new ATOM 0 HD1 TRP A 33 7.629 0.077 6.651 1.00 2.21 H new ATOM 0 HE1 TRP A 33 5.348 -1.131 6.809 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.374 -1.658 1.855 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 3.694 -2.618 5.080 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 5.407 -2.976 1.176 1.00 1.52 H new ATOM 0 HH2 TRP A 33 3.589 -3.438 2.766 1.00 1.51 H new ATOM 578 N TYR A 34 10.332 -2.218 6.161 1.00 0.69 N ATOM 579 CA TYR A 34 10.792 -3.589 6.324 1.00 0.52 C ATOM 580 C TYR A 34 9.603 -4.484 6.666 1.00 0.54 C ATOM 581 O TYR A 34 8.991 -4.340 7.725 1.00 0.68 O ATOM 582 CB TYR A 34 11.857 -3.668 7.423 1.00 0.70 C ATOM 583 CG TYR A 34 12.194 -5.080 7.851 1.00 0.67 C ATOM 584 CD1 TYR A 34 12.241 -6.112 6.923 1.00 0.86 C ATOM 585 CD2 TYR A 34 12.470 -5.376 9.180 1.00 0.78 C ATOM 586 CE1 TYR A 34 12.550 -7.403 7.308 1.00 0.98 C ATOM 587 CE2 TYR A 34 12.780 -6.665 9.572 1.00 0.87 C ATOM 588 CZ TYR A 34 12.809 -7.674 8.640 1.00 0.88 C ATOM 589 OH TYR A 34 13.128 -8.957 9.022 1.00 1.07 O ATOM 0 H TYR A 34 9.711 -1.898 6.904 1.00 0.69 H new ATOM 0 HA TYR A 34 11.241 -3.931 5.392 1.00 0.52 H new ATOM 0 HB2 TYR A 34 12.765 -3.179 7.071 1.00 0.70 H new ATOM 0 HB3 TYR A 34 11.510 -3.109 8.292 1.00 0.70 H new ATOM 0 HD1 TYR A 34 12.033 -5.903 5.884 1.00 0.86 H new ATOM 0 HD2 TYR A 34 12.442 -4.588 9.918 1.00 0.78 H new ATOM 0 HE1 TYR A 34 12.589 -8.195 6.574 1.00 0.98 H new ATOM 0 HE2 TYR A 34 12.999 -6.878 10.608 1.00 0.87 H new ATOM 0 HH TYR A 34 13.282 -8.981 9.989 1.00 1.07 H new ATOM 599 N TYR A 35 9.264 -5.389 5.756 1.00 0.46 N ATOM 600 CA TYR A 35 8.109 -6.261 5.939 1.00 0.52 C ATOM 601 C TYR A 35 8.414 -7.426 6.875 1.00 0.55 C ATOM 602 O TYR A 35 9.490 -8.022 6.815 1.00 0.73 O ATOM 603 CB TYR A 35 7.648 -6.794 4.584 1.00 0.51 C ATOM 604 CG TYR A 35 6.149 -6.833 4.425 1.00 0.79 C ATOM 605 CD1 TYR A 35 5.403 -5.662 4.390 1.00 1.33 C ATOM 606 CD2 TYR A 35 5.480 -8.042 4.295 1.00 1.06 C ATOM 607 CE1 TYR A 35 4.031 -5.697 4.239 1.00 1.67 C ATOM 608 CE2 TYR A 35 4.108 -8.084 4.141 1.00 1.31 C ATOM 609 CZ TYR A 35 3.388 -6.910 4.119 1.00 1.50 C ATOM 610 OH TYR A 35 2.025 -6.946 3.960 1.00 1.87 O ATOM 0 H TYR A 35 9.772 -5.539 4.884 1.00 0.46 H new ATOM 0 HA TYR A 35 7.316 -5.669 6.397 1.00 0.52 H new ATOM 0 HB2 TYR A 35 8.072 -6.172 3.796 1.00 0.51 H new ATOM 0 HB3 TYR A 35 8.045 -7.799 4.445 1.00 0.51 H new ATOM 0 HD1 TYR A 35 5.904 -4.710 4.482 1.00 1.33 H new ATOM 0 HD2 TYR A 35 6.041 -8.965 4.315 1.00 1.06 H new ATOM 0 HE1 TYR A 35 3.464 -4.778 4.215 1.00 1.67 H new ATOM 0 HE2 TYR A 35 3.602 -9.033 4.038 1.00 1.31 H new ATOM 0 HH TYR A 35 1.810 -7.160 3.028 1.00 1.87 H new ATOM 620 N ASP A 36 7.443 -7.759 7.720 1.00 0.56 N ATOM 621 CA ASP A 36 7.588 -8.864 8.662 1.00 0.68 C ATOM 622 C ASP A 36 6.230 -9.477 9.007 1.00 0.67 C ATOM 623 O ASP A 36 6.087 -10.148 10.029 1.00 0.88 O ATOM 624 CB ASP A 36 8.281 -8.384 9.938 1.00 0.85 C ATOM 625 CG ASP A 36 8.756 -9.533 10.804 1.00 1.30 C ATOM 626 OD1 ASP A 36 9.596 -10.326 10.331 1.00 2.12 O ATOM 627 OD2 ASP A 36 8.288 -9.639 11.958 1.00 1.59 O ATOM 0 H ASP A 36 6.545 -7.278 7.772 1.00 0.56 H new ATOM 0 HA ASP A 36 8.200 -9.631 8.188 1.00 0.68 H new ATOM 0 HB2 ASP A 36 9.132 -7.757 9.672 1.00 0.85 H new ATOM 0 HB3 ASP A 36 7.593 -7.762 10.510 1.00 0.85 H new ATOM 632 N THR A 37 5.235 -9.243 8.151 1.00 0.64 N ATOM 633 CA THR A 37 3.892 -9.775 8.367 1.00 0.64 C ATOM 634 C THR A 37 3.037 -9.619 7.112 1.00 0.66 C ATOM 635 O THR A 37 2.979 -8.541 6.521 1.00 0.92 O ATOM 636 CB THR A 37 3.213 -9.058 9.540 1.00 0.72 C ATOM 637 OG1 THR A 37 3.972 -9.203 10.728 1.00 1.70 O ATOM 638 CG2 THR A 37 1.815 -9.564 9.823 1.00 1.49 C ATOM 0 H THR A 37 5.335 -8.688 7.301 1.00 0.64 H new ATOM 0 HA THR A 37 3.987 -10.836 8.600 1.00 0.64 H new ATOM 0 HB THR A 37 3.150 -8.012 9.239 1.00 0.72 H new ATOM 0 HG1 THR A 37 4.571 -9.974 10.641 1.00 1.70 H new ATOM 0 HG21 THR A 37 1.392 -9.014 10.664 1.00 1.49 H new ATOM 0 HG22 THR A 37 1.190 -9.417 8.942 1.00 1.49 H new ATOM 0 HG23 THR A 37 1.855 -10.626 10.066 1.00 1.49 H new ATOM 646 N ASN A 38 2.368 -10.698 6.716 1.00 0.52 N ATOM 647 CA ASN A 38 1.511 -10.672 5.536 1.00 0.56 C ATOM 648 C ASN A 38 0.351 -9.700 5.730 1.00 0.65 C ATOM 649 O ASN A 38 -0.612 -10.000 6.437 1.00 0.82 O ATOM 650 CB ASN A 38 0.973 -12.074 5.238 1.00 0.59 C ATOM 651 CG ASN A 38 1.667 -12.723 4.058 1.00 1.06 C ATOM 652 OD1 ASN A 38 2.628 -13.475 4.225 1.00 2.08 O ATOM 653 ND2 ASN A 38 1.180 -12.438 2.855 1.00 1.04 N ATOM 0 H ASN A 38 2.403 -11.599 7.194 1.00 0.52 H new ATOM 0 HA ASN A 38 2.109 -10.334 4.690 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.098 -12.703 6.120 1.00 0.59 H new ATOM 0 HB3 ASN A 38 -0.097 -12.014 5.038 1.00 0.59 H new ATOM 0 HD21 ASN A 38 1.604 -12.848 2.023 1.00 1.04 H new ATOM 0 HD22 ASN A 38 0.382 -11.809 2.764 1.00 1.04 H new ATOM 660 N GLU A 39 0.456 -8.530 5.109 1.00 0.59 N ATOM 661 CA GLU A 39 -0.578 -7.506 5.228 1.00 0.69 C ATOM 662 C GLU A 39 -0.962 -6.942 3.854 1.00 0.54 C ATOM 663 O GLU A 39 -0.236 -7.107 2.874 1.00 0.60 O ATOM 664 CB GLU A 39 -0.111 -6.392 6.195 1.00 0.94 C ATOM 665 CG GLU A 39 0.310 -5.076 5.540 1.00 0.81 C ATOM 666 CD GLU A 39 1.307 -4.299 6.376 1.00 1.14 C ATOM 667 OE1 GLU A 39 1.941 -4.909 7.264 1.00 1.36 O ATOM 668 OE2 GLU A 39 1.453 -3.080 6.146 1.00 1.45 O ATOM 0 H GLU A 39 1.245 -8.267 4.519 1.00 0.59 H new ATOM 0 HA GLU A 39 -1.476 -7.963 5.644 1.00 0.69 H new ATOM 0 HB2 GLU A 39 -0.918 -6.185 6.897 1.00 0.94 H new ATOM 0 HB3 GLU A 39 0.729 -6.771 6.778 1.00 0.94 H new ATOM 0 HG2 GLU A 39 0.746 -5.284 4.563 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -0.573 -4.460 5.370 1.00 0.81 H new ATOM 675 N THR A 40 -2.108 -6.270 3.806 1.00 0.43 N ATOM 676 CA THR A 40 -2.599 -5.653 2.577 1.00 0.35 C ATOM 677 C THR A 40 -3.155 -4.264 2.876 1.00 0.36 C ATOM 678 O THR A 40 -3.820 -4.067 3.890 1.00 0.41 O ATOM 679 CB THR A 40 -3.680 -6.527 1.938 1.00 0.31 C ATOM 680 OG1 THR A 40 -3.146 -7.781 1.551 1.00 0.40 O ATOM 681 CG2 THR A 40 -4.315 -5.900 0.716 1.00 0.40 C ATOM 0 H THR A 40 -2.719 -6.138 4.612 1.00 0.43 H new ATOM 0 HA THR A 40 -1.769 -5.559 1.877 1.00 0.35 H new ATOM 0 HB THR A 40 -4.447 -6.643 2.704 1.00 0.31 H new ATOM 0 HG1 THR A 40 -3.852 -8.326 1.146 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.072 -6.573 0.314 1.00 0.40 H new ATOM 0 HG22 THR A 40 -4.781 -4.954 0.993 1.00 0.40 H new ATOM 0 HG23 THR A 40 -3.550 -5.721 -0.040 1.00 0.40 H new ATOM 689 N CYS A 41 -2.841 -3.290 2.025 1.00 0.34 N ATOM 690 CA CYS A 41 -3.302 -1.921 2.245 1.00 0.33 C ATOM 691 C CYS A 41 -3.974 -1.363 0.992 1.00 0.30 C ATOM 692 O CYS A 41 -3.683 -1.792 -0.124 1.00 0.31 O ATOM 693 CB CYS A 41 -2.141 -1.011 2.666 1.00 0.36 C ATOM 694 SG CYS A 41 -0.773 -1.854 3.504 1.00 0.63 S ATOM 0 H CYS A 41 -2.276 -3.420 1.186 1.00 0.34 H new ATOM 0 HA CYS A 41 -4.035 -1.946 3.052 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -1.751 -0.511 1.779 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.528 -0.235 3.326 1.00 0.36 H new ATOM 0 HG CYS A 41 0.148 -0.989 3.810 1.00 0.63 H new ATOM 700 N TYR A 42 -4.874 -0.404 1.188 1.00 0.27 N ATOM 701 CA TYR A 42 -5.603 0.206 0.080 1.00 0.26 C ATOM 702 C TYR A 42 -5.415 1.726 0.076 1.00 0.24 C ATOM 703 O TYR A 42 -5.633 2.390 1.086 1.00 0.26 O ATOM 704 CB TYR A 42 -7.094 -0.160 0.183 1.00 0.26 C ATOM 705 CG TYR A 42 -8.026 0.741 -0.601 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.333 0.473 -1.930 1.00 0.39 C ATOM 707 CD2 TYR A 42 -8.602 1.855 -0.007 1.00 0.28 C ATOM 708 CE1 TYR A 42 -9.187 1.293 -2.643 1.00 0.43 C ATOM 709 CE2 TYR A 42 -9.455 2.681 -0.713 1.00 0.36 C ATOM 710 CZ TYR A 42 -9.743 2.397 -2.032 1.00 0.39 C ATOM 711 OH TYR A 42 -10.593 3.216 -2.739 1.00 0.47 O ATOM 0 H TYR A 42 -5.117 -0.032 2.106 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.207 -0.178 -0.860 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.227 -1.185 -0.163 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.387 -0.137 1.233 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -7.897 -0.389 -2.413 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.379 2.080 1.026 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -9.418 1.070 -3.674 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -9.894 3.544 -0.235 1.00 0.36 H new ATOM 0 HH TYR A 42 -10.898 3.947 -2.162 1.00 0.47 H new ATOM 721 N ILE A 43 -5.026 2.267 -1.075 1.00 0.23 N ATOM 722 CA ILE A 43 -4.824 3.706 -1.216 1.00 0.24 C ATOM 723 C ILE A 43 -6.163 4.441 -1.270 1.00 0.27 C ATOM 724 O ILE A 43 -7.171 3.882 -1.703 1.00 0.35 O ATOM 725 CB ILE A 43 -4.010 4.035 -2.488 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.623 3.380 -2.416 1.00 0.26 C ATOM 727 CG2 ILE A 43 -3.890 5.543 -2.688 1.00 0.29 C ATOM 728 CD1 ILE A 43 -1.623 4.138 -1.565 1.00 1.07 C ATOM 0 H ILE A 43 -4.844 1.731 -1.924 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.265 4.041 -0.342 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.541 3.628 -3.349 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.730 2.371 -2.019 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -2.225 3.285 -3.426 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.313 5.746 -3.590 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.885 5.977 -2.789 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.387 5.985 -1.828 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -0.670 3.610 -1.566 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -1.483 5.139 -1.973 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -1.996 4.211 -0.543 1.00 1.07 H new ATOM 740 N LEU A 44 -6.164 5.697 -0.834 1.00 0.26 N ATOM 741 CA LEU A 44 -7.378 6.507 -0.842 1.00 0.29 C ATOM 742 C LEU A 44 -7.176 7.785 -1.654 1.00 0.26 C ATOM 743 O LEU A 44 -8.075 8.222 -2.373 1.00 0.35 O ATOM 744 CB LEU A 44 -7.797 6.860 0.586 1.00 0.37 C ATOM 745 CG LEU A 44 -9.085 7.679 0.698 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.302 6.788 0.506 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.148 8.391 2.041 1.00 0.69 C ATOM 0 H LEU A 44 -5.339 6.176 -0.471 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.169 5.920 -1.309 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -7.921 5.936 1.151 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -6.988 7.417 1.059 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.085 8.432 -0.090 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.209 7.387 0.589 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -10.262 6.325 -0.480 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -10.309 6.012 1.271 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.070 8.969 2.104 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -9.126 7.655 2.845 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -8.293 9.060 2.138 1.00 0.69 H new ATOM 759 N GLU A 45 -5.994 8.378 -1.531 1.00 0.22 N ATOM 760 CA GLU A 45 -5.674 9.607 -2.252 1.00 0.23 C ATOM 761 C GLU A 45 -4.201 9.965 -2.088 1.00 0.23 C ATOM 762 O GLU A 45 -3.779 10.422 -1.026 1.00 0.38 O ATOM 763 CB GLU A 45 -6.547 10.758 -1.749 1.00 0.29 C ATOM 764 CG GLU A 45 -6.389 11.032 -0.262 1.00 0.52 C ATOM 765 CD GLU A 45 -7.478 11.933 0.282 1.00 0.80 C ATOM 766 OE1 GLU A 45 -8.524 12.073 -0.388 1.00 1.44 O ATOM 767 OE2 GLU A 45 -7.287 12.503 1.378 1.00 1.12 O ATOM 0 H GLU A 45 -5.240 8.029 -0.939 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.875 9.441 -3.310 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -6.299 11.662 -2.306 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.592 10.530 -1.960 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.399 10.087 0.281 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.418 11.493 -0.082 1.00 0.52 H new ATOM 774 N GLY A 46 -3.425 9.762 -3.146 1.00 0.18 N ATOM 775 CA GLY A 46 -2.008 10.057 -3.093 1.00 0.21 C ATOM 776 C GLY A 46 -1.218 9.147 -4.004 1.00 0.19 C ATOM 777 O GLY A 46 -1.799 8.358 -4.749 1.00 0.25 O ATOM 0 H GLY A 46 -3.754 9.398 -4.040 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.841 11.095 -3.380 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.651 9.948 -2.069 1.00 0.21 H new ATOM 781 N LYS A 47 0.104 9.242 -3.952 1.00 0.23 N ATOM 782 CA LYS A 47 0.938 8.400 -4.789 1.00 0.29 C ATOM 783 C LYS A 47 2.259 8.065 -4.114 1.00 0.25 C ATOM 784 O LYS A 47 3.052 8.949 -3.789 1.00 0.24 O ATOM 785 CB LYS A 47 1.193 9.072 -6.135 1.00 0.41 C ATOM 786 CG LYS A 47 1.186 8.090 -7.290 1.00 0.57 C ATOM 787 CD LYS A 47 2.463 7.268 -7.319 1.00 1.12 C ATOM 788 CE LYS A 47 3.604 8.019 -7.987 1.00 0.50 C ATOM 789 NZ LYS A 47 3.153 8.763 -9.196 1.00 1.10 N ATOM 0 H LYS A 47 0.614 9.886 -3.347 1.00 0.23 H new ATOM 0 HA LYS A 47 0.400 7.466 -4.951 1.00 0.29 H new ATOM 0 HB2 LYS A 47 0.432 9.833 -6.306 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.155 9.584 -6.104 1.00 0.41 H new ATOM 0 HG2 LYS A 47 0.325 7.427 -7.202 1.00 0.57 H new ATOM 0 HG3 LYS A 47 1.077 8.631 -8.230 1.00 0.57 H new ATOM 0 HD2 LYS A 47 2.749 7.004 -6.301 1.00 1.12 H new ATOM 0 HD3 LYS A 47 2.282 6.334 -7.851 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.044 8.718 -7.275 1.00 0.50 H new ATOM 0 HE3 LYS A 47 4.387 7.314 -8.267 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 3.961 8.913 -9.833 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 2.421 8.213 -9.689 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 2.761 9.683 -8.911 1.00 1.10 H new ATOM 803 N VAL A 48 2.498 6.771 -3.945 1.00 0.31 N ATOM 804 CA VAL A 48 3.730 6.287 -3.339 1.00 0.32 C ATOM 805 C VAL A 48 4.450 5.339 -4.295 1.00 0.30 C ATOM 806 O VAL A 48 3.836 4.449 -4.885 1.00 0.34 O ATOM 807 CB VAL A 48 3.444 5.574 -1.992 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.647 4.767 -1.508 1.00 0.52 C ATOM 809 CG2 VAL A 48 3.033 6.589 -0.941 1.00 0.64 C ATOM 0 H VAL A 48 1.849 6.034 -4.221 1.00 0.31 H new ATOM 0 HA VAL A 48 4.371 7.145 -3.140 1.00 0.32 H new ATOM 0 HB VAL A 48 2.625 4.873 -2.156 1.00 0.39 H new ATOM 0 HG11 VAL A 48 4.404 4.284 -0.562 1.00 0.52 H new ATOM 0 HG12 VAL A 48 4.898 4.008 -2.249 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.499 5.432 -1.367 1.00 0.52 H new ATOM 0 HG21 VAL A 48 2.835 6.077 0.001 1.00 0.64 H new ATOM 0 HG22 VAL A 48 3.837 7.312 -0.799 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.132 7.108 -1.269 1.00 0.64 H new ATOM 819 N GLU A 49 5.756 5.533 -4.437 1.00 0.31 N ATOM 820 CA GLU A 49 6.560 4.688 -5.305 1.00 0.30 C ATOM 821 C GLU A 49 7.473 3.795 -4.473 1.00 0.30 C ATOM 822 O GLU A 49 8.303 4.281 -3.705 1.00 0.36 O ATOM 823 CB GLU A 49 7.384 5.543 -6.268 1.00 0.36 C ATOM 824 CG GLU A 49 6.537 6.405 -7.193 1.00 0.38 C ATOM 825 CD GLU A 49 7.366 7.121 -8.242 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.568 7.353 -7.992 1.00 0.96 O ATOM 827 OE2 GLU A 49 6.814 7.447 -9.313 1.00 0.75 O ATOM 0 H GLU A 49 6.279 6.269 -3.961 1.00 0.31 H new ATOM 0 HA GLU A 49 5.893 4.055 -5.890 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.048 6.187 -5.692 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.016 4.891 -6.870 1.00 0.36 H new ATOM 0 HG2 GLU A 49 5.793 5.780 -7.687 1.00 0.38 H new ATOM 0 HG3 GLU A 49 5.992 7.141 -6.601 1.00 0.38 H new ATOM 834 N VAL A 50 7.306 2.489 -4.626 1.00 0.26 N ATOM 835 CA VAL A 50 8.078 1.523 -3.856 1.00 0.28 C ATOM 836 C VAL A 50 9.217 0.934 -4.681 1.00 0.26 C ATOM 837 O VAL A 50 9.027 0.547 -5.829 1.00 0.21 O ATOM 838 CB VAL A 50 7.173 0.376 -3.356 1.00 0.29 C ATOM 839 CG1 VAL A 50 7.991 -0.698 -2.652 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.087 0.915 -2.440 1.00 0.33 C ATOM 0 H VAL A 50 6.641 2.073 -5.278 1.00 0.26 H new ATOM 0 HA VAL A 50 8.500 2.056 -3.004 1.00 0.28 H new ATOM 0 HB VAL A 50 6.696 -0.082 -4.222 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.329 -1.494 -2.310 1.00 0.35 H new ATOM 0 HG12 VAL A 50 8.725 -1.109 -3.345 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.505 -0.261 -1.796 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.459 0.093 -2.097 1.00 0.33 H new ATOM 0 HG22 VAL A 50 6.546 1.404 -1.580 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.476 1.636 -2.984 1.00 0.33 H new ATOM 850 N THR A 51 10.393 0.851 -4.070 1.00 0.32 N ATOM 851 CA THR A 51 11.554 0.258 -4.720 1.00 0.33 C ATOM 852 C THR A 51 12.159 -0.823 -3.831 1.00 0.37 C ATOM 853 O THR A 51 12.660 -0.536 -2.743 1.00 0.44 O ATOM 854 CB THR A 51 12.602 1.328 -5.031 1.00 0.40 C ATOM 855 OG1 THR A 51 11.980 2.532 -5.445 1.00 0.49 O ATOM 856 CG2 THR A 51 13.574 0.914 -6.113 1.00 0.42 C ATOM 0 H THR A 51 10.567 1.188 -3.123 1.00 0.32 H new ATOM 0 HA THR A 51 11.230 -0.193 -5.658 1.00 0.33 H new ATOM 0 HB THR A 51 13.157 1.470 -4.104 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.666 3.205 -5.638 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.290 1.717 -6.285 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.105 0.015 -5.800 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.028 0.711 -7.034 1.00 0.42 H new ATOM 864 N THR A 52 12.112 -2.064 -4.300 1.00 0.33 N ATOM 865 CA THR A 52 12.639 -3.187 -3.535 1.00 0.39 C ATOM 866 C THR A 52 14.101 -3.453 -3.879 1.00 0.42 C ATOM 867 O THR A 52 14.558 -3.140 -4.978 1.00 0.42 O ATOM 868 CB THR A 52 11.806 -4.443 -3.795 1.00 0.37 C ATOM 869 OG1 THR A 52 12.084 -4.971 -5.081 1.00 0.39 O ATOM 870 CG2 THR A 52 10.314 -4.201 -3.709 1.00 0.36 C ATOM 0 H THR A 52 11.715 -2.318 -5.205 1.00 0.33 H new ATOM 0 HA THR A 52 12.579 -2.928 -2.478 1.00 0.39 H new ATOM 0 HB THR A 52 12.088 -5.145 -3.010 1.00 0.37 H new ATOM 0 HG1 THR A 52 12.430 -5.884 -4.992 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.782 -5.132 -3.904 1.00 0.36 H new ATOM 0 HG22 THR A 52 10.061 -3.840 -2.712 1.00 0.36 H new ATOM 0 HG23 THR A 52 10.023 -3.456 -4.449 1.00 0.36 H new ATOM 878 N GLU A 53 14.829 -4.033 -2.929 1.00 0.59 N ATOM 879 CA GLU A 53 16.238 -4.347 -3.128 1.00 0.65 C ATOM 880 C GLU A 53 16.423 -5.282 -4.317 1.00 0.55 C ATOM 881 O GLU A 53 17.322 -5.092 -5.137 1.00 0.52 O ATOM 882 CB GLU A 53 16.819 -4.991 -1.867 1.00 0.79 C ATOM 883 CG GLU A 53 17.219 -3.985 -0.800 1.00 1.21 C ATOM 884 CD GLU A 53 18.658 -4.153 -0.352 1.00 2.08 C ATOM 885 OE1 GLU A 53 18.948 -5.141 0.355 1.00 2.47 O ATOM 886 OE2 GLU A 53 19.494 -3.298 -0.710 1.00 2.77 O ATOM 0 H GLU A 53 14.465 -4.295 -2.013 1.00 0.59 H new ATOM 0 HA GLU A 53 16.767 -3.416 -3.333 1.00 0.65 H new ATOM 0 HB2 GLU A 53 16.084 -5.679 -1.449 1.00 0.79 H new ATOM 0 HB3 GLU A 53 17.692 -5.584 -2.141 1.00 0.79 H new ATOM 0 HG2 GLU A 53 17.078 -2.976 -1.186 1.00 1.21 H new ATOM 0 HG3 GLU A 53 16.559 -4.092 0.061 1.00 1.21 H new ATOM 893 N ASP A 54 15.564 -6.292 -4.407 1.00 0.52 N ATOM 894 CA ASP A 54 15.629 -7.256 -5.497 1.00 0.46 C ATOM 895 C ASP A 54 15.684 -6.548 -6.847 1.00 0.38 C ATOM 896 O ASP A 54 16.298 -7.040 -7.794 1.00 0.39 O ATOM 897 CB ASP A 54 14.420 -8.192 -5.451 1.00 0.49 C ATOM 898 CG ASP A 54 14.744 -9.584 -5.956 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.458 -10.322 -5.246 1.00 1.43 O ATOM 900 OD2 ASP A 54 14.284 -9.936 -7.063 1.00 1.88 O ATOM 0 H ASP A 54 14.814 -6.463 -3.737 1.00 0.52 H new ATOM 0 HA ASP A 54 16.540 -7.842 -5.375 1.00 0.46 H new ATOM 0 HB2 ASP A 54 14.054 -8.257 -4.426 1.00 0.49 H new ATOM 0 HB3 ASP A 54 13.614 -7.769 -6.052 1.00 0.49 H new ATOM 905 N GLY A 55 15.038 -5.389 -6.925 1.00 0.35 N ATOM 906 CA GLY A 55 15.024 -4.629 -8.161 1.00 0.33 C ATOM 907 C GLY A 55 13.628 -4.479 -8.731 1.00 0.31 C ATOM 908 O GLY A 55 13.456 -4.338 -9.942 1.00 0.40 O ATOM 0 H GLY A 55 14.524 -4.963 -6.154 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.448 -3.641 -7.982 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.662 -5.122 -8.895 1.00 0.33 H new ATOM 912 N LYS A 56 12.628 -4.509 -7.856 1.00 0.26 N ATOM 913 CA LYS A 56 11.239 -4.378 -8.278 1.00 0.25 C ATOM 914 C LYS A 56 10.717 -2.971 -8.008 1.00 0.24 C ATOM 915 O LYS A 56 11.416 -2.140 -7.429 1.00 0.26 O ATOM 916 CB LYS A 56 10.369 -5.406 -7.552 1.00 0.26 C ATOM 917 CG LYS A 56 10.989 -6.792 -7.496 1.00 0.37 C ATOM 918 CD LYS A 56 11.290 -7.321 -8.889 1.00 0.81 C ATOM 919 CE LYS A 56 10.842 -8.764 -9.046 1.00 0.86 C ATOM 920 NZ LYS A 56 11.995 -9.683 -9.256 1.00 1.72 N ATOM 0 H LYS A 56 12.754 -4.623 -6.850 1.00 0.26 H new ATOM 0 HA LYS A 56 11.191 -4.562 -9.351 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.182 -5.059 -6.536 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.402 -5.469 -8.051 1.00 0.26 H new ATOM 0 HG2 LYS A 56 11.908 -6.758 -6.912 1.00 0.37 H new ATOM 0 HG3 LYS A 56 10.311 -7.475 -6.984 1.00 0.37 H new ATOM 0 HD2 LYS A 56 10.788 -6.700 -9.631 1.00 0.81 H new ATOM 0 HD3 LYS A 56 12.360 -7.248 -9.084 1.00 0.81 H new ATOM 0 HE2 LYS A 56 10.290 -9.071 -8.158 1.00 0.86 H new ATOM 0 HE3 LYS A 56 10.157 -8.842 -9.890 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 11.648 -10.658 -9.359 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 12.508 -9.406 -10.117 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 12.636 -9.628 -8.439 1.00 1.72 H new ATOM 934 N LYS A 57 9.490 -2.708 -8.445 1.00 0.24 N ATOM 935 CA LYS A 57 8.875 -1.402 -8.252 1.00 0.23 C ATOM 936 C LYS A 57 7.354 -1.511 -8.282 1.00 0.26 C ATOM 937 O LYS A 57 6.794 -2.283 -9.060 1.00 0.36 O ATOM 938 CB LYS A 57 9.351 -0.429 -9.332 1.00 0.29 C ATOM 939 CG LYS A 57 9.400 1.020 -8.874 1.00 0.54 C ATOM 940 CD LYS A 57 10.401 1.827 -9.686 1.00 0.73 C ATOM 941 CE LYS A 57 11.817 1.645 -9.165 1.00 0.67 C ATOM 942 NZ LYS A 57 12.713 2.756 -9.588 1.00 1.32 N ATOM 0 H LYS A 57 8.903 -3.383 -8.935 1.00 0.24 H new ATOM 0 HA LYS A 57 9.175 -1.024 -7.275 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.345 -0.729 -9.666 1.00 0.29 H new ATOM 0 HB3 LYS A 57 8.689 -0.506 -10.194 1.00 0.29 H new ATOM 0 HG2 LYS A 57 8.410 1.466 -8.968 1.00 0.54 H new ATOM 0 HG3 LYS A 57 9.669 1.060 -7.819 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.355 1.521 -10.731 1.00 0.73 H new ATOM 0 HD3 LYS A 57 10.132 2.883 -9.651 1.00 0.73 H new ATOM 0 HE2 LYS A 57 11.799 1.588 -8.077 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.218 0.698 -9.527 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 13.669 2.593 -9.212 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 12.751 2.795 -10.627 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 12.345 3.657 -9.221 1.00 1.32 H new ATOM 956 N TYR A 58 6.690 -0.736 -7.430 1.00 0.23 N ATOM 957 CA TYR A 58 5.234 -0.759 -7.360 1.00 0.28 C ATOM 958 C TYR A 58 4.659 0.653 -7.347 1.00 0.23 C ATOM 959 O TYR A 58 4.843 1.400 -6.386 1.00 0.23 O ATOM 960 CB TYR A 58 4.770 -1.513 -6.110 1.00 0.37 C ATOM 961 CG TYR A 58 5.690 -2.636 -5.687 1.00 0.39 C ATOM 962 CD1 TYR A 58 5.987 -3.678 -6.557 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.266 -2.652 -4.423 1.00 0.40 C ATOM 964 CE1 TYR A 58 6.830 -4.706 -6.177 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.110 -3.676 -4.036 1.00 0.44 C ATOM 966 CZ TYR A 58 7.378 -4.704 -4.904 1.00 0.46 C ATOM 967 OH TYR A 58 8.228 -5.722 -4.535 1.00 0.51 O ATOM 0 H TYR A 58 7.135 -0.087 -6.781 1.00 0.23 H new ATOM 0 HA TYR A 58 4.869 -1.274 -8.249 1.00 0.28 H new ATOM 0 HB2 TYR A 58 4.676 -0.805 -5.286 1.00 0.37 H new ATOM 0 HB3 TYR A 58 3.776 -1.922 -6.294 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.552 -3.685 -7.546 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.051 -1.851 -3.731 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.060 -5.504 -6.867 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.557 -3.667 -3.053 1.00 0.44 H new ATOM 0 HH TYR A 58 8.520 -6.210 -5.333 1.00 0.51 H new ATOM 977 N VAL A 59 3.948 1.006 -8.412 1.00 0.27 N ATOM 978 CA VAL A 59 3.318 2.316 -8.508 1.00 0.26 C ATOM 979 C VAL A 59 1.827 2.211 -8.202 1.00 0.28 C ATOM 980 O VAL A 59 1.108 1.437 -8.833 1.00 0.37 O ATOM 981 CB VAL A 59 3.522 2.944 -9.904 1.00 0.37 C ATOM 982 CG1 VAL A 59 3.076 1.983 -10.996 1.00 0.47 C ATOM 983 CG2 VAL A 59 2.785 4.273 -10.015 1.00 1.24 C ATOM 0 H VAL A 59 3.794 0.403 -9.220 1.00 0.27 H new ATOM 0 HA VAL A 59 3.794 2.964 -7.772 1.00 0.26 H new ATOM 0 HB VAL A 59 4.586 3.138 -10.037 1.00 0.37 H new ATOM 0 HG11 VAL A 59 3.228 2.445 -11.972 1.00 0.47 H new ATOM 0 HG12 VAL A 59 3.661 1.065 -10.934 1.00 0.47 H new ATOM 0 HG13 VAL A 59 2.019 1.750 -10.866 1.00 0.47 H new ATOM 0 HG21 VAL A 59 2.944 4.695 -11.007 1.00 1.24 H new ATOM 0 HG22 VAL A 59 1.719 4.112 -9.856 1.00 1.24 H new ATOM 0 HG23 VAL A 59 3.164 4.963 -9.262 1.00 1.24 H new ATOM 993 N ILE A 60 1.373 2.972 -7.212 1.00 0.27 N ATOM 994 CA ILE A 60 -0.028 2.944 -6.811 1.00 0.33 C ATOM 995 C ILE A 60 -0.549 4.348 -6.524 1.00 0.29 C ATOM 996 O ILE A 60 0.036 5.089 -5.734 1.00 0.40 O ATOM 997 CB ILE A 60 -0.233 2.056 -5.568 1.00 0.42 C ATOM 998 CG1 ILE A 60 0.708 2.482 -4.437 1.00 0.43 C ATOM 999 CG2 ILE A 60 -0.004 0.595 -5.922 1.00 0.52 C ATOM 1000 CD1 ILE A 60 0.343 1.891 -3.094 1.00 0.94 C ATOM 0 H ILE A 60 1.954 3.615 -6.674 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.591 2.523 -7.644 1.00 0.33 H new ATOM 0 HB ILE A 60 -1.260 2.178 -5.224 1.00 0.42 H new ATOM 0 HG12 ILE A 60 1.726 2.186 -4.691 1.00 0.43 H new ATOM 0 HG13 ILE A 60 0.702 3.569 -4.360 1.00 0.43 H new ATOM 0 HG21 ILE A 60 -0.152 -0.022 -5.035 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.710 0.293 -6.696 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.014 0.465 -6.289 1.00 0.52 H new ATOM 0 HD11 ILE A 60 1.051 2.235 -2.340 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -0.663 2.208 -2.818 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.377 0.803 -3.154 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.649 4.716 -7.177 1.00 0.26 N ATOM 1013 CA GLU A 61 -2.228 6.040 -6.992 1.00 0.24 C ATOM 1014 C GLU A 61 -3.746 5.991 -6.885 1.00 0.23 C ATOM 1015 O GLU A 61 -4.439 5.619 -7.832 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.830 6.960 -8.146 1.00 0.39 C ATOM 1017 CG GLU A 61 -1.793 8.429 -7.759 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.168 9.300 -8.829 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -1.437 9.057 -10.024 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -0.410 10.227 -8.473 1.00 0.79 O ATOM 0 H GLU A 61 -2.152 4.120 -7.834 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.836 6.432 -6.054 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.848 6.664 -8.515 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -2.533 6.826 -8.968 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -2.808 8.774 -7.562 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -1.232 8.542 -6.831 1.00 0.41 H new ATOM 1027 N LYS A 62 -4.255 6.416 -5.734 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.691 6.503 -5.506 1.00 0.25 C ATOM 1029 C LYS A 62 -6.397 5.160 -5.678 1.00 0.28 C ATOM 1030 O LYS A 62 -6.616 4.698 -6.798 1.00 0.41 O ATOM 1031 CB LYS A 62 -6.305 7.527 -6.463 1.00 0.40 C ATOM 1032 CG LYS A 62 -7.471 8.294 -5.863 1.00 0.50 C ATOM 1033 CD LYS A 62 -8.553 7.356 -5.356 1.00 0.57 C ATOM 1034 CE LYS A 62 -9.608 8.104 -4.560 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.869 8.284 -5.335 1.00 0.82 N ATOM 0 H LYS A 62 -3.688 6.708 -4.938 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.832 6.815 -4.471 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -5.534 8.234 -6.769 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -6.643 7.014 -7.364 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -7.114 8.917 -5.043 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.891 8.964 -6.613 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -9.023 6.850 -6.200 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -8.104 6.584 -4.731 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -9.822 7.559 -3.640 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -9.219 9.080 -4.269 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -11.562 8.799 -4.755 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.670 8.826 -6.200 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -11.255 7.353 -5.591 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.802 4.574 -4.556 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.564 3.336 -4.584 1.00 0.39 C ATOM 1051 C GLY A 63 -6.748 2.109 -4.944 1.00 0.39 C ATOM 1052 O GLY A 63 -7.283 1.004 -4.991 1.00 0.68 O ATOM 0 H GLY A 63 -6.615 4.936 -3.621 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.019 3.181 -3.606 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.378 3.440 -5.302 1.00 0.39 H new ATOM 1056 N ASP A 64 -5.459 2.289 -5.197 1.00 0.33 N ATOM 1057 CA ASP A 64 -4.600 1.168 -5.561 1.00 0.35 C ATOM 1058 C ASP A 64 -4.160 0.384 -4.328 1.00 0.32 C ATOM 1059 O ASP A 64 -3.697 0.965 -3.345 1.00 0.49 O ATOM 1060 CB ASP A 64 -3.375 1.667 -6.328 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.655 1.855 -7.806 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -4.218 2.907 -8.174 1.00 1.51 O ATOM 1063 OD2 ASP A 64 -3.311 0.951 -8.596 1.00 2.00 O ATOM 0 H ASP A 64 -4.987 3.192 -5.158 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.176 0.499 -6.201 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.043 2.613 -5.901 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -2.558 0.957 -6.203 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.312 -0.936 -4.383 1.00 0.29 N ATOM 1069 CA LEU A 65 -3.892 -1.800 -3.282 1.00 0.26 C ATOM 1070 C LEU A 65 -2.799 -2.763 -3.745 1.00 0.24 C ATOM 1071 O LEU A 65 -2.776 -3.180 -4.904 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.079 -2.573 -2.691 1.00 0.31 C ATOM 1073 CG LEU A 65 -5.458 -3.870 -3.408 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -6.655 -4.517 -2.727 1.00 0.47 C ATOM 1075 CD2 LEU A 65 -5.752 -3.604 -4.872 1.00 0.37 C ATOM 0 H LEU A 65 -4.722 -1.431 -5.175 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.487 -1.164 -2.495 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -4.852 -2.809 -1.651 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -5.949 -1.916 -2.686 1.00 0.31 H new ATOM 0 HG LEU A 65 -4.615 -4.558 -3.352 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -6.915 -5.439 -3.247 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -6.406 -4.743 -1.690 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -7.503 -3.833 -2.755 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -6.020 -4.539 -5.365 1.00 0.37 H new ATOM 0 HD22 LEU A 65 -6.580 -2.900 -4.955 1.00 0.37 H new ATOM 0 HD23 LEU A 65 -4.868 -3.182 -5.350 1.00 0.37 H new ATOM 1087 N VAL A 66 -1.891 -3.102 -2.838 1.00 0.22 N ATOM 1088 CA VAL A 66 -0.780 -3.989 -3.164 1.00 0.24 C ATOM 1089 C VAL A 66 -0.513 -4.994 -2.049 1.00 0.22 C ATOM 1090 O VAL A 66 -0.764 -4.721 -0.875 1.00 0.24 O ATOM 1091 CB VAL A 66 0.509 -3.197 -3.435 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.649 -4.134 -3.807 1.00 0.54 C ATOM 1093 CG2 VAL A 66 0.275 -2.171 -4.528 1.00 0.30 C ATOM 0 H VAL A 66 -1.902 -2.777 -1.871 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.072 -4.527 -4.066 1.00 0.24 H new ATOM 0 HB VAL A 66 0.791 -2.671 -2.523 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.552 -3.552 -3.995 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.830 -4.830 -2.988 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.383 -4.691 -4.705 1.00 0.54 H new ATOM 0 HG21 VAL A 66 1.196 -1.617 -4.710 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.031 -2.678 -5.443 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -0.509 -1.480 -4.217 1.00 0.30 H new ATOM 1103 N THR A 67 0.003 -6.156 -2.431 1.00 0.24 N ATOM 1104 CA THR A 67 0.332 -7.204 -1.475 1.00 0.24 C ATOM 1105 C THR A 67 1.843 -7.339 -1.324 1.00 0.27 C ATOM 1106 O THR A 67 2.595 -7.054 -2.254 1.00 0.32 O ATOM 1107 CB THR A 67 -0.263 -8.539 -1.926 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.679 -8.483 -1.929 1.00 0.29 O ATOM 1109 CG2 THR A 67 0.151 -9.705 -1.054 1.00 0.25 C ATOM 0 H THR A 67 0.203 -6.396 -3.402 1.00 0.24 H new ATOM 0 HA THR A 67 -0.094 -6.930 -0.510 1.00 0.24 H new ATOM 0 HB THR A 67 0.126 -8.703 -2.931 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.038 -9.257 -1.446 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.306 -10.621 -1.430 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.236 -9.807 -1.073 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.179 -9.529 -0.030 1.00 0.25 H new ATOM 1117 N PHE A 68 2.282 -7.770 -0.149 1.00 0.31 N ATOM 1118 CA PHE A 68 3.703 -7.956 0.110 1.00 0.39 C ATOM 1119 C PHE A 68 3.931 -9.170 1.008 1.00 0.37 C ATOM 1120 O PHE A 68 3.178 -9.401 1.952 1.00 0.40 O ATOM 1121 CB PHE A 68 4.295 -6.700 0.753 1.00 0.55 C ATOM 1122 CG PHE A 68 3.788 -5.423 0.144 1.00 0.49 C ATOM 1123 CD1 PHE A 68 2.640 -4.816 0.630 1.00 0.62 C ATOM 1124 CD2 PHE A 68 4.454 -4.833 -0.917 1.00 0.53 C ATOM 1125 CE1 PHE A 68 2.169 -3.643 0.071 1.00 0.67 C ATOM 1126 CE2 PHE A 68 3.988 -3.660 -1.482 1.00 0.55 C ATOM 1127 CZ PHE A 68 2.844 -3.065 -0.986 1.00 0.57 C ATOM 0 H PHE A 68 1.675 -7.997 0.639 1.00 0.31 H new ATOM 0 HA PHE A 68 4.206 -8.132 -0.841 1.00 0.39 H new ATOM 0 HB2 PHE A 68 4.064 -6.703 1.818 1.00 0.55 H new ATOM 0 HB3 PHE A 68 5.381 -6.731 0.662 1.00 0.55 H new ATOM 0 HD1 PHE A 68 2.107 -5.265 1.455 1.00 0.62 H new ATOM 0 HD2 PHE A 68 5.349 -5.295 -1.308 1.00 0.53 H new ATOM 0 HE1 PHE A 68 1.275 -3.179 0.460 1.00 0.67 H new ATOM 0 HE2 PHE A 68 4.517 -3.210 -2.309 1.00 0.55 H new ATOM 0 HZ PHE A 68 2.478 -2.148 -1.425 1.00 0.57 H new ATOM 1137 N PRO A 69 4.969 -9.973 0.716 1.00 0.39 N ATOM 1138 CA PRO A 69 5.273 -11.179 1.484 1.00 0.43 C ATOM 1139 C PRO A 69 6.106 -10.897 2.730 1.00 0.48 C ATOM 1140 O PRO A 69 7.020 -10.071 2.704 1.00 0.63 O ATOM 1141 CB PRO A 69 6.077 -12.013 0.492 1.00 0.50 C ATOM 1142 CG PRO A 69 6.787 -11.011 -0.355 1.00 0.50 C ATOM 1143 CD PRO A 69 5.908 -9.785 -0.407 1.00 0.43 C ATOM 0 HA PRO A 69 4.370 -11.662 1.858 1.00 0.43 H new ATOM 0 HB2 PRO A 69 6.781 -12.669 1.005 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.427 -12.650 -0.108 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.763 -10.770 0.067 1.00 0.50 H new ATOM 0 HG3 PRO A 69 6.961 -11.405 -1.356 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.490 -8.871 -0.292 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.382 -9.710 -1.359 1.00 0.43 H new ATOM 1151 N LYS A 70 5.806 -11.611 3.812 1.00 0.44 N ATOM 1152 CA LYS A 70 6.542 -11.454 5.063 1.00 0.49 C ATOM 1153 C LYS A 70 8.047 -11.509 4.812 1.00 0.51 C ATOM 1154 O LYS A 70 8.591 -12.558 4.467 1.00 0.69 O ATOM 1155 CB LYS A 70 6.143 -12.545 6.059 1.00 0.61 C ATOM 1156 CG LYS A 70 6.896 -12.461 7.377 1.00 0.82 C ATOM 1157 CD LYS A 70 6.134 -13.140 8.504 1.00 0.78 C ATOM 1158 CE LYS A 70 7.025 -14.097 9.279 1.00 1.10 C ATOM 1159 NZ LYS A 70 7.011 -13.813 10.740 1.00 1.62 N ATOM 0 H LYS A 70 5.058 -12.304 3.847 1.00 0.44 H new ATOM 0 HA LYS A 70 6.291 -10.480 5.484 1.00 0.49 H new ATOM 0 HB2 LYS A 70 5.073 -12.475 6.255 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.321 -13.521 5.608 1.00 0.61 H new ATOM 0 HG2 LYS A 70 7.875 -12.927 7.267 1.00 0.82 H new ATOM 0 HG3 LYS A 70 7.068 -11.415 7.632 1.00 0.82 H new ATOM 0 HD2 LYS A 70 5.733 -12.385 9.181 1.00 0.78 H new ATOM 0 HD3 LYS A 70 5.283 -13.684 8.094 1.00 0.78 H new ATOM 0 HE2 LYS A 70 6.694 -15.121 9.106 1.00 1.10 H new ATOM 0 HE3 LYS A 70 8.046 -14.024 8.905 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 7.631 -14.488 11.231 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 7.351 -12.845 10.909 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 6.041 -13.907 11.103 1.00 1.62 H new ATOM 1173 N GLY A 71 8.710 -10.369 4.972 1.00 0.46 N ATOM 1174 CA GLY A 71 10.140 -10.303 4.741 1.00 0.46 C ATOM 1175 C GLY A 71 10.508 -9.214 3.752 1.00 0.36 C ATOM 1176 O GLY A 71 11.619 -8.686 3.783 1.00 0.36 O ATOM 0 H GLY A 71 8.281 -9.489 5.258 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.652 -10.122 5.686 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.491 -11.265 4.368 1.00 0.46 H new ATOM 1180 N LEU A 72 9.558 -8.863 2.888 1.00 0.36 N ATOM 1181 CA LEU A 72 9.766 -7.822 1.882 1.00 0.34 C ATOM 1182 C LEU A 72 10.527 -6.629 2.457 1.00 0.31 C ATOM 1183 O LEU A 72 10.201 -6.134 3.534 1.00 0.60 O ATOM 1184 CB LEU A 72 8.410 -7.359 1.335 1.00 0.43 C ATOM 1185 CG LEU A 72 8.443 -6.124 0.429 1.00 0.51 C ATOM 1186 CD1 LEU A 72 8.591 -4.849 1.246 1.00 1.13 C ATOM 1187 CD2 LEU A 72 9.564 -6.238 -0.593 1.00 1.08 C ATOM 0 H LEU A 72 8.631 -9.287 2.864 1.00 0.36 H new ATOM 0 HA LEU A 72 10.367 -8.244 1.077 1.00 0.34 H new ATOM 0 HB2 LEU A 72 7.964 -8.183 0.778 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.751 -7.150 2.178 1.00 0.43 H new ATOM 0 HG LEU A 72 7.494 -6.074 -0.104 1.00 0.51 H new ATOM 0 HD11 LEU A 72 8.612 -3.989 0.577 1.00 1.13 H new ATOM 0 HD12 LEU A 72 7.748 -4.756 1.931 1.00 1.13 H new ATOM 0 HD13 LEU A 72 9.519 -4.888 1.816 1.00 1.13 H new ATOM 0 HD21 LEU A 72 9.570 -5.351 -1.227 1.00 1.08 H new ATOM 0 HD22 LEU A 72 10.520 -6.322 -0.076 1.00 1.08 H new ATOM 0 HD23 LEU A 72 9.406 -7.123 -1.209 1.00 1.08 H new ATOM 1199 N ARG A 73 11.537 -6.168 1.728 1.00 0.26 N ATOM 1200 CA ARG A 73 12.307 -5.007 2.153 1.00 0.23 C ATOM 1201 C ARG A 73 12.427 -3.999 1.015 1.00 0.20 C ATOM 1202 O ARG A 73 13.066 -4.270 -0.002 1.00 0.24 O ATOM 1203 CB ARG A 73 13.700 -5.434 2.625 1.00 0.27 C ATOM 1204 CG ARG A 73 14.142 -4.752 3.909 1.00 0.43 C ATOM 1205 CD ARG A 73 15.627 -4.956 4.163 1.00 0.68 C ATOM 1206 NE ARG A 73 15.873 -5.904 5.246 1.00 1.54 N ATOM 1207 CZ ARG A 73 17.025 -6.546 5.415 1.00 2.09 C ATOM 1208 NH1 ARG A 73 18.030 -6.342 4.574 1.00 2.73 N ATOM 1209 NH2 ARG A 73 17.173 -7.393 6.424 1.00 2.40 N ATOM 0 H ARG A 73 11.840 -6.578 0.845 1.00 0.26 H new ATOM 0 HA ARG A 73 11.784 -4.534 2.984 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.709 -6.514 2.775 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.424 -5.216 1.840 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.925 -3.686 3.850 1.00 0.43 H new ATOM 0 HG3 ARG A 73 13.570 -5.148 4.748 1.00 0.43 H new ATOM 0 HD2 ARG A 73 16.104 -5.316 3.251 1.00 0.68 H new ATOM 0 HD3 ARG A 73 16.087 -3.999 4.408 1.00 0.68 H new ATOM 0 HE ARG A 73 15.119 -6.084 5.910 1.00 1.54 H new ATOM 0 HH11 ARG A 73 17.920 -5.692 3.796 1.00 2.73 H new ATOM 0 HH12 ARG A 73 18.913 -6.835 4.705 1.00 2.73 H new ATOM 0 HH21 ARG A 73 16.402 -7.553 7.073 1.00 2.40 H new ATOM 0 HH22 ARG A 73 18.058 -7.884 6.552 1.00 2.40 H new ATOM 1223 N CYS A 74 11.819 -2.833 1.199 1.00 0.20 N ATOM 1224 CA CYS A 74 11.854 -1.787 0.184 1.00 0.22 C ATOM 1225 C CYS A 74 11.743 -0.403 0.816 1.00 0.24 C ATOM 1226 O CYS A 74 11.276 -0.262 1.946 1.00 0.31 O ATOM 1227 CB CYS A 74 10.724 -1.989 -0.827 1.00 0.27 C ATOM 1228 SG CYS A 74 9.076 -2.040 -0.087 1.00 0.63 S ATOM 0 H CYS A 74 11.297 -2.588 2.040 1.00 0.20 H new ATOM 0 HA CYS A 74 12.812 -1.853 -0.332 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.757 -1.183 -1.560 1.00 0.27 H new ATOM 0 HB3 CYS A 74 10.897 -2.919 -1.369 1.00 0.27 H new ATOM 0 HG CYS A 74 8.651 -0.827 0.109 1.00 0.63 H new ATOM 1234 N ARG A 75 12.172 0.612 0.077 1.00 0.25 N ATOM 1235 CA ARG A 75 12.112 1.988 0.555 1.00 0.28 C ATOM 1236 C ARG A 75 10.886 2.701 -0.009 1.00 0.31 C ATOM 1237 O ARG A 75 10.644 2.681 -1.216 1.00 0.37 O ATOM 1238 CB ARG A 75 13.382 2.741 0.159 1.00 0.33 C ATOM 1239 CG ARG A 75 13.479 4.131 0.765 1.00 0.54 C ATOM 1240 CD ARG A 75 13.072 5.203 -0.232 1.00 0.99 C ATOM 1241 NE ARG A 75 14.064 5.371 -1.289 1.00 1.50 N ATOM 1242 CZ ARG A 75 14.134 6.443 -2.072 1.00 1.80 C ATOM 1243 NH1 ARG A 75 13.271 7.437 -1.915 1.00 2.25 N ATOM 1244 NH2 ARG A 75 15.065 6.522 -3.013 1.00 2.32 N ATOM 0 H ARG A 75 12.566 0.508 -0.858 1.00 0.25 H new ATOM 0 HA ARG A 75 12.034 1.970 1.642 1.00 0.28 H new ATOM 0 HB2 ARG A 75 14.251 2.158 0.466 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.422 2.824 -0.927 1.00 0.33 H new ATOM 0 HG2 ARG A 75 12.840 4.190 1.646 1.00 0.54 H new ATOM 0 HG3 ARG A 75 14.500 4.313 1.100 1.00 0.54 H new ATOM 0 HD2 ARG A 75 12.111 4.940 -0.675 1.00 0.99 H new ATOM 0 HD3 ARG A 75 12.934 6.150 0.290 1.00 0.99 H new ATOM 0 HE ARG A 75 14.742 4.623 -1.435 1.00 1.50 H new ATOM 0 HH11 ARG A 75 12.553 7.380 -1.193 1.00 2.25 H new ATOM 0 HH12 ARG A 75 13.325 8.259 -2.516 1.00 2.25 H new ATOM 0 HH21 ARG A 75 15.730 5.759 -3.138 1.00 2.32 H new ATOM 0 HH22 ARG A 75 15.116 7.346 -3.612 1.00 2.32 H new ATOM 1258 N TRP A 76 10.109 3.320 0.874 1.00 0.41 N ATOM 1259 CA TRP A 76 8.901 4.027 0.466 1.00 0.48 C ATOM 1260 C TRP A 76 9.161 5.519 0.319 1.00 0.38 C ATOM 1261 O TRP A 76 10.019 6.084 0.998 1.00 0.49 O ATOM 1262 CB TRP A 76 7.781 3.795 1.476 1.00 0.72 C ATOM 1263 CG TRP A 76 7.038 2.514 1.252 1.00 0.63 C ATOM 1264 CD1 TRP A 76 7.557 1.335 0.800 1.00 0.97 C ATOM 1265 CD2 TRP A 76 5.640 2.288 1.456 1.00 0.89 C ATOM 1266 NE1 TRP A 76 6.565 0.387 0.716 1.00 1.28 N ATOM 1267 CE2 TRP A 76 5.381 0.947 1.113 1.00 1.28 C ATOM 1268 CE3 TRP A 76 4.583 3.087 1.900 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 4.106 0.390 1.198 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.319 2.532 1.984 1.00 1.71 C ATOM 1271 CH2 TRP A 76 3.091 1.195 1.636 1.00 1.95 C ATOM 0 H TRP A 76 10.295 3.346 1.877 1.00 0.41 H new ATOM 0 HA TRP A 76 8.596 3.633 -0.504 1.00 0.48 H new ATOM 0 HB2 TRP A 76 8.202 3.792 2.481 1.00 0.72 H new ATOM 0 HB3 TRP A 76 7.079 4.627 1.427 1.00 0.72 H new ATOM 0 HD1 TRP A 76 8.594 1.171 0.546 1.00 0.97 H new ATOM 0 HE1 TRP A 76 6.691 -0.577 0.408 1.00 1.28 H new ATOM 0 HE3 TRP A 76 4.750 4.119 2.172 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 3.926 -0.640 0.928 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.494 3.140 2.324 1.00 1.71 H new ATOM 0 HH2 TRP A 76 2.093 0.791 1.715 1.00 1.95 H new ATOM 1282 N LYS A 77 8.416 6.150 -0.578 1.00 0.35 N ATOM 1283 CA LYS A 77 8.576 7.576 -0.841 1.00 0.32 C ATOM 1284 C LYS A 77 7.295 8.170 -1.410 1.00 0.28 C ATOM 1285 O LYS A 77 6.884 7.840 -2.522 1.00 0.37 O ATOM 1286 CB LYS A 77 9.743 7.824 -1.810 1.00 0.42 C ATOM 1287 CG LYS A 77 10.140 6.611 -2.648 1.00 0.62 C ATOM 1288 CD LYS A 77 10.342 6.985 -4.107 1.00 0.67 C ATOM 1289 CE LYS A 77 10.945 5.835 -4.898 1.00 0.84 C ATOM 1290 NZ LYS A 77 12.089 6.279 -5.741 1.00 1.58 N ATOM 0 H LYS A 77 7.693 5.697 -1.137 1.00 0.35 H new ATOM 0 HA LYS A 77 8.797 8.066 0.107 1.00 0.32 H new ATOM 0 HB2 LYS A 77 9.475 8.640 -2.480 1.00 0.42 H new ATOM 0 HB3 LYS A 77 10.610 8.154 -1.238 1.00 0.42 H new ATOM 0 HG2 LYS A 77 11.059 6.178 -2.252 1.00 0.62 H new ATOM 0 HG3 LYS A 77 9.368 5.846 -2.571 1.00 0.62 H new ATOM 0 HD2 LYS A 77 9.386 7.269 -4.547 1.00 0.67 H new ATOM 0 HD3 LYS A 77 10.994 7.856 -4.174 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.281 5.059 -4.211 1.00 0.84 H new ATOM 0 HE3 LYS A 77 10.178 5.390 -5.532 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 12.471 5.465 -6.264 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 11.764 7.002 -6.415 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 12.832 6.681 -5.134 1.00 1.58 H new ATOM 1304 N VAL A 78 6.667 9.049 -0.637 1.00 0.28 N ATOM 1305 CA VAL A 78 5.428 9.689 -1.058 1.00 0.27 C ATOM 1306 C VAL A 78 5.706 10.914 -1.923 1.00 0.25 C ATOM 1307 O VAL A 78 6.580 11.723 -1.612 1.00 0.35 O ATOM 1308 CB VAL A 78 4.576 10.111 0.153 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.175 10.506 -0.290 1.00 0.91 C ATOM 1310 CG2 VAL A 78 4.521 8.996 1.187 1.00 0.58 C ATOM 0 H VAL A 78 6.997 9.334 0.285 1.00 0.28 H new ATOM 0 HA VAL A 78 4.876 8.954 -1.644 1.00 0.27 H new ATOM 0 HB VAL A 78 5.045 10.979 0.616 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.588 10.801 0.580 1.00 0.91 H new ATOM 0 HG12 VAL A 78 3.236 11.342 -0.987 1.00 0.91 H new ATOM 0 HG13 VAL A 78 2.696 9.659 -0.780 1.00 0.91 H new ATOM 0 HG21 VAL A 78 3.914 9.315 2.034 1.00 0.58 H new ATOM 0 HG22 VAL A 78 4.079 8.106 0.739 1.00 0.58 H new ATOM 0 HG23 VAL A 78 5.530 8.767 1.529 1.00 0.58 H new ATOM 1320 N LEU A 79 4.954 11.042 -3.011 1.00 0.21 N ATOM 1321 CA LEU A 79 5.109 12.169 -3.925 1.00 0.21 C ATOM 1322 C LEU A 79 4.056 13.228 -3.641 1.00 0.21 C ATOM 1323 O LEU A 79 4.292 14.424 -3.813 1.00 0.39 O ATOM 1324 CB LEU A 79 4.980 11.701 -5.375 1.00 0.24 C ATOM 1325 CG LEU A 79 6.037 10.698 -5.840 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.979 9.432 -5.000 1.00 0.51 C ATOM 1327 CD2 LEU A 79 5.839 10.374 -7.311 1.00 0.38 C ATOM 0 H LEU A 79 4.229 10.378 -3.282 1.00 0.21 H new ATOM 0 HA LEU A 79 6.100 12.597 -3.773 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.995 11.252 -5.507 1.00 0.24 H new ATOM 0 HB3 LEU A 79 5.022 12.575 -6.026 1.00 0.24 H new ATOM 0 HG LEU A 79 7.023 11.145 -5.712 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.738 8.731 -5.346 1.00 0.51 H new ATOM 0 HD12 LEU A 79 6.163 9.680 -3.955 1.00 0.51 H new ATOM 0 HD13 LEU A 79 4.994 8.976 -5.096 1.00 0.51 H new ATOM 0 HD21 LEU A 79 6.597 9.659 -7.631 1.00 0.38 H new ATOM 0 HD22 LEU A 79 4.849 9.943 -7.459 1.00 0.38 H new ATOM 0 HD23 LEU A 79 5.929 11.287 -7.900 1.00 0.38 H new ATOM 1339 N GLU A 80 2.887 12.771 -3.217 1.00 0.18 N ATOM 1340 CA GLU A 80 1.775 13.658 -2.911 1.00 0.18 C ATOM 1341 C GLU A 80 1.068 13.204 -1.639 1.00 0.16 C ATOM 1342 O GLU A 80 1.118 12.026 -1.285 1.00 0.19 O ATOM 1343 CB GLU A 80 0.790 13.675 -4.079 1.00 0.24 C ATOM 1344 CG GLU A 80 1.463 13.765 -5.440 1.00 0.93 C ATOM 1345 CD GLU A 80 0.657 14.573 -6.438 1.00 1.67 C ATOM 1346 OE1 GLU A 80 0.506 15.795 -6.229 1.00 2.24 O ATOM 1347 OE2 GLU A 80 0.178 13.983 -7.430 1.00 2.16 O ATOM 0 H GLU A 80 2.683 11.782 -3.076 1.00 0.18 H new ATOM 0 HA GLU A 80 2.162 14.665 -2.753 1.00 0.18 H new ATOM 0 HB2 GLU A 80 0.181 12.772 -4.043 1.00 0.24 H new ATOM 0 HB3 GLU A 80 0.113 14.521 -3.961 1.00 0.24 H new ATOM 0 HG2 GLU A 80 2.448 14.216 -5.325 1.00 0.93 H new ATOM 0 HG3 GLU A 80 1.617 12.760 -5.832 1.00 0.93 H new ATOM 1354 N PRO A 81 0.397 14.129 -0.930 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.341 13.804 0.296 1.00 0.22 C ATOM 1356 C PRO A 81 -1.078 12.475 0.171 1.00 0.20 C ATOM 1357 O PRO A 81 -2.008 12.341 -0.623 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.315 14.970 0.416 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.567 16.122 -0.164 1.00 0.33 C ATOM 1360 CD PRO A 81 0.271 15.555 -1.284 1.00 0.28 C ATOM 0 HA PRO A 81 0.303 13.685 1.167 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.238 14.777 -0.130 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.591 15.155 1.454 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.252 16.884 -0.537 1.00 0.33 H new ATOM 0 HG3 PRO A 81 0.060 16.599 0.589 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.211 15.687 -2.253 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.245 16.042 -1.343 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.612 11.481 0.915 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.148 10.135 0.806 1.00 0.19 C ATOM 1370 C VAL A 82 -2.067 9.774 1.983 1.00 0.18 C ATOM 1371 O VAL A 82 -1.783 10.086 3.138 1.00 0.24 O ATOM 1372 CB VAL A 82 0.024 9.110 0.644 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.010 7.981 1.679 1.00 0.31 C ATOM 1374 CG2 VAL A 82 0.020 8.534 -0.764 1.00 0.34 C ATOM 0 H VAL A 82 0.136 11.584 1.600 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.775 10.091 -0.084 1.00 0.19 H new ATOM 0 HB VAL A 82 0.944 9.667 0.821 1.00 0.24 H new ATOM 0 HG11 VAL A 82 0.853 7.313 1.500 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.089 8.404 2.680 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.921 7.421 1.594 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.839 7.822 -0.868 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -0.927 8.027 -0.947 1.00 0.34 H new ATOM 0 HG23 VAL A 82 0.146 9.340 -1.487 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.142 9.065 1.657 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.081 8.554 2.647 1.00 0.17 C ATOM 1386 C ARG A 83 -4.364 7.091 2.331 1.00 0.22 C ATOM 1387 O ARG A 83 -4.932 6.776 1.287 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.377 9.366 2.638 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.661 10.078 3.951 1.00 0.62 C ATOM 1390 CD ARG A 83 -4.632 11.160 4.238 1.00 0.92 C ATOM 1391 NE ARG A 83 -5.109 12.488 3.855 1.00 1.25 N ATOM 1392 CZ ARG A 83 -4.927 13.032 2.653 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -4.280 12.371 1.701 1.00 2.42 N ATOM 1394 NH2 ARG A 83 -5.397 14.245 2.401 1.00 2.02 N ATOM 0 H ARG A 83 -3.387 8.828 0.696 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.647 8.642 3.643 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.327 10.104 1.838 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.210 8.702 2.407 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -6.656 10.522 3.916 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.664 9.353 4.765 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -4.388 11.155 5.300 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -3.711 10.936 3.699 1.00 0.92 H new ATOM 0 HE ARG A 83 -5.614 13.033 4.554 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -3.916 11.436 1.886 1.00 2.42 H new ATOM 0 HH12 ARG A 83 -4.147 12.798 0.784 1.00 2.42 H new ATOM 0 HH21 ARG A 83 -5.896 14.759 3.127 1.00 2.02 H new ATOM 0 HH22 ARG A 83 -5.259 14.664 1.481 1.00 2.02 H new ATOM 1408 N LYS A 84 -3.890 6.193 3.186 1.00 0.28 N ATOM 1409 CA LYS A 84 -3.994 4.769 2.909 1.00 0.37 C ATOM 1410 C LYS A 84 -4.795 4.022 3.970 1.00 0.27 C ATOM 1411 O LYS A 84 -4.773 4.368 5.151 1.00 0.23 O ATOM 1412 CB LYS A 84 -2.580 4.184 2.796 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.509 2.663 2.841 1.00 0.47 C ATOM 1414 CD LYS A 84 -1.077 2.185 3.016 1.00 0.91 C ATOM 1415 CE LYS A 84 -0.220 2.543 1.814 1.00 1.17 C ATOM 1416 NZ LYS A 84 -0.700 1.881 0.569 1.00 1.63 N ATOM 0 H LYS A 84 -3.434 6.424 4.069 1.00 0.28 H new ATOM 0 HA LYS A 84 -4.534 4.644 1.971 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -2.135 4.526 1.862 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -1.971 4.586 3.606 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -3.122 2.292 3.662 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -2.923 2.250 1.922 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.650 2.631 3.914 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -1.068 1.105 3.162 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -0.225 3.624 1.675 1.00 1.17 H new ATOM 0 HE3 LYS A 84 0.813 2.251 2.005 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 -0.049 2.097 -0.212 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 -0.736 0.852 0.715 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 -1.651 2.231 0.334 1.00 1.63 H new ATOM 1430 N HIS A 85 -5.468 2.964 3.527 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.224 2.094 4.415 1.00 0.22 C ATOM 1432 C HIS A 85 -5.409 0.844 4.711 1.00 0.22 C ATOM 1433 O HIS A 85 -4.416 0.572 4.035 1.00 0.27 O ATOM 1434 CB HIS A 85 -7.574 1.732 3.798 1.00 0.28 C ATOM 1435 CG HIS A 85 -8.507 2.898 3.715 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -9.751 2.919 4.313 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.361 4.098 3.113 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.335 4.079 4.069 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.510 4.813 3.344 1.00 0.48 N ATOM 0 H HIS A 85 -5.503 2.688 2.546 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.420 2.619 5.350 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -7.414 1.329 2.798 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.038 0.943 4.389 1.00 0.28 H new ATOM 0 HD1 HIS A 85 -10.156 2.158 4.858 1.00 0.41 H new ATOM 0 HD2 HIS A 85 -7.500 4.433 2.554 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.318 4.376 4.405 1.00 0.50 H new ATOM 1448 N TYR A 86 -5.786 0.117 5.750 1.00 0.22 N ATOM 1449 CA TYR A 86 -4.999 -1.032 6.181 1.00 0.26 C ATOM 1450 C TYR A 86 -5.790 -2.335 6.209 1.00 0.26 C ATOM 1451 O TYR A 86 -6.986 -2.358 6.489 1.00 0.30 O ATOM 1452 CB TYR A 86 -4.440 -0.752 7.567 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.338 0.274 7.569 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -2.177 0.071 6.841 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.473 1.456 8.282 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -1.170 1.012 6.833 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.472 2.404 8.281 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.320 2.179 7.554 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.317 3.118 7.549 1.00 0.57 O ATOM 0 H TYR A 86 -6.622 0.297 6.307 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.202 -1.168 5.450 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.247 -0.409 8.214 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -4.062 -1.681 7.993 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -2.059 -0.839 6.271 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -4.376 1.636 8.846 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -0.268 0.837 6.265 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.588 3.317 8.846 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.703 4.009 7.680 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.073 -3.426 5.971 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.641 -4.766 6.004 1.00 0.27 C ATOM 1471 C ASN A 87 -4.560 -5.766 6.401 1.00 0.32 C ATOM 1472 O ASN A 87 -4.029 -6.488 5.559 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.224 -5.141 4.642 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.472 -5.993 4.761 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -8.458 -5.500 5.503 1.00 1.27 O flip ATOM 1476 ND2 ASN A 87 -7.549 -7.083 4.195 1.00 1.00 N flip ATOM 0 H ASN A 87 -4.078 -3.405 5.749 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.447 -4.788 6.738 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.460 -4.232 4.088 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.473 -5.680 4.065 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -6.767 -7.423 3.635 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -8.394 -7.646 4.286 1.00 1.00 H new ATOM 1483 N LEU A 88 -4.193 -5.752 7.679 1.00 0.36 N ATOM 1484 CA LEU A 88 -3.135 -6.624 8.176 1.00 0.43 C ATOM 1485 C LEU A 88 -3.709 -7.804 8.950 1.00 0.49 C ATOM 1486 O LEU A 88 -4.745 -7.690 9.604 1.00 0.52 O ATOM 1487 CB LEU A 88 -2.154 -5.843 9.065 1.00 0.53 C ATOM 1488 CG LEU A 88 -2.103 -4.320 8.851 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -2.094 -3.962 7.373 1.00 1.56 C ATOM 1490 CD2 LEU A 88 -3.259 -3.639 9.567 1.00 1.21 C ATOM 0 H LEU A 88 -4.611 -5.148 8.387 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.596 -7.009 7.310 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -2.411 -6.033 10.107 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.153 -6.245 8.905 1.00 0.53 H new ATOM 0 HG LEU A 88 -1.169 -3.957 9.280 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -2.058 -2.878 7.261 1.00 1.56 H new ATOM 0 HD12 LEU A 88 -1.220 -4.405 6.897 1.00 1.56 H new ATOM 0 HD13 LEU A 88 -2.998 -4.345 6.900 1.00 1.56 H new ATOM 0 HD21 LEU A 88 -3.205 -2.563 9.403 1.00 1.21 H new ATOM 0 HD22 LEU A 88 -4.203 -4.018 9.176 1.00 1.21 H new ATOM 0 HD23 LEU A 88 -3.199 -3.847 10.635 1.00 1.21 H new ATOM 1502 N PHE A 89 -3.030 -8.943 8.857 1.00 0.57 N ATOM 1503 CA PHE A 89 -3.465 -10.154 9.540 1.00 0.67 C ATOM 1504 C PHE A 89 -2.291 -11.097 9.774 1.00 1.02 C ATOM 1505 O PHE A 89 -1.731 -11.078 10.890 1.00 1.77 O ATOM 1506 CB PHE A 89 -4.545 -10.863 8.719 1.00 1.01 C ATOM 1507 CG PHE A 89 -4.205 -10.987 7.262 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -4.315 -9.895 6.415 1.00 1.05 C ATOM 1509 CD2 PHE A 89 -3.771 -12.195 6.738 1.00 1.00 C ATOM 1510 CE1 PHE A 89 -4.002 -10.006 5.073 1.00 1.19 C ATOM 1511 CE2 PHE A 89 -3.457 -12.312 5.397 1.00 1.03 C ATOM 1512 CZ PHE A 89 -3.571 -11.216 4.564 1.00 0.93 C ATOM 1513 OXT PHE A 89 -1.939 -11.847 8.838 1.00 1.45 O ATOM 0 H PHE A 89 -2.174 -9.052 8.313 1.00 0.57 H new ATOM 0 HA PHE A 89 -3.878 -9.869 10.508 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -4.709 -11.858 9.132 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -5.483 -10.318 8.820 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -4.649 -8.946 6.808 1.00 1.05 H new ATOM 0 HD2 PHE A 89 -3.677 -13.055 7.385 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -4.094 -9.148 4.423 1.00 1.19 H new ATOM 0 HE2 PHE A 89 -3.123 -13.260 5.001 1.00 1.03 H new ATOM 0 HZ PHE A 89 -3.324 -11.305 3.516 1.00 0.93 H new TER 1523 PHE A 89