USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 891 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 94 MET CE :methyl 141:sc= -1.46 (180deg=-3.05!) USER MOD Set 1.2: A 105 CYS SG : rot 170:sc= -3.6! USER MOD Set 2.1: A 13 THR OG1 : rot -127:sc=0.000697 USER MOD Set 2.2: A 99 GLN :FLIP amide:sc= -0.896 F(o=-2,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 177:sc= 0 (180deg=-0.0119) USER MOD Single : A 8 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.7!) USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= -0.244 (180deg=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 81:sc= -0.601 USER MOD Single : A 19 THR OG1 : rot -150:sc=-0.00932 USER MOD Single : A 25 ASN : amide:sc= -2.62! C(o=-2.6!,f=-8.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 113:sc= -0.82 USER MOD Single : A 34 TYR OH : rot 103:sc= -0.74! USER MOD Single : A 35 SER OG : rot 180:sc= -1.01 USER MOD Single : A 36 SER OG : rot -83:sc= 0.527 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 178:sc= -1.08 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.56 F(o=-2.1,f=-0.56) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 53 SER OG : rot -101:sc= -1.64! USER MOD Single : A 60 SER OG : rot -97:sc= 0.9 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.477 F(o=-2,f=-0.48) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 0.216 (180deg=0.118) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00803 USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.484 (180deg=-0.728) USER MOD Single : A 97 MET CE :methyl -110:sc= -2.86! (180deg=-4.21!) USER MOD Single : A 104 CYS SG : rot 40:sc= -0.918! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.097 14.828 -19.257 1.00 0.00 N ATOM 2 CA GLY A 1 2.648 14.188 -18.030 1.00 0.00 C ATOM 3 C GLY A 1 3.678 15.055 -17.335 1.00 0.00 C ATOM 4 O GLY A 1 4.687 15.435 -17.931 1.00 0.00 O ATOM 0 H1 GLY A 1 1.398 14.195 -19.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.640 15.727 -19.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.869 15.009 -19.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.833 13.973 -17.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.101 13.233 -18.295 1.00 0.00 H new ATOM 10 N ALA A 2 3.425 15.370 -16.067 1.00 0.00 N ATOM 11 CA ALA A 2 4.338 16.198 -15.287 1.00 0.00 C ATOM 12 C ALA A 2 4.154 15.955 -13.794 1.00 0.00 C ATOM 13 O ALA A 2 5.109 16.028 -13.021 1.00 0.00 O ATOM 14 CB ALA A 2 4.127 17.670 -15.615 1.00 0.00 C ATOM 0 H ALA A 2 2.595 15.064 -15.559 1.00 0.00 H new ATOM 0 HA ALA A 2 5.359 15.922 -15.552 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.815 18.276 -15.026 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.314 17.837 -16.676 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.101 17.952 -15.379 1.00 0.00 H new ATOM 20 N MET A 3 2.920 15.667 -13.395 1.00 0.00 N ATOM 21 CA MET A 3 2.608 15.413 -11.993 1.00 0.00 C ATOM 22 C MET A 3 1.950 14.044 -11.826 1.00 0.00 C ATOM 23 O MET A 3 2.160 13.142 -12.639 1.00 0.00 O ATOM 24 CB MET A 3 1.689 16.510 -11.448 1.00 0.00 C ATOM 25 CG MET A 3 2.069 17.909 -11.908 1.00 0.00 C ATOM 26 SD MET A 3 2.885 18.870 -10.619 1.00 0.00 S ATOM 27 CE MET A 3 4.553 18.954 -11.262 1.00 0.00 C ATOM 0 H MET A 3 2.119 15.604 -14.023 1.00 0.00 H new ATOM 0 HA MET A 3 3.540 15.419 -11.427 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.665 16.301 -11.757 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.706 16.478 -10.359 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.728 17.836 -12.773 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.172 18.435 -12.235 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.168 19.564 -10.600 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.971 17.949 -11.321 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.538 19.400 -12.256 1.00 0.00 H new ATOM 37 N ASP A 4 1.155 13.893 -10.769 1.00 0.00 N ATOM 38 CA ASP A 4 0.468 12.635 -10.500 1.00 0.00 C ATOM 39 C ASP A 4 -1.049 12.819 -10.545 1.00 0.00 C ATOM 40 O ASP A 4 -1.711 12.826 -9.506 1.00 0.00 O ATOM 41 CB ASP A 4 0.884 12.079 -9.137 1.00 0.00 C ATOM 42 CG ASP A 4 2.144 12.733 -8.602 1.00 0.00 C ATOM 43 OD1 ASP A 4 3.223 12.512 -9.190 1.00 0.00 O ATOM 44 OD2 ASP A 4 2.052 13.465 -7.593 1.00 0.00 O ATOM 0 H ASP A 4 0.972 14.627 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 4 0.754 11.925 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.072 12.226 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.044 11.004 -9.220 1.00 0.00 H new ATOM 49 N PRO A 5 -1.620 12.973 -11.753 1.00 0.00 N ATOM 50 CA PRO A 5 -3.061 13.157 -11.924 1.00 0.00 C ATOM 51 C PRO A 5 -3.826 11.837 -11.879 1.00 0.00 C ATOM 52 O PRO A 5 -4.857 11.728 -11.215 1.00 0.00 O ATOM 53 CB PRO A 5 -3.160 13.790 -13.310 1.00 0.00 C ATOM 54 CG PRO A 5 -1.999 13.237 -14.061 1.00 0.00 C ATOM 55 CD PRO A 5 -0.911 12.978 -13.047 1.00 0.00 C ATOM 0 HA PRO A 5 -3.499 13.759 -11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.103 13.536 -13.795 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.113 14.878 -13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.274 12.317 -14.577 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.660 13.940 -14.822 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.412 12.027 -13.232 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.144 13.752 -13.079 1.00 0.00 H new ATOM 63 N GLU A 6 -3.315 10.838 -12.593 1.00 0.00 N ATOM 64 CA GLU A 6 -3.948 9.525 -12.637 1.00 0.00 C ATOM 65 C GLU A 6 -2.951 8.462 -13.085 1.00 0.00 C ATOM 66 O GLU A 6 -3.332 7.338 -13.416 1.00 0.00 O ATOM 67 CB GLU A 6 -5.152 9.548 -13.580 1.00 0.00 C ATOM 68 CG GLU A 6 -4.793 9.895 -15.016 1.00 0.00 C ATOM 69 CD GLU A 6 -5.261 8.843 -16.004 1.00 0.00 C ATOM 70 OE1 GLU A 6 -6.417 8.936 -16.465 1.00 0.00 O ATOM 71 OE2 GLU A 6 -4.471 7.928 -16.314 1.00 0.00 O ATOM 0 H GLU A 6 -2.463 10.914 -13.149 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.291 9.276 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.637 8.572 -13.561 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.879 10.272 -13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.237 10.856 -15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.712 10.011 -15.099 1.00 0.00 H new ATOM 78 N PHE A 7 -1.673 8.829 -13.103 1.00 0.00 N ATOM 79 CA PHE A 7 -0.616 7.914 -13.515 1.00 0.00 C ATOM 80 C PHE A 7 -0.515 6.724 -12.566 1.00 0.00 C ATOM 81 O PHE A 7 -0.215 5.607 -12.990 1.00 0.00 O ATOM 82 CB PHE A 7 0.725 8.647 -13.579 1.00 0.00 C ATOM 83 CG PHE A 7 1.884 7.758 -13.934 1.00 0.00 C ATOM 84 CD1 PHE A 7 2.007 7.232 -15.209 1.00 0.00 C ATOM 85 CD2 PHE A 7 2.851 7.449 -12.991 1.00 0.00 C ATOM 86 CE1 PHE A 7 3.072 6.415 -15.540 1.00 0.00 C ATOM 87 CE2 PHE A 7 3.919 6.632 -13.313 1.00 0.00 C ATOM 88 CZ PHE A 7 4.029 6.114 -14.590 1.00 0.00 C ATOM 0 H PHE A 7 -1.345 9.757 -12.836 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.866 7.538 -14.507 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.656 9.449 -14.314 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.920 9.115 -12.614 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.261 7.463 -15.955 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.770 7.851 -11.992 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.156 6.013 -16.539 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.666 6.399 -12.568 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.862 5.475 -14.845 1.00 0.00 H new ATOM 98 N ASN A 8 -0.766 6.965 -11.281 1.00 0.00 N ATOM 99 CA ASN A 8 -0.698 5.902 -10.284 1.00 0.00 C ATOM 100 C ASN A 8 -1.677 6.157 -9.141 1.00 0.00 C ATOM 101 O ASN A 8 -1.834 5.313 -8.260 1.00 0.00 O ATOM 102 CB ASN A 8 0.727 5.773 -9.742 1.00 0.00 C ATOM 103 CG ASN A 8 1.565 4.795 -10.544 1.00 0.00 C ATOM 104 OD1 ASN A 8 1.051 3.823 -11.095 1.00 0.00 O ATOM 105 ND2 ASN A 8 2.868 5.051 -10.611 1.00 0.00 N ATOM 0 H ASN A 8 -1.017 7.881 -10.909 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.979 4.966 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.207 6.752 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.689 5.447 -8.702 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.484 4.429 -11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.252 5.869 -10.138 1.00 0.00 H new ATOM 112 N LYS A 9 -2.334 7.321 -9.180 1.00 0.00 N ATOM 113 CA LYS A 9 -3.321 7.722 -8.166 1.00 0.00 C ATOM 114 C LYS A 9 -2.970 7.217 -6.765 1.00 0.00 C ATOM 115 O LYS A 9 -2.361 7.936 -5.970 1.00 0.00 O ATOM 116 CB LYS A 9 -4.724 7.236 -8.551 1.00 0.00 C ATOM 117 CG LYS A 9 -4.780 6.466 -9.859 1.00 0.00 C ATOM 118 CD LYS A 9 -4.529 4.984 -9.636 1.00 0.00 C ATOM 119 CE LYS A 9 -4.581 4.206 -10.939 1.00 0.00 C ATOM 120 NZ LYS A 9 -3.502 4.620 -11.878 1.00 0.00 N ATOM 0 H LYS A 9 -2.198 8.014 -9.916 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.304 8.811 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.108 6.601 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.388 8.098 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.755 6.606 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.037 6.863 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.554 4.846 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.274 4.588 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.490 3.140 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.551 4.356 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.923 4.916 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.970 5.414 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.858 3.820 -12.042 1.00 0.00 H new ATOM 134 N ALA A 10 -3.368 5.988 -6.458 1.00 0.00 N ATOM 135 CA ALA A 10 -3.102 5.407 -5.150 1.00 0.00 C ATOM 136 C ALA A 10 -1.618 5.126 -4.955 1.00 0.00 C ATOM 137 O ALA A 10 -1.146 4.026 -5.230 1.00 0.00 O ATOM 138 CB ALA A 10 -3.908 4.132 -4.964 1.00 0.00 C ATOM 0 H ALA A 10 -3.875 5.376 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.406 6.133 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.698 3.709 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.971 4.359 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.633 3.412 -5.735 1.00 0.00 H new ATOM 144 N ILE A 11 -0.881 6.124 -4.469 1.00 0.00 N ATOM 145 CA ILE A 11 0.547 5.967 -4.235 1.00 0.00 C ATOM 146 C ILE A 11 0.868 6.034 -2.746 1.00 0.00 C ATOM 147 O ILE A 11 0.739 7.085 -2.118 1.00 0.00 O ATOM 148 CB ILE A 11 1.363 7.044 -4.981 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.253 6.835 -6.490 1.00 0.00 C ATOM 150 CG2 ILE A 11 2.822 7.013 -4.543 1.00 0.00 C ATOM 151 CD1 ILE A 11 0.285 7.783 -7.162 1.00 0.00 C ATOM 0 H ILE A 11 -1.251 7.045 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 11 0.826 4.986 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 11 0.954 8.023 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.239 6.957 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.939 5.810 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.380 7.780 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.884 7.203 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.247 6.034 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.258 7.577 -8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.711 7.645 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.609 8.811 -6.998 1.00 0.00 H new ATOM 163 N PHE A 12 1.297 4.906 -2.191 1.00 0.00 N ATOM 164 CA PHE A 12 1.651 4.833 -0.781 1.00 0.00 C ATOM 165 C PHE A 12 3.144 4.562 -0.629 1.00 0.00 C ATOM 166 O PHE A 12 3.614 3.462 -0.916 1.00 0.00 O ATOM 167 CB PHE A 12 0.853 3.724 -0.085 1.00 0.00 C ATOM 168 CG PHE A 12 -0.497 4.163 0.417 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.597 4.157 -0.426 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.664 4.573 1.730 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.840 4.554 0.032 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.904 4.973 2.195 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.995 4.963 1.344 1.00 0.00 C ATOM 0 H PHE A 12 1.408 4.028 -2.699 1.00 0.00 H new ATOM 0 HA PHE A 12 1.409 5.788 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.719 2.896 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.435 3.344 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.482 3.839 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.184 4.580 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.690 4.545 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.020 5.292 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.965 5.274 1.703 1.00 0.00 H new ATOM 183 N THR A 13 3.886 5.569 -0.176 1.00 0.00 N ATOM 184 CA THR A 13 5.325 5.423 0.007 1.00 0.00 C ATOM 185 C THR A 13 5.655 5.071 1.447 1.00 0.00 C ATOM 186 O THR A 13 5.223 5.753 2.375 1.00 0.00 O ATOM 187 CB THR A 13 6.085 6.702 -0.385 1.00 0.00 C ATOM 188 OG1 THR A 13 5.700 7.120 -1.699 1.00 0.00 O ATOM 189 CG2 THR A 13 7.587 6.463 -0.342 1.00 0.00 C ATOM 0 H THR A 13 3.517 6.488 0.069 1.00 0.00 H new ATOM 0 HA THR A 13 5.644 4.614 -0.650 1.00 0.00 H new ATOM 0 HB THR A 13 5.833 7.486 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.501 7.244 -2.250 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.109 7.378 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.880 6.172 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.849 5.668 -1.040 1.00 0.00 H new ATOM 197 N VAL A 14 6.411 3.993 1.627 1.00 0.00 N ATOM 198 CA VAL A 14 6.790 3.536 2.957 1.00 0.00 C ATOM 199 C VAL A 14 8.235 3.052 2.988 1.00 0.00 C ATOM 200 O VAL A 14 8.878 2.924 1.949 1.00 0.00 O ATOM 201 CB VAL A 14 5.871 2.384 3.431 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.474 2.540 2.855 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.447 1.027 3.047 1.00 0.00 C ATOM 0 H VAL A 14 6.774 3.419 0.866 1.00 0.00 H new ATOM 0 HA VAL A 14 6.683 4.390 3.626 1.00 0.00 H new ATOM 0 HB VAL A 14 5.811 2.435 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.844 1.720 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.048 3.488 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.525 2.524 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.780 0.237 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.548 0.968 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.426 0.903 3.510 1.00 0.00 H new ATOM 213 N ASP A 15 8.726 2.751 4.186 1.00 0.00 N ATOM 214 CA ASP A 15 10.079 2.239 4.353 1.00 0.00 C ATOM 215 C ASP A 15 10.028 0.716 4.366 1.00 0.00 C ATOM 216 O ASP A 15 8.977 0.139 4.623 1.00 0.00 O ATOM 217 CB ASP A 15 10.706 2.765 5.648 1.00 0.00 C ATOM 218 CG ASP A 15 9.698 2.885 6.774 1.00 0.00 C ATOM 219 OD1 ASP A 15 8.964 1.908 7.021 1.00 0.00 O ATOM 220 OD2 ASP A 15 9.643 3.959 7.409 1.00 0.00 O ATOM 0 H ASP A 15 8.205 2.854 5.057 1.00 0.00 H new ATOM 0 HA ASP A 15 10.699 2.580 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.511 2.098 5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.154 3.741 5.461 1.00 0.00 H new ATOM 225 N ALA A 16 11.139 0.055 4.071 1.00 0.00 N ATOM 226 CA ALA A 16 11.152 -1.403 4.046 1.00 0.00 C ATOM 227 C ALA A 16 11.408 -1.993 5.424 1.00 0.00 C ATOM 228 O ALA A 16 11.101 -3.161 5.672 1.00 0.00 O ATOM 229 CB ALA A 16 12.177 -1.900 3.038 1.00 0.00 C ATOM 0 H ALA A 16 12.031 0.496 3.849 1.00 0.00 H new ATOM 0 HA ALA A 16 10.163 -1.741 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.178 -2.990 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.922 -1.528 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.167 -1.539 3.317 1.00 0.00 H new ATOM 235 N LYS A 17 11.958 -1.189 6.317 1.00 0.00 N ATOM 236 CA LYS A 17 12.233 -1.645 7.670 1.00 0.00 C ATOM 237 C LYS A 17 10.932 -1.850 8.439 1.00 0.00 C ATOM 238 O LYS A 17 10.650 -2.944 8.929 1.00 0.00 O ATOM 239 CB LYS A 17 13.116 -0.633 8.399 1.00 0.00 C ATOM 240 CG LYS A 17 14.293 -1.261 9.127 1.00 0.00 C ATOM 241 CD LYS A 17 14.888 -0.309 10.151 1.00 0.00 C ATOM 242 CE LYS A 17 13.952 -0.103 11.332 1.00 0.00 C ATOM 243 NZ LYS A 17 14.495 -0.704 12.581 1.00 0.00 N ATOM 0 H LYS A 17 12.222 -0.221 6.132 1.00 0.00 H new ATOM 0 HA LYS A 17 12.759 -2.598 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.492 0.093 7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.507 -0.084 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.969 -2.175 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.059 -1.545 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.841 -0.703 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.096 0.651 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.788 0.964 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.982 -0.546 11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.828 -0.542 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.628 -1.726 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.409 -0.264 12.809 1.00 0.00 H new ATOM 257 N THR A 18 10.161 -0.775 8.564 1.00 0.00 N ATOM 258 CA THR A 18 8.908 -0.834 9.309 1.00 0.00 C ATOM 259 C THR A 18 7.664 -0.757 8.432 1.00 0.00 C ATOM 260 O THR A 18 6.547 -0.916 8.926 1.00 0.00 O ATOM 261 CB THR A 18 8.835 0.250 10.404 1.00 0.00 C ATOM 262 OG1 THR A 18 7.824 1.212 10.080 1.00 0.00 O ATOM 263 CG2 THR A 18 10.174 0.955 10.570 1.00 0.00 C ATOM 0 H THR A 18 10.378 0.138 8.164 1.00 0.00 H new ATOM 0 HA THR A 18 8.914 -1.819 9.776 1.00 0.00 H new ATOM 0 HB THR A 18 8.584 -0.241 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.945 0.861 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.092 1.714 11.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.936 0.228 10.851 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.455 1.429 9.630 1.00 0.00 H new ATOM 271 N THR A 19 7.852 -0.513 7.149 1.00 0.00 N ATOM 272 CA THR A 19 6.729 -0.418 6.214 1.00 0.00 C ATOM 273 C THR A 19 5.864 0.805 6.507 1.00 0.00 C ATOM 274 O THR A 19 4.834 1.017 5.867 1.00 0.00 O ATOM 275 CB THR A 19 5.848 -1.679 6.260 1.00 0.00 C ATOM 276 OG1 THR A 19 6.665 -2.842 6.442 1.00 0.00 O ATOM 277 CG2 THR A 19 5.035 -1.822 4.983 1.00 0.00 C ATOM 0 H THR A 19 8.769 -0.376 6.723 1.00 0.00 H new ATOM 0 HA THR A 19 7.160 -0.322 5.218 1.00 0.00 H new ATOM 0 HB THR A 19 5.160 -1.581 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.236 -3.613 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.421 -2.721 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.392 -0.950 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.709 -1.897 4.129 1.00 0.00 H new ATOM 285 N GLU A 20 6.290 1.610 7.475 1.00 0.00 N ATOM 286 CA GLU A 20 5.558 2.814 7.845 1.00 0.00 C ATOM 287 C GLU A 20 5.456 3.754 6.652 1.00 0.00 C ATOM 288 O GLU A 20 6.469 4.175 6.093 1.00 0.00 O ATOM 289 CB GLU A 20 6.248 3.522 9.012 1.00 0.00 C ATOM 290 CG GLU A 20 5.589 4.833 9.408 1.00 0.00 C ATOM 291 CD GLU A 20 6.596 5.894 9.808 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.231 6.480 8.906 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.753 6.136 11.023 1.00 0.00 O ATOM 0 H GLU A 20 7.139 1.449 8.017 1.00 0.00 H new ATOM 0 HA GLU A 20 4.554 2.526 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.258 2.856 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.287 3.714 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.991 5.201 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.905 4.655 10.238 1.00 0.00 H new ATOM 300 N ILE A 21 4.229 4.071 6.261 1.00 0.00 N ATOM 301 CA ILE A 21 3.998 4.955 5.127 1.00 0.00 C ATOM 302 C ILE A 21 4.588 6.338 5.373 1.00 0.00 C ATOM 303 O ILE A 21 4.010 7.155 6.092 1.00 0.00 O ATOM 304 CB ILE A 21 2.496 5.085 4.799 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.725 3.858 5.293 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.303 5.255 3.302 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.667 4.184 6.324 1.00 0.00 C ATOM 0 H ILE A 21 3.380 3.730 6.711 1.00 0.00 H new ATOM 0 HA ILE A 21 4.501 4.503 4.272 1.00 0.00 H new ATOM 0 HB ILE A 21 2.106 5.965 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.252 3.369 4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.429 3.144 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.240 5.346 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.821 6.154 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.709 4.387 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.161 3.268 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.136 4.646 7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.059 4.874 5.894 1.00 0.00 H new ATOM 319 N LEU A 22 5.750 6.585 4.773 1.00 0.00 N ATOM 320 CA LEU A 22 6.443 7.862 4.920 1.00 0.00 C ATOM 321 C LEU A 22 5.543 9.032 4.525 1.00 0.00 C ATOM 322 O LEU A 22 5.573 10.085 5.162 1.00 0.00 O ATOM 323 CB LEU A 22 7.721 7.885 4.074 1.00 0.00 C ATOM 324 CG LEU A 22 8.357 6.521 3.797 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.470 6.653 2.771 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.886 5.907 5.086 1.00 0.00 C ATOM 0 H LEU A 22 6.234 5.913 4.177 1.00 0.00 H new ATOM 0 HA LEU A 22 6.708 7.970 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.495 8.361 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.456 8.513 4.577 1.00 0.00 H new ATOM 0 HG LEU A 22 7.592 5.859 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.912 5.674 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.062 7.049 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.235 7.331 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.335 4.937 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.638 6.566 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.065 5.778 5.791 1.00 0.00 H new ATOM 338 N VAL A 23 4.745 8.844 3.472 1.00 0.00 N ATOM 339 CA VAL A 23 3.843 9.893 2.998 1.00 0.00 C ATOM 340 C VAL A 23 2.946 9.391 1.864 1.00 0.00 C ATOM 341 O VAL A 23 3.316 8.475 1.126 1.00 0.00 O ATOM 342 CB VAL A 23 4.643 11.140 2.528 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.289 11.536 1.100 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.415 12.307 3.477 1.00 0.00 C ATOM 0 H VAL A 23 4.706 7.978 2.934 1.00 0.00 H new ATOM 0 HA VAL A 23 3.207 10.176 3.837 1.00 0.00 H new ATOM 0 HB VAL A 23 5.700 10.875 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.870 12.412 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.517 10.710 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.226 11.770 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.982 13.172 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.354 12.555 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.745 12.031 4.479 1.00 0.00 H new ATOM 354 N ALA A 24 1.775 10.011 1.723 1.00 0.00 N ATOM 355 CA ALA A 24 0.829 9.648 0.671 1.00 0.00 C ATOM 356 C ALA A 24 0.299 10.898 -0.023 1.00 0.00 C ATOM 357 O ALA A 24 0.414 12.003 0.503 1.00 0.00 O ATOM 358 CB ALA A 24 -0.316 8.827 1.237 1.00 0.00 C ATOM 0 H ALA A 24 1.459 10.770 2.327 1.00 0.00 H new ATOM 0 HA ALA A 24 1.353 9.039 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.008 8.568 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.077 7.915 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.840 9.408 1.996 1.00 0.00 H new ATOM 364 N ASN A 25 -0.249 10.726 -1.224 1.00 0.00 N ATOM 365 CA ASN A 25 -0.751 11.861 -1.991 1.00 0.00 C ATOM 366 C ASN A 25 -2.270 12.022 -1.911 1.00 0.00 C ATOM 367 O ASN A 25 -2.976 11.211 -1.313 1.00 0.00 O ATOM 368 CB ASN A 25 -0.316 11.734 -3.453 1.00 0.00 C ATOM 369 CG ASN A 25 -0.817 10.460 -4.108 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.746 9.373 -3.530 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.326 10.587 -5.326 1.00 0.00 N ATOM 0 H ASN A 25 -0.356 9.821 -1.682 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.319 12.756 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.684 12.594 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.772 11.761 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.677 9.767 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.366 11.505 -5.769 1.00 0.00 H new ATOM 378 N ASP A 26 -2.743 13.109 -2.522 1.00 0.00 N ATOM 379 CA ASP A 26 -4.164 13.456 -2.550 1.00 0.00 C ATOM 380 C ASP A 26 -4.973 12.489 -3.404 1.00 0.00 C ATOM 381 O ASP A 26 -6.202 12.558 -3.426 1.00 0.00 O ATOM 382 CB ASP A 26 -4.351 14.884 -3.065 1.00 0.00 C ATOM 383 CG ASP A 26 -3.979 15.927 -2.028 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.770 16.206 -1.877 1.00 0.00 O ATOM 385 OD2 ASP A 26 -4.894 16.463 -1.369 1.00 0.00 O ATOM 0 H ASP A 26 -2.148 13.776 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.534 13.384 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.741 15.028 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.390 15.027 -3.363 1.00 0.00 H new ATOM 390 N LYS A 27 -4.295 11.568 -4.076 1.00 0.00 N ATOM 391 CA LYS A 27 -4.983 10.575 -4.888 1.00 0.00 C ATOM 392 C LYS A 27 -5.192 9.318 -4.059 1.00 0.00 C ATOM 393 O LYS A 27 -6.325 8.910 -3.803 1.00 0.00 O ATOM 394 CB LYS A 27 -4.187 10.253 -6.152 1.00 0.00 C ATOM 395 CG LYS A 27 -3.859 11.468 -7.001 1.00 0.00 C ATOM 396 CD LYS A 27 -4.914 11.702 -8.071 1.00 0.00 C ATOM 397 CE LYS A 27 -6.101 12.478 -7.526 1.00 0.00 C ATOM 398 NZ LYS A 27 -7.237 12.501 -8.488 1.00 0.00 N ATOM 0 H LYS A 27 -3.278 11.488 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.948 10.976 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.258 9.759 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.754 9.543 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.784 12.349 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.886 11.332 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.473 12.249 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.254 10.744 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.428 12.030 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.795 13.500 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.027 13.040 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.932 12.952 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.546 11.527 -8.683 1.00 0.00 H new ATOM 412 N ALA A 28 -4.083 8.721 -3.623 1.00 0.00 N ATOM 413 CA ALA A 28 -4.129 7.524 -2.795 1.00 0.00 C ATOM 414 C ALA A 28 -5.076 7.725 -1.624 1.00 0.00 C ATOM 415 O ALA A 28 -5.908 6.871 -1.325 1.00 0.00 O ATOM 416 CB ALA A 28 -2.738 7.189 -2.284 1.00 0.00 C ATOM 0 H ALA A 28 -3.141 9.051 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.494 6.696 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.784 6.292 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.072 7.014 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.359 8.020 -1.690 1.00 0.00 H new ATOM 422 N CYS A 29 -4.939 8.870 -0.969 1.00 0.00 N ATOM 423 CA CYS A 29 -5.781 9.204 0.167 1.00 0.00 C ATOM 424 C CYS A 29 -7.244 9.206 -0.252 1.00 0.00 C ATOM 425 O CYS A 29 -8.105 8.701 0.467 1.00 0.00 O ATOM 426 CB CYS A 29 -5.378 10.569 0.725 1.00 0.00 C ATOM 427 SG CYS A 29 -6.482 11.928 0.271 1.00 0.00 S ATOM 0 H CYS A 29 -4.250 9.584 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.648 8.455 0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.333 10.503 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.372 10.805 0.378 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.100 12.358 1.331 1.00 0.00 H new ATOM 433 N GLY A 30 -7.510 9.761 -1.431 1.00 0.00 N ATOM 434 CA GLY A 30 -8.869 9.795 -1.936 1.00 0.00 C ATOM 435 C GLY A 30 -9.435 8.397 -2.074 1.00 0.00 C ATOM 436 O GLY A 30 -10.611 8.158 -1.800 1.00 0.00 O ATOM 0 H GLY A 30 -6.812 10.185 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.496 10.380 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.888 10.296 -2.904 1.00 0.00 H new ATOM 440 N LEU A 31 -8.576 7.473 -2.497 1.00 0.00 N ATOM 441 CA LEU A 31 -8.957 6.078 -2.674 1.00 0.00 C ATOM 442 C LEU A 31 -9.633 5.549 -1.412 1.00 0.00 C ATOM 443 O LEU A 31 -10.807 5.182 -1.433 1.00 0.00 O ATOM 444 CB LEU A 31 -7.710 5.259 -3.000 1.00 0.00 C ATOM 445 CG LEU A 31 -7.862 3.742 -2.926 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.098 3.104 -4.059 1.00 0.00 C ATOM 447 CD2 LEU A 31 -7.350 3.217 -1.596 1.00 0.00 C ATOM 0 H LEU A 31 -7.602 7.671 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.668 5.995 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.381 5.522 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.916 5.558 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.919 3.490 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.206 2.021 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.491 3.462 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.043 3.367 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.467 2.134 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.296 3.472 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.919 3.668 -0.783 1.00 0.00 H new ATOM 459 N LEU A 32 -8.891 5.539 -0.307 1.00 0.00 N ATOM 460 CA LEU A 32 -9.458 5.079 0.963 1.00 0.00 C ATOM 461 C LEU A 32 -10.172 6.221 1.685 1.00 0.00 C ATOM 462 O LEU A 32 -11.402 6.293 1.685 1.00 0.00 O ATOM 463 CB LEU A 32 -8.417 4.462 1.907 1.00 0.00 C ATOM 464 CG LEU A 32 -6.945 4.588 1.516 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.484 6.036 1.573 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.110 3.724 2.447 1.00 0.00 C ATOM 0 H LEU A 32 -7.916 5.837 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.169 4.295 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.544 4.916 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.647 3.402 2.014 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.819 4.246 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.433 6.095 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.079 6.635 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.609 6.418 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.058 3.808 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.247 4.059 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.426 2.684 2.359 1.00 0.00 H new ATOM 478 N GLY A 33 -9.396 7.106 2.303 1.00 0.00 N ATOM 479 CA GLY A 33 -9.969 8.227 3.027 1.00 0.00 C ATOM 480 C GLY A 33 -8.996 8.817 4.031 1.00 0.00 C ATOM 481 O GLY A 33 -9.402 9.333 5.073 1.00 0.00 O ATOM 0 H GLY A 33 -8.377 7.067 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.271 8.999 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.870 7.900 3.546 1.00 0.00 H new ATOM 485 N TYR A 34 -7.708 8.736 3.713 1.00 0.00 N ATOM 486 CA TYR A 34 -6.659 9.258 4.585 1.00 0.00 C ATOM 487 C TYR A 34 -5.965 10.452 3.929 1.00 0.00 C ATOM 488 O TYR A 34 -6.607 11.252 3.248 1.00 0.00 O ATOM 489 CB TYR A 34 -5.628 8.160 4.874 1.00 0.00 C ATOM 490 CG TYR A 34 -6.121 7.069 5.797 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.137 6.206 5.408 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.559 6.897 7.055 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.581 5.204 6.248 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.998 5.898 7.902 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.008 5.054 7.494 1.00 0.00 C ATOM 496 OH TYR A 34 -7.447 4.057 8.334 1.00 0.00 O ATOM 0 H TYR A 34 -7.363 8.311 2.852 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.114 9.584 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.321 7.710 3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.741 8.617 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.587 6.320 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.765 7.555 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.373 4.541 5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.552 5.779 8.878 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.804 3.317 8.328 1.00 0.00 H new ATOM 506 N SER A 35 -4.647 10.547 4.124 1.00 0.00 N ATOM 507 CA SER A 35 -3.834 11.612 3.544 1.00 0.00 C ATOM 508 C SER A 35 -2.409 11.534 4.070 1.00 0.00 C ATOM 509 O SER A 35 -2.141 10.836 5.045 1.00 0.00 O ATOM 510 CB SER A 35 -4.414 12.991 3.824 1.00 0.00 C ATOM 511 OG SER A 35 -4.439 13.272 5.213 1.00 0.00 O ATOM 0 H SER A 35 -4.116 9.885 4.690 1.00 0.00 H new ATOM 0 HA SER A 35 -3.833 11.466 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.821 13.747 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.425 13.050 3.422 1.00 0.00 H new ATOM 0 HG SER A 35 -4.815 14.165 5.359 1.00 0.00 H new ATOM 517 N SER A 36 -1.504 12.247 3.416 1.00 0.00 N ATOM 518 CA SER A 36 -0.098 12.253 3.808 1.00 0.00 C ATOM 519 C SER A 36 0.073 12.389 5.321 1.00 0.00 C ATOM 520 O SER A 36 0.975 11.792 5.902 1.00 0.00 O ATOM 521 CB SER A 36 0.641 13.396 3.109 1.00 0.00 C ATOM 522 OG SER A 36 -0.237 14.143 2.283 1.00 0.00 O ATOM 0 H SER A 36 -1.717 12.832 2.608 1.00 0.00 H new ATOM 0 HA SER A 36 0.326 11.296 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.090 14.052 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.456 12.992 2.508 1.00 0.00 H new ATOM 0 HG SER A 36 -0.338 13.691 1.419 1.00 0.00 H new ATOM 528 N GLN A 37 -0.779 13.192 5.948 1.00 0.00 N ATOM 529 CA GLN A 37 -0.696 13.415 7.390 1.00 0.00 C ATOM 530 C GLN A 37 -1.706 12.574 8.172 1.00 0.00 C ATOM 531 O GLN A 37 -1.631 12.490 9.398 1.00 0.00 O ATOM 532 CB GLN A 37 -0.905 14.898 7.702 1.00 0.00 C ATOM 533 CG GLN A 37 -2.303 15.403 7.382 1.00 0.00 C ATOM 534 CD GLN A 37 -2.335 16.890 7.082 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.689 17.305 5.979 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.964 17.701 8.067 1.00 0.00 N ATOM 0 H GLN A 37 -1.533 13.699 5.484 1.00 0.00 H new ATOM 0 HA GLN A 37 0.300 13.104 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.700 15.069 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.179 15.484 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.695 14.855 6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.962 15.192 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.678 17.314 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.966 18.711 7.924 1.00 0.00 H new ATOM 545 N ASP A 38 -2.665 11.972 7.473 1.00 0.00 N ATOM 546 CA ASP A 38 -3.694 11.170 8.133 1.00 0.00 C ATOM 547 C ASP A 38 -3.363 9.679 8.136 1.00 0.00 C ATOM 548 O ASP A 38 -4.022 8.900 8.825 1.00 0.00 O ATOM 549 CB ASP A 38 -5.048 11.395 7.457 1.00 0.00 C ATOM 550 CG ASP A 38 -5.698 12.697 7.888 1.00 0.00 C ATOM 551 OD1 ASP A 38 -4.964 13.680 8.115 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.942 12.730 7.998 1.00 0.00 O ATOM 0 H ASP A 38 -2.752 12.023 6.458 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.735 11.497 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.915 11.399 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.712 10.564 7.694 1.00 0.00 H new ATOM 557 N LEU A 39 -2.354 9.276 7.371 1.00 0.00 N ATOM 558 CA LEU A 39 -1.976 7.866 7.308 1.00 0.00 C ATOM 559 C LEU A 39 -0.509 7.659 7.684 1.00 0.00 C ATOM 560 O LEU A 39 -0.097 6.547 8.010 1.00 0.00 O ATOM 561 CB LEU A 39 -2.254 7.299 5.911 1.00 0.00 C ATOM 562 CG LEU A 39 -1.535 8.006 4.766 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.277 7.248 4.376 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.468 8.155 3.575 1.00 0.00 C ATOM 0 H LEU A 39 -1.788 9.896 6.792 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.584 7.328 8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.971 6.246 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.327 7.342 5.726 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.239 9.001 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.222 7.768 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.394 7.191 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.544 6.240 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.944 8.661 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.790 7.169 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.339 8.742 3.866 1.00 0.00 H new ATOM 576 N ILE A 40 0.276 8.734 7.642 1.00 0.00 N ATOM 577 CA ILE A 40 1.693 8.653 7.983 1.00 0.00 C ATOM 578 C ILE A 40 1.883 8.212 9.431 1.00 0.00 C ATOM 579 O ILE A 40 1.139 8.624 10.321 1.00 0.00 O ATOM 580 CB ILE A 40 2.407 10.006 7.757 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.934 9.827 7.814 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.929 11.045 8.763 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.531 9.963 9.202 1.00 0.00 C ATOM 0 H ILE A 40 -0.044 9.666 7.377 1.00 0.00 H new ATOM 0 HA ILE A 40 2.139 7.909 7.323 1.00 0.00 H new ATOM 0 HB ILE A 40 2.151 10.371 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.187 8.844 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.398 10.564 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.445 11.988 8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.855 11.192 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.145 10.699 9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.611 9.822 9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.313 10.956 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.099 9.209 9.860 1.00 0.00 H new ATOM 595 N GLY A 41 2.887 7.369 9.659 1.00 0.00 N ATOM 596 CA GLY A 41 3.159 6.881 10.998 1.00 0.00 C ATOM 597 C GLY A 41 2.800 5.419 11.165 1.00 0.00 C ATOM 598 O GLY A 41 3.471 4.688 11.895 1.00 0.00 O ATOM 0 H GLY A 41 3.517 7.016 8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.216 7.021 11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.597 7.475 11.719 1.00 0.00 H new ATOM 602 N GLN A 42 1.741 4.992 10.485 1.00 0.00 N ATOM 603 CA GLN A 42 1.293 3.606 10.559 1.00 0.00 C ATOM 604 C GLN A 42 1.748 2.827 9.328 1.00 0.00 C ATOM 605 O GLN A 42 2.570 3.307 8.550 1.00 0.00 O ATOM 606 CB GLN A 42 -0.233 3.545 10.679 1.00 0.00 C ATOM 607 CG GLN A 42 -0.833 4.704 11.456 1.00 0.00 C ATOM 608 CD GLN A 42 -2.330 4.834 11.250 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.112 4.043 11.779 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.736 5.835 10.479 1.00 0.00 N ATOM 0 H GLN A 42 1.177 5.586 9.877 1.00 0.00 H new ATOM 0 HA GLN A 42 1.737 3.151 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.666 3.527 9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.513 2.610 11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.627 4.570 12.518 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.347 5.631 11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.053 6.466 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.731 5.973 10.304 1.00 0.00 H new ATOM 619 N LYS A 43 1.204 1.627 9.158 1.00 0.00 N ATOM 620 CA LYS A 43 1.548 0.784 8.018 1.00 0.00 C ATOM 621 C LYS A 43 0.366 0.677 7.064 1.00 0.00 C ATOM 622 O LYS A 43 -0.759 0.431 7.493 1.00 0.00 O ATOM 623 CB LYS A 43 1.967 -0.608 8.492 1.00 0.00 C ATOM 624 CG LYS A 43 3.173 -0.596 9.416 1.00 0.00 C ATOM 625 CD LYS A 43 2.833 -1.152 10.790 1.00 0.00 C ATOM 626 CE LYS A 43 3.838 -2.205 11.230 1.00 0.00 C ATOM 627 NZ LYS A 43 3.866 -2.365 12.710 1.00 0.00 N ATOM 0 H LYS A 43 0.522 1.216 9.796 1.00 0.00 H new ATOM 0 HA LYS A 43 2.385 1.241 7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.128 -1.075 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.191 -1.227 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.977 -1.185 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.544 0.424 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.813 -0.340 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.834 -1.587 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.589 -3.160 10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.831 -1.928 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.564 -3.092 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.129 -1.461 13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.925 -2.654 13.046 1.00 0.00 H new ATOM 641 N LEU A 44 0.623 0.901 5.777 1.00 0.00 N ATOM 642 CA LEU A 44 -0.434 0.862 4.761 1.00 0.00 C ATOM 643 C LEU A 44 -1.385 -0.321 4.944 1.00 0.00 C ATOM 644 O LEU A 44 -2.599 -0.164 4.845 1.00 0.00 O ATOM 645 CB LEU A 44 0.157 0.819 3.344 1.00 0.00 C ATOM 646 CG LEU A 44 1.610 0.344 3.225 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.746 -1.117 3.625 1.00 0.00 C ATOM 648 CD2 LEU A 44 2.106 0.546 1.802 1.00 0.00 C ATOM 0 H LEU A 44 1.551 1.111 5.411 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.007 1.780 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.467 0.166 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.088 1.819 2.915 1.00 0.00 H new ATOM 0 HG LEU A 44 2.219 0.937 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.787 -1.425 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.423 -1.243 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.125 -1.732 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.139 0.206 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.483 -0.027 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.052 1.604 1.544 1.00 0.00 H new ATOM 660 N THR A 45 -0.827 -1.503 5.182 1.00 0.00 N ATOM 661 CA THR A 45 -1.618 -2.724 5.345 1.00 0.00 C ATOM 662 C THR A 45 -2.714 -2.591 6.398 1.00 0.00 C ATOM 663 O THR A 45 -3.599 -3.441 6.487 1.00 0.00 O ATOM 664 CB THR A 45 -0.718 -3.911 5.700 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.099 -3.704 6.975 1.00 0.00 O ATOM 666 CG2 THR A 45 0.341 -4.082 4.635 1.00 0.00 C ATOM 0 H THR A 45 0.179 -1.645 5.267 1.00 0.00 H new ATOM 0 HA THR A 45 -2.103 -2.897 4.385 1.00 0.00 H new ATOM 0 HB THR A 45 -1.328 -4.813 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.447 -4.485 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.980 -4.927 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.137 -4.266 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.945 -3.176 4.573 1.00 0.00 H new ATOM 674 N GLN A 46 -2.667 -1.522 7.176 1.00 0.00 N ATOM 675 CA GLN A 46 -3.674 -1.293 8.199 1.00 0.00 C ATOM 676 C GLN A 46 -5.017 -1.021 7.540 1.00 0.00 C ATOM 677 O GLN A 46 -6.071 -1.194 8.147 1.00 0.00 O ATOM 678 CB GLN A 46 -3.275 -0.115 9.089 1.00 0.00 C ATOM 679 CG GLN A 46 -3.890 -0.161 10.476 1.00 0.00 C ATOM 680 CD GLN A 46 -2.850 -0.129 11.582 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.733 0.546 11.329 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.047 -0.705 12.653 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.946 -0.802 7.119 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.753 -2.183 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.189 -0.094 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.571 0.814 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.568 0.684 10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.489 -1.066 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.919 -1.212 12.807 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.339 -0.675 13.386 1.00 0.00 H new ATOM 691 N PHE A 47 -4.960 -0.567 6.294 1.00 0.00 N ATOM 692 CA PHE A 47 -6.164 -0.239 5.544 1.00 0.00 C ATOM 693 C PHE A 47 -6.333 -1.141 4.323 1.00 0.00 C ATOM 694 O PHE A 47 -6.733 -0.678 3.254 1.00 0.00 O ATOM 695 CB PHE A 47 -6.131 1.229 5.105 1.00 0.00 C ATOM 696 CG PHE A 47 -5.050 2.041 5.771 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.084 2.286 7.135 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.998 2.556 5.028 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.090 3.026 7.747 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.001 3.298 5.635 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.048 3.534 6.996 1.00 0.00 C ATOM 0 H PHE A 47 -4.091 -0.418 5.782 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.016 -0.403 6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.991 1.272 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.098 1.684 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.898 1.894 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.957 2.376 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.128 3.207 8.811 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.186 3.693 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.271 4.115 7.471 1.00 0.00 H new ATOM 711 N PHE A 48 -6.037 -2.430 4.486 1.00 0.00 N ATOM 712 CA PHE A 48 -6.171 -3.391 3.392 1.00 0.00 C ATOM 713 C PHE A 48 -6.554 -4.769 3.918 1.00 0.00 C ATOM 714 O PHE A 48 -6.202 -5.128 5.040 1.00 0.00 O ATOM 715 CB PHE A 48 -4.871 -3.487 2.586 1.00 0.00 C ATOM 716 CG PHE A 48 -4.450 -2.182 1.972 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.182 -1.619 0.941 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.329 -1.518 2.433 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.802 -0.415 0.381 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.942 -0.313 1.876 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.679 0.239 0.849 1.00 0.00 C ATOM 0 H PHE A 48 -5.704 -2.832 5.362 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.966 -3.034 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.075 -3.847 3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.996 -4.228 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.060 -2.127 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.749 -1.945 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.382 0.015 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.063 0.196 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.379 1.180 0.412 1.00 0.00 H new ATOM 731 N LEU A 49 -7.273 -5.521 3.078 1.00 0.00 N ATOM 732 CA LEU A 49 -7.739 -6.880 3.390 1.00 0.00 C ATOM 733 C LEU A 49 -7.396 -7.315 4.814 1.00 0.00 C ATOM 734 O LEU A 49 -6.310 -7.828 5.072 1.00 0.00 O ATOM 735 CB LEU A 49 -7.165 -7.899 2.387 1.00 0.00 C ATOM 736 CG LEU A 49 -5.849 -7.515 1.687 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.072 -6.389 0.689 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.776 -7.133 2.696 1.00 0.00 C ATOM 0 H LEU A 49 -7.552 -5.201 2.151 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.826 -6.854 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.009 -8.842 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.917 -8.082 1.620 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.499 -8.391 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.127 -6.137 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.789 -6.709 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.460 -5.513 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.859 -6.867 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.117 -6.281 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.582 -7.977 3.358 1.00 0.00 H new ATOM 750 N ARG A 50 -8.339 -7.109 5.730 1.00 0.00 N ATOM 751 CA ARG A 50 -8.153 -7.480 7.132 1.00 0.00 C ATOM 752 C ARG A 50 -6.990 -6.717 7.758 1.00 0.00 C ATOM 753 O ARG A 50 -5.827 -6.968 7.447 1.00 0.00 O ATOM 754 CB ARG A 50 -7.923 -8.987 7.266 1.00 0.00 C ATOM 755 CG ARG A 50 -7.948 -9.479 8.704 1.00 0.00 C ATOM 756 CD ARG A 50 -8.041 -10.995 8.772 1.00 0.00 C ATOM 757 NE ARG A 50 -9.072 -11.440 9.707 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.098 -12.212 9.363 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.232 -12.622 8.108 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.990 -12.575 10.274 1.00 0.00 N ATOM 0 H ARG A 50 -9.244 -6.685 5.526 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.064 -7.212 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.688 -9.515 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.961 -9.241 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.048 -9.145 9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.797 -9.037 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.258 -11.390 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.077 -11.404 9.074 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.000 -11.141 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.547 -12.345 7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.020 -13.214 7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.889 -12.262 11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.777 -13.167 10.009 1.00 0.00 H new ATOM 774 N SER A 51 -7.318 -5.777 8.634 1.00 0.00 N ATOM 775 CA SER A 51 -6.311 -4.961 9.304 1.00 0.00 C ATOM 776 C SER A 51 -5.822 -5.597 10.604 1.00 0.00 C ATOM 777 O SER A 51 -4.943 -5.050 11.272 1.00 0.00 O ATOM 778 CB SER A 51 -6.877 -3.574 9.596 1.00 0.00 C ATOM 779 OG SER A 51 -8.110 -3.659 10.288 1.00 0.00 O ATOM 0 H SER A 51 -8.278 -5.559 8.899 1.00 0.00 H new ATOM 0 HA SER A 51 -5.457 -4.884 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.162 -3.004 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.018 -3.032 8.661 1.00 0.00 H new ATOM 0 HG SER A 51 -8.449 -2.757 10.464 1.00 0.00 H new ATOM 785 N ASP A 52 -6.411 -6.727 10.986 1.00 0.00 N ATOM 786 CA ASP A 52 -6.037 -7.384 12.239 1.00 0.00 C ATOM 787 C ASP A 52 -4.839 -8.324 12.092 1.00 0.00 C ATOM 788 O ASP A 52 -3.749 -8.028 12.580 1.00 0.00 O ATOM 789 CB ASP A 52 -7.233 -8.161 12.796 1.00 0.00 C ATOM 790 CG ASP A 52 -7.910 -7.440 13.945 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.233 -7.166 14.956 1.00 0.00 O ATOM 792 OD2 ASP A 52 -9.120 -7.150 13.830 1.00 0.00 O ATOM 0 H ASP A 52 -7.140 -7.203 10.455 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.740 -6.595 12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.957 -8.327 11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.899 -9.142 13.133 1.00 0.00 H new ATOM 797 N SER A 53 -5.053 -9.474 11.455 1.00 0.00 N ATOM 798 CA SER A 53 -3.993 -10.470 11.293 1.00 0.00 C ATOM 799 C SER A 53 -3.243 -10.339 9.968 1.00 0.00 C ATOM 800 O SER A 53 -2.037 -10.578 9.907 1.00 0.00 O ATOM 801 CB SER A 53 -4.576 -11.877 11.413 1.00 0.00 C ATOM 802 OG SER A 53 -5.648 -12.066 10.505 1.00 0.00 O ATOM 0 H SER A 53 -5.948 -9.740 11.043 1.00 0.00 H new ATOM 0 HA SER A 53 -3.271 -10.288 12.089 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.797 -12.614 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.925 -12.043 12.432 1.00 0.00 H new ATOM 0 HG SER A 53 -6.500 -11.981 10.982 1.00 0.00 H new ATOM 808 N ASP A 54 -3.963 -10.003 8.907 1.00 0.00 N ATOM 809 CA ASP A 54 -3.364 -9.890 7.578 1.00 0.00 C ATOM 810 C ASP A 54 -2.204 -8.896 7.539 1.00 0.00 C ATOM 811 O ASP A 54 -1.328 -8.999 6.679 1.00 0.00 O ATOM 812 CB ASP A 54 -4.423 -9.485 6.555 1.00 0.00 C ATOM 813 CG ASP A 54 -4.269 -10.226 5.241 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.407 -9.823 4.431 1.00 0.00 O ATOM 815 OD2 ASP A 54 -5.009 -11.207 5.023 1.00 0.00 O ATOM 0 H ASP A 54 -4.963 -9.803 8.937 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.961 -10.872 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.414 -9.680 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.358 -8.412 6.374 1.00 0.00 H new ATOM 820 N VAL A 55 -2.193 -7.931 8.452 1.00 0.00 N ATOM 821 CA VAL A 55 -1.125 -6.933 8.479 1.00 0.00 C ATOM 822 C VAL A 55 0.107 -7.445 9.219 1.00 0.00 C ATOM 823 O VAL A 55 1.178 -6.847 9.141 1.00 0.00 O ATOM 824 CB VAL A 55 -1.592 -5.601 9.106 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.051 -5.338 8.779 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.368 -5.593 10.612 1.00 0.00 C ATOM 0 H VAL A 55 -2.902 -7.817 9.176 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.856 -6.747 7.439 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.992 -4.799 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.361 -4.395 9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.177 -5.282 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.664 -6.148 9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.706 -4.643 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.931 -6.408 11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.306 -5.723 10.823 1.00 0.00 H new ATOM 836 N VAL A 56 -0.044 -8.551 9.933 1.00 0.00 N ATOM 837 CA VAL A 56 1.067 -9.129 10.679 1.00 0.00 C ATOM 838 C VAL A 56 1.836 -10.133 9.824 1.00 0.00 C ATOM 839 O VAL A 56 3.038 -10.328 10.007 1.00 0.00 O ATOM 840 CB VAL A 56 0.584 -9.829 11.962 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.752 -10.092 12.902 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.488 -8.999 12.652 1.00 0.00 C ATOM 0 H VAL A 56 -0.921 -9.065 10.012 1.00 0.00 H new ATOM 0 HA VAL A 56 1.726 -8.305 10.953 1.00 0.00 H new ATOM 0 HB VAL A 56 0.147 -10.789 11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.390 -10.587 13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.482 -10.731 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.222 -9.146 13.172 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.817 -9.510 13.557 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.080 -8.023 12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.336 -8.869 11.980 1.00 0.00 H new ATOM 852 N GLU A 57 1.133 -10.768 8.890 1.00 0.00 N ATOM 853 CA GLU A 57 1.744 -11.754 8.003 1.00 0.00 C ATOM 854 C GLU A 57 2.271 -11.106 6.722 1.00 0.00 C ATOM 855 O GLU A 57 3.347 -11.455 6.237 1.00 0.00 O ATOM 856 CB GLU A 57 0.739 -12.850 7.651 1.00 0.00 C ATOM 857 CG GLU A 57 -0.669 -12.334 7.398 1.00 0.00 C ATOM 858 CD GLU A 57 -1.685 -13.451 7.256 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.273 -14.630 7.236 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.893 -13.146 7.163 1.00 0.00 O ATOM 0 H GLU A 57 0.137 -10.617 8.728 1.00 0.00 H new ATOM 0 HA GLU A 57 2.588 -12.194 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.087 -13.378 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.709 -13.577 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.965 -11.681 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.672 -11.728 6.492 1.00 0.00 H new ATOM 867 N ALA A 58 1.497 -10.178 6.171 1.00 0.00 N ATOM 868 CA ALA A 58 1.871 -9.498 4.936 1.00 0.00 C ATOM 869 C ALA A 58 3.111 -8.628 5.113 1.00 0.00 C ATOM 870 O ALA A 58 3.833 -8.365 4.152 1.00 0.00 O ATOM 871 CB ALA A 58 0.710 -8.655 4.428 1.00 0.00 C ATOM 0 H ALA A 58 0.604 -9.878 6.561 1.00 0.00 H new ATOM 0 HA ALA A 58 2.112 -10.267 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.001 -8.152 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.149 -9.297 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.445 -7.911 5.179 1.00 0.00 H new ATOM 877 N LEU A 59 3.353 -8.174 6.338 1.00 0.00 N ATOM 878 CA LEU A 59 4.506 -7.328 6.618 1.00 0.00 C ATOM 879 C LEU A 59 5.746 -8.157 6.924 1.00 0.00 C ATOM 880 O LEU A 59 6.834 -7.614 7.113 1.00 0.00 O ATOM 881 CB LEU A 59 4.197 -6.377 7.775 1.00 0.00 C ATOM 882 CG LEU A 59 3.043 -5.403 7.520 1.00 0.00 C ATOM 883 CD1 LEU A 59 2.943 -4.386 8.646 1.00 0.00 C ATOM 884 CD2 LEU A 59 3.211 -4.704 6.178 1.00 0.00 C ATOM 0 H LEU A 59 2.769 -8.377 7.149 1.00 0.00 H new ATOM 0 HA LEU A 59 4.715 -6.740 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.964 -6.969 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.095 -5.802 8.003 1.00 0.00 H new ATOM 0 HG LEU A 59 2.115 -5.975 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.117 -3.703 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.766 -4.903 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.873 -3.822 8.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.380 -4.017 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.148 -4.147 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.226 -5.447 5.380 1.00 0.00 H new ATOM 896 N SER A 60 5.584 -9.478 6.958 1.00 0.00 N ATOM 897 CA SER A 60 6.704 -10.374 7.223 1.00 0.00 C ATOM 898 C SER A 60 7.626 -10.437 6.006 1.00 0.00 C ATOM 899 O SER A 60 7.889 -9.414 5.372 1.00 0.00 O ATOM 900 CB SER A 60 6.192 -11.773 7.586 1.00 0.00 C ATOM 901 OG SER A 60 5.732 -12.466 6.436 1.00 0.00 O ATOM 0 H SER A 60 4.692 -9.949 6.806 1.00 0.00 H new ATOM 0 HA SER A 60 7.273 -9.987 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.990 -12.343 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.383 -11.690 8.312 1.00 0.00 H new ATOM 0 HG SER A 60 4.759 -12.374 6.366 1.00 0.00 H new ATOM 907 N GLU A 61 8.118 -11.631 5.678 1.00 0.00 N ATOM 908 CA GLU A 61 9.011 -11.804 4.533 1.00 0.00 C ATOM 909 C GLU A 61 8.319 -11.454 3.212 1.00 0.00 C ATOM 910 O GLU A 61 8.891 -11.658 2.140 1.00 0.00 O ATOM 911 CB GLU A 61 9.524 -13.244 4.479 1.00 0.00 C ATOM 912 CG GLU A 61 10.144 -13.718 5.781 1.00 0.00 C ATOM 913 CD GLU A 61 10.039 -15.220 5.964 1.00 0.00 C ATOM 914 OE1 GLU A 61 10.935 -15.941 5.477 1.00 0.00 O ATOM 915 OE2 GLU A 61 9.061 -15.674 6.594 1.00 0.00 O ATOM 0 H GLU A 61 7.914 -12.491 6.187 1.00 0.00 H new ATOM 0 HA GLU A 61 9.849 -11.119 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.698 -13.905 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.263 -13.328 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.194 -13.425 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.653 -13.219 6.616 1.00 0.00 H new ATOM 922 N GLU A 62 7.092 -10.931 3.299 1.00 0.00 N ATOM 923 CA GLU A 62 6.312 -10.545 2.119 1.00 0.00 C ATOM 924 C GLU A 62 5.714 -11.762 1.425 1.00 0.00 C ATOM 925 O GLU A 62 5.614 -12.838 2.012 1.00 0.00 O ATOM 926 CB GLU A 62 7.168 -9.737 1.135 1.00 0.00 C ATOM 927 CG GLU A 62 6.938 -8.236 1.221 1.00 0.00 C ATOM 928 CD GLU A 62 5.717 -7.787 0.445 1.00 0.00 C ATOM 929 OE1 GLU A 62 4.618 -8.321 0.704 1.00 0.00 O ATOM 930 OE2 GLU A 62 5.859 -6.899 -0.423 1.00 0.00 O ATOM 0 H GLU A 62 6.614 -10.764 4.184 1.00 0.00 H new ATOM 0 HA GLU A 62 5.492 -9.915 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.221 -9.947 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.954 -10.072 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.825 -7.949 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.817 -7.715 0.841 1.00 0.00 H new ATOM 937 N HIS A 63 5.314 -11.563 0.167 1.00 0.00 N ATOM 938 CA HIS A 63 4.707 -12.614 -0.659 1.00 0.00 C ATOM 939 C HIS A 63 3.821 -13.550 0.167 1.00 0.00 C ATOM 940 O HIS A 63 3.165 -13.119 1.115 1.00 0.00 O ATOM 941 CB HIS A 63 5.784 -13.410 -1.411 1.00 0.00 C ATOM 942 CG HIS A 63 6.884 -13.940 -0.546 1.00 0.00 C ATOM 943 ND1 HIS A 63 6.907 -14.977 0.325 1.00 0.00 N flip ATOM 944 CD2 HIS A 63 8.153 -13.398 -0.526 1.00 0.00 C flip ATOM 945 CE1 HIS A 63 8.175 -15.039 0.848 1.00 0.00 C flip ATOM 946 NE2 HIS A 63 8.907 -14.077 0.319 1.00 0.00 N flip ATOM 0 H HIS A 63 5.401 -10.666 -0.311 1.00 0.00 H new ATOM 0 HA HIS A 63 4.067 -12.120 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.308 -14.246 -1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.219 -12.771 -2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.479 -12.550 -1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.518 -15.760 1.576 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.888 -13.890 0.527 1.00 0.00 H new ATOM 955 N MET A 64 3.793 -14.827 -0.207 1.00 0.00 N ATOM 956 CA MET A 64 2.973 -15.812 0.493 1.00 0.00 C ATOM 957 C MET A 64 3.755 -16.481 1.619 1.00 0.00 C ATOM 958 O MET A 64 3.621 -17.684 1.849 1.00 0.00 O ATOM 959 CB MET A 64 2.455 -16.875 -0.484 1.00 0.00 C ATOM 960 CG MET A 64 2.791 -16.596 -1.941 1.00 0.00 C ATOM 961 SD MET A 64 1.357 -16.730 -3.024 1.00 0.00 S ATOM 962 CE MET A 64 2.152 -17.027 -4.601 1.00 0.00 C ATOM 0 H MET A 64 4.328 -15.203 -0.990 1.00 0.00 H new ATOM 0 HA MET A 64 2.124 -15.285 0.929 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.871 -17.843 -0.205 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.373 -16.952 -0.380 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.214 -15.595 -2.027 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.558 -17.295 -2.273 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.394 -17.132 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.805 -16.188 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.743 -17.941 -4.544 1.00 0.00 H new ATOM 972 N GLU A 65 4.577 -15.691 2.313 1.00 0.00 N ATOM 973 CA GLU A 65 5.393 -16.191 3.419 1.00 0.00 C ATOM 974 C GLU A 65 6.505 -17.117 2.924 1.00 0.00 C ATOM 975 O GLU A 65 7.481 -17.357 3.634 1.00 0.00 O ATOM 976 CB GLU A 65 4.524 -16.921 4.449 1.00 0.00 C ATOM 977 CG GLU A 65 3.455 -16.042 5.077 1.00 0.00 C ATOM 978 CD GLU A 65 3.634 -15.880 6.574 1.00 0.00 C ATOM 979 OE1 GLU A 65 4.674 -15.327 6.990 1.00 0.00 O ATOM 980 OE2 GLU A 65 2.737 -16.308 7.330 1.00 0.00 O ATOM 0 H GLU A 65 4.695 -14.695 2.126 1.00 0.00 H new ATOM 0 HA GLU A 65 5.857 -15.327 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.045 -17.774 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.165 -17.318 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.475 -15.060 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.474 -16.472 4.877 1.00 0.00 H new ATOM 987 N ALA A 66 6.354 -17.629 1.704 1.00 0.00 N ATOM 988 CA ALA A 66 7.350 -18.521 1.118 1.00 0.00 C ATOM 989 C ALA A 66 7.061 -18.767 -0.361 1.00 0.00 C ATOM 990 O ALA A 66 7.468 -17.982 -1.220 1.00 0.00 O ATOM 991 CB ALA A 66 7.396 -19.837 1.880 1.00 0.00 C ATOM 0 H ALA A 66 5.552 -17.441 1.103 1.00 0.00 H new ATOM 0 HA ALA A 66 8.325 -18.040 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.143 -20.491 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.659 -19.646 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.419 -20.318 1.835 1.00 0.00 H new ATOM 997 N ASP A 67 6.359 -19.858 -0.654 1.00 0.00 N ATOM 998 CA ASP A 67 6.017 -20.205 -2.031 1.00 0.00 C ATOM 999 C ASP A 67 4.621 -20.815 -2.101 1.00 0.00 C ATOM 1000 O ASP A 67 4.083 -21.035 -3.188 1.00 0.00 O ATOM 1001 CB ASP A 67 7.041 -21.187 -2.604 1.00 0.00 C ATOM 1002 CG ASP A 67 7.979 -20.533 -3.600 1.00 0.00 C ATOM 1003 OD1 ASP A 67 8.452 -19.412 -3.323 1.00 0.00 O ATOM 1004 OD2 ASP A 67 8.242 -21.144 -4.657 1.00 0.00 O ATOM 0 H ASP A 67 6.015 -20.518 0.044 1.00 0.00 H new ATOM 0 HA ASP A 67 6.031 -19.291 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.624 -21.616 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.518 -22.011 -3.090 1.00 0.00 H new ATOM 1009 N GLY A 68 4.039 -21.080 -0.937 1.00 0.00 N ATOM 1010 CA GLY A 68 2.711 -21.658 -0.883 1.00 0.00 C ATOM 1011 C GLY A 68 1.802 -20.929 0.087 1.00 0.00 C ATOM 1012 O GLY A 68 1.578 -19.727 -0.051 1.00 0.00 O ATOM 0 H GLY A 68 4.466 -20.904 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.268 -21.636 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.785 -22.705 -0.590 1.00 0.00 H new ATOM 1016 N HIS A 69 1.279 -21.658 1.070 1.00 0.00 N ATOM 1017 CA HIS A 69 0.390 -21.076 2.072 1.00 0.00 C ATOM 1018 C HIS A 69 -0.821 -20.417 1.420 1.00 0.00 C ATOM 1019 O HIS A 69 -1.017 -20.514 0.208 1.00 0.00 O ATOM 1020 CB HIS A 69 1.146 -20.050 2.921 1.00 0.00 C ATOM 1021 CG HIS A 69 2.121 -20.664 3.874 1.00 0.00 C ATOM 1022 ND1 HIS A 69 1.750 -21.212 5.085 1.00 0.00 N ATOM 1023 CD2 HIS A 69 3.465 -20.816 3.791 1.00 0.00 C ATOM 1024 CE1 HIS A 69 2.822 -21.671 5.704 1.00 0.00 C ATOM 1025 NE2 HIS A 69 3.875 -21.446 4.941 1.00 0.00 N ATOM 0 H HIS A 69 1.456 -22.655 1.194 1.00 0.00 H new ATOM 0 HA HIS A 69 0.036 -21.883 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.678 -19.366 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.426 -19.455 3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.096 -20.501 2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.835 -22.150 6.672 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.837 -21.699 5.168 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.631 -19.746 2.236 1.00 0.00 N ATOM 1035 CA ALA A 70 -2.825 -19.066 1.750 1.00 0.00 C ATOM 1036 C ALA A 70 -3.474 -18.245 2.861 1.00 0.00 C ATOM 1037 O ALA A 70 -4.574 -18.557 3.315 1.00 0.00 O ATOM 1038 CB ALA A 70 -3.818 -20.071 1.185 1.00 0.00 C ATOM 0 H ALA A 70 -1.479 -19.660 3.241 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.526 -18.385 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.703 -19.546 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.358 -20.612 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.105 -20.776 1.965 1.00 0.00 H new ATOM 1044 N ALA A 71 -2.782 -17.195 3.294 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.288 -16.333 4.355 1.00 0.00 C ATOM 1046 C ALA A 71 -2.918 -14.875 4.100 1.00 0.00 C ATOM 1047 O ALA A 71 -3.748 -13.977 4.248 1.00 0.00 O ATOM 1048 CB ALA A 71 -2.755 -16.789 5.703 1.00 0.00 C ATOM 0 H ALA A 71 -1.871 -16.922 2.926 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.375 -16.407 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.141 -16.137 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.075 -17.813 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.666 -16.745 5.698 1.00 0.00 H new ATOM 1054 N VAL A 72 -1.667 -14.647 3.712 1.00 0.00 N ATOM 1055 CA VAL A 72 -1.184 -13.299 3.428 1.00 0.00 C ATOM 1056 C VAL A 72 -1.576 -12.874 2.016 1.00 0.00 C ATOM 1057 O VAL A 72 -1.405 -13.632 1.061 1.00 0.00 O ATOM 1058 CB VAL A 72 0.351 -13.205 3.590 1.00 0.00 C ATOM 1059 CG1 VAL A 72 1.026 -14.463 3.068 1.00 0.00 C ATOM 1060 CG2 VAL A 72 0.897 -11.971 2.886 1.00 0.00 C ATOM 0 H VAL A 72 -0.968 -15.379 3.587 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.650 -12.627 4.149 1.00 0.00 H new ATOM 0 HB VAL A 72 0.573 -13.114 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.105 -14.375 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.666 -15.327 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.791 -14.590 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.979 -11.927 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.660 -12.023 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.444 -11.077 3.315 1.00 0.00 H new ATOM 1070 N VAL A 73 -2.111 -11.661 1.889 1.00 0.00 N ATOM 1071 CA VAL A 73 -2.531 -11.154 0.587 1.00 0.00 C ATOM 1072 C VAL A 73 -2.157 -9.684 0.394 1.00 0.00 C ATOM 1073 O VAL A 73 -2.839 -8.786 0.887 1.00 0.00 O ATOM 1074 CB VAL A 73 -4.053 -11.309 0.390 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -4.389 -12.717 -0.080 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -4.798 -10.977 1.674 1.00 0.00 C ATOM 0 H VAL A 73 -2.262 -11.017 2.665 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.002 -11.751 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.373 -10.606 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.467 -12.808 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.888 -12.914 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.053 -13.439 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.870 -11.093 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.475 -11.652 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.584 -9.948 1.963 1.00 0.00 H new ATOM 1086 N PHE A 74 -1.080 -9.452 -0.351 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.617 -8.099 -0.647 1.00 0.00 C ATOM 1088 C PHE A 74 0.431 -8.131 -1.754 1.00 0.00 C ATOM 1089 O PHE A 74 1.082 -9.154 -1.971 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.057 -7.411 0.606 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.408 -5.946 0.688 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.686 -5.505 0.363 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.538 -5.006 1.081 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.009 -4.165 0.429 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.217 -3.665 1.144 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.056 -3.244 0.817 1.00 0.00 C ATOM 0 H PHE A 74 -0.508 -10.189 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.473 -7.517 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.438 -7.919 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.028 -7.519 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.435 -6.220 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.536 -5.329 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.007 -3.837 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.962 -2.945 1.449 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.307 -2.195 0.865 1.00 0.00 H new ATOM 1106 N GLY A 75 0.575 -7.019 -2.467 1.00 0.00 N ATOM 1107 CA GLY A 75 1.528 -6.964 -3.561 1.00 0.00 C ATOM 1108 C GLY A 75 0.970 -7.629 -4.801 1.00 0.00 C ATOM 1109 O GLY A 75 1.696 -7.924 -5.750 1.00 0.00 O ATOM 0 H GLY A 75 0.052 -6.158 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.775 -5.925 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.455 -7.456 -3.266 1.00 0.00 H new ATOM 1113 N THR A 76 -0.339 -7.860 -4.775 1.00 0.00 N ATOM 1114 CA THR A 76 -1.053 -8.495 -5.877 1.00 0.00 C ATOM 1115 C THR A 76 -2.481 -7.962 -5.960 1.00 0.00 C ATOM 1116 O THR A 76 -2.956 -7.309 -5.031 1.00 0.00 O ATOM 1117 CB THR A 76 -1.094 -10.027 -5.719 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.284 -10.425 -4.606 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.598 -10.713 -6.983 1.00 0.00 C ATOM 0 H THR A 76 -0.936 -7.611 -3.986 1.00 0.00 H new ATOM 0 HA THR A 76 -0.514 -8.256 -6.794 1.00 0.00 H new ATOM 0 HB THR A 76 -2.127 -10.326 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.316 -11.400 -4.510 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.636 -11.794 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.231 -10.429 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.429 -10.408 -7.184 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.167 -8.241 -7.064 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.543 -7.783 -7.223 1.00 0.00 C ATOM 1129 C VAL A 77 -5.436 -8.456 -6.180 1.00 0.00 C ATOM 1130 O VAL A 77 -5.812 -9.620 -6.323 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.085 -8.075 -8.641 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -4.746 -9.495 -9.068 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.587 -7.832 -8.707 1.00 0.00 C ATOM 0 H VAL A 77 -2.799 -8.774 -7.852 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.553 -6.703 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.601 -7.389 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.138 -9.677 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.664 -9.625 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.193 -10.202 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.946 -8.044 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.093 -8.486 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.799 -6.792 -8.458 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.744 -7.722 -5.114 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.562 -8.255 -4.029 1.00 0.00 C ATOM 1145 C VAL A 78 -7.725 -7.338 -3.679 1.00 0.00 C ATOM 1146 O VAL A 78 -7.834 -6.222 -4.186 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.721 -8.447 -2.754 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.778 -9.625 -2.892 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.949 -7.174 -2.437 1.00 0.00 C ATOM 0 H VAL A 78 -5.440 -6.758 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.950 -9.209 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.399 -8.660 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.197 -9.736 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.354 -10.533 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.103 -9.455 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.358 -7.322 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.286 -6.934 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.649 -6.353 -2.282 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.571 -7.816 -2.772 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.714 -7.049 -2.300 1.00 0.00 C ATOM 1161 C ASP A 79 -9.308 -6.261 -1.060 1.00 0.00 C ATOM 1162 O ASP A 79 -9.006 -6.843 -0.018 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.888 -7.977 -1.973 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.972 -7.934 -3.031 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.666 -8.220 -4.207 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -13.129 -7.613 -2.683 1.00 0.00 O ATOM 0 H ASP A 79 -8.483 -8.739 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.032 -6.362 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.522 -8.999 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.313 -7.695 -1.010 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.277 -4.940 -1.183 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.878 -4.086 -0.075 1.00 0.00 C ATOM 1173 C ILE A 80 -10.084 -3.492 0.648 1.00 0.00 C ATOM 1174 O ILE A 80 -11.209 -3.537 0.148 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.966 -2.944 -0.560 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.764 -1.931 -1.384 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.811 -3.503 -1.376 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.208 -0.525 -1.313 1.00 0.00 C ATOM 0 H ILE A 80 -9.523 -4.439 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.330 -4.717 0.625 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.560 -2.431 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.782 -2.254 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.797 -1.923 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.174 -2.685 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.228 -4.187 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.202 -4.038 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.822 0.140 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.216 -0.183 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.185 -0.519 -1.690 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.831 -2.929 1.824 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.878 -2.309 2.626 1.00 0.00 C ATOM 1192 C ILE A 81 -10.370 -1.019 3.261 1.00 0.00 C ATOM 1193 O ILE A 81 -9.233 -0.958 3.727 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.384 -3.257 3.732 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.258 -4.180 4.203 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.567 -4.070 3.231 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.011 -4.115 5.696 1.00 0.00 C ATOM 0 H ILE A 81 -8.903 -2.890 2.245 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.709 -2.086 1.956 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.712 -2.656 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.500 -5.206 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.339 -3.917 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.913 -4.735 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.375 -3.397 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.262 -4.662 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.200 -4.794 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.738 -3.097 5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.917 -4.407 6.228 1.00 0.00 H new ATOM 1209 N SER A 82 -11.208 0.010 3.268 1.00 0.00 N ATOM 1210 CA SER A 82 -10.824 1.298 3.839 1.00 0.00 C ATOM 1211 C SER A 82 -11.180 1.378 5.320 1.00 0.00 C ATOM 1212 O SER A 82 -11.925 0.546 5.839 1.00 0.00 O ATOM 1213 CB SER A 82 -11.495 2.442 3.076 1.00 0.00 C ATOM 1214 OG SER A 82 -12.550 3.010 3.832 1.00 0.00 O ATOM 0 H SER A 82 -12.154 -0.020 2.887 1.00 0.00 H new ATOM 0 HA SER A 82 -9.742 1.393 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.757 3.209 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.882 2.072 2.127 1.00 0.00 H new ATOM 0 HG SER A 82 -12.961 3.740 3.323 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.620 2.382 5.992 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.848 2.592 7.423 1.00 0.00 C ATOM 1222 C ARG A 83 -12.313 2.387 7.825 1.00 0.00 C ATOM 1223 O ARG A 83 -12.597 1.921 8.928 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.411 4.003 7.819 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.336 5.097 7.302 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.602 6.414 7.125 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.002 7.403 8.121 1.00 0.00 N ATOM 1228 CZ ARG A 83 -10.316 7.649 9.231 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -9.199 6.981 9.485 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -10.743 8.568 10.088 1.00 0.00 N ATOM 0 H ARG A 83 -9.999 3.069 5.565 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.254 1.846 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.359 4.066 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.404 4.182 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.767 4.789 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.164 5.232 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.528 6.242 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.797 6.806 6.127 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.856 7.935 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.865 6.277 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.674 7.172 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.600 9.087 9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.215 8.755 10.940 1.00 0.00 H new ATOM 1244 N SER A 84 -13.238 2.751 6.940 1.00 0.00 N ATOM 1245 CA SER A 84 -14.665 2.618 7.235 1.00 0.00 C ATOM 1246 C SER A 84 -15.271 1.396 6.554 1.00 0.00 C ATOM 1247 O SER A 84 -16.370 0.966 6.903 1.00 0.00 O ATOM 1248 CB SER A 84 -15.412 3.877 6.799 1.00 0.00 C ATOM 1249 OG SER A 84 -14.872 4.400 5.597 1.00 0.00 O ATOM 0 H SER A 84 -13.029 3.137 6.019 1.00 0.00 H new ATOM 0 HA SER A 84 -14.767 2.487 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.468 3.646 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.353 4.629 7.585 1.00 0.00 H new ATOM 0 HG SER A 84 -15.368 5.204 5.338 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.559 0.846 5.580 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.054 -0.315 4.867 1.00 0.00 C ATOM 1257 C GLY A 85 -15.483 0.024 3.453 1.00 0.00 C ATOM 1258 O GLY A 85 -16.626 0.419 3.220 1.00 0.00 O ATOM 0 H GLY A 85 -13.647 1.183 5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.277 -1.079 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.898 -0.740 5.409 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.559 -0.126 2.513 1.00 0.00 N ATOM 1263 CA GLU A 86 -14.837 0.171 1.113 1.00 0.00 C ATOM 1264 C GLU A 86 -14.990 -1.113 0.305 1.00 0.00 C ATOM 1265 O GLU A 86 -15.699 -1.137 -0.700 1.00 0.00 O ATOM 1266 CB GLU A 86 -13.717 1.037 0.530 1.00 0.00 C ATOM 1267 CG GLU A 86 -13.896 1.362 -0.943 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.002 2.369 -1.189 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.772 3.574 -0.953 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.100 1.953 -1.617 1.00 0.00 O ATOM 0 H GLU A 86 -13.610 -0.452 2.694 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.777 0.720 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.660 1.968 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.765 0.523 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.959 1.752 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.117 0.445 -1.489 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.321 -2.177 0.764 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.366 -3.488 0.108 1.00 0.00 C ATOM 1279 C LYS A 87 -14.455 -3.362 -1.412 1.00 0.00 C ATOM 1280 O LYS A 87 -15.546 -3.331 -1.984 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.538 -4.320 0.641 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.864 -3.574 0.681 1.00 0.00 C ATOM 1283 CD LYS A 87 -17.188 -3.083 2.083 1.00 0.00 C ATOM 1284 CE LYS A 87 -18.665 -2.753 2.230 1.00 0.00 C ATOM 1285 NZ LYS A 87 -18.949 -1.328 1.916 1.00 0.00 N ATOM 0 H LYS A 87 -13.735 -2.153 1.598 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.432 -3.999 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.652 -5.208 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.297 -4.664 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.826 -2.726 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.662 -4.229 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.910 -3.846 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.592 -2.198 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.248 -3.394 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.986 -2.971 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.875 -1.064 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.210 -0.727 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.961 -1.195 0.885 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.295 -3.293 -2.064 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.242 -3.170 -3.519 1.00 0.00 C ATOM 1301 C ILE A 88 -11.990 -3.832 -4.090 1.00 0.00 C ATOM 1302 O ILE A 88 -10.881 -3.593 -3.612 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.264 -1.691 -3.958 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.334 -0.860 -3.071 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.680 -1.137 -3.912 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.102 -0.354 -3.787 1.00 0.00 C ATOM 0 H ILE A 88 -12.383 -3.320 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.126 -3.677 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.909 -1.632 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.889 -0.009 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.025 -1.464 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.673 -0.093 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.318 -1.713 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.066 -1.208 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.491 0.226 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.524 -1.200 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.401 0.277 -4.624 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.147 -4.670 -5.134 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.018 -5.354 -5.775 1.00 0.00 C ATOM 1320 C PRO A 89 -10.121 -4.381 -6.531 1.00 0.00 C ATOM 1321 O PRO A 89 -10.606 -3.544 -7.291 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.690 -6.326 -6.746 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.017 -5.718 -7.037 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.432 -5.006 -5.779 1.00 0.00 C ATOM 0 HA PRO A 89 -10.369 -5.844 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.102 -6.446 -7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.797 -7.316 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.953 -5.024 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.745 -6.482 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.017 -4.113 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.047 -5.642 -5.142 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.813 -4.496 -6.322 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.856 -3.625 -6.989 1.00 0.00 C ATOM 1334 C VAL A 90 -6.538 -4.350 -7.237 1.00 0.00 C ATOM 1335 O VAL A 90 -6.366 -5.499 -6.836 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.572 -2.351 -6.165 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.812 -1.478 -6.068 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.063 -2.713 -4.780 1.00 0.00 C ATOM 0 H VAL A 90 -8.394 -5.184 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.305 -3.340 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.798 -1.782 -6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.585 -0.587 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.129 -1.184 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.613 -2.036 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.868 -1.802 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.813 -3.309 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.141 -3.288 -4.870 1.00 0.00 H new ATOM 1348 N SER A 91 -5.610 -3.659 -7.890 1.00 0.00 N ATOM 1349 CA SER A 91 -4.299 -4.221 -8.187 1.00 0.00 C ATOM 1350 C SER A 91 -3.237 -3.588 -7.297 1.00 0.00 C ATOM 1351 O SER A 91 -3.123 -2.365 -7.229 1.00 0.00 O ATOM 1352 CB SER A 91 -3.946 -4.002 -9.661 1.00 0.00 C ATOM 1353 OG SER A 91 -4.324 -5.119 -10.447 1.00 0.00 O ATOM 0 H SER A 91 -5.743 -2.705 -8.225 1.00 0.00 H new ATOM 0 HA SER A 91 -4.331 -5.292 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.448 -3.107 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.874 -3.830 -9.760 1.00 0.00 H new ATOM 0 HG SER A 91 -4.090 -4.954 -11.384 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.464 -4.422 -6.611 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.421 -3.925 -5.723 1.00 0.00 C ATOM 1361 C VAL A 92 -0.054 -4.491 -6.094 1.00 0.00 C ATOM 1362 O VAL A 92 0.071 -5.663 -6.438 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.728 -4.276 -4.253 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.617 -3.788 -3.335 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.069 -3.694 -3.834 1.00 0.00 C ATOM 0 H VAL A 92 -2.539 -5.438 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.400 -2.841 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.783 -5.361 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.857 -4.047 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.323 -4.261 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.521 -2.706 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.269 -3.952 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.044 -2.610 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.857 -4.103 -4.467 1.00 0.00 H new ATOM 1375 N TRP A 93 0.969 -3.645 -6.010 1.00 0.00 N ATOM 1376 CA TRP A 93 2.334 -4.060 -6.319 1.00 0.00 C ATOM 1377 C TRP A 93 3.331 -3.340 -5.418 1.00 0.00 C ATOM 1378 O TRP A 93 3.557 -2.139 -5.558 1.00 0.00 O ATOM 1379 CB TRP A 93 2.683 -3.821 -7.795 1.00 0.00 C ATOM 1380 CG TRP A 93 1.820 -2.809 -8.493 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.500 -2.933 -8.816 1.00 0.00 C ATOM 1382 CD2 TRP A 93 2.230 -1.526 -8.979 1.00 0.00 C ATOM 1383 NE1 TRP A 93 0.062 -1.803 -9.463 1.00 0.00 N ATOM 1384 CE2 TRP A 93 1.107 -0.926 -9.577 1.00 0.00 C ATOM 1385 CE3 TRP A 93 3.440 -0.821 -8.966 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 1.156 0.338 -10.155 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 3.488 0.434 -9.539 1.00 0.00 C ATOM 1388 CH2 TRP A 93 2.352 1.004 -10.129 1.00 0.00 C ATOM 0 H TRP A 93 0.879 -2.668 -5.731 1.00 0.00 H new ATOM 0 HA TRP A 93 2.397 -5.132 -6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.722 -3.498 -7.860 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.610 -4.769 -8.329 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.112 -3.795 -8.595 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -0.886 -1.644 -9.803 1.00 0.00 H new ATOM 0 HE3 TRP A 93 4.321 -1.252 -8.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.281 0.779 -10.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 4.416 0.986 -9.532 1.00 0.00 H new ATOM 0 HH2 TRP A 93 2.421 1.987 -10.571 1.00 0.00 H new ATOM 1399 N MET A 94 3.921 -4.089 -4.489 1.00 0.00 N ATOM 1400 CA MET A 94 4.891 -3.532 -3.554 1.00 0.00 C ATOM 1401 C MET A 94 6.317 -3.814 -4.018 1.00 0.00 C ATOM 1402 O MET A 94 6.644 -4.941 -4.388 1.00 0.00 O ATOM 1403 CB MET A 94 4.669 -4.122 -2.161 1.00 0.00 C ATOM 1404 CG MET A 94 5.021 -3.165 -1.036 1.00 0.00 C ATOM 1405 SD MET A 94 4.560 -3.805 0.586 1.00 0.00 S ATOM 1406 CE MET A 94 5.038 -2.433 1.634 1.00 0.00 C ATOM 0 H MET A 94 3.742 -5.086 -4.365 1.00 0.00 H new ATOM 0 HA MET A 94 4.750 -2.452 -3.515 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.625 -4.418 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.268 -5.027 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.093 -2.967 -1.054 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.518 -2.212 -1.203 1.00 0.00 H new ATOM 0 HE1 MET A 94 4.297 -2.302 2.423 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.011 -2.638 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 94 5.097 -1.523 1.037 1.00 0.00 H new ATOM 1416 N LYS A 95 7.161 -2.782 -4.005 1.00 0.00 N ATOM 1417 CA LYS A 95 8.547 -2.940 -4.436 1.00 0.00 C ATOM 1418 C LYS A 95 9.435 -1.814 -3.915 1.00 0.00 C ATOM 1419 O LYS A 95 8.982 -0.690 -3.723 1.00 0.00 O ATOM 1420 CB LYS A 95 8.614 -2.978 -5.963 1.00 0.00 C ATOM 1421 CG LYS A 95 7.732 -1.939 -6.637 1.00 0.00 C ATOM 1422 CD LYS A 95 7.464 -2.294 -8.090 1.00 0.00 C ATOM 1423 CE LYS A 95 6.144 -3.033 -8.247 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.172 -4.367 -7.588 1.00 0.00 N ATOM 0 H LYS A 95 6.912 -1.840 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 95 8.917 -3.878 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.646 -2.825 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.320 -3.970 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.787 -1.860 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.212 -0.962 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.447 -1.385 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.277 -2.913 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.340 -2.434 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.921 -3.156 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.389 -4.949 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.077 -4.837 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.070 -4.249 -6.560 1.00 0.00 H new ATOM 1438 N ARG A 96 10.713 -2.123 -3.707 1.00 0.00 N ATOM 1439 CA ARG A 96 11.674 -1.133 -3.233 1.00 0.00 C ATOM 1440 C ARG A 96 12.151 -0.276 -4.403 1.00 0.00 C ATOM 1441 O ARG A 96 12.985 -0.705 -5.201 1.00 0.00 O ATOM 1442 CB ARG A 96 12.864 -1.820 -2.556 1.00 0.00 C ATOM 1443 CG ARG A 96 12.505 -3.133 -1.878 1.00 0.00 C ATOM 1444 CD ARG A 96 13.157 -3.252 -0.510 1.00 0.00 C ATOM 1445 NE ARG A 96 14.088 -4.376 -0.445 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.905 -5.443 0.329 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.831 -5.532 1.102 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.799 -6.423 0.330 1.00 0.00 N ATOM 0 H ARG A 96 11.106 -3.052 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 96 11.187 -0.493 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.638 -2.005 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.290 -1.143 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.422 -3.205 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.821 -3.966 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.687 -2.328 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.386 -3.375 0.250 1.00 0.00 H new ATOM 0 HE ARG A 96 14.926 -4.341 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.141 -4.781 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.695 -6.352 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.627 -6.359 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.659 -7.241 0.923 1.00 0.00 H new ATOM 1462 N MET A 97 11.595 0.924 -4.508 1.00 0.00 N ATOM 1463 CA MET A 97 11.932 1.843 -5.594 1.00 0.00 C ATOM 1464 C MET A 97 13.084 2.771 -5.227 1.00 0.00 C ATOM 1465 O MET A 97 13.519 3.575 -6.051 1.00 0.00 O ATOM 1466 CB MET A 97 10.708 2.680 -5.951 1.00 0.00 C ATOM 1467 CG MET A 97 10.329 3.669 -4.864 1.00 0.00 C ATOM 1468 SD MET A 97 9.787 5.257 -5.524 1.00 0.00 S ATOM 1469 CE MET A 97 8.474 4.730 -6.626 1.00 0.00 C ATOM 0 H MET A 97 10.904 1.288 -3.851 1.00 0.00 H new ATOM 0 HA MET A 97 12.247 1.241 -6.446 1.00 0.00 H new ATOM 0 HB2 MET A 97 10.903 3.222 -6.876 1.00 0.00 H new ATOM 0 HB3 MET A 97 9.864 2.017 -6.142 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.533 3.243 -4.253 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.185 3.826 -4.208 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.786 4.876 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.259 3.675 -6.457 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.578 5.319 -6.431 1.00 0.00 H new ATOM 1479 N ARG A 98 13.583 2.646 -4.001 1.00 0.00 N ATOM 1480 CA ARG A 98 14.698 3.466 -3.526 1.00 0.00 C ATOM 1481 C ARG A 98 14.591 4.913 -4.001 1.00 0.00 C ATOM 1482 O ARG A 98 15.185 5.291 -5.012 1.00 0.00 O ATOM 1483 CB ARG A 98 16.025 2.865 -3.990 1.00 0.00 C ATOM 1484 CG ARG A 98 16.687 1.984 -2.944 1.00 0.00 C ATOM 1485 CD ARG A 98 17.873 2.683 -2.302 1.00 0.00 C ATOM 1486 NE ARG A 98 18.942 2.942 -3.263 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.103 3.506 -2.941 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.349 3.857 -1.685 1.00 0.00 N ATOM 1489 NH2 ARG A 98 21.020 3.715 -3.875 1.00 0.00 N ATOM 0 H ARG A 98 13.231 1.981 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 98 14.656 3.473 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.854 2.278 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.707 3.672 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.960 1.719 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.017 1.054 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.544 3.625 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.258 2.069 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 98 18.790 2.675 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.647 3.695 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.240 4.289 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.835 3.443 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.910 4.147 -3.628 1.00 0.00 H new ATOM 1503 N GLN A 99 13.840 5.723 -3.261 1.00 0.00 N ATOM 1504 CA GLN A 99 13.670 7.130 -3.607 1.00 0.00 C ATOM 1505 C GLN A 99 14.036 8.024 -2.426 1.00 0.00 C ATOM 1506 O GLN A 99 13.612 9.177 -2.346 1.00 0.00 O ATOM 1507 CB GLN A 99 12.230 7.405 -4.055 1.00 0.00 C ATOM 1508 CG GLN A 99 11.209 7.333 -2.931 1.00 0.00 C ATOM 1509 CD GLN A 99 9.889 7.978 -3.306 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.789 7.328 -2.945 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 9.857 9.048 -3.915 1.00 0.00 N flip ATOM 0 H GLN A 99 13.341 5.431 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 99 14.341 7.359 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.185 8.394 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.957 6.686 -4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.038 6.290 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.612 7.825 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.727 9.514 -4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.961 9.468 -4.161 1.00 0.00 H new ATOM 1520 N GLU A 100 14.831 7.479 -1.509 1.00 0.00 N ATOM 1521 CA GLU A 100 15.264 8.215 -0.329 1.00 0.00 C ATOM 1522 C GLU A 100 16.611 7.694 0.168 1.00 0.00 C ATOM 1523 O GLU A 100 17.316 6.988 -0.553 1.00 0.00 O ATOM 1524 CB GLU A 100 14.213 8.103 0.778 1.00 0.00 C ATOM 1525 CG GLU A 100 13.653 9.444 1.225 1.00 0.00 C ATOM 1526 CD GLU A 100 13.490 9.535 2.728 1.00 0.00 C ATOM 1527 OE1 GLU A 100 14.513 9.467 3.441 1.00 0.00 O ATOM 1528 OE2 GLU A 100 12.339 9.674 3.193 1.00 0.00 O ATOM 0 H GLU A 100 15.189 6.525 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 100 15.380 9.264 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.394 7.476 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.655 7.599 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.315 10.241 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.687 9.607 0.748 1.00 0.00 H new ATOM 1535 N ARG A 101 16.962 8.042 1.403 1.00 0.00 N ATOM 1536 CA ARG A 101 18.224 7.605 1.989 1.00 0.00 C ATOM 1537 C ARG A 101 18.163 6.129 2.374 1.00 0.00 C ATOM 1538 O ARG A 101 19.185 5.517 2.687 1.00 0.00 O ATOM 1539 CB ARG A 101 18.563 8.450 3.220 1.00 0.00 C ATOM 1540 CG ARG A 101 18.954 9.881 2.887 1.00 0.00 C ATOM 1541 CD ARG A 101 19.207 10.696 4.144 1.00 0.00 C ATOM 1542 NE ARG A 101 20.289 11.661 3.965 1.00 0.00 N ATOM 1543 CZ ARG A 101 20.812 12.378 4.957 1.00 0.00 C ATOM 1544 NH1 ARG A 101 20.356 12.235 6.195 1.00 0.00 N ATOM 1545 NH2 ARG A 101 21.793 13.236 4.709 1.00 0.00 N ATOM 0 H ARG A 101 16.391 8.624 2.016 1.00 0.00 H new ATOM 0 HA ARG A 101 19.006 7.737 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.703 8.464 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 101 19.381 7.975 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.850 9.879 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.162 10.349 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.295 11.223 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.453 10.025 4.967 1.00 0.00 H new ATOM 0 HE ARG A 101 20.665 11.793 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.603 11.574 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.758 12.786 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.146 13.346 3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.194 13.786 5.469 1.00 0.00 H new ATOM 1559 N ARG A 102 16.960 5.566 2.348 1.00 0.00 N ATOM 1560 CA ARG A 102 16.761 4.162 2.694 1.00 0.00 C ATOM 1561 C ARG A 102 15.800 3.494 1.713 1.00 0.00 C ATOM 1562 O ARG A 102 14.972 4.161 1.094 1.00 0.00 O ATOM 1563 CB ARG A 102 16.241 4.050 4.137 1.00 0.00 C ATOM 1564 CG ARG A 102 14.974 3.216 4.295 1.00 0.00 C ATOM 1565 CD ARG A 102 13.732 4.092 4.385 1.00 0.00 C ATOM 1566 NE ARG A 102 13.857 5.114 5.419 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.194 6.266 5.400 1.00 0.00 C ATOM 1568 NH1 ARG A 102 12.367 6.543 4.400 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.355 7.143 6.383 1.00 0.00 N ATOM 0 H ARG A 102 16.106 6.061 2.091 1.00 0.00 H new ATOM 0 HA ARG A 102 17.717 3.643 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.025 3.617 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.049 5.053 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.879 2.535 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.052 2.602 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.556 4.571 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.863 3.468 4.595 1.00 0.00 H new ATOM 0 HE ARG A 102 14.488 4.934 6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.239 5.871 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.860 7.428 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.988 6.934 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.845 8.026 6.367 1.00 0.00 H new ATOM 1583 N LEU A 103 15.914 2.172 1.583 1.00 0.00 N ATOM 1584 CA LEU A 103 15.047 1.417 0.682 1.00 0.00 C ATOM 1585 C LEU A 103 13.584 1.682 1.007 1.00 0.00 C ATOM 1586 O LEU A 103 13.093 1.286 2.066 1.00 0.00 O ATOM 1587 CB LEU A 103 15.336 -0.080 0.788 1.00 0.00 C ATOM 1588 CG LEU A 103 16.809 -0.448 0.955 1.00 0.00 C ATOM 1589 CD1 LEU A 103 16.986 -1.406 2.123 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.347 -1.057 -0.328 1.00 0.00 C ATOM 0 H LEU A 103 16.595 1.605 2.088 1.00 0.00 H new ATOM 0 HA LEU A 103 15.249 1.744 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.779 -0.482 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.954 -0.572 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 103 17.376 0.458 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 103 18.041 -1.659 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.632 -0.932 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.412 -2.314 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.398 -1.315 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.780 -1.956 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.250 -0.338 -1.141 1.00 0.00 H new ATOM 1602 N CYS A 104 12.893 2.367 0.105 1.00 0.00 N ATOM 1603 CA CYS A 104 11.491 2.694 0.318 1.00 0.00 C ATOM 1604 C CYS A 104 10.569 1.795 -0.496 1.00 0.00 C ATOM 1605 O CYS A 104 10.674 1.714 -1.720 1.00 0.00 O ATOM 1606 CB CYS A 104 11.230 4.160 -0.028 1.00 0.00 C ATOM 1607 SG CYS A 104 12.135 5.332 1.008 1.00 0.00 S ATOM 0 H CYS A 104 13.279 2.705 -0.777 1.00 0.00 H new ATOM 0 HA CYS A 104 11.273 2.526 1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.498 4.330 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.162 4.360 0.063 1.00 0.00 H new ATOM 0 HG CYS A 104 13.340 4.889 1.214 1.00 0.00 H new ATOM 1613 N CYS A 105 9.657 1.133 0.205 1.00 0.00 N ATOM 1614 CA CYS A 105 8.689 0.242 -0.420 1.00 0.00 C ATOM 1615 C CYS A 105 7.476 1.034 -0.906 1.00 0.00 C ATOM 1616 O CYS A 105 6.909 1.831 -0.161 1.00 0.00 O ATOM 1617 CB CYS A 105 8.253 -0.823 0.589 1.00 0.00 C ATOM 1618 SG CYS A 105 8.154 -2.492 -0.094 1.00 0.00 S ATOM 0 H CYS A 105 9.568 1.198 1.219 1.00 0.00 H new ATOM 0 HA CYS A 105 9.151 -0.243 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.954 -0.825 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.278 -0.549 0.992 1.00 0.00 H new ATOM 0 HG CYS A 105 7.989 -3.347 0.871 1.00 0.00 H new ATOM 1624 N VAL A 106 7.080 0.814 -2.158 1.00 0.00 N ATOM 1625 CA VAL A 106 5.934 1.520 -2.730 1.00 0.00 C ATOM 1626 C VAL A 106 4.750 0.589 -2.943 1.00 0.00 C ATOM 1627 O VAL A 106 4.914 -0.553 -3.369 1.00 0.00 O ATOM 1628 CB VAL A 106 6.268 2.171 -4.090 1.00 0.00 C ATOM 1629 CG1 VAL A 106 6.248 3.687 -3.981 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.606 1.689 -4.620 1.00 0.00 C ATOM 0 H VAL A 106 7.532 0.156 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 106 5.679 2.294 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 106 5.500 1.867 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.486 4.125 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.257 4.016 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.986 4.009 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.811 2.166 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.393 1.947 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.577 0.607 -4.752 1.00 0.00 H new ATOM 1640 N VAL A 107 3.553 1.096 -2.671 1.00 0.00 N ATOM 1641 CA VAL A 107 2.329 0.330 -2.855 1.00 0.00 C ATOM 1642 C VAL A 107 1.333 1.148 -3.674 1.00 0.00 C ATOM 1643 O VAL A 107 0.878 2.208 -3.241 1.00 0.00 O ATOM 1644 CB VAL A 107 1.709 -0.086 -1.499 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.189 0.035 -1.508 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.123 -1.503 -1.145 1.00 0.00 C ATOM 0 H VAL A 107 3.405 2.042 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 107 2.574 -0.586 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 107 2.088 0.599 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.206 -0.266 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.093 1.069 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.223 -0.611 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.680 -1.783 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.777 -2.187 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.209 -1.557 -1.072 1.00 0.00 H new ATOM 1656 N VAL A 108 1.020 0.665 -4.869 1.00 0.00 N ATOM 1657 CA VAL A 108 0.099 1.365 -5.755 1.00 0.00 C ATOM 1658 C VAL A 108 -1.176 0.563 -5.986 1.00 0.00 C ATOM 1659 O VAL A 108 -1.144 -0.522 -6.566 1.00 0.00 O ATOM 1660 CB VAL A 108 0.761 1.673 -7.110 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.073 2.850 -7.784 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.249 1.946 -6.927 1.00 0.00 C ATOM 0 H VAL A 108 1.390 -0.207 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.163 2.302 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 108 0.652 0.801 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.554 3.054 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.978 2.611 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.149 3.730 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.701 2.162 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.383 2.801 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.729 1.070 -6.490 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.296 1.105 -5.517 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.586 0.446 -5.660 1.00 0.00 C ATOM 1674 C LEU A 109 -4.337 0.957 -6.883 1.00 0.00 C ATOM 1675 O LEU A 109 -4.727 2.122 -6.942 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.412 0.680 -4.403 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.577 0.950 -3.153 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.367 1.757 -2.139 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.096 -0.360 -2.557 1.00 0.00 C ATOM 0 H LEU A 109 -2.334 2.002 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.417 -0.622 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.079 1.525 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.041 -0.193 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.705 1.541 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.751 1.937 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.657 2.711 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.261 1.204 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.501 -0.158 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.955 -0.975 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.485 -0.890 -3.288 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.539 0.080 -7.854 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.245 0.443 -9.073 1.00 0.00 C ATOM 1693 C GLU A 110 -6.654 -0.144 -9.073 1.00 0.00 C ATOM 1694 O GLU A 110 -6.824 -1.363 -9.093 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.476 -0.042 -10.302 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.772 0.759 -11.560 1.00 0.00 C ATOM 1697 CD GLU A 110 -5.455 -0.071 -12.631 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -4.783 -0.942 -13.226 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -6.659 0.151 -12.877 1.00 0.00 O ATOM 0 H GLU A 110 -4.224 -0.889 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.320 1.530 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.407 0.006 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.719 -1.089 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.405 1.609 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.841 1.163 -11.957 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.684 0.716 -9.054 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.078 0.266 -9.057 1.00 0.00 C ATOM 1708 C PRO A 111 -9.405 -0.527 -10.318 1.00 0.00 C ATOM 1709 O PRO A 111 -9.132 -0.075 -11.431 1.00 0.00 O ATOM 1710 CB PRO A 111 -9.886 1.570 -9.014 1.00 0.00 C ATOM 1711 CG PRO A 111 -8.943 2.626 -9.479 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.578 2.184 -9.039 1.00 0.00 C ATOM 0 HA PRO A 111 -9.299 -0.401 -8.223 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.763 1.512 -9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.245 1.778 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.986 2.738 -10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.198 3.594 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -6.801 2.539 -9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.332 2.561 -8.046 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.987 -1.709 -10.144 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.343 -2.556 -11.280 1.00 0.00 C ATOM 1722 C VAL A 112 -11.558 -2.004 -12.016 1.00 0.00 C ATOM 1723 O VAL A 112 -12.329 -1.221 -11.463 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.634 -4.004 -10.838 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.436 -4.590 -10.103 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.882 -4.063 -9.970 1.00 0.00 C ATOM 0 H VAL A 112 -10.222 -2.102 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.485 -2.559 -11.952 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.815 -4.604 -11.730 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.660 -5.612 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.568 -4.590 -10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.221 -3.988 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.068 -5.094 -9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.737 -3.447 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.736 -3.690 -10.535 1.00 0.00 H new ATOM 1736 N GLU A 113 -11.722 -2.417 -13.270 1.00 0.00 N ATOM 1737 CA GLU A 113 -12.843 -1.966 -14.085 1.00 0.00 C ATOM 1738 C GLU A 113 -13.875 -3.076 -14.252 1.00 0.00 C ATOM 1739 O GLU A 113 -13.528 -4.255 -14.323 1.00 0.00 O ATOM 1740 CB GLU A 113 -12.352 -1.502 -15.456 1.00 0.00 C ATOM 1741 CG GLU A 113 -11.748 -0.107 -15.444 1.00 0.00 C ATOM 1742 CD GLU A 113 -12.361 0.801 -16.492 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -13.606 0.883 -16.554 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -11.595 1.434 -17.250 1.00 0.00 O ATOM 0 H GLU A 113 -11.091 -3.064 -13.743 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.316 -1.127 -13.574 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.608 -2.208 -15.825 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.186 -1.522 -16.158 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.886 0.337 -14.458 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.674 -0.178 -15.614 1.00 0.00 H new ATOM 1751 N ARG A 114 -15.145 -2.690 -14.313 1.00 0.00 N ATOM 1752 CA ARG A 114 -16.232 -3.650 -14.469 1.00 0.00 C ATOM 1753 C ARG A 114 -16.975 -3.422 -15.781 1.00 0.00 C ATOM 1754 O ARG A 114 -17.035 -2.258 -16.231 1.00 0.00 O ATOM 1755 CB ARG A 114 -17.205 -3.550 -13.293 1.00 0.00 C ATOM 1756 CG ARG A 114 -16.521 -3.579 -11.936 1.00 0.00 C ATOM 1757 CD ARG A 114 -17.208 -2.651 -10.946 1.00 0.00 C ATOM 1758 NE ARG A 114 -16.322 -2.268 -9.850 1.00 0.00 N ATOM 1759 CZ ARG A 114 -16.736 -1.668 -8.738 1.00 0.00 C ATOM 1760 NH1 ARG A 114 -18.021 -1.377 -8.577 1.00 0.00 N ATOM 1761 NH2 ARG A 114 -15.866 -1.356 -7.788 1.00 0.00 N ATOM 1762 OXT ARG A 114 -17.490 -4.409 -16.349 1.00 0.00 O ATOM 0 H ARG A 114 -15.447 -1.717 -14.257 1.00 0.00 H new ATOM 0 HA ARG A 114 -15.799 -4.650 -14.487 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -17.777 -2.627 -13.383 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -17.917 -4.373 -13.350 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -16.526 -4.597 -11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -15.477 -3.286 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -17.550 -1.756 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -18.093 -3.143 -10.542 1.00 0.00 H new ATOM 0 HE ARG A 114 -15.327 -2.473 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -18.693 -1.614 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -18.337 -0.917 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.877 -1.576 -7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.185 -0.896 -6.935 1.00 0.00 H new TER 1776 ARG A 114