USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -0.727 K(o=-4.5,f=-9.5!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.77 K(o=-4.5,f=-9.5!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.977! USER MOD Set 2.2: A 37 MET CE :methyl 159:sc= -3.64! (180deg=-5.52!) USER MOD Set 2.3: A 65 MET CE :methyl -176:sc= -3.33! (180deg=-3.64!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -5.09! (180deg=-8.73!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.187 F(o=-1.6,f=0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.954 USER MOD Single : A 19 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.571 USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= -0.35 (180deg=-1.51!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.7 K(o=-2.7,f=-3.7!) USER MOD Single : A 35 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.81!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= -0.551 (180deg=-1.63!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -30:sc= 0.626 USER MOD Single : A 81 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 85 TYR OH : rot 165:sc=-0.00798 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.775 2.074 -5.363 1.00 0.00 N ATOM 2 CA MET A 1 -10.832 0.940 -5.213 1.00 0.00 C ATOM 3 C MET A 1 -9.648 1.306 -4.327 1.00 0.00 C ATOM 4 O MET A 1 -9.247 2.467 -4.260 1.00 0.00 O ATOM 5 CB MET A 1 -10.351 0.542 -6.607 1.00 0.00 C ATOM 6 CG MET A 1 -9.266 -0.512 -6.629 1.00 0.00 C ATOM 7 SD MET A 1 -8.410 -0.586 -8.213 1.00 0.00 S ATOM 8 CE MET A 1 -9.276 -1.940 -9.004 1.00 0.00 C ATOM 0 H1 MET A 1 -12.142 2.094 -6.336 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.566 1.958 -4.697 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.280 2.966 -5.161 1.00 0.00 H new ATOM 0 HA MET A 1 -11.342 0.107 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.204 0.177 -7.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.983 1.432 -7.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.545 -0.303 -5.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.705 -1.486 -6.411 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.859 -2.108 -9.997 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.163 -2.844 -8.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.334 -1.693 -9.092 1.00 0.00 H new ATOM 20 N PHE A 2 -9.081 0.308 -3.659 1.00 0.00 N ATOM 21 CA PHE A 2 -7.936 0.535 -2.795 1.00 0.00 C ATOM 22 C PHE A 2 -6.654 0.485 -3.608 1.00 0.00 C ATOM 23 O PHE A 2 -6.527 -0.311 -4.539 1.00 0.00 O ATOM 24 CB PHE A 2 -7.892 -0.496 -1.666 1.00 0.00 C ATOM 25 CG PHE A 2 -9.048 -0.393 -0.713 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.248 -1.027 -0.988 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.933 0.339 0.456 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.313 -0.934 -0.113 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.994 0.436 1.336 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.185 -0.201 1.051 1.00 0.00 C ATOM 0 H PHE A 2 -9.396 -0.661 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.033 1.524 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.877 -1.496 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.962 -0.375 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.353 -1.601 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.004 0.840 0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.244 -1.433 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.892 1.009 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.016 -0.126 1.737 1.00 0.00 H new ATOM 40 N LYS A 3 -5.712 1.346 -3.263 1.00 0.00 N ATOM 41 CA LYS A 3 -4.447 1.405 -3.971 1.00 0.00 C ATOM 42 C LYS A 3 -3.294 1.052 -3.050 1.00 0.00 C ATOM 43 O LYS A 3 -3.148 1.625 -1.974 1.00 0.00 O ATOM 44 CB LYS A 3 -4.237 2.802 -4.554 1.00 0.00 C ATOM 45 CG LYS A 3 -4.785 2.964 -5.962 1.00 0.00 C ATOM 46 CD LYS A 3 -6.164 3.606 -5.949 1.00 0.00 C ATOM 47 CE LYS A 3 -7.058 3.020 -7.029 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.083 3.871 -8.251 1.00 0.00 N ATOM 0 H LYS A 3 -5.800 2.013 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.476 0.677 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.713 3.534 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.171 3.027 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.102 3.576 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.840 1.990 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.626 3.459 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.068 4.681 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.707 2.022 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.071 2.911 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.704 3.437 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.442 4.816 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.120 3.955 -8.635 1.00 0.00 H new ATOM 62 N VAL A 4 -2.468 0.105 -3.475 1.00 0.00 N ATOM 63 CA VAL A 4 -1.327 -0.299 -2.671 1.00 0.00 C ATOM 64 C VAL A 4 -0.014 0.129 -3.309 1.00 0.00 C ATOM 65 O VAL A 4 0.215 -0.072 -4.503 1.00 0.00 O ATOM 66 CB VAL A 4 -1.294 -1.821 -2.419 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.094 -2.263 -1.983 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.311 -2.214 -1.366 1.00 0.00 C ATOM 0 H VAL A 4 -2.566 -0.391 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.445 0.207 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.546 -2.320 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.096 -3.339 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.815 -2.019 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.368 -1.748 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.270 -3.291 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.086 -1.698 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.310 -1.935 -1.703 1.00 0.00 H new ATOM 78 N TYR A 5 0.850 0.697 -2.482 1.00 0.00 N ATOM 79 CA TYR A 5 2.162 1.144 -2.909 1.00 0.00 C ATOM 80 C TYR A 5 3.229 0.344 -2.180 1.00 0.00 C ATOM 81 O TYR A 5 3.532 0.619 -1.019 1.00 0.00 O ATOM 82 CB TYR A 5 2.339 2.635 -2.608 1.00 0.00 C ATOM 83 CG TYR A 5 1.424 3.544 -3.400 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.927 3.162 -4.639 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.071 4.795 -2.909 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.104 4.001 -5.367 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.247 5.637 -3.630 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.232 5.236 -4.858 1.00 0.00 C ATOM 89 OH TYR A 5 -1.051 6.074 -5.581 1.00 0.00 O ATOM 0 H TYR A 5 0.658 0.860 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 5 2.258 0.990 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.166 2.802 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.373 2.914 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.188 2.194 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.447 5.114 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.274 3.690 -6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.021 6.605 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.192 6.905 -5.081 1.00 0.00 H new ATOM 99 N GLY A 6 3.783 -0.658 -2.848 1.00 0.00 N ATOM 100 CA GLY A 6 4.796 -1.479 -2.223 1.00 0.00 C ATOM 101 C GLY A 6 5.614 -2.262 -3.224 1.00 0.00 C ATOM 102 O GLY A 6 5.995 -1.742 -4.272 1.00 0.00 O ATOM 0 H GLY A 6 3.550 -0.915 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.459 -0.845 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.319 -2.171 -1.529 1.00 0.00 H new ATOM 106 N TYR A 7 5.899 -3.511 -2.886 1.00 0.00 N ATOM 107 CA TYR A 7 6.691 -4.371 -3.735 1.00 0.00 C ATOM 108 C TYR A 7 5.943 -5.656 -4.077 1.00 0.00 C ATOM 109 O TYR A 7 5.043 -6.075 -3.351 1.00 0.00 O ATOM 110 CB TYR A 7 7.992 -4.689 -3.020 1.00 0.00 C ATOM 111 CG TYR A 7 8.691 -3.450 -2.520 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.250 -2.546 -3.409 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.770 -3.172 -1.163 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.871 -1.401 -2.962 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.394 -2.029 -0.705 1.00 0.00 C ATOM 116 CZ TYR A 7 9.942 -1.146 -1.609 1.00 0.00 C ATOM 117 OH TYR A 7 10.563 -0.002 -1.160 1.00 0.00 O ATOM 0 H TYR A 7 5.587 -3.949 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 7 6.895 -3.857 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.789 -5.352 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.654 -5.228 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.198 -2.743 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.336 -3.861 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.300 -0.706 -3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.452 -1.829 0.355 1.00 0.00 H new ATOM 0 HH TYR A 7 10.526 0.028 -0.181 1.00 0.00 H new ATOM 127 N ASP A 8 6.320 -6.277 -5.191 1.00 0.00 N ATOM 128 CA ASP A 8 5.683 -7.512 -5.629 1.00 0.00 C ATOM 129 C ASP A 8 6.059 -8.672 -4.713 1.00 0.00 C ATOM 130 O ASP A 8 5.250 -9.129 -3.905 1.00 0.00 O ATOM 131 CB ASP A 8 6.082 -7.834 -7.073 1.00 0.00 C ATOM 132 CG ASP A 8 4.883 -8.049 -7.978 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.740 -7.998 -7.477 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.088 -8.268 -9.190 1.00 0.00 O ATOM 0 H ASP A 8 7.063 -5.944 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 8 4.603 -7.371 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.689 -7.019 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.704 -8.729 -7.083 1.00 0.00 H new ATOM 139 N SER A 9 7.293 -9.150 -4.852 1.00 0.00 N ATOM 140 CA SER A 9 7.786 -10.260 -4.042 1.00 0.00 C ATOM 141 C SER A 9 9.166 -10.702 -4.515 1.00 0.00 C ATOM 142 O SER A 9 10.023 -11.067 -3.709 1.00 0.00 O ATOM 143 CB SER A 9 6.816 -11.444 -4.098 1.00 0.00 C ATOM 144 OG SER A 9 7.427 -12.628 -3.615 1.00 0.00 O ATOM 0 H SER A 9 7.971 -8.784 -5.520 1.00 0.00 H new ATOM 0 HA SER A 9 7.861 -9.914 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.930 -11.220 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.482 -11.596 -5.124 1.00 0.00 H new ATOM 0 HG SER A 9 6.787 -13.368 -3.660 1.00 0.00 H new ATOM 150 N ASN A 10 9.377 -10.662 -5.827 1.00 0.00 N ATOM 151 CA ASN A 10 10.655 -11.056 -6.409 1.00 0.00 C ATOM 152 C ASN A 10 11.645 -9.892 -6.402 1.00 0.00 C ATOM 153 O ASN A 10 12.856 -10.098 -6.481 1.00 0.00 O ATOM 154 CB ASN A 10 10.455 -11.565 -7.837 1.00 0.00 C ATOM 155 CG ASN A 10 11.481 -12.612 -8.225 1.00 0.00 C ATOM 156 OD1 ASN A 10 11.219 -13.813 -8.153 1.00 0.00 O ATOM 157 ND2 ASN A 10 12.659 -12.159 -8.637 1.00 0.00 N ATOM 0 H ASN A 10 8.679 -10.361 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 10 11.068 -11.860 -5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.455 -11.987 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.515 -10.726 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.391 -12.815 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.832 -11.155 -8.681 1.00 0.00 H new ATOM 164 N ILE A 11 11.124 -8.672 -6.301 1.00 0.00 N ATOM 165 CA ILE A 11 11.964 -7.479 -6.280 1.00 0.00 C ATOM 166 C ILE A 11 12.375 -7.125 -4.855 1.00 0.00 C ATOM 167 O ILE A 11 13.505 -6.703 -4.613 1.00 0.00 O ATOM 168 CB ILE A 11 11.238 -6.271 -6.906 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.784 -6.601 -8.330 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.138 -5.041 -6.904 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.506 -7.411 -8.386 1.00 0.00 C ATOM 0 H ILE A 11 10.124 -8.484 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 11 12.853 -7.706 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 11 10.357 -6.050 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.640 -5.672 -8.881 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.576 -7.152 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.606 -4.200 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.414 -4.793 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.039 -5.248 -7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.245 -7.607 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.651 -8.357 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.700 -6.853 -7.909 1.00 0.00 H new ATOM 183 N HIS A 12 11.453 -7.303 -3.917 1.00 0.00 N ATOM 184 CA HIS A 12 11.724 -7.006 -2.519 1.00 0.00 C ATOM 185 C HIS A 12 10.897 -7.912 -1.611 1.00 0.00 C ATOM 186 O HIS A 12 9.821 -8.373 -1.991 1.00 0.00 O ATOM 187 CB HIS A 12 11.432 -5.535 -2.225 1.00 0.00 C ATOM 188 CG HIS A 12 12.140 -5.007 -1.015 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.663 -4.296 0.036 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 13.487 -5.168 -0.785 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 12.708 -4.021 0.915 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 13.781 -4.567 0.377 1.00 0.00 N flip ATOM 0 H HIS A 12 10.512 -7.651 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 12 12.779 -7.195 -2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.718 -4.938 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.358 -5.408 -2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.693 -4.008 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.184 -5.687 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.651 -3.474 1.844 1.00 0.00 H new ATOM 200 N LYS A 13 11.420 -8.180 -0.421 1.00 0.00 N ATOM 201 CA LYS A 13 10.744 -9.055 0.536 1.00 0.00 C ATOM 202 C LYS A 13 9.564 -8.362 1.218 1.00 0.00 C ATOM 203 O LYS A 13 9.504 -7.136 1.296 1.00 0.00 O ATOM 204 CB LYS A 13 11.738 -9.554 1.589 1.00 0.00 C ATOM 205 CG LYS A 13 11.136 -10.536 2.584 1.00 0.00 C ATOM 206 CD LYS A 13 10.708 -11.829 1.908 1.00 0.00 C ATOM 207 CE LYS A 13 9.525 -12.466 2.620 1.00 0.00 C ATOM 208 NZ LYS A 13 9.466 -13.936 2.393 1.00 0.00 N ATOM 0 H LYS A 13 12.310 -7.805 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 13 10.348 -9.902 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.578 -10.031 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.137 -8.698 2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.865 -10.757 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.276 -10.078 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.444 -11.628 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.545 -12.528 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.595 -12.266 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.600 -12.007 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.646 -14.332 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.374 -14.127 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.337 -14.378 2.750 1.00 0.00 H new ATOM 222 N CYS A 14 8.633 -9.175 1.721 1.00 0.00 N ATOM 223 CA CYS A 14 7.448 -8.677 2.417 1.00 0.00 C ATOM 224 C CYS A 14 6.537 -9.836 2.822 1.00 0.00 C ATOM 225 O CYS A 14 5.968 -10.518 1.972 1.00 0.00 O ATOM 226 CB CYS A 14 6.676 -7.683 1.545 1.00 0.00 C ATOM 227 SG CYS A 14 6.053 -8.378 -0.022 1.00 0.00 S ATOM 0 H CYS A 14 8.680 -10.192 1.657 1.00 0.00 H new ATOM 0 HA CYS A 14 7.781 -8.159 3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.833 -7.296 2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.324 -6.836 1.320 1.00 0.00 H new ATOM 232 N VAL A 15 6.415 -10.057 4.125 1.00 0.00 N ATOM 233 CA VAL A 15 5.581 -11.138 4.653 1.00 0.00 C ATOM 234 C VAL A 15 4.168 -10.630 4.907 1.00 0.00 C ATOM 235 O VAL A 15 3.176 -11.323 4.677 1.00 0.00 O ATOM 236 CB VAL A 15 6.167 -11.687 5.977 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.682 -11.690 5.914 1.00 0.00 C ATOM 238 CG2 VAL A 15 5.686 -10.890 7.186 1.00 0.00 C ATOM 0 H VAL A 15 6.884 -9.502 4.841 1.00 0.00 H new ATOM 0 HA VAL A 15 5.558 -11.939 3.915 1.00 0.00 H new ATOM 0 HB VAL A 15 5.810 -12.710 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.084 -12.078 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.011 -12.321 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.042 -10.673 5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.121 -11.308 8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.994 -9.850 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.599 -10.942 7.247 1.00 0.00 H new ATOM 248 N TYR A 16 4.116 -9.405 5.404 1.00 0.00 N ATOM 249 CA TYR A 16 2.879 -8.726 5.739 1.00 0.00 C ATOM 250 C TYR A 16 2.177 -8.177 4.490 1.00 0.00 C ATOM 251 O TYR A 16 1.016 -7.771 4.552 1.00 0.00 O ATOM 252 CB TYR A 16 3.215 -7.645 6.763 1.00 0.00 C ATOM 253 CG TYR A 16 2.886 -6.264 6.325 1.00 0.00 C ATOM 254 CD1 TYR A 16 1.575 -5.882 6.211 1.00 0.00 C ATOM 255 CD2 TYR A 16 3.881 -5.357 6.025 1.00 0.00 C ATOM 256 CE1 TYR A 16 1.239 -4.619 5.806 1.00 0.00 C ATOM 257 CE2 TYR A 16 3.564 -4.079 5.619 1.00 0.00 C ATOM 258 CZ TYR A 16 2.235 -3.711 5.509 1.00 0.00 C ATOM 259 OH TYR A 16 1.903 -2.435 5.108 1.00 0.00 O ATOM 0 H TYR A 16 4.949 -8.846 5.589 1.00 0.00 H new ATOM 0 HA TYR A 16 2.162 -9.422 6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.679 -7.858 7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.279 -7.697 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.794 -6.590 6.445 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.917 -5.651 6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.201 -4.334 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.346 -3.371 5.389 1.00 0.00 H new ATOM 0 HH TYR A 16 2.721 -1.922 4.939 1.00 0.00 H new ATOM 269 N CYS A 17 2.866 -8.191 3.353 1.00 0.00 N ATOM 270 CA CYS A 17 2.270 -7.720 2.109 1.00 0.00 C ATOM 271 C CYS A 17 1.257 -8.740 1.595 1.00 0.00 C ATOM 272 O CYS A 17 0.169 -8.382 1.142 1.00 0.00 O ATOM 273 CB CYS A 17 3.347 -7.459 1.049 1.00 0.00 C ATOM 274 SG CYS A 17 4.156 -8.966 0.413 1.00 0.00 S ATOM 0 H CYS A 17 3.828 -8.520 3.268 1.00 0.00 H new ATOM 0 HA CYS A 17 1.757 -6.779 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.896 -6.923 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.108 -6.804 1.474 1.00 0.00 H new ATOM 279 N ASP A 18 1.620 -10.015 1.688 1.00 0.00 N ATOM 280 CA ASP A 18 0.748 -11.097 1.245 1.00 0.00 C ATOM 281 C ASP A 18 -0.448 -11.245 2.181 1.00 0.00 C ATOM 282 O ASP A 18 -1.549 -11.589 1.751 1.00 0.00 O ATOM 283 CB ASP A 18 1.528 -12.412 1.186 1.00 0.00 C ATOM 284 CG ASP A 18 1.270 -13.177 -0.096 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.759 -12.737 -1.158 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.580 -14.216 -0.039 1.00 0.00 O ATOM 0 H ASP A 18 2.515 -10.325 2.067 1.00 0.00 H new ATOM 0 HA ASP A 18 0.381 -10.854 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.594 -12.204 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.254 -13.033 2.039 1.00 0.00 H new ATOM 291 N ASN A 19 -0.219 -10.986 3.465 1.00 0.00 N ATOM 292 CA ASN A 19 -1.271 -11.093 4.470 1.00 0.00 C ATOM 293 C ASN A 19 -2.366 -10.060 4.226 1.00 0.00 C ATOM 294 O ASN A 19 -3.553 -10.381 4.258 1.00 0.00 O ATOM 295 CB ASN A 19 -0.686 -10.914 5.873 1.00 0.00 C ATOM 296 CG ASN A 19 0.487 -11.840 6.129 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.595 -12.906 5.522 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.372 -11.440 7.034 1.00 0.00 N ATOM 0 H ASN A 19 0.688 -10.700 3.834 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.712 -12.087 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.365 -9.880 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.462 -11.101 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.180 -12.024 7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.244 -10.549 7.514 1.00 0.00 H new ATOM 305 N ALA A 20 -1.958 -8.817 3.982 1.00 0.00 N ATOM 306 CA ALA A 20 -2.906 -7.737 3.734 1.00 0.00 C ATOM 307 C ALA A 20 -3.819 -8.072 2.563 1.00 0.00 C ATOM 308 O ALA A 20 -5.042 -7.979 2.668 1.00 0.00 O ATOM 309 CB ALA A 20 -2.163 -6.435 3.472 1.00 0.00 C ATOM 0 H ALA A 20 -0.978 -8.534 3.951 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.526 -7.616 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.882 -5.636 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.554 -6.182 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.520 -6.552 2.600 1.00 0.00 H new ATOM 315 N LYS A 21 -3.217 -8.476 1.450 1.00 0.00 N ATOM 316 CA LYS A 21 -3.975 -8.831 0.254 1.00 0.00 C ATOM 317 C LYS A 21 -5.049 -9.869 0.579 1.00 0.00 C ATOM 318 O LYS A 21 -6.189 -9.757 0.130 1.00 0.00 O ATOM 319 CB LYS A 21 -3.035 -9.378 -0.822 1.00 0.00 C ATOM 320 CG LYS A 21 -3.459 -9.023 -2.237 1.00 0.00 C ATOM 321 CD LYS A 21 -2.384 -9.386 -3.249 1.00 0.00 C ATOM 322 CE LYS A 21 -2.571 -10.801 -3.774 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.329 -11.328 -4.403 1.00 0.00 N ATOM 0 H LYS A 21 -2.206 -8.566 1.350 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.464 -7.931 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.031 -8.993 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.982 -10.463 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.383 -9.546 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.671 -7.956 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.412 -8.681 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.401 -9.295 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.869 -11.456 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.381 -10.814 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.498 -12.294 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.058 -10.718 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.562 -11.340 -3.700 1.00 0.00 H new ATOM 337 N ARG A 22 -4.673 -10.875 1.363 1.00 0.00 N ATOM 338 CA ARG A 22 -5.602 -11.933 1.749 1.00 0.00 C ATOM 339 C ARG A 22 -6.787 -11.361 2.520 1.00 0.00 C ATOM 340 O ARG A 22 -7.930 -11.770 2.314 1.00 0.00 O ATOM 341 CB ARG A 22 -4.885 -12.984 2.600 1.00 0.00 C ATOM 342 CG ARG A 22 -4.253 -14.100 1.783 1.00 0.00 C ATOM 343 CD ARG A 22 -5.067 -15.381 1.864 1.00 0.00 C ATOM 344 NE ARG A 22 -4.263 -16.561 1.549 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.956 -16.941 0.312 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.382 -16.238 -0.731 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.219 -18.026 0.115 1.00 0.00 N ATOM 0 H ARG A 22 -3.732 -10.980 1.743 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.976 -12.404 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.111 -12.495 3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.596 -13.418 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.168 -13.787 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.241 -14.287 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.484 -15.483 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.908 -15.320 1.173 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.917 -17.126 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.948 -15.402 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.143 -16.534 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.888 -18.569 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.984 -18.317 -0.834 1.00 0.00 H new ATOM 361 N LEU A 23 -6.507 -10.410 3.405 1.00 0.00 N ATOM 362 CA LEU A 23 -7.546 -9.775 4.206 1.00 0.00 C ATOM 363 C LEU A 23 -8.601 -9.137 3.307 1.00 0.00 C ATOM 364 O LEU A 23 -9.795 -9.401 3.445 1.00 0.00 O ATOM 365 CB LEU A 23 -6.923 -8.720 5.129 1.00 0.00 C ATOM 366 CG LEU A 23 -7.881 -7.653 5.669 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.346 -7.063 6.962 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.096 -6.556 4.636 1.00 0.00 C ATOM 0 H LEU A 23 -5.566 -10.061 3.586 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.032 -10.536 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.465 -9.231 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.121 -8.219 4.587 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.841 -8.127 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.039 -6.307 7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.240 -7.853 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.374 -6.605 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.779 -5.807 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.141 -6.087 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.522 -6.988 3.730 1.00 0.00 H new ATOM 380 N LEU A 24 -8.146 -8.299 2.382 1.00 0.00 N ATOM 381 CA LEU A 24 -9.045 -7.620 1.456 1.00 0.00 C ATOM 382 C LEU A 24 -9.887 -8.626 0.682 1.00 0.00 C ATOM 383 O LEU A 24 -11.106 -8.479 0.579 1.00 0.00 O ATOM 384 CB LEU A 24 -8.244 -6.750 0.489 1.00 0.00 C ATOM 385 CG LEU A 24 -7.688 -5.464 1.096 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.344 -5.119 0.483 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.668 -4.319 0.905 1.00 0.00 C ATOM 0 H LEU A 24 -7.160 -8.074 2.253 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.716 -6.985 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.415 -7.338 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.881 -6.490 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.546 -5.624 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.966 -4.199 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.640 -5.930 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.459 -4.980 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.256 -3.410 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.841 -4.162 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.611 -4.562 1.394 1.00 0.00 H new ATOM 399 N THR A 25 -9.235 -9.654 0.149 1.00 0.00 N ATOM 400 CA THR A 25 -9.933 -10.689 -0.605 1.00 0.00 C ATOM 401 C THR A 25 -11.052 -11.288 0.240 1.00 0.00 C ATOM 402 O THR A 25 -12.126 -11.614 -0.265 1.00 0.00 O ATOM 403 CB THR A 25 -8.959 -11.785 -1.037 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.887 -11.238 -1.784 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.606 -12.861 -1.882 1.00 0.00 C ATOM 0 H THR A 25 -8.227 -9.793 0.225 1.00 0.00 H new ATOM 0 HA THR A 25 -10.365 -10.236 -1.497 1.00 0.00 H new ATOM 0 HB THR A 25 -8.604 -12.237 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.270 -10.774 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.860 -13.607 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.406 -13.337 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.019 -12.414 -2.786 1.00 0.00 H new ATOM 413 N VAL A 26 -10.789 -11.414 1.537 1.00 0.00 N ATOM 414 CA VAL A 26 -11.764 -11.957 2.475 1.00 0.00 C ATOM 415 C VAL A 26 -12.814 -10.908 2.828 1.00 0.00 C ATOM 416 O VAL A 26 -13.955 -11.240 3.150 1.00 0.00 O ATOM 417 CB VAL A 26 -11.078 -12.442 3.768 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.086 -13.083 4.708 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.952 -13.412 3.441 1.00 0.00 C ATOM 0 H VAL A 26 -9.902 -11.145 1.964 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.248 -12.805 1.990 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.650 -11.576 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.578 -13.417 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.853 -12.355 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.550 -13.938 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.478 -13.745 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.357 -14.274 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.213 -12.914 2.814 1.00 0.00 H new ATOM 429 N LYS A 27 -12.418 -9.640 2.762 1.00 0.00 N ATOM 430 CA LYS A 27 -13.319 -8.537 3.070 1.00 0.00 C ATOM 431 C LYS A 27 -14.239 -8.237 1.887 1.00 0.00 C ATOM 432 O LYS A 27 -15.302 -7.639 2.054 1.00 0.00 O ATOM 433 CB LYS A 27 -12.514 -7.286 3.438 1.00 0.00 C ATOM 434 CG LYS A 27 -12.657 -6.874 4.896 1.00 0.00 C ATOM 435 CD LYS A 27 -11.433 -7.261 5.709 1.00 0.00 C ATOM 436 CE LYS A 27 -11.817 -7.763 7.091 1.00 0.00 C ATOM 437 NZ LYS A 27 -12.860 -8.824 7.026 1.00 0.00 N ATOM 0 H LYS A 27 -11.476 -9.352 2.497 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.937 -8.828 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.461 -7.466 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.833 -6.460 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.809 -5.796 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.542 -7.346 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.875 -8.035 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.771 -6.400 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.932 -8.154 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.183 -6.930 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.705 -9.511 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.801 -8.393 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.804 -9.310 6.108 1.00 0.00 H new ATOM 451 N LYS A 28 -13.825 -8.658 0.692 1.00 0.00 N ATOM 452 CA LYS A 28 -14.611 -8.436 -0.518 1.00 0.00 C ATOM 453 C LYS A 28 -14.585 -6.964 -0.924 1.00 0.00 C ATOM 454 O LYS A 28 -15.618 -6.294 -0.934 1.00 0.00 O ATOM 455 CB LYS A 28 -16.056 -8.899 -0.315 1.00 0.00 C ATOM 456 CG LYS A 28 -16.172 -10.251 0.370 1.00 0.00 C ATOM 457 CD LYS A 28 -17.342 -11.054 -0.176 1.00 0.00 C ATOM 458 CE LYS A 28 -16.898 -12.010 -1.271 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.007 -12.897 -1.718 1.00 0.00 N ATOM 0 H LYS A 28 -12.948 -9.155 0.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.163 -9.023 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.587 -8.154 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.552 -8.948 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.248 -10.812 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.298 -10.107 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.808 -11.617 0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.099 -10.375 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.524 -11.439 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.070 -12.619 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.663 -13.533 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.347 -13.460 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.787 -12.318 -2.089 1.00 0.00 H new ATOM 473 N GLN A 29 -13.399 -6.469 -1.258 1.00 0.00 N ATOM 474 CA GLN A 29 -13.241 -5.078 -1.662 1.00 0.00 C ATOM 475 C GLN A 29 -12.416 -4.969 -2.941 1.00 0.00 C ATOM 476 O GLN A 29 -11.448 -5.707 -3.129 1.00 0.00 O ATOM 477 CB GLN A 29 -12.570 -4.275 -0.544 1.00 0.00 C ATOM 478 CG GLN A 29 -13.543 -3.434 0.266 1.00 0.00 C ATOM 479 CD GLN A 29 -14.559 -4.273 1.016 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.220 -4.970 1.972 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.813 -4.210 0.585 1.00 0.00 N ATOM 0 H GLN A 29 -12.534 -7.010 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.233 -4.669 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.051 -4.962 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.813 -3.622 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.985 -2.825 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.066 -2.748 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.049 -3.619 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.540 -4.753 1.051 1.00 0.00 H new ATOM 490 N PRO A 30 -12.776 -4.031 -3.836 1.00 0.00 N ATOM 491 CA PRO A 30 -12.051 -3.822 -5.090 1.00 0.00 C ATOM 492 C PRO A 30 -10.738 -3.092 -4.853 1.00 0.00 C ATOM 493 O PRO A 30 -10.721 -2.012 -4.264 1.00 0.00 O ATOM 494 CB PRO A 30 -13.007 -2.949 -5.899 1.00 0.00 C ATOM 495 CG PRO A 30 -13.736 -2.163 -4.869 1.00 0.00 C ATOM 496 CD PRO A 30 -13.906 -3.089 -3.692 1.00 0.00 C ATOM 0 HA PRO A 30 -11.786 -4.756 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.468 -2.300 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.689 -3.553 -6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.175 -1.272 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.702 -1.826 -5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.862 -2.550 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.866 -3.605 -3.721 1.00 0.00 H new ATOM 504 N PHE A 31 -9.637 -3.683 -5.297 1.00 0.00 N ATOM 505 CA PHE A 31 -8.333 -3.070 -5.104 1.00 0.00 C ATOM 506 C PHE A 31 -7.308 -3.568 -6.116 1.00 0.00 C ATOM 507 O PHE A 31 -7.513 -4.586 -6.780 1.00 0.00 O ATOM 508 CB PHE A 31 -7.850 -3.322 -3.689 1.00 0.00 C ATOM 509 CG PHE A 31 -7.207 -4.660 -3.520 1.00 0.00 C ATOM 510 CD1 PHE A 31 -5.871 -4.834 -3.813 1.00 0.00 C ATOM 511 CD2 PHE A 31 -7.949 -5.747 -3.097 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.278 -6.070 -3.686 1.00 0.00 C ATOM 513 CE2 PHE A 31 -7.365 -6.989 -2.964 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.025 -7.154 -3.260 1.00 0.00 C ATOM 0 H PHE A 31 -9.621 -4.577 -5.788 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.443 -1.997 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.138 -2.545 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.694 -3.241 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.283 -3.991 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.997 -5.622 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.231 -6.193 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.953 -7.831 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.563 -8.125 -3.159 1.00 0.00 H new ATOM 524 N GLU A 32 -6.199 -2.841 -6.220 1.00 0.00 N ATOM 525 CA GLU A 32 -5.133 -3.206 -7.147 1.00 0.00 C ATOM 526 C GLU A 32 -3.764 -2.877 -6.562 1.00 0.00 C ATOM 527 O GLU A 32 -3.597 -1.875 -5.866 1.00 0.00 O ATOM 528 CB GLU A 32 -5.316 -2.484 -8.484 1.00 0.00 C ATOM 529 CG GLU A 32 -5.874 -3.375 -9.583 1.00 0.00 C ATOM 530 CD GLU A 32 -4.803 -4.215 -10.251 1.00 0.00 C ATOM 531 OE1 GLU A 32 -4.454 -5.281 -9.700 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.314 -3.808 -11.325 1.00 0.00 O ATOM 0 H GLU A 32 -6.016 -1.998 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.188 -4.282 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.985 -1.635 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.355 -2.082 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.636 -4.031 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.366 -2.756 -10.333 1.00 0.00 H new ATOM 539 N PHE A 33 -2.788 -3.730 -6.852 1.00 0.00 N ATOM 540 CA PHE A 33 -1.433 -3.547 -6.365 1.00 0.00 C ATOM 541 C PHE A 33 -0.613 -2.705 -7.335 1.00 0.00 C ATOM 542 O PHE A 33 -0.876 -2.691 -8.537 1.00 0.00 O ATOM 543 CB PHE A 33 -0.769 -4.908 -6.175 1.00 0.00 C ATOM 544 CG PHE A 33 0.398 -4.867 -5.242 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.196 -4.798 -3.879 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.692 -4.891 -5.729 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.268 -4.750 -3.008 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.770 -4.844 -4.866 1.00 0.00 C ATOM 549 CZ PHE A 33 2.556 -4.772 -3.502 1.00 0.00 C ATOM 0 H PHE A 33 -2.916 -4.562 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.478 -3.023 -5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.506 -5.615 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.439 -5.283 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.811 -4.781 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.862 -4.947 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.098 -4.695 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.777 -4.863 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.396 -4.733 -2.824 1.00 0.00 H new ATOM 559 N ILE A 34 0.387 -2.012 -6.801 1.00 0.00 N ATOM 560 CA ILE A 34 1.261 -1.174 -7.612 1.00 0.00 C ATOM 561 C ILE A 34 2.684 -1.226 -7.082 1.00 0.00 C ATOM 562 O ILE A 34 2.949 -0.869 -5.934 1.00 0.00 O ATOM 563 CB ILE A 34 0.794 0.293 -7.641 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.727 0.372 -7.780 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.475 1.041 -8.778 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.294 1.738 -7.460 1.00 0.00 C ATOM 0 H ILE A 34 0.612 -2.015 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 34 1.223 -1.568 -8.628 1.00 0.00 H new ATOM 0 HB ILE A 34 1.074 0.764 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.005 0.102 -8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.183 -0.365 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.136 2.077 -8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.555 1.014 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.222 0.568 -9.727 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.377 1.719 -7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.047 2.003 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.867 2.477 -8.138 1.00 0.00 H new ATOM 578 N ASN A 35 3.589 -1.683 -7.925 1.00 0.00 N ATOM 579 CA ASN A 35 4.995 -1.797 -7.560 1.00 0.00 C ATOM 580 C ASN A 35 5.649 -0.424 -7.495 1.00 0.00 C ATOM 581 O ASN A 35 5.851 0.227 -8.519 1.00 0.00 O ATOM 582 CB ASN A 35 5.737 -2.684 -8.562 1.00 0.00 C ATOM 583 CG ASN A 35 5.451 -2.297 -10.000 1.00 0.00 C ATOM 584 OD1 ASN A 35 5.945 -1.282 -10.493 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.647 -3.104 -10.682 1.00 0.00 N ATOM 0 H ASN A 35 3.377 -1.985 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 35 5.053 -2.255 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.809 -2.618 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.450 -3.724 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.417 -2.893 -11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.259 -3.935 -10.235 1.00 0.00 H new ATOM 592 N ILE A 36 5.979 0.011 -6.284 1.00 0.00 N ATOM 593 CA ILE A 36 6.614 1.307 -6.091 1.00 0.00 C ATOM 594 C ILE A 36 8.043 1.298 -6.628 1.00 0.00 C ATOM 595 O ILE A 36 8.588 2.342 -6.987 1.00 0.00 O ATOM 596 CB ILE A 36 6.625 1.720 -4.605 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.489 0.759 -3.782 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.206 1.768 -4.059 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.721 1.412 -3.195 1.00 0.00 C ATOM 0 H ILE A 36 5.817 -0.514 -5.424 1.00 0.00 H new ATOM 0 HA ILE A 36 6.025 2.036 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 36 7.059 2.717 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.887 0.343 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.795 -0.075 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.230 2.061 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.623 2.494 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.747 0.783 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.287 0.675 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.343 1.804 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.422 2.228 -2.537 1.00 0.00 H new ATOM 611 N MET A 37 8.644 0.112 -6.687 1.00 0.00 N ATOM 612 CA MET A 37 10.005 -0.023 -7.189 1.00 0.00 C ATOM 613 C MET A 37 10.080 -1.067 -8.302 1.00 0.00 C ATOM 614 O MET A 37 10.282 -2.253 -8.039 1.00 0.00 O ATOM 615 CB MET A 37 10.970 -0.393 -6.055 1.00 0.00 C ATOM 616 CG MET A 37 12.372 -0.746 -6.538 1.00 0.00 C ATOM 617 SD MET A 37 13.638 -0.548 -5.266 1.00 0.00 S ATOM 618 CE MET A 37 12.740 -1.029 -3.793 1.00 0.00 C ATOM 0 H MET A 37 8.211 -0.764 -6.395 1.00 0.00 H new ATOM 0 HA MET A 37 10.302 0.942 -7.601 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.035 0.442 -5.357 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.561 -1.239 -5.503 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.378 -1.778 -6.889 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.624 -0.117 -7.392 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.446 -1.317 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.137 -0.191 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.090 -1.873 -4.023 1.00 0.00 H new ATOM 628 N PRO A 38 9.925 -0.636 -9.566 1.00 0.00 N ATOM 629 CA PRO A 38 9.985 -1.536 -10.718 1.00 0.00 C ATOM 630 C PRO A 38 11.422 -1.854 -11.129 1.00 0.00 C ATOM 631 O PRO A 38 11.653 -2.588 -12.091 1.00 0.00 O ATOM 632 CB PRO A 38 9.282 -0.735 -11.809 1.00 0.00 C ATOM 633 CG PRO A 38 9.580 0.688 -11.477 1.00 0.00 C ATOM 634 CD PRO A 38 9.683 0.762 -9.974 1.00 0.00 C ATOM 0 HA PRO A 38 9.529 -2.505 -10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.656 -0.999 -12.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.209 -0.926 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.510 1.010 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.793 1.346 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.497 1.416 -9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.769 1.155 -9.530 1.00 0.00 H new ATOM 642 N GLU A 39 12.383 -1.296 -10.397 1.00 0.00 N ATOM 643 CA GLU A 39 13.794 -1.516 -10.685 1.00 0.00 C ATOM 644 C GLU A 39 14.585 -1.693 -9.394 1.00 0.00 C ATOM 645 O GLU A 39 14.362 -0.979 -8.418 1.00 0.00 O ATOM 646 CB GLU A 39 14.360 -0.343 -11.488 1.00 0.00 C ATOM 647 CG GLU A 39 15.601 -0.696 -12.289 1.00 0.00 C ATOM 648 CD GLU A 39 16.276 0.522 -12.888 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.568 1.356 -13.490 1.00 0.00 O ATOM 650 OE2 GLU A 39 17.511 0.643 -12.754 1.00 0.00 O ATOM 0 H GLU A 39 12.207 -0.687 -9.598 1.00 0.00 H new ATOM 0 HA GLU A 39 13.885 -2.427 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.592 0.025 -12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.599 0.472 -10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.308 -1.218 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.329 -1.385 -13.088 1.00 0.00 H new ATOM 657 N LYS A 40 15.513 -2.647 -9.397 1.00 0.00 N ATOM 658 CA LYS A 40 16.335 -2.914 -8.218 1.00 0.00 C ATOM 659 C LYS A 40 17.260 -1.751 -7.898 1.00 0.00 C ATOM 660 O LYS A 40 17.904 -1.717 -6.849 1.00 0.00 O ATOM 661 CB LYS A 40 17.143 -4.199 -8.402 1.00 0.00 C ATOM 662 CG LYS A 40 16.401 -5.451 -7.965 1.00 0.00 C ATOM 663 CD LYS A 40 17.359 -6.599 -7.690 1.00 0.00 C ATOM 664 CE LYS A 40 16.760 -7.604 -6.718 1.00 0.00 C ATOM 665 NZ LYS A 40 17.810 -8.358 -5.980 1.00 0.00 N ATOM 0 H LYS A 40 15.714 -3.246 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 40 15.658 -3.041 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.419 -4.298 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.070 -4.120 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.821 -5.237 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.693 -5.744 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.607 -7.100 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.291 -6.207 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.120 -7.083 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.127 -8.304 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.360 -9.032 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.406 -8.876 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.399 -7.693 -5.438 1.00 0.00 H new ATOM 679 N GLY A 41 17.304 -0.804 -8.804 1.00 0.00 N ATOM 680 CA GLY A 41 18.137 0.369 -8.629 1.00 0.00 C ATOM 681 C GLY A 41 17.452 1.436 -7.799 1.00 0.00 C ATOM 682 O GLY A 41 17.908 1.769 -6.705 1.00 0.00 O ATOM 0 H GLY A 41 16.772 -0.820 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.072 0.081 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.394 0.779 -9.605 1.00 0.00 H new ATOM 686 N VAL A 42 16.349 1.966 -8.318 1.00 0.00 N ATOM 687 CA VAL A 42 15.597 2.998 -7.617 1.00 0.00 C ATOM 688 C VAL A 42 14.115 2.931 -7.967 1.00 0.00 C ATOM 689 O VAL A 42 13.753 2.705 -9.122 1.00 0.00 O ATOM 690 CB VAL A 42 16.127 4.405 -7.953 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.475 5.450 -7.061 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.642 4.452 -7.817 1.00 0.00 C ATOM 0 H VAL A 42 15.957 1.698 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 42 15.726 2.813 -6.550 1.00 0.00 H new ATOM 0 HB VAL A 42 15.869 4.631 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.862 6.437 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.396 5.434 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.699 5.229 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.998 5.454 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.923 4.204 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.091 3.733 -8.502 1.00 0.00 H new ATOM 702 N PHE A 43 13.260 3.120 -6.967 1.00 0.00 N ATOM 703 CA PHE A 43 11.817 3.071 -7.187 1.00 0.00 C ATOM 704 C PHE A 43 11.376 4.109 -8.216 1.00 0.00 C ATOM 705 O PHE A 43 12.152 4.981 -8.608 1.00 0.00 O ATOM 706 CB PHE A 43 11.034 3.272 -5.881 1.00 0.00 C ATOM 707 CG PHE A 43 11.746 4.101 -4.851 1.00 0.00 C ATOM 708 CD1 PHE A 43 11.604 5.478 -4.830 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.554 3.499 -3.902 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.257 6.241 -3.880 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.209 4.255 -2.950 1.00 0.00 C ATOM 712 CZ PHE A 43 13.061 5.628 -2.939 1.00 0.00 C ATOM 0 H PHE A 43 13.537 3.307 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 43 11.594 2.076 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.080 3.744 -6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.810 2.295 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.976 5.961 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.674 2.426 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.139 7.314 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.836 3.773 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.573 6.221 -2.196 1.00 0.00 H new ATOM 722 N ASP A 44 10.123 4.001 -8.655 1.00 0.00 N ATOM 723 CA ASP A 44 9.571 4.920 -9.646 1.00 0.00 C ATOM 724 C ASP A 44 9.142 6.237 -9.003 1.00 0.00 C ATOM 725 O ASP A 44 8.121 6.303 -8.320 1.00 0.00 O ATOM 726 CB ASP A 44 8.377 4.276 -10.357 1.00 0.00 C ATOM 727 CG ASP A 44 8.331 4.618 -11.833 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.301 5.822 -12.163 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.324 3.682 -12.660 1.00 0.00 O ATOM 0 H ASP A 44 9.470 3.284 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 44 10.353 5.135 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.428 3.194 -10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.453 4.606 -9.881 1.00 0.00 H new ATOM 734 N ASP A 45 9.927 7.285 -9.230 1.00 0.00 N ATOM 735 CA ASP A 45 9.632 8.603 -8.674 1.00 0.00 C ATOM 736 C ASP A 45 8.275 9.129 -9.147 1.00 0.00 C ATOM 737 O ASP A 45 7.721 10.053 -8.550 1.00 0.00 O ATOM 738 CB ASP A 45 10.732 9.594 -9.058 1.00 0.00 C ATOM 739 CG ASP A 45 10.792 10.784 -8.121 1.00 0.00 C ATOM 740 OD1 ASP A 45 9.955 11.699 -8.267 1.00 0.00 O ATOM 741 OD2 ASP A 45 11.677 10.800 -7.239 1.00 0.00 O ATOM 0 H ASP A 45 10.775 7.248 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 45 9.592 8.500 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.695 9.083 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.562 9.945 -10.076 1.00 0.00 H new ATOM 746 N GLU A 46 7.747 8.546 -10.219 1.00 0.00 N ATOM 747 CA GLU A 46 6.459 8.971 -10.761 1.00 0.00 C ATOM 748 C GLU A 46 5.321 8.644 -9.800 1.00 0.00 C ATOM 749 O GLU A 46 4.616 9.537 -9.330 1.00 0.00 O ATOM 750 CB GLU A 46 6.209 8.304 -12.113 1.00 0.00 C ATOM 751 CG GLU A 46 7.308 8.562 -13.130 1.00 0.00 C ATOM 752 CD GLU A 46 6.872 8.263 -14.551 1.00 0.00 C ATOM 753 OE1 GLU A 46 5.650 8.151 -14.787 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.751 8.141 -15.429 1.00 0.00 O ATOM 0 H GLU A 46 8.189 7.781 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 46 6.491 10.052 -10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.107 7.229 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.261 8.662 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.623 9.603 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.176 7.950 -12.884 1.00 0.00 H new ATOM 761 N LYS A 47 5.145 7.359 -9.518 1.00 0.00 N ATOM 762 CA LYS A 47 4.090 6.917 -8.613 1.00 0.00 C ATOM 763 C LYS A 47 4.339 7.418 -7.196 1.00 0.00 C ATOM 764 O LYS A 47 3.403 7.766 -6.478 1.00 0.00 O ATOM 765 CB LYS A 47 3.982 5.391 -8.619 1.00 0.00 C ATOM 766 CG LYS A 47 5.280 4.685 -8.260 1.00 0.00 C ATOM 767 CD LYS A 47 5.372 3.319 -8.919 1.00 0.00 C ATOM 768 CE LYS A 47 5.347 3.427 -10.436 1.00 0.00 C ATOM 769 NZ LYS A 47 4.009 3.089 -10.997 1.00 0.00 N ATOM 0 H LYS A 47 5.717 6.606 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 47 3.149 7.339 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.207 5.088 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.661 5.062 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.126 5.298 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.347 4.573 -7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.290 2.823 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.543 2.696 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.619 4.440 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.097 2.759 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.038 2.138 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.299 3.111 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.755 3.782 -11.730 1.00 0.00 H new ATOM 783 N ILE A 48 5.607 7.462 -6.800 1.00 0.00 N ATOM 784 CA ILE A 48 5.969 7.931 -5.468 1.00 0.00 C ATOM 785 C ILE A 48 5.743 9.437 -5.354 1.00 0.00 C ATOM 786 O ILE A 48 5.446 9.950 -4.274 1.00 0.00 O ATOM 787 CB ILE A 48 7.442 7.593 -5.129 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.570 6.122 -4.728 1.00 0.00 C ATOM 789 CG2 ILE A 48 7.970 8.488 -4.014 1.00 0.00 C ATOM 790 CD1 ILE A 48 7.881 5.200 -5.885 1.00 0.00 C ATOM 0 H ILE A 48 6.397 7.180 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 48 5.329 7.416 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 48 8.042 7.773 -6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.355 6.026 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.640 5.801 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.006 8.227 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.916 9.530 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.366 8.347 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.957 4.175 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.085 5.265 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.826 5.494 -6.341 1.00 0.00 H new ATOM 802 N ALA A 49 5.880 10.140 -6.474 1.00 0.00 N ATOM 803 CA ALA A 49 5.684 11.584 -6.496 1.00 0.00 C ATOM 804 C ALA A 49 4.256 11.933 -6.097 1.00 0.00 C ATOM 805 O ALA A 49 4.030 12.709 -5.168 1.00 0.00 O ATOM 806 CB ALA A 49 6.003 12.142 -7.875 1.00 0.00 C ATOM 0 H ALA A 49 6.126 9.733 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 49 6.364 12.037 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.852 13.221 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.041 11.921 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.346 11.684 -8.614 1.00 0.00 H new ATOM 812 N GLU A 50 3.294 11.344 -6.800 1.00 0.00 N ATOM 813 CA GLU A 50 1.885 11.582 -6.513 1.00 0.00 C ATOM 814 C GLU A 50 1.559 11.148 -5.088 1.00 0.00 C ATOM 815 O GLU A 50 0.735 11.764 -4.411 1.00 0.00 O ATOM 816 CB GLU A 50 1.005 10.824 -7.513 1.00 0.00 C ATOM 817 CG GLU A 50 -0.458 10.727 -7.100 1.00 0.00 C ATOM 818 CD GLU A 50 -1.407 11.167 -8.199 1.00 0.00 C ATOM 819 OE1 GLU A 50 -1.805 10.311 -9.017 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.752 12.366 -8.240 1.00 0.00 O ATOM 0 H GLU A 50 3.465 10.699 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 50 1.683 12.649 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.066 11.318 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.403 9.818 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.685 9.698 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.623 11.342 -6.215 1.00 0.00 H new ATOM 827 N LEU A 51 2.221 10.087 -4.637 1.00 0.00 N ATOM 828 CA LEU A 51 2.013 9.565 -3.297 1.00 0.00 C ATOM 829 C LEU A 51 2.251 10.659 -2.261 1.00 0.00 C ATOM 830 O LEU A 51 1.413 10.906 -1.395 1.00 0.00 O ATOM 831 CB LEU A 51 2.956 8.387 -3.049 1.00 0.00 C ATOM 832 CG LEU A 51 2.540 7.436 -1.932 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.546 6.306 -1.793 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.393 8.175 -0.618 1.00 0.00 C ATOM 0 H LEU A 51 2.909 9.572 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 51 0.983 9.221 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.047 7.816 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.946 8.779 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 51 1.571 7.011 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.233 5.637 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.600 5.750 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.527 6.719 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.096 7.474 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.345 8.634 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.633 8.949 -0.719 1.00 0.00 H new ATOM 846 N LEU A 52 3.399 11.322 -2.371 1.00 0.00 N ATOM 847 CA LEU A 52 3.754 12.397 -1.461 1.00 0.00 C ATOM 848 C LEU A 52 2.665 13.459 -1.407 1.00 0.00 C ATOM 849 O LEU A 52 2.250 13.891 -0.332 1.00 0.00 O ATOM 850 CB LEU A 52 5.058 13.000 -1.899 1.00 0.00 C ATOM 851 CG LEU A 52 6.232 12.068 -1.689 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.464 12.692 -2.253 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.410 11.754 -0.212 1.00 0.00 C ATOM 0 H LEU A 52 4.100 11.129 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 52 3.858 11.988 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.995 13.266 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.230 13.924 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 52 6.042 11.127 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.312 12.023 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.326 12.870 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.656 13.639 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.259 11.083 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.591 12.678 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.508 11.276 0.170 1.00 0.00 H new ATOM 865 N THR A 53 2.200 13.868 -2.583 1.00 0.00 N ATOM 866 CA THR A 53 1.150 14.874 -2.683 1.00 0.00 C ATOM 867 C THR A 53 -0.136 14.374 -2.034 1.00 0.00 C ATOM 868 O THR A 53 -0.785 15.097 -1.280 1.00 0.00 O ATOM 869 CB THR A 53 0.892 15.230 -4.149 1.00 0.00 C ATOM 870 OG1 THR A 53 2.095 15.614 -4.790 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.102 16.356 -4.325 1.00 0.00 C ATOM 0 H THR A 53 2.534 13.518 -3.481 1.00 0.00 H new ATOM 0 HA THR A 53 1.482 15.768 -2.155 1.00 0.00 H new ATOM 0 HB THR A 53 0.476 14.328 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.910 15.836 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.239 16.558 -5.387 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.057 16.071 -3.884 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.272 17.252 -3.831 1.00 0.00 H new ATOM 879 N LYS A 54 -0.494 13.127 -2.329 1.00 0.00 N ATOM 880 CA LYS A 54 -1.699 12.523 -1.771 1.00 0.00 C ATOM 881 C LYS A 54 -1.664 12.566 -0.246 1.00 0.00 C ATOM 882 O LYS A 54 -2.674 12.844 0.401 1.00 0.00 O ATOM 883 CB LYS A 54 -1.842 11.078 -2.253 1.00 0.00 C ATOM 884 CG LYS A 54 -2.241 10.962 -3.715 1.00 0.00 C ATOM 885 CD LYS A 54 -2.222 9.516 -4.186 1.00 0.00 C ATOM 886 CE LYS A 54 -3.513 8.797 -3.828 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.606 9.107 -4.791 1.00 0.00 N ATOM 0 H LYS A 54 0.034 12.515 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.560 13.096 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.897 10.557 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.587 10.571 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.239 11.378 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.560 11.554 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.075 9.486 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.377 8.996 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.337 7.721 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.822 9.084 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.469 8.598 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.792 10.130 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.322 8.810 -5.746 1.00 0.00 H new ATOM 901 N LEU A 55 -0.491 12.298 0.319 1.00 0.00 N ATOM 902 CA LEU A 55 -0.316 12.313 1.766 1.00 0.00 C ATOM 903 C LEU A 55 -0.643 13.691 2.331 1.00 0.00 C ATOM 904 O LEU A 55 -1.383 13.816 3.307 1.00 0.00 O ATOM 905 CB LEU A 55 1.120 11.930 2.127 1.00 0.00 C ATOM 906 CG LEU A 55 1.497 10.464 1.873 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.424 9.967 2.963 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.262 9.576 1.797 1.00 0.00 C ATOM 0 H LEU A 55 0.353 12.068 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.000 11.585 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.800 12.565 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.282 12.151 3.182 1.00 0.00 H new ATOM 0 HG LEU A 55 2.009 10.413 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.685 8.926 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.331 10.572 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.925 10.045 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.566 8.545 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.286 9.633 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.379 9.913 0.983 1.00 0.00 H new ATOM 920 N GLY A 56 -0.089 14.723 1.703 1.00 0.00 N ATOM 921 CA GLY A 56 -0.324 16.084 2.146 1.00 0.00 C ATOM 922 C GLY A 56 0.627 17.071 1.495 1.00 0.00 C ATOM 923 O GLY A 56 0.564 17.301 0.288 1.00 0.00 O ATOM 0 H GLY A 56 0.522 14.639 0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.351 16.367 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.213 16.136 3.229 1.00 0.00 H new ATOM 927 N ARG A 57 1.515 17.650 2.297 1.00 0.00 N ATOM 928 CA ARG A 57 2.492 18.611 1.796 1.00 0.00 C ATOM 929 C ARG A 57 3.760 18.564 2.633 1.00 0.00 C ATOM 930 O ARG A 57 4.420 19.581 2.843 1.00 0.00 O ATOM 931 CB ARG A 57 1.907 20.024 1.810 1.00 0.00 C ATOM 932 CG ARG A 57 0.753 20.212 0.842 1.00 0.00 C ATOM 933 CD ARG A 57 0.748 21.609 0.239 1.00 0.00 C ATOM 934 NE ARG A 57 -0.520 22.300 0.466 1.00 0.00 N ATOM 935 CZ ARG A 57 -0.830 22.929 1.598 1.00 0.00 C ATOM 936 NH1 ARG A 57 0.027 22.951 2.611 1.00 0.00 N ATOM 937 NH2 ARG A 57 -2.002 23.538 1.717 1.00 0.00 N ATOM 0 H ARG A 57 1.578 17.470 3.299 1.00 0.00 H new ATOM 0 HA ARG A 57 2.740 18.344 0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.566 20.257 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.695 20.737 1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.822 19.472 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.190 20.036 1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.561 22.193 0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.937 21.542 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.208 22.300 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.930 22.484 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.217 23.435 3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.665 23.524 0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.241 24.020 2.584 1.00 0.00 H new ATOM 951 N ASP A 58 4.087 17.372 3.116 1.00 0.00 N ATOM 952 CA ASP A 58 5.270 17.175 3.941 1.00 0.00 C ATOM 953 C ASP A 58 6.220 16.160 3.300 1.00 0.00 C ATOM 954 O ASP A 58 6.324 16.078 2.075 1.00 0.00 O ATOM 955 CB ASP A 58 4.850 16.718 5.344 1.00 0.00 C ATOM 956 CG ASP A 58 3.665 17.499 5.881 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.732 18.746 5.894 1.00 0.00 O ATOM 958 OD2 ASP A 58 2.671 16.862 6.289 1.00 0.00 O ATOM 0 H ASP A 58 3.546 16.524 2.949 1.00 0.00 H new ATOM 0 HA ASP A 58 5.804 18.122 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.600 15.658 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.693 16.829 6.026 1.00 0.00 H new ATOM 963 N THR A 59 6.916 15.395 4.135 1.00 0.00 N ATOM 964 CA THR A 59 7.863 14.391 3.667 1.00 0.00 C ATOM 965 C THR A 59 7.463 13.002 4.155 1.00 0.00 C ATOM 966 O THR A 59 6.538 12.859 4.954 1.00 0.00 O ATOM 967 CB THR A 59 9.277 14.728 4.148 1.00 0.00 C ATOM 968 OG1 THR A 59 10.220 13.820 3.608 1.00 0.00 O ATOM 969 CG2 THR A 59 9.420 14.699 5.654 1.00 0.00 C ATOM 0 H THR A 59 6.840 15.454 5.150 1.00 0.00 H new ATOM 0 HA THR A 59 7.850 14.393 2.577 1.00 0.00 H new ATOM 0 HB THR A 59 9.465 15.744 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.117 14.053 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.446 14.947 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.741 15.426 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.177 13.703 6.023 1.00 0.00 H new ATOM 977 N GLN A 60 8.166 11.981 3.676 1.00 0.00 N ATOM 978 CA GLN A 60 7.879 10.613 4.073 1.00 0.00 C ATOM 979 C GLN A 60 8.217 10.423 5.541 1.00 0.00 C ATOM 980 O GLN A 60 9.374 10.233 5.915 1.00 0.00 O ATOM 981 CB GLN A 60 8.683 9.627 3.225 1.00 0.00 C ATOM 982 CG GLN A 60 10.179 9.902 3.232 1.00 0.00 C ATOM 983 CD GLN A 60 10.800 9.803 1.852 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.376 8.777 1.492 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.689 10.873 1.073 1.00 0.00 N ATOM 0 H GLN A 60 8.936 12.077 3.014 1.00 0.00 H new ATOM 0 HA GLN A 60 6.818 10.421 3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.506 8.616 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.320 9.662 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.359 10.898 3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.671 9.194 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.203 11.703 1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.090 10.865 0.135 1.00 0.00 H new ATOM 994 N ILE A 61 7.187 10.499 6.362 1.00 0.00 N ATOM 995 CA ILE A 61 7.336 10.364 7.807 1.00 0.00 C ATOM 996 C ILE A 61 7.568 8.916 8.221 1.00 0.00 C ATOM 997 O ILE A 61 6.656 8.242 8.698 1.00 0.00 O ATOM 998 CB ILE A 61 6.096 10.903 8.552 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.594 12.197 7.904 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.420 11.131 10.023 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.369 12.774 8.577 1.00 0.00 C ATOM 0 H ILE A 61 6.227 10.655 6.053 1.00 0.00 H new ATOM 0 HA ILE A 61 8.210 10.954 8.081 1.00 0.00 H new ATOM 0 HB ILE A 61 5.302 10.159 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.393 12.938 7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.366 12.004 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.536 11.511 10.536 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.727 10.189 10.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.229 11.856 10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.070 13.689 8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.555 12.051 8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.598 12.999 9.619 1.00 0.00 H new ATOM 1013 N GLY A 62 8.803 8.450 8.044 1.00 0.00 N ATOM 1014 CA GLY A 62 9.160 7.089 8.411 1.00 0.00 C ATOM 1015 C GLY A 62 8.109 6.074 8.014 1.00 0.00 C ATOM 1016 O GLY A 62 7.985 5.021 8.639 1.00 0.00 O ATOM 0 H GLY A 62 9.569 8.996 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.107 6.828 7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.317 7.038 9.488 1.00 0.00 H new ATOM 1020 N LEU A 63 7.349 6.393 6.976 1.00 0.00 N ATOM 1021 CA LEU A 63 6.300 5.496 6.504 1.00 0.00 C ATOM 1022 C LEU A 63 6.895 4.288 5.785 1.00 0.00 C ATOM 1023 O LEU A 63 7.864 4.413 5.035 1.00 0.00 O ATOM 1024 CB LEU A 63 5.331 6.240 5.580 1.00 0.00 C ATOM 1025 CG LEU A 63 3.907 6.382 6.122 1.00 0.00 C ATOM 1026 CD1 LEU A 63 3.277 5.013 6.325 1.00 0.00 C ATOM 1027 CD2 LEU A 63 3.915 7.163 7.426 1.00 0.00 C ATOM 0 H LEU A 63 7.437 7.260 6.446 1.00 0.00 H new ATOM 0 HA LEU A 63 5.748 5.138 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.731 7.235 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.290 5.718 4.624 1.00 0.00 H new ATOM 0 HG LEU A 63 3.310 6.930 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.265 5.132 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.243 4.484 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.872 4.441 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.896 7.257 7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.525 6.638 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.330 8.156 7.253 1.00 0.00 H new ATOM 1039 N THR A 64 6.309 3.118 6.026 1.00 0.00 N ATOM 1040 CA THR A 64 6.780 1.885 5.408 1.00 0.00 C ATOM 1041 C THR A 64 5.830 1.414 4.311 1.00 0.00 C ATOM 1042 O THR A 64 4.731 1.946 4.150 1.00 0.00 O ATOM 1043 CB THR A 64 6.938 0.790 6.461 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.672 0.292 6.860 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.663 1.253 7.708 1.00 0.00 C ATOM 0 H THR A 64 5.507 2.999 6.645 1.00 0.00 H new ATOM 0 HA THR A 64 7.749 2.092 4.954 1.00 0.00 H new ATOM 0 HB THR A 64 7.536 0.015 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.794 -0.409 7.533 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.740 0.425 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.663 1.596 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.109 2.071 8.168 1.00 0.00 H new ATOM 1053 N MET A 65 6.266 0.409 3.560 1.00 0.00 N ATOM 1054 CA MET A 65 5.468 -0.146 2.478 1.00 0.00 C ATOM 1055 C MET A 65 4.939 -1.529 2.846 1.00 0.00 C ATOM 1056 O MET A 65 5.507 -2.209 3.700 1.00 0.00 O ATOM 1057 CB MET A 65 6.304 -0.230 1.197 1.00 0.00 C ATOM 1058 CG MET A 65 7.191 0.985 0.967 1.00 0.00 C ATOM 1059 SD MET A 65 6.841 1.821 -0.592 1.00 0.00 S ATOM 1060 CE MET A 65 8.075 3.117 -0.561 1.00 0.00 C ATOM 0 H MET A 65 7.174 -0.039 3.684 1.00 0.00 H new ATOM 0 HA MET A 65 4.617 0.514 2.309 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.928 -1.122 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.636 -0.348 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.057 1.688 1.789 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.236 0.674 0.981 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.943 3.766 -1.426 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.965 3.702 0.352 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.070 2.673 -0.590 1.00 0.00 H new ATOM 1070 N PRO A 66 3.833 -1.964 2.215 1.00 0.00 N ATOM 1071 CA PRO A 66 3.115 -1.203 1.194 1.00 0.00 C ATOM 1072 C PRO A 66 2.123 -0.203 1.781 1.00 0.00 C ATOM 1073 O PRO A 66 1.456 -0.484 2.777 1.00 0.00 O ATOM 1074 CB PRO A 66 2.359 -2.289 0.404 1.00 0.00 C ATOM 1075 CG PRO A 66 2.732 -3.590 1.043 1.00 0.00 C ATOM 1076 CD PRO A 66 3.190 -3.256 2.430 1.00 0.00 C ATOM 0 HA PRO A 66 3.799 -0.603 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.282 -2.126 0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.641 -2.275 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.881 -4.270 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.522 -4.088 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.359 -3.190 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.883 -3.999 2.824 1.00 0.00 H new ATOM 1084 N GLN A 67 2.011 0.953 1.134 1.00 0.00 N ATOM 1085 CA GLN A 67 1.080 1.986 1.570 1.00 0.00 C ATOM 1086 C GLN A 67 -0.212 1.877 0.773 1.00 0.00 C ATOM 1087 O GLN A 67 -0.185 1.750 -0.448 1.00 0.00 O ATOM 1088 CB GLN A 67 1.695 3.375 1.386 1.00 0.00 C ATOM 1089 CG GLN A 67 2.636 3.778 2.510 1.00 0.00 C ATOM 1090 CD GLN A 67 3.409 5.045 2.198 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.135 6.106 2.759 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.382 4.940 1.300 1.00 0.00 N ATOM 0 H GLN A 67 2.554 1.197 0.306 1.00 0.00 H new ATOM 0 HA GLN A 67 0.865 1.843 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.239 3.400 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.894 4.111 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.062 3.923 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.338 2.966 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.575 4.040 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.937 5.759 1.051 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.345 1.906 1.456 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.622 1.792 0.771 1.00 0.00 C ATOM 1103 C VAL A 68 -3.305 3.145 0.639 1.00 0.00 C ATOM 1104 O VAL A 68 -2.964 4.097 1.338 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.568 0.806 1.483 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.644 0.321 0.526 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.793 -0.371 2.059 1.00 0.00 C ATOM 0 H VAL A 68 -1.407 2.006 2.469 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.405 1.406 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.048 1.330 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.304 -0.375 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.223 1.172 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.178 -0.183 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.483 -1.053 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.280 -0.897 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.060 -0.007 2.779 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.277 3.221 -0.265 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.011 4.458 -0.493 1.00 0.00 C ATOM 1119 C PHE A 69 -6.484 4.169 -0.762 1.00 0.00 C ATOM 1120 O PHE A 69 -6.825 3.304 -1.569 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.398 5.224 -1.665 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.263 6.119 -1.260 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.507 7.420 -0.854 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.954 5.660 -1.282 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.467 8.249 -0.476 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.911 6.483 -0.905 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.167 7.779 -0.502 1.00 0.00 C ATOM 0 H PHE A 69 -4.573 2.440 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.942 5.072 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.042 4.512 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.172 5.824 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.521 7.791 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.748 4.648 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.670 9.262 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.104 6.114 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.353 8.424 -0.208 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.350 4.888 -0.056 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.793 4.707 -0.185 1.00 0.00 C ATOM 1139 C ALA A 70 -9.308 5.105 -1.567 1.00 0.00 C ATOM 1140 O ALA A 70 -8.787 6.025 -2.198 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.516 5.500 0.892 1.00 0.00 C ATOM 0 H ALA A 70 -7.076 5.606 0.615 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.999 3.644 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.592 5.359 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.198 5.152 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.277 6.558 0.787 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.361 4.414 -2.045 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.980 4.687 -3.350 1.00 0.00 C ATOM 1149 C PRO A 71 -11.202 6.177 -3.594 1.00 0.00 C ATOM 1150 O PRO A 71 -11.027 6.668 -4.709 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.319 3.960 -3.236 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.024 2.798 -2.359 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.044 3.311 -1.339 1.00 0.00 C ATOM 0 HA PRO A 71 -10.357 4.360 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.086 4.602 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.684 3.641 -4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.930 2.425 -1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.601 1.971 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.548 3.662 -0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.342 2.536 -1.031 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.596 6.890 -2.543 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.851 8.323 -2.639 1.00 0.00 C ATOM 1163 C ASP A 72 -10.551 9.104 -2.796 1.00 0.00 C ATOM 1164 O ASP A 72 -10.490 10.084 -3.540 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.611 8.808 -1.405 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.982 9.357 -1.748 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.594 8.863 -2.717 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.443 10.280 -1.045 1.00 0.00 O ATOM 0 H ASP A 72 -11.746 6.498 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.461 8.499 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.719 7.983 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.028 9.581 -0.904 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.513 8.673 -2.086 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.234 9.351 -2.163 1.00 0.00 C ATOM 1175 C GLY A 73 -7.713 9.763 -0.801 1.00 0.00 C ATOM 1176 O GLY A 73 -7.815 10.929 -0.418 1.00 0.00 O ATOM 0 H GLY A 73 -9.536 7.868 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.507 8.696 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.332 10.235 -2.793 1.00 0.00 H new ATOM 1180 N SER A 74 -7.153 8.808 -0.067 1.00 0.00 N ATOM 1181 CA SER A 74 -6.612 9.078 1.259 1.00 0.00 C ATOM 1182 C SER A 74 -5.697 7.945 1.714 1.00 0.00 C ATOM 1183 O SER A 74 -5.905 6.787 1.356 1.00 0.00 O ATOM 1184 CB SER A 74 -7.746 9.270 2.267 1.00 0.00 C ATOM 1185 OG SER A 74 -8.639 10.285 1.844 1.00 0.00 O ATOM 0 H SER A 74 -7.062 7.838 -0.369 1.00 0.00 H new ATOM 0 HA SER A 74 -6.026 9.995 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.289 8.333 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.331 9.530 3.241 1.00 0.00 H new ATOM 0 HG SER A 74 -8.151 10.950 1.315 1.00 0.00 H new ATOM 1191 N HIS A 75 -4.684 8.289 2.502 1.00 0.00 N ATOM 1192 CA HIS A 75 -3.736 7.302 3.003 1.00 0.00 C ATOM 1193 C HIS A 75 -4.350 6.483 4.134 1.00 0.00 C ATOM 1194 O HIS A 75 -4.524 6.978 5.247 1.00 0.00 O ATOM 1195 CB HIS A 75 -2.462 7.996 3.494 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.265 7.099 3.538 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -0.225 7.253 4.428 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -0.950 6.020 2.777 1.00 0.00 C ATOM 1199 CE1 HIS A 75 0.671 6.287 4.184 1.00 0.00 C ATOM 1200 NE2 HIS A 75 0.278 5.511 3.192 1.00 0.00 N ATOM 0 H HIS A 75 -4.499 9.244 2.807 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.484 6.626 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.246 8.843 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.640 8.399 4.491 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.150 7.974 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.555 5.620 1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.595 6.160 4.729 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.679 5.229 3.842 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.274 4.345 4.836 1.00 0.00 C ATOM 1210 C ILE A 76 -4.233 3.868 5.843 1.00 0.00 C ATOM 1211 O ILE A 76 -4.440 3.958 7.052 1.00 0.00 O ATOM 1212 CB ILE A 76 -5.938 3.119 4.179 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -6.912 3.561 3.085 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.655 2.277 5.225 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -6.846 2.706 1.838 1.00 0.00 C ATOM 0 H ILE A 76 -4.543 4.803 2.925 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.038 4.925 5.354 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.160 2.508 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.927 3.535 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.701 4.596 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.118 1.416 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.937 1.934 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.424 2.878 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.563 3.076 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.841 2.752 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.087 1.674 2.092 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.112 3.360 5.337 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.059 2.881 6.215 1.00 0.00 C ATOM 1229 C GLY A 77 -1.554 1.505 5.830 1.00 0.00 C ATOM 1230 O GLY A 77 -1.614 1.114 4.663 1.00 0.00 O ATOM 0 H GLY A 77 -2.915 3.272 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.228 3.586 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.431 2.853 7.239 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.044 0.778 6.817 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.519 -0.555 6.572 1.00 0.00 C ATOM 1236 C GLY A 78 -1.530 -1.648 6.867 1.00 0.00 C ATOM 1237 O GLY A 78 -2.699 -1.539 6.498 1.00 0.00 O ATOM 0 H GLY A 78 -0.984 1.088 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.202 -0.630 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.367 -0.710 7.187 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.076 -2.709 7.532 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.947 -3.832 7.871 1.00 0.00 C ATOM 1243 C PHE A 79 -2.928 -3.453 8.976 1.00 0.00 C ATOM 1244 O PHE A 79 -4.126 -3.313 8.733 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.115 -5.041 8.306 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.923 -6.297 8.472 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.553 -6.879 7.384 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -2.058 -6.890 9.717 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.304 -8.029 7.534 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.807 -8.041 9.873 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.431 -8.612 8.780 1.00 0.00 C ATOM 0 H PHE A 79 -0.111 -2.814 7.846 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.517 -4.093 6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.332 -5.217 7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.619 -4.810 9.249 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.456 -6.429 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.573 -6.448 10.575 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.791 -8.472 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.905 -8.494 10.849 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.016 -9.512 8.900 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.413 -3.286 10.191 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.249 -2.924 11.331 1.00 0.00 C ATOM 1263 C ASP A 80 -3.995 -1.623 11.061 1.00 0.00 C ATOM 1264 O ASP A 80 -5.173 -1.486 11.396 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.396 -2.781 12.593 1.00 0.00 C ATOM 1266 CG ASP A 80 -3.238 -2.701 13.852 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -4.180 -1.883 13.884 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.954 -3.457 14.805 1.00 0.00 O ATOM 0 H ASP A 80 -1.423 -3.395 10.411 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.978 -3.720 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.716 -3.630 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.780 -1.885 12.513 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.298 -0.670 10.452 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.888 0.623 10.132 1.00 0.00 C ATOM 1275 C GLN A 81 -5.106 0.455 9.233 1.00 0.00 C ATOM 1276 O GLN A 81 -6.104 1.160 9.383 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.856 1.522 9.451 1.00 0.00 C ATOM 1278 CG GLN A 81 -3.060 3.002 9.730 1.00 0.00 C ATOM 1279 CD GLN A 81 -2.759 3.370 11.169 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.602 3.378 11.590 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -3.801 3.675 11.933 1.00 0.00 N ATOM 0 H GLN A 81 -2.323 -0.770 10.170 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.208 1.091 11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.859 1.232 9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.895 1.355 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.419 3.585 9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.090 3.273 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.743 3.655 11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.660 3.929 12.911 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.020 -0.486 8.297 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.119 -0.743 7.376 1.00 0.00 C ATOM 1292 C LEU A 82 -7.248 -1.501 8.058 1.00 0.00 C ATOM 1293 O LEU A 82 -8.419 -1.181 7.862 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.643 -1.498 6.152 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.683 -1.544 5.042 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.158 -0.916 3.766 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.123 -2.965 4.809 1.00 0.00 C ATOM 0 H LEU A 82 -4.203 -1.081 8.158 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.504 0.225 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.735 -1.029 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.380 -2.516 6.439 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.548 -0.959 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.926 -0.965 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.898 0.126 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.272 -1.456 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.867 -2.990 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.263 -3.569 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.558 -3.366 5.725 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.906 -2.490 8.879 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.923 -3.254 9.597 1.00 0.00 C ATOM 1311 C ARG A 83 -8.863 -2.293 10.314 1.00 0.00 C ATOM 1312 O ARG A 83 -10.050 -2.573 10.482 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.273 -4.209 10.601 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.093 -5.621 10.069 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.279 -6.658 11.166 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.001 -7.168 11.659 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.264 -6.555 12.585 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.673 -5.413 13.123 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -4.115 -7.090 12.975 1.00 0.00 N ATOM 0 H ARG A 83 -5.945 -2.779 9.063 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.490 -3.850 8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.300 -3.812 10.890 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.883 -4.245 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.810 -5.804 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.098 -5.723 9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.836 -6.216 11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.877 -7.486 10.785 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.653 -8.045 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.557 -4.998 12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.103 -4.950 13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.797 -7.969 12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.549 -6.623 13.683 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.321 -1.142 10.706 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.107 -0.116 11.371 1.00 0.00 C ATOM 1335 C GLU A 84 -10.059 0.516 10.367 1.00 0.00 C ATOM 1336 O GLU A 84 -11.201 0.844 10.692 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.196 0.950 11.983 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.846 0.689 13.439 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.146 1.866 14.090 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.587 2.706 13.353 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -7.159 1.949 15.336 1.00 0.00 O ATOM 0 H GLU A 84 -7.339 -0.900 10.572 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.681 -0.573 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.276 1.007 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.684 1.922 11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.757 0.461 13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.206 -0.191 13.503 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.585 0.656 9.130 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.396 1.212 8.061 1.00 0.00 C ATOM 1350 C TYR A 85 -11.579 0.290 7.798 1.00 0.00 C ATOM 1351 O TYR A 85 -12.675 0.737 7.461 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.549 1.366 6.795 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.208 2.173 5.700 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.285 1.665 4.987 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.744 3.440 5.375 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -11.882 2.398 3.979 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.337 4.181 4.371 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.404 3.655 3.676 1.00 0.00 C ATOM 1359 OH TYR A 85 -11.996 4.389 2.673 1.00 0.00 O ATOM 0 H TYR A 85 -8.641 0.390 8.848 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.767 2.195 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.603 1.839 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.312 0.375 6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.662 0.681 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.906 3.853 5.916 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.718 1.988 3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.966 5.167 4.132 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.712 5.324 2.741 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.340 -1.008 7.979 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.366 -2.029 7.780 1.00 0.00 C ATOM 1371 C PHE A 86 -13.146 -2.289 9.068 1.00 0.00 C ATOM 1372 O PHE A 86 -14.198 -2.927 9.046 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.711 -3.328 7.296 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.405 -3.333 5.825 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.312 -2.825 4.909 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.201 -3.831 5.359 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.023 -2.813 3.559 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.904 -3.819 4.012 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.815 -3.309 3.110 1.00 0.00 C ATOM 0 H PHE A 86 -10.435 -1.380 8.266 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.068 -1.668 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.787 -3.489 7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.370 -4.165 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.257 -2.433 5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.484 -4.234 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.740 -2.417 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.959 -4.209 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.584 -3.298 2.055 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.628 -1.791 10.189 1.00 0.00 N ATOM 1390 CA LYS A 87 -13.282 -1.972 11.481 1.00 0.00 C ATOM 1391 C LYS A 87 -13.080 -0.746 12.367 1.00 0.00 C ATOM 1392 O LYS A 87 -11.933 -0.512 12.801 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.735 -3.216 12.184 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.064 -4.516 11.468 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.510 -5.718 12.216 1.00 0.00 C ATOM 1396 CE LYS A 87 -12.834 -7.018 11.498 1.00 0.00 C ATOM 1397 NZ LYS A 87 -12.929 -8.165 12.443 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.072 -0.029 12.618 1.00 0.00 O ATOM 0 H LYS A 87 -11.758 -1.260 10.228 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.350 -2.102 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.653 -3.125 12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.137 -3.257 13.196 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.145 -4.614 11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.652 -4.492 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.430 -5.617 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.925 -5.744 13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.776 -6.911 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.064 -7.223 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.151 -9.033 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.022 -8.283 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.681 -7.981 13.138 1.00 0.00 H new TER 1412 LYS A 87