USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 85:sc= -1.17 USER MOD Set 1.2: A 97 MET CE :methyl 149:sc= -2.69 (180deg=-3.9!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -147:sc= -0.347 (180deg=-1.66!) USER MOD Set 2.2: A 38 HIS : no HD1:sc= -6.06! K(o=-6.4!,f=-5.7) USER MOD Single : A 3 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-2.8!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.435 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.33) USER MOD Single : A 23 SER OG : rot 36:sc= 1.12 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 31 SER OG : rot -17:sc= -0.71 USER MOD Single : A 32 THR OG1 : rot 119:sc= 0.576 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 43 SER OG : rot -130:sc= -2.12 USER MOD Single : A 44 THR OG1 : rot -33:sc= 0.11 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.02 X(o=-1,f=-0.73) USER MOD Single : A 58 MET CE :methyl -116:sc= -6.46! (180deg=-9.98!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= -0.132 (180deg=-0.198) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.352 K(o=-0.35,f=-3.1!) USER MOD Single : A 78 ASN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -5.34! K(o=-5.3!,f=-3.9) USER MOD Single : A 88 MET CE :methyl -152:sc= 0 (180deg=-0.49) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 93 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.212 K(o=-0.21,f=-0.73) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 172:sc= -3.34! (180deg=-3.63!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -5.17! K(o=-5.2!,f=-2.1) USER MOD Single : A 106 GLN : amide:sc= -5.26 K(o=-5.3,f=-18!) USER MOD Single : A 109 SER OG : rot 80:sc= 0.935 USER MOD Single : A 111 TYR OH : rot 103:sc= -2.87! USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -1.77 (180deg=-4.19!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.990 -13.608 -6.725 1.00 0.00 N ATOM 29 CA HIS A 3 -2.509 -12.457 -7.483 1.00 0.00 C ATOM 30 C HIS A 3 -3.642 -11.477 -7.772 1.00 0.00 C ATOM 31 O HIS A 3 -3.565 -10.690 -8.716 1.00 0.00 O ATOM 32 CB HIS A 3 -1.873 -12.920 -8.795 1.00 0.00 C ATOM 33 CG HIS A 3 -0.508 -13.506 -8.621 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.041 -14.565 -9.371 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.495 -13.177 -7.772 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.190 -14.862 -8.990 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.538 -14.034 -8.023 1.00 0.00 N ATOM 0 HA HIS A 3 -1.759 -11.944 -6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.521 -13.661 -9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.812 -12.073 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.478 -12.388 -7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.806 -15.649 -9.400 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.436 -14.031 -7.540 1.00 0.00 H new ATOM 46 N SER A 4 -4.690 -11.521 -6.954 1.00 0.00 N ATOM 47 CA SER A 4 -5.829 -10.628 -7.130 1.00 0.00 C ATOM 48 C SER A 4 -6.646 -10.514 -5.848 1.00 0.00 C ATOM 49 O SER A 4 -6.553 -11.357 -4.955 1.00 0.00 O ATOM 50 CB SER A 4 -6.718 -11.109 -8.280 1.00 0.00 C ATOM 51 OG SER A 4 -6.051 -12.072 -9.077 1.00 0.00 O ATOM 0 H SER A 4 -4.773 -12.163 -6.166 1.00 0.00 H new ATOM 0 HA SER A 4 -5.440 -9.640 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.636 -11.539 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.008 -10.260 -8.898 1.00 0.00 H new ATOM 0 HG SER A 4 -6.642 -12.363 -9.802 1.00 0.00 H new ATOM 57 N GLY A 5 -7.438 -9.453 -5.771 1.00 0.00 N ATOM 58 CA GLY A 5 -8.266 -9.205 -4.609 1.00 0.00 C ATOM 59 C GLY A 5 -8.813 -7.796 -4.628 1.00 0.00 C ATOM 60 O GLY A 5 -8.089 -6.855 -4.944 1.00 0.00 O ATOM 0 H GLY A 5 -7.521 -8.750 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.089 -9.919 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.683 -9.361 -3.702 1.00 0.00 H new ATOM 64 N ALA A 6 -10.093 -7.642 -4.321 1.00 0.00 N ATOM 65 CA ALA A 6 -10.718 -6.328 -4.343 1.00 0.00 C ATOM 66 C ALA A 6 -10.418 -5.522 -3.082 1.00 0.00 C ATOM 67 O ALA A 6 -10.237 -6.078 -2.000 1.00 0.00 O ATOM 68 CB ALA A 6 -12.211 -6.468 -4.572 1.00 0.00 C ATOM 0 H ALA A 6 -10.715 -8.405 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.288 -5.767 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.671 -5.480 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.388 -6.965 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.649 -7.060 -3.768 1.00 0.00 H new ATOM 74 N ALA A 7 -10.351 -4.201 -3.247 1.00 0.00 N ATOM 75 CA ALA A 7 -10.052 -3.295 -2.141 1.00 0.00 C ATOM 76 C ALA A 7 -10.624 -1.899 -2.391 1.00 0.00 C ATOM 77 O ALA A 7 -11.113 -1.607 -3.482 1.00 0.00 O ATOM 78 CB ALA A 7 -8.550 -3.222 -1.931 1.00 0.00 C ATOM 0 H ALA A 7 -10.501 -3.734 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.524 -3.687 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.331 -2.545 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.167 -4.215 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.073 -2.853 -2.839 1.00 0.00 H new ATOM 84 N ILE A 8 -10.568 -1.043 -1.370 1.00 0.00 N ATOM 85 CA ILE A 8 -11.089 0.321 -1.480 1.00 0.00 C ATOM 86 C ILE A 8 -9.965 1.339 -1.655 1.00 0.00 C ATOM 87 O ILE A 8 -9.097 1.467 -0.794 1.00 0.00 O ATOM 88 CB ILE A 8 -11.914 0.730 -0.234 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.084 -0.236 0.041 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.440 2.151 -0.395 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.283 -1.317 -1.000 1.00 0.00 C ATOM 0 H ILE A 8 -10.168 -1.269 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.733 0.322 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.244 0.681 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.923 -0.711 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.003 0.345 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.018 2.427 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.602 2.838 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.077 2.205 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.129 -1.944 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.480 -0.858 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.383 -1.929 -1.065 1.00 0.00 H new ATOM 103 N PHE A 9 -9.998 2.077 -2.759 1.00 0.00 N ATOM 104 CA PHE A 9 -8.990 3.096 -3.021 1.00 0.00 C ATOM 105 C PHE A 9 -9.619 4.481 -3.146 1.00 0.00 C ATOM 106 O PHE A 9 -10.258 4.797 -4.150 1.00 0.00 O ATOM 107 CB PHE A 9 -8.209 2.769 -4.294 1.00 0.00 C ATOM 108 CG PHE A 9 -6.968 3.601 -4.464 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.052 4.973 -4.646 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.718 3.010 -4.441 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.911 5.737 -4.802 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.572 3.767 -4.596 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.669 5.133 -4.777 1.00 0.00 C ATOM 0 H PHE A 9 -10.710 1.989 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.305 3.103 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.932 1.715 -4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.858 2.917 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.021 5.450 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.636 1.942 -4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.990 6.805 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.603 3.291 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.776 5.728 -4.899 1.00 0.00 H new ATOM 123 N GLU A 10 -9.418 5.305 -2.122 1.00 0.00 N ATOM 124 CA GLU A 10 -9.940 6.672 -2.100 1.00 0.00 C ATOM 125 C GLU A 10 -11.463 6.699 -2.014 1.00 0.00 C ATOM 126 O GLU A 10 -12.126 7.404 -2.775 1.00 0.00 O ATOM 127 CB GLU A 10 -9.471 7.446 -3.336 1.00 0.00 C ATOM 128 CG GLU A 10 -8.113 8.106 -3.160 1.00 0.00 C ATOM 129 CD GLU A 10 -7.850 9.183 -4.195 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.020 8.903 -5.400 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.476 10.307 -3.799 1.00 0.00 O ATOM 0 H GLU A 10 -8.892 5.048 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.547 7.153 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.428 6.765 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.209 8.211 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.052 8.542 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.333 7.347 -3.224 1.00 0.00 H new ATOM 138 N LYS A 11 -12.012 5.939 -1.072 1.00 0.00 N ATOM 139 CA LYS A 11 -13.460 5.885 -0.868 1.00 0.00 C ATOM 140 C LYS A 11 -14.174 5.114 -1.979 1.00 0.00 C ATOM 141 O LYS A 11 -15.387 4.916 -1.915 1.00 0.00 O ATOM 142 CB LYS A 11 -14.039 7.299 -0.768 1.00 0.00 C ATOM 143 CG LYS A 11 -13.214 8.234 0.103 1.00 0.00 C ATOM 144 CD LYS A 11 -13.983 9.501 0.444 1.00 0.00 C ATOM 145 CE LYS A 11 -13.632 10.636 -0.504 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.658 11.715 -0.483 1.00 0.00 N ATOM 0 H LYS A 11 -11.476 5.349 -0.435 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.629 5.352 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.117 7.723 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.051 7.241 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.930 7.721 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.291 8.495 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.054 9.303 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.760 9.799 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.663 11.052 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.536 10.246 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.381 12.470 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.578 11.325 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.732 12.105 0.478 1.00 0.00 H new ATOM 160 N VAL A 12 -13.431 4.671 -2.991 1.00 0.00 N ATOM 161 CA VAL A 12 -14.023 3.922 -4.086 1.00 0.00 C ATOM 162 C VAL A 12 -13.744 2.444 -3.928 1.00 0.00 C ATOM 163 O VAL A 12 -12.732 2.047 -3.352 1.00 0.00 O ATOM 164 CB VAL A 12 -13.505 4.402 -5.458 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.791 3.379 -6.553 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.142 5.730 -5.798 1.00 0.00 C ATOM 0 H VAL A 12 -12.425 4.819 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.098 4.097 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.423 4.520 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.413 3.750 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.299 2.438 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.866 3.217 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.777 6.071 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.225 5.614 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.883 6.464 -5.034 1.00 0.00 H new ATOM 176 N SER A 13 -14.647 1.634 -4.445 1.00 0.00 N ATOM 177 CA SER A 13 -14.495 0.193 -4.360 1.00 0.00 C ATOM 178 C SER A 13 -14.126 -0.393 -5.714 1.00 0.00 C ATOM 179 O SER A 13 -14.915 -0.355 -6.658 1.00 0.00 O ATOM 180 CB SER A 13 -15.776 -0.457 -3.844 1.00 0.00 C ATOM 181 OG SER A 13 -16.466 0.405 -2.955 1.00 0.00 O ATOM 0 H SER A 13 -15.490 1.946 -4.926 1.00 0.00 H new ATOM 0 HA SER A 13 -13.688 -0.016 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.422 -0.710 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.534 -1.390 -3.335 1.00 0.00 H new ATOM 0 HG SER A 13 -17.283 -0.035 -2.641 1.00 0.00 H new ATOM 187 N GLY A 14 -12.920 -0.936 -5.799 1.00 0.00 N ATOM 188 CA GLY A 14 -12.459 -1.527 -7.038 1.00 0.00 C ATOM 189 C GLY A 14 -11.822 -2.881 -6.819 1.00 0.00 C ATOM 190 O GLY A 14 -12.071 -3.535 -5.807 1.00 0.00 O ATOM 0 H GLY A 14 -12.251 -0.978 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.299 -1.629 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.739 -0.860 -7.511 1.00 0.00 H new ATOM 194 N ILE A 15 -10.997 -3.301 -7.767 1.00 0.00 N ATOM 195 CA ILE A 15 -10.322 -4.582 -7.673 1.00 0.00 C ATOM 196 C ILE A 15 -8.815 -4.415 -7.686 1.00 0.00 C ATOM 197 O ILE A 15 -8.265 -3.733 -8.549 1.00 0.00 O ATOM 198 CB ILE A 15 -10.704 -5.523 -8.832 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.219 -5.511 -9.066 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.206 -6.936 -8.551 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.037 -5.798 -7.825 1.00 0.00 C ATOM 0 H ILE A 15 -10.780 -2.770 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.643 -5.020 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.224 -5.165 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.507 -4.537 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.464 -6.250 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.483 -7.590 -9.378 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.121 -6.925 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.657 -7.304 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.098 -5.771 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.780 -6.785 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.823 -5.045 -7.066 1.00 0.00 H new ATOM 213 N ILE A 16 -8.147 -5.078 -6.755 1.00 0.00 N ATOM 214 CA ILE A 16 -6.700 -5.035 -6.694 1.00 0.00 C ATOM 215 C ILE A 16 -6.169 -6.316 -7.303 1.00 0.00 C ATOM 216 O ILE A 16 -6.404 -7.404 -6.782 1.00 0.00 O ATOM 217 CB ILE A 16 -6.165 -4.890 -5.244 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.658 -3.469 -4.998 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.054 -5.895 -4.966 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.069 -3.270 -3.617 1.00 0.00 C ATOM 0 H ILE A 16 -8.586 -5.651 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.360 -4.157 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.991 -5.094 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.902 -3.227 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.481 -2.768 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.698 -5.770 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.438 -6.907 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.230 -5.728 -5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.729 -2.240 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.828 -3.481 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.225 -3.946 -3.481 1.00 0.00 H new ATOM 232 N ALA A 17 -5.473 -6.194 -8.413 1.00 0.00 N ATOM 233 CA ALA A 17 -4.940 -7.363 -9.075 1.00 0.00 C ATOM 234 C ALA A 17 -3.437 -7.242 -9.255 1.00 0.00 C ATOM 235 O ALA A 17 -2.941 -6.351 -9.943 1.00 0.00 O ATOM 236 CB ALA A 17 -5.660 -7.596 -10.386 1.00 0.00 C ATOM 0 H ALA A 17 -5.265 -5.307 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.113 -8.238 -8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.249 -8.479 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.722 -7.748 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.528 -6.729 -11.033 1.00 0.00 H new ATOM 242 N ILE A 18 -2.726 -8.141 -8.592 1.00 0.00 N ATOM 243 CA ILE A 18 -1.272 -8.157 -8.618 1.00 0.00 C ATOM 244 C ILE A 18 -0.730 -8.862 -9.856 1.00 0.00 C ATOM 245 O ILE A 18 -1.283 -9.864 -10.311 1.00 0.00 O ATOM 246 CB ILE A 18 -0.709 -8.843 -7.356 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.179 -8.106 -6.100 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.810 -8.901 -7.403 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.498 -9.026 -4.941 1.00 0.00 C ATOM 0 H ILE A 18 -3.140 -8.879 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.948 -7.117 -8.645 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.085 -9.866 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.406 -7.402 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.066 -7.520 -6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.184 -9.389 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.126 -9.467 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.211 -7.889 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.824 -8.434 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.292 -9.714 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.607 -9.593 -4.671 1.00 0.00 H new ATOM 261 N ASN A 19 0.365 -8.329 -10.384 1.00 0.00 N ATOM 262 CA ASN A 19 1.008 -8.898 -11.557 1.00 0.00 C ATOM 263 C ASN A 19 2.426 -9.341 -11.217 1.00 0.00 C ATOM 264 O ASN A 19 3.365 -8.551 -11.276 1.00 0.00 O ATOM 265 CB ASN A 19 1.037 -7.876 -12.697 1.00 0.00 C ATOM 266 CG ASN A 19 0.810 -8.518 -14.052 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.254 -8.367 -14.653 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.813 -9.238 -14.542 1.00 0.00 N ATOM 0 H ASN A 19 0.827 -7.498 -10.014 1.00 0.00 H new ATOM 0 HA ASN A 19 0.434 -9.767 -11.880 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.272 -7.119 -12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.999 -7.363 -12.697 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.719 -9.692 -15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.678 -9.337 -14.010 1.00 0.00 H new ATOM 275 N GLU A 20 2.570 -10.608 -10.849 1.00 0.00 N ATOM 276 CA GLU A 20 3.871 -11.161 -10.490 1.00 0.00 C ATOM 277 C GLU A 20 4.658 -11.587 -11.730 1.00 0.00 C ATOM 278 O GLU A 20 5.777 -12.086 -11.620 1.00 0.00 O ATOM 279 CB GLU A 20 3.694 -12.355 -9.550 1.00 0.00 C ATOM 280 CG GLU A 20 4.639 -12.336 -8.360 1.00 0.00 C ATOM 281 CD GLU A 20 5.760 -13.350 -8.490 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.705 -13.095 -9.264 1.00 0.00 O ATOM 283 OE2 GLU A 20 5.692 -14.399 -7.815 1.00 0.00 O ATOM 0 H GLU A 20 1.800 -11.274 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 20 4.437 -10.380 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.666 -12.372 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.849 -13.276 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.066 -11.339 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.075 -12.538 -7.449 1.00 0.00 H new ATOM 290 N ASP A 21 4.069 -11.389 -12.906 1.00 0.00 N ATOM 291 CA ASP A 21 4.721 -11.756 -14.159 1.00 0.00 C ATOM 292 C ASP A 21 5.681 -10.664 -14.627 1.00 0.00 C ATOM 293 O ASP A 21 6.302 -10.787 -15.684 1.00 0.00 O ATOM 294 CB ASP A 21 3.672 -12.015 -15.238 1.00 0.00 C ATOM 295 CG ASP A 21 2.870 -13.274 -14.976 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.948 -13.226 -14.134 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.163 -14.309 -15.612 1.00 0.00 O ATOM 0 H ASP A 21 3.143 -10.977 -13.017 1.00 0.00 H new ATOM 0 HA ASP A 21 5.297 -12.664 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.996 -11.162 -15.295 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.164 -12.097 -16.207 1.00 0.00 H new ATOM 302 N VAL A 22 5.802 -9.597 -13.843 1.00 0.00 N ATOM 303 CA VAL A 22 6.689 -8.491 -14.195 1.00 0.00 C ATOM 304 C VAL A 22 8.000 -8.572 -13.415 1.00 0.00 C ATOM 305 O VAL A 22 8.346 -9.619 -12.869 1.00 0.00 O ATOM 306 CB VAL A 22 6.039 -7.106 -13.960 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.890 -6.352 -15.272 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.707 -7.251 -13.277 1.00 0.00 C ATOM 0 H VAL A 22 5.300 -9.474 -12.964 1.00 0.00 H new ATOM 0 HA VAL A 22 6.889 -8.591 -15.262 1.00 0.00 H new ATOM 0 HB VAL A 22 6.695 -6.530 -13.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.431 -5.381 -15.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.872 -6.208 -15.722 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.260 -6.926 -15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.268 -6.265 -13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.042 -7.850 -13.899 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.844 -7.743 -12.314 1.00 0.00 H new ATOM 318 N SER A 23 8.721 -7.460 -13.371 1.00 0.00 N ATOM 319 CA SER A 23 9.991 -7.389 -12.662 1.00 0.00 C ATOM 320 C SER A 23 10.543 -5.966 -12.704 1.00 0.00 C ATOM 321 O SER A 23 11.116 -5.549 -13.710 1.00 0.00 O ATOM 322 CB SER A 23 11.000 -8.359 -13.282 1.00 0.00 C ATOM 323 OG SER A 23 11.293 -8.003 -14.621 1.00 0.00 O ATOM 0 H SER A 23 8.445 -6.588 -13.822 1.00 0.00 H new ATOM 0 HA SER A 23 9.823 -7.671 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.917 -8.360 -12.694 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.601 -9.373 -13.251 1.00 0.00 H new ATOM 0 HG SER A 23 11.301 -7.027 -14.706 1.00 0.00 H new ATOM 329 N PRO A 24 10.374 -5.190 -11.616 1.00 0.00 N ATOM 330 CA PRO A 24 9.698 -5.641 -10.391 1.00 0.00 C ATOM 331 C PRO A 24 8.211 -5.902 -10.608 1.00 0.00 C ATOM 332 O PRO A 24 7.636 -5.476 -11.610 1.00 0.00 O ATOM 333 CB PRO A 24 9.887 -4.476 -9.407 1.00 0.00 C ATOM 334 CG PRO A 24 10.911 -3.580 -10.021 1.00 0.00 C ATOM 335 CD PRO A 24 10.844 -3.804 -11.503 1.00 0.00 C ATOM 0 HA PRO A 24 10.112 -6.585 -10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.949 -3.944 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.218 -4.837 -8.434 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.709 -2.537 -9.777 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.906 -3.810 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.158 -3.107 -11.984 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.818 -3.670 -11.974 1.00 0.00 H new ATOM 343 N ALA A 25 7.590 -6.597 -9.656 1.00 0.00 N ATOM 344 CA ALA A 25 6.165 -6.903 -9.741 1.00 0.00 C ATOM 345 C ALA A 25 5.349 -5.627 -9.865 1.00 0.00 C ATOM 346 O ALA A 25 5.904 -4.541 -10.026 1.00 0.00 O ATOM 347 CB ALA A 25 5.710 -7.685 -8.521 1.00 0.00 C ATOM 0 H ALA A 25 8.050 -6.957 -8.820 1.00 0.00 H new ATOM 0 HA ALA A 25 6.006 -7.513 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.645 -7.903 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.268 -8.620 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.890 -7.095 -7.623 1.00 0.00 H new ATOM 353 N GLU A 26 4.030 -5.758 -9.782 1.00 0.00 N ATOM 354 CA GLU A 26 3.166 -4.593 -9.881 1.00 0.00 C ATOM 355 C GLU A 26 1.759 -4.873 -9.368 1.00 0.00 C ATOM 356 O GLU A 26 1.195 -5.946 -9.591 1.00 0.00 O ATOM 357 CB GLU A 26 3.102 -4.102 -11.328 1.00 0.00 C ATOM 358 CG GLU A 26 4.211 -3.126 -11.689 1.00 0.00 C ATOM 359 CD GLU A 26 3.770 -2.096 -12.711 1.00 0.00 C ATOM 360 OE1 GLU A 26 3.775 -2.417 -13.918 1.00 0.00 O ATOM 361 OE2 GLU A 26 3.420 -0.969 -12.304 1.00 0.00 O ATOM 0 H GLU A 26 3.544 -6.645 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 26 3.599 -3.818 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.153 -4.961 -11.997 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.138 -3.623 -11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.549 -2.616 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.064 -3.680 -12.081 1.00 0.00 H new ATOM 368 N LEU A 27 1.199 -3.876 -8.696 1.00 0.00 N ATOM 369 CA LEU A 27 -0.149 -3.951 -8.153 1.00 0.00 C ATOM 370 C LEU A 27 -1.059 -3.047 -8.983 1.00 0.00 C ATOM 371 O LEU A 27 -0.599 -2.043 -9.527 1.00 0.00 O ATOM 372 CB LEU A 27 -0.139 -3.507 -6.694 1.00 0.00 C ATOM 373 CG LEU A 27 -1.511 -3.239 -6.082 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.517 -3.666 -4.633 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.866 -1.767 -6.194 1.00 0.00 C ATOM 0 H LEU A 27 1.669 -2.990 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.519 -4.975 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.361 -4.274 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.460 -2.600 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.257 -3.816 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.499 -3.473 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.295 -4.731 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.762 -3.103 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.848 -1.595 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.121 -1.172 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.885 -1.476 -7.244 1.00 0.00 H new ATOM 387 N THR A 28 -2.333 -3.399 -9.107 1.00 0.00 N ATOM 388 CA THR A 28 -3.247 -2.591 -9.909 1.00 0.00 C ATOM 389 C THR A 28 -4.669 -2.593 -9.359 1.00 0.00 C ATOM 390 O THR A 28 -5.413 -3.556 -9.539 1.00 0.00 O ATOM 391 CB THR A 28 -3.259 -3.097 -11.351 1.00 0.00 C ATOM 392 OG1 THR A 28 -1.979 -3.575 -11.726 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.665 -2.039 -12.355 1.00 0.00 C ATOM 0 H THR A 28 -2.752 -4.221 -8.673 1.00 0.00 H new ATOM 0 HA THR A 28 -2.883 -1.564 -9.870 1.00 0.00 H new ATOM 0 HB THR A 28 -4.001 -3.896 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.008 -3.896 -12.652 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.652 -2.465 -13.358 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.670 -1.685 -12.124 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.966 -1.204 -12.307 1.00 0.00 H new ATOM 401 N TRP A 29 -5.050 -1.493 -8.718 1.00 0.00 N ATOM 402 CA TRP A 29 -6.385 -1.352 -8.179 1.00 0.00 C ATOM 403 C TRP A 29 -7.287 -0.683 -9.210 1.00 0.00 C ATOM 404 O TRP A 29 -7.130 0.499 -9.503 1.00 0.00 O ATOM 405 CB TRP A 29 -6.361 -0.504 -6.911 1.00 0.00 C ATOM 406 CG TRP A 29 -7.730 -0.214 -6.391 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.449 -0.998 -5.552 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.550 0.919 -6.696 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.673 -0.424 -5.298 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.758 0.757 -5.990 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.380 2.056 -7.490 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.790 1.690 -6.058 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.405 2.980 -7.557 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.597 2.794 -6.845 1.00 0.00 C ATOM 0 H TRP A 29 -4.445 -0.687 -8.562 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.768 -2.344 -7.938 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.786 -1.021 -6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.847 0.435 -7.116 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.110 -1.938 -5.142 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.398 -0.813 -4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.464 2.210 -8.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.710 1.548 -5.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.285 3.862 -8.169 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.379 3.536 -6.918 1.00 0.00 H new ATOM 425 N ARG A 30 -8.227 -1.441 -9.753 1.00 0.00 N ATOM 426 CA ARG A 30 -9.149 -0.908 -10.753 1.00 0.00 C ATOM 427 C ARG A 30 -10.551 -0.760 -10.174 1.00 0.00 C ATOM 428 O ARG A 30 -11.083 -1.690 -9.579 1.00 0.00 O ATOM 429 CB ARG A 30 -9.185 -1.819 -11.981 1.00 0.00 C ATOM 430 CG ARG A 30 -9.827 -1.173 -13.198 1.00 0.00 C ATOM 431 CD ARG A 30 -10.586 -2.191 -14.034 1.00 0.00 C ATOM 432 NE ARG A 30 -10.460 -1.927 -15.465 1.00 0.00 N ATOM 433 CZ ARG A 30 -10.844 -2.779 -16.412 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.379 -3.949 -16.085 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.695 -2.461 -17.692 1.00 0.00 N ATOM 0 H ARG A 30 -8.374 -2.423 -9.522 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.792 0.078 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.167 -2.117 -12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.731 -2.729 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.508 -0.385 -12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.058 -0.700 -13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.211 -3.191 -13.816 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.639 -2.177 -13.754 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.054 -1.037 -15.755 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.498 -4.199 -15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.672 -4.598 -16.815 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.286 -1.563 -17.950 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.990 -3.115 -18.418 1.00 0.00 H new ATOM 449 N SER A 31 -11.152 0.411 -10.355 1.00 0.00 N ATOM 450 CA SER A 31 -12.496 0.658 -9.841 1.00 0.00 C ATOM 451 C SER A 31 -13.442 -0.467 -10.249 1.00 0.00 C ATOM 452 O SER A 31 -13.220 -1.141 -11.255 1.00 0.00 O ATOM 453 CB SER A 31 -13.025 1.996 -10.363 1.00 0.00 C ATOM 454 OG SER A 31 -12.369 3.084 -9.735 1.00 0.00 O ATOM 0 H SER A 31 -10.734 1.199 -10.850 1.00 0.00 H new ATOM 0 HA SER A 31 -12.445 0.695 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.879 2.053 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.098 2.061 -10.183 1.00 0.00 H new ATOM 0 HG SER A 31 -11.925 2.771 -8.919 1.00 0.00 H new ATOM 460 N THR A 32 -14.496 -0.667 -9.467 1.00 0.00 N ATOM 461 CA THR A 32 -15.468 -1.710 -9.756 1.00 0.00 C ATOM 462 C THR A 32 -16.315 -1.304 -10.948 1.00 0.00 C ATOM 463 O THR A 32 -16.721 -2.137 -11.759 1.00 0.00 O ATOM 464 CB THR A 32 -16.352 -1.966 -8.532 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.608 -2.583 -7.497 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.546 -2.848 -8.826 1.00 0.00 C ATOM 0 H THR A 32 -14.698 -0.121 -8.630 1.00 0.00 H new ATOM 0 HA THR A 32 -14.940 -2.633 -9.996 1.00 0.00 H new ATOM 0 HB THR A 32 -16.714 -0.984 -8.229 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.610 -2.007 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.128 -2.988 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.169 -2.376 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.202 -3.817 -9.189 1.00 0.00 H new ATOM 474 N ASP A 33 -16.569 -0.010 -11.044 1.00 0.00 N ATOM 475 CA ASP A 33 -17.358 0.537 -12.132 1.00 0.00 C ATOM 476 C ASP A 33 -16.482 0.852 -13.343 1.00 0.00 C ATOM 477 O ASP A 33 -16.983 1.028 -14.454 1.00 0.00 O ATOM 478 CB ASP A 33 -18.093 1.798 -11.676 1.00 0.00 C ATOM 479 CG ASP A 33 -19.430 1.487 -11.031 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.377 1.138 -11.766 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.530 1.593 -9.790 1.00 0.00 O ATOM 0 H ASP A 33 -16.237 0.685 -10.375 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.090 -0.215 -12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.469 2.343 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.250 2.454 -12.533 1.00 0.00 H new ATOM 486 N GLY A 34 -15.171 0.924 -13.123 1.00 0.00 N ATOM 487 CA GLY A 34 -14.252 1.220 -14.206 1.00 0.00 C ATOM 488 C GLY A 34 -14.064 2.710 -14.411 1.00 0.00 C ATOM 489 O GLY A 34 -13.888 3.171 -15.539 1.00 0.00 O ATOM 0 H GLY A 34 -14.730 0.782 -12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.286 0.760 -13.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.624 0.773 -15.128 1.00 0.00 H new ATOM 493 N ASP A 35 -14.107 3.463 -13.318 1.00 0.00 N ATOM 494 CA ASP A 35 -13.948 4.913 -13.381 1.00 0.00 C ATOM 495 C ASP A 35 -12.482 5.322 -13.260 1.00 0.00 C ATOM 496 O ASP A 35 -12.097 6.409 -13.688 1.00 0.00 O ATOM 497 CB ASP A 35 -14.768 5.584 -12.279 1.00 0.00 C ATOM 498 CG ASP A 35 -16.238 5.216 -12.346 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.750 5.022 -13.468 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.875 5.120 -11.276 1.00 0.00 O ATOM 0 H ASP A 35 -14.250 3.095 -12.378 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.311 5.243 -14.354 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.368 5.297 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.663 6.666 -12.360 1.00 0.00 H new ATOM 505 N LYS A 36 -11.669 4.450 -12.673 1.00 0.00 N ATOM 506 CA LYS A 36 -10.248 4.735 -12.499 1.00 0.00 C ATOM 507 C LYS A 36 -9.514 3.550 -11.894 1.00 0.00 C ATOM 508 O LYS A 36 -10.122 2.634 -11.341 1.00 0.00 O ATOM 509 CB LYS A 36 -10.059 5.973 -11.617 1.00 0.00 C ATOM 510 CG LYS A 36 -10.463 5.754 -10.165 1.00 0.00 C ATOM 511 CD LYS A 36 -11.337 6.885 -9.644 1.00 0.00 C ATOM 512 CE LYS A 36 -10.593 7.747 -8.636 1.00 0.00 C ATOM 513 NZ LYS A 36 -9.917 6.926 -7.594 1.00 0.00 N ATOM 0 H LYS A 36 -11.967 3.544 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.825 4.927 -13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.013 6.278 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.645 6.795 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.000 4.809 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.569 5.672 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.669 7.503 -10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.231 6.470 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.853 8.355 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.293 8.434 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.915 7.443 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.426 6.027 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.937 6.734 -7.885 1.00 0.00 H new ATOM 527 N VAL A 37 -8.196 3.575 -12.030 1.00 0.00 N ATOM 528 CA VAL A 37 -7.349 2.511 -11.532 1.00 0.00 C ATOM 529 C VAL A 37 -6.013 3.061 -11.035 1.00 0.00 C ATOM 530 O VAL A 37 -5.475 4.014 -11.599 1.00 0.00 O ATOM 531 CB VAL A 37 -7.108 1.470 -12.642 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.944 2.166 -13.988 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.906 0.580 -12.331 1.00 0.00 C ATOM 0 H VAL A 37 -7.689 4.333 -12.488 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.856 2.035 -10.692 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.981 0.820 -12.690 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.774 1.420 -14.765 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.848 2.731 -14.218 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.093 2.845 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.769 -0.141 -13.137 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.011 1.196 -12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.079 0.049 -11.395 1.00 0.00 H new ATOM 543 N HIS A 38 -5.484 2.450 -9.982 1.00 0.00 N ATOM 544 CA HIS A 38 -4.210 2.874 -9.413 1.00 0.00 C ATOM 545 C HIS A 38 -3.187 1.745 -9.486 1.00 0.00 C ATOM 546 O HIS A 38 -3.395 0.669 -8.927 1.00 0.00 O ATOM 547 CB HIS A 38 -4.395 3.317 -7.961 1.00 0.00 C ATOM 548 CG HIS A 38 -4.791 4.754 -7.820 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.102 5.181 -7.861 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.041 5.866 -7.636 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.140 6.493 -7.710 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.904 6.933 -7.571 1.00 0.00 N ATOM 0 H HIS A 38 -5.917 1.659 -9.505 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.841 3.718 -9.995 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.155 2.691 -7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.465 3.150 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.965 5.907 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.032 7.102 -7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.633 7.907 -7.437 1.00 0.00 H new ATOM 561 N THR A 39 -2.082 1.998 -10.180 1.00 0.00 N ATOM 562 CA THR A 39 -1.029 0.999 -10.325 1.00 0.00 C ATOM 563 C THR A 39 0.072 1.222 -9.294 1.00 0.00 C ATOM 564 O THR A 39 0.387 2.359 -8.943 1.00 0.00 O ATOM 565 CB THR A 39 -0.443 1.043 -11.739 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.311 1.732 -12.622 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.192 -0.332 -12.322 1.00 0.00 C ATOM 0 H THR A 39 -1.893 2.883 -10.650 1.00 0.00 H new ATOM 0 HA THR A 39 -1.467 0.015 -10.156 1.00 0.00 H new ATOM 0 HB THR A 39 0.511 1.561 -11.642 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.918 1.750 -13.519 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.223 -0.232 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.513 -0.872 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.131 -0.883 -12.371 1.00 0.00 H new ATOM 575 N VAL A 40 0.645 0.129 -8.805 1.00 0.00 N ATOM 576 CA VAL A 40 1.702 0.203 -7.803 1.00 0.00 C ATOM 577 C VAL A 40 2.921 -0.616 -8.213 1.00 0.00 C ATOM 578 O VAL A 40 2.794 -1.742 -8.694 1.00 0.00 O ATOM 579 CB VAL A 40 1.185 -0.299 -6.430 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.060 -1.397 -5.841 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.065 0.834 -5.436 1.00 0.00 C ATOM 0 H VAL A 40 0.396 -0.819 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 40 1.999 1.249 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 40 0.197 -0.719 -6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.652 -1.711 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.083 -2.248 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.072 -1.019 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.700 0.446 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.042 1.294 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.366 1.579 -5.816 1.00 0.00 H new ATOM 591 N VAL A 41 4.099 -0.060 -7.975 1.00 0.00 N ATOM 592 CA VAL A 41 5.339 -0.755 -8.269 1.00 0.00 C ATOM 593 C VAL A 41 5.936 -1.266 -6.968 1.00 0.00 C ATOM 594 O VAL A 41 6.636 -0.533 -6.269 1.00 0.00 O ATOM 595 CB VAL A 41 6.360 0.151 -8.984 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.563 -0.658 -9.448 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.708 0.870 -10.155 1.00 0.00 C ATOM 0 H VAL A 41 4.221 0.872 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 41 5.111 -1.582 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 41 6.709 0.902 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.272 -0.000 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.045 -1.120 -8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.235 -1.434 -10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.444 1.505 -10.648 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.328 0.137 -10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.884 1.484 -9.792 1.00 0.00 H new ATOM 607 N LEU A 42 5.634 -2.521 -6.634 1.00 0.00 N ATOM 608 CA LEU A 42 6.114 -3.137 -5.399 1.00 0.00 C ATOM 609 C LEU A 42 7.581 -2.801 -5.118 1.00 0.00 C ATOM 610 O LEU A 42 8.024 -2.843 -3.970 1.00 0.00 O ATOM 611 CB LEU A 42 5.921 -4.650 -5.465 1.00 0.00 C ATOM 612 CG LEU A 42 4.479 -5.147 -5.282 1.00 0.00 C ATOM 613 CD1 LEU A 42 4.129 -5.261 -3.814 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.476 -4.236 -5.961 1.00 0.00 C ATOM 0 H LEU A 42 5.054 -3.134 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 42 5.527 -2.729 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.288 -5.003 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.544 -5.111 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 42 4.426 -6.131 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.103 -5.615 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.806 -5.966 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.225 -4.284 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.469 -4.624 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.548 -3.235 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.689 -4.193 -7.029 1.00 0.00 H new ATOM 626 N SER A 43 8.322 -2.448 -6.163 1.00 0.00 N ATOM 627 CA SER A 43 9.722 -2.083 -6.015 1.00 0.00 C ATOM 628 C SER A 43 9.817 -0.683 -5.434 1.00 0.00 C ATOM 629 O SER A 43 10.517 -0.452 -4.447 1.00 0.00 O ATOM 630 CB SER A 43 10.439 -2.147 -7.364 1.00 0.00 C ATOM 631 OG SER A 43 11.426 -3.166 -7.370 1.00 0.00 O ATOM 0 H SER A 43 7.974 -2.408 -7.121 1.00 0.00 H new ATOM 0 HA SER A 43 10.206 -2.789 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.714 -2.334 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.904 -1.185 -7.578 1.00 0.00 H new ATOM 0 HG SER A 43 12.273 -2.799 -7.700 1.00 0.00 H new ATOM 637 N THR A 44 9.082 0.247 -6.038 1.00 0.00 N ATOM 638 CA THR A 44 9.057 1.611 -5.568 1.00 0.00 C ATOM 639 C THR A 44 8.429 1.656 -4.182 1.00 0.00 C ATOM 640 O THR A 44 8.748 2.527 -3.373 1.00 0.00 O ATOM 641 CB THR A 44 8.263 2.477 -6.540 1.00 0.00 C ATOM 642 OG1 THR A 44 6.880 2.172 -6.476 1.00 0.00 O ATOM 643 CG2 THR A 44 8.705 2.323 -7.979 1.00 0.00 C ATOM 0 H THR A 44 8.498 0.071 -6.855 1.00 0.00 H new ATOM 0 HA THR A 44 10.075 1.997 -5.509 1.00 0.00 H new ATOM 0 HB THR A 44 8.452 3.504 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.764 1.220 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.099 2.967 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.754 2.606 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.581 1.285 -8.289 1.00 0.00 H new ATOM 651 N ILE A 45 7.545 0.695 -3.906 1.00 0.00 N ATOM 652 CA ILE A 45 6.891 0.619 -2.607 1.00 0.00 C ATOM 653 C ILE A 45 7.928 0.537 -1.487 1.00 0.00 C ATOM 654 O ILE A 45 8.605 -0.479 -1.331 1.00 0.00 O ATOM 655 CB ILE A 45 5.965 -0.612 -2.516 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.869 -0.539 -3.583 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.359 -0.724 -1.123 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.927 0.633 -3.414 1.00 0.00 C ATOM 0 H ILE A 45 7.270 -0.035 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 45 6.294 1.524 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 45 6.560 -1.507 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.336 -0.479 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.291 -1.463 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.709 -1.598 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.156 -0.826 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.778 0.172 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.179 0.616 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.431 0.564 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.491 1.564 -3.467 1.00 0.00 H new ATOM 670 N ASP A 46 8.044 1.608 -0.706 1.00 0.00 N ATOM 671 CA ASP A 46 8.997 1.647 0.400 1.00 0.00 C ATOM 672 C ASP A 46 8.801 0.451 1.328 1.00 0.00 C ATOM 673 O ASP A 46 9.766 -0.110 1.847 1.00 0.00 O ATOM 674 CB ASP A 46 8.843 2.949 1.189 1.00 0.00 C ATOM 675 CG ASP A 46 9.860 3.073 2.306 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.053 3.278 2.002 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.462 2.966 3.486 1.00 0.00 O ATOM 0 H ASP A 46 7.492 2.458 -0.818 1.00 0.00 H new ATOM 0 HA ASP A 46 10.003 1.601 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.948 3.796 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.838 2.999 1.609 1.00 0.00 H new ATOM 682 N LYS A 47 7.545 0.067 1.526 1.00 0.00 N ATOM 683 CA LYS A 47 7.216 -1.063 2.385 1.00 0.00 C ATOM 684 C LYS A 47 5.761 -1.482 2.197 1.00 0.00 C ATOM 685 O LYS A 47 4.978 -0.772 1.570 1.00 0.00 O ATOM 686 CB LYS A 47 7.476 -0.714 3.853 1.00 0.00 C ATOM 687 CG LYS A 47 6.617 0.428 4.371 1.00 0.00 C ATOM 688 CD LYS A 47 6.990 0.801 5.797 1.00 0.00 C ATOM 689 CE LYS A 47 6.962 2.306 6.005 1.00 0.00 C ATOM 690 NZ LYS A 47 8.062 2.764 6.898 1.00 0.00 N ATOM 0 H LYS A 47 6.737 0.523 1.102 1.00 0.00 H new ATOM 0 HA LYS A 47 7.856 -1.899 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.297 -1.598 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.527 -0.450 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.735 1.297 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.566 0.142 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.299 0.324 6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.985 0.420 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.045 2.807 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.002 2.595 6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.008 3.796 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.969 2.305 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.979 2.511 6.477 1.00 0.00 H new ATOM 704 N LEU A 48 5.409 -2.639 2.745 1.00 0.00 N ATOM 705 CA LEU A 48 4.049 -3.155 2.636 1.00 0.00 C ATOM 706 C LEU A 48 3.333 -3.079 3.983 1.00 0.00 C ATOM 707 O LEU A 48 3.725 -3.746 4.940 1.00 0.00 O ATOM 708 CB LEU A 48 4.072 -4.603 2.145 1.00 0.00 C ATOM 709 CG LEU A 48 2.696 -5.248 1.969 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.104 -4.871 0.620 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.789 -6.763 2.111 1.00 0.00 C ATOM 0 H LEU A 48 6.046 -3.238 3.270 1.00 0.00 H new ATOM 0 HA LEU A 48 3.508 -2.540 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.598 -4.639 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.649 -5.201 2.850 1.00 0.00 H new ATOM 0 HG LEU A 48 2.037 -4.874 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.125 -5.337 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.999 -3.788 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.763 -5.217 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.800 -7.202 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.463 -7.159 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.171 -7.013 3.101 1.00 0.00 H new ATOM 723 N GLN A 49 2.280 -2.271 4.051 1.00 0.00 N ATOM 724 CA GLN A 49 1.512 -2.118 5.278 1.00 0.00 C ATOM 725 C GLN A 49 0.172 -2.827 5.148 1.00 0.00 C ATOM 726 O GLN A 49 -0.438 -2.815 4.084 1.00 0.00 O ATOM 727 CB GLN A 49 1.283 -0.638 5.577 1.00 0.00 C ATOM 728 CG GLN A 49 1.600 -0.249 7.013 1.00 0.00 C ATOM 729 CD GLN A 49 2.633 0.857 7.106 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.291 2.035 7.207 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.907 0.483 7.070 1.00 0.00 N ATOM 0 H GLN A 49 1.940 -1.712 3.269 1.00 0.00 H new ATOM 0 HA GLN A 49 2.075 -2.564 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.898 -0.041 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.243 -0.390 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.684 0.073 7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.963 -1.125 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.146 -0.505 6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.646 1.184 7.127 1.00 0.00 H new ATOM 740 N ALA A 50 -0.281 -3.454 6.222 1.00 0.00 N ATOM 741 CA ALA A 50 -1.546 -4.165 6.198 1.00 0.00 C ATOM 742 C ALA A 50 -2.126 -4.311 7.600 1.00 0.00 C ATOM 743 O ALA A 50 -1.397 -4.574 8.557 1.00 0.00 O ATOM 744 CB ALA A 50 -1.343 -5.519 5.550 1.00 0.00 C ATOM 0 H ALA A 50 0.207 -3.484 7.117 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.265 -3.591 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.290 -6.058 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.980 -5.384 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.613 -6.091 6.123 1.00 0.00 H new ATOM 750 N THR A 51 -3.440 -4.133 7.719 1.00 0.00 N ATOM 751 CA THR A 51 -4.105 -4.244 9.013 1.00 0.00 C ATOM 752 C THR A 51 -3.848 -5.609 9.648 1.00 0.00 C ATOM 753 O THR A 51 -3.826 -6.629 8.957 1.00 0.00 O ATOM 754 CB THR A 51 -5.608 -4.017 8.857 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.185 -5.028 8.051 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.949 -2.681 8.233 1.00 0.00 C ATOM 0 H THR A 51 -4.061 -3.913 6.940 1.00 0.00 H new ATOM 0 HA THR A 51 -3.693 -3.478 9.670 1.00 0.00 H new ATOM 0 HB THR A 51 -6.012 -4.040 9.869 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.400 -5.806 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.032 -2.583 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.559 -1.877 8.858 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.503 -2.618 7.240 1.00 0.00 H new ATOM 847 N MET A 58 -9.958 -4.964 8.016 1.00 0.00 N ATOM 848 CA MET A 58 -9.078 -5.649 7.074 1.00 0.00 C ATOM 849 C MET A 58 -8.705 -4.731 5.913 1.00 0.00 C ATOM 850 O MET A 58 -9.537 -4.431 5.056 1.00 0.00 O ATOM 851 CB MET A 58 -9.757 -6.914 6.546 1.00 0.00 C ATOM 852 CG MET A 58 -11.176 -6.681 6.049 1.00 0.00 C ATOM 853 SD MET A 58 -12.432 -7.155 7.257 1.00 0.00 S ATOM 854 CE MET A 58 -11.954 -8.845 7.604 1.00 0.00 C ATOM 0 HA MET A 58 -8.164 -5.927 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.159 -7.325 5.733 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.776 -7.663 7.337 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.299 -5.627 5.799 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.331 -7.247 5.130 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.746 -9.521 7.281 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.035 -9.080 7.068 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.790 -8.964 8.675 1.00 0.00 H new ATOM 864 N MET A 59 -7.453 -4.278 5.894 1.00 0.00 N ATOM 865 CA MET A 59 -6.982 -3.385 4.843 1.00 0.00 C ATOM 866 C MET A 59 -5.494 -3.571 4.564 1.00 0.00 C ATOM 867 O MET A 59 -4.723 -3.934 5.452 1.00 0.00 O ATOM 868 CB MET A 59 -7.238 -1.935 5.244 1.00 0.00 C ATOM 869 CG MET A 59 -8.657 -1.676 5.722 1.00 0.00 C ATOM 870 SD MET A 59 -8.964 0.065 6.074 1.00 0.00 S ATOM 871 CE MET A 59 -8.595 0.123 7.825 1.00 0.00 C ATOM 0 H MET A 59 -6.750 -4.515 6.594 1.00 0.00 H new ATOM 0 HA MET A 59 -7.532 -3.629 3.934 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.541 -1.657 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.027 -1.289 4.392 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.360 -2.019 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.847 -2.263 6.620 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.739 1.139 8.194 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.261 -0.555 8.360 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.561 -0.180 7.989 1.00 0.00 H new ATOM 881 N LEU A 60 -5.096 -3.289 3.326 1.00 0.00 N ATOM 882 CA LEU A 60 -3.690 -3.393 2.928 1.00 0.00 C ATOM 883 C LEU A 60 -3.201 -2.063 2.357 1.00 0.00 C ATOM 884 O LEU A 60 -3.990 -1.281 1.826 1.00 0.00 O ATOM 885 CB LEU A 60 -3.485 -4.499 1.890 1.00 0.00 C ATOM 886 CG LEU A 60 -3.952 -5.899 2.299 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.476 -6.915 1.282 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.430 -6.274 3.674 1.00 0.00 C ATOM 0 H LEU A 60 -5.724 -2.987 2.581 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.113 -3.643 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.009 -4.215 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.424 -4.549 1.646 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.041 -5.895 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.811 -7.910 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.887 -6.670 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.387 -6.898 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.779 -7.273 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.340 -6.261 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.796 -5.558 4.410 1.00 0.00 H new ATOM 900 N ARG A 61 -1.902 -1.805 2.478 1.00 0.00 N ATOM 901 CA ARG A 61 -1.324 -0.559 1.982 1.00 0.00 C ATOM 902 C ARG A 61 0.141 -0.725 1.589 1.00 0.00 C ATOM 903 O ARG A 61 0.856 -1.547 2.156 1.00 0.00 O ATOM 904 CB ARG A 61 -1.427 0.519 3.060 1.00 0.00 C ATOM 905 CG ARG A 61 -0.967 1.895 2.602 1.00 0.00 C ATOM 906 CD ARG A 61 -0.712 2.816 3.783 1.00 0.00 C ATOM 907 NE ARG A 61 -1.798 2.770 4.759 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.704 3.247 5.998 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.575 3.807 6.416 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.740 3.166 6.822 1.00 0.00 N ATOM 0 H ARG A 61 -1.232 -2.439 2.913 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.885 -0.270 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.462 0.586 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.832 0.216 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.056 1.798 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.723 2.335 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.223 2.534 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.589 3.838 3.425 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.681 2.347 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.225 3.873 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.508 4.171 7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.610 2.738 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.666 3.532 7.771 1.00 0.00 H new ATOM 924 N LEU A 62 0.587 0.086 0.634 1.00 0.00 N ATOM 925 CA LEU A 62 1.975 0.061 0.186 1.00 0.00 C ATOM 926 C LEU A 62 2.569 1.464 0.261 1.00 0.00 C ATOM 927 O LEU A 62 2.097 2.383 -0.409 1.00 0.00 O ATOM 928 CB LEU A 62 2.079 -0.470 -1.243 1.00 0.00 C ATOM 929 CG LEU A 62 1.454 -1.845 -1.467 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.251 -1.728 -2.380 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.470 -2.825 -2.043 1.00 0.00 C ATOM 0 H LEU A 62 0.004 0.771 0.154 1.00 0.00 H new ATOM 0 HA LEU A 62 2.534 -0.606 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.602 0.243 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.132 -0.516 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 62 1.128 -2.233 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.187 -2.714 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.489 -1.069 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.562 -1.316 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.996 -3.795 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.836 -2.450 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.305 -2.932 -1.351 1.00 0.00 H new ATOM 943 N ILE A 63 3.598 1.630 1.084 1.00 0.00 N ATOM 944 CA ILE A 63 4.241 2.929 1.245 1.00 0.00 C ATOM 945 C ILE A 63 5.144 3.243 0.060 1.00 0.00 C ATOM 946 O ILE A 63 5.604 2.341 -0.636 1.00 0.00 O ATOM 947 CB ILE A 63 5.077 2.993 2.540 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.331 2.326 3.698 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.414 4.438 2.882 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.950 2.894 3.937 1.00 0.00 C ATOM 0 H ILE A 63 4.004 0.884 1.649 1.00 0.00 H new ATOM 0 HA ILE A 63 3.442 3.669 1.302 1.00 0.00 H new ATOM 0 HB ILE A 63 6.008 2.450 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.245 1.258 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.921 2.433 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.004 4.467 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.987 4.881 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.493 5.002 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.482 2.373 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.029 3.956 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.343 2.763 3.041 1.00 0.00 H new ATOM 962 N GLY A 64 5.395 4.529 -0.163 1.00 0.00 N ATOM 963 CA GLY A 64 6.244 4.941 -1.266 1.00 0.00 C ATOM 964 C GLY A 64 7.448 5.739 -0.803 1.00 0.00 C ATOM 965 O GLY A 64 7.304 6.733 -0.091 1.00 0.00 O ATOM 0 H GLY A 64 5.025 5.294 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.583 4.059 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.661 5.541 -1.965 1.00 0.00 H new ATOM 991 N VAL A 66 10.163 8.366 -0.490 1.00 0.00 N ATOM 992 CA VAL A 66 10.219 9.770 -0.879 1.00 0.00 C ATOM 993 C VAL A 66 11.659 10.215 -1.126 1.00 0.00 C ATOM 994 O VAL A 66 12.605 9.567 -0.679 1.00 0.00 O ATOM 995 CB VAL A 66 9.587 10.672 0.198 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.363 10.581 1.501 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.504 12.112 -0.283 1.00 0.00 C ATOM 0 HA VAL A 66 9.651 9.869 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 66 8.573 10.319 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.899 11.226 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.356 9.551 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.392 10.901 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.054 12.730 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.506 12.480 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.892 12.160 -1.184 1.00 0.00 H new ATOM 1007 N ASP A 67 11.816 11.325 -1.839 1.00 0.00 N ATOM 1008 CA ASP A 67 13.138 11.858 -2.145 1.00 0.00 C ATOM 1009 C ASP A 67 13.352 13.204 -1.458 1.00 0.00 C ATOM 1010 O ASP A 67 13.519 14.231 -2.116 1.00 0.00 O ATOM 1011 CB ASP A 67 13.314 12.007 -3.657 1.00 0.00 C ATOM 1012 CG ASP A 67 13.445 10.670 -4.360 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.579 10.153 -4.446 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.413 10.140 -4.823 1.00 0.00 O ATOM 0 H ASP A 67 11.043 11.873 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 67 13.883 11.156 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.461 12.548 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.200 12.609 -3.859 1.00 0.00 H new ATOM 1019 N GLU A 68 13.344 13.190 -0.129 1.00 0.00 N ATOM 1020 CA GLU A 68 13.536 14.408 0.651 1.00 0.00 C ATOM 1021 C GLU A 68 14.920 15.008 0.411 1.00 0.00 C ATOM 1022 O GLU A 68 15.158 16.179 0.710 1.00 0.00 O ATOM 1023 CB GLU A 68 13.346 14.119 2.142 1.00 0.00 C ATOM 1024 CG GLU A 68 14.380 13.160 2.711 1.00 0.00 C ATOM 1025 CD GLU A 68 13.793 12.217 3.743 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.640 12.634 4.910 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.486 11.061 3.383 1.00 0.00 O ATOM 0 H GLU A 68 13.207 12.348 0.431 1.00 0.00 H new ATOM 0 HA GLU A 68 12.789 15.133 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.390 15.058 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.351 13.703 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.817 12.578 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.190 13.731 3.165 1.00 0.00 H new ATOM 1034 N SER A 69 15.830 14.202 -0.128 1.00 0.00 N ATOM 1035 CA SER A 69 17.187 14.659 -0.406 1.00 0.00 C ATOM 1036 C SER A 69 17.183 15.857 -1.351 1.00 0.00 C ATOM 1037 O SER A 69 18.143 16.627 -1.397 1.00 0.00 O ATOM 1038 CB SER A 69 18.017 13.524 -1.007 1.00 0.00 C ATOM 1039 OG SER A 69 19.404 13.775 -0.864 1.00 0.00 O ATOM 0 H SER A 69 15.652 13.230 -0.381 1.00 0.00 H new ATOM 0 HA SER A 69 17.635 14.970 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.762 12.584 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.772 13.410 -2.063 1.00 0.00 H new ATOM 0 HG SER A 69 19.913 13.034 -1.255 1.00 0.00 H new ATOM 1045 N LYS A 70 16.099 16.009 -2.103 1.00 0.00 N ATOM 1046 CA LYS A 70 15.970 17.113 -3.045 1.00 0.00 C ATOM 1047 C LYS A 70 15.670 18.418 -2.316 1.00 0.00 C ATOM 1048 O LYS A 70 16.502 19.325 -2.276 1.00 0.00 O ATOM 1049 CB LYS A 70 14.866 16.817 -4.062 1.00 0.00 C ATOM 1050 CG LYS A 70 15.115 15.562 -4.883 1.00 0.00 C ATOM 1051 CD LYS A 70 15.721 15.893 -6.237 1.00 0.00 C ATOM 1052 CE LYS A 70 14.656 15.971 -7.319 1.00 0.00 C ATOM 1053 NZ LYS A 70 13.582 16.942 -6.972 1.00 0.00 N ATOM 0 H LYS A 70 15.296 15.380 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 70 16.919 17.222 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.917 16.714 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.767 17.668 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.783 14.896 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.176 15.026 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.251 16.844 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.457 15.134 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.118 16.262 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.218 14.984 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.940 17.054 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.047 16.590 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.008 17.861 -6.738 1.00 0.00 H new ATOM 1067 N LYS A 71 14.475 18.506 -1.739 1.00 0.00 N ATOM 1068 CA LYS A 71 14.063 19.701 -1.009 1.00 0.00 C ATOM 1069 C LYS A 71 14.167 20.943 -1.891 1.00 0.00 C ATOM 1070 O LYS A 71 15.204 21.604 -1.927 1.00 0.00 O ATOM 1071 CB LYS A 71 14.921 19.879 0.245 1.00 0.00 C ATOM 1072 CG LYS A 71 14.680 18.815 1.303 1.00 0.00 C ATOM 1073 CD LYS A 71 14.260 19.429 2.630 1.00 0.00 C ATOM 1074 CE LYS A 71 14.890 18.700 3.805 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.002 19.574 5.006 1.00 0.00 N ATOM 0 H LYS A 71 13.775 17.764 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 71 13.021 19.574 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.973 19.865 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.721 20.860 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.907 18.128 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.588 18.229 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.550 20.479 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.174 19.396 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.293 17.822 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.880 18.343 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.437 19.039 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.593 20.400 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.055 19.894 5.292 1.00 0.00 H new ATOM 1089 N ARG A 72 13.088 21.252 -2.601 1.00 0.00 N ATOM 1090 CA ARG A 72 13.057 22.412 -3.484 1.00 0.00 C ATOM 1091 C ARG A 72 12.431 23.613 -2.783 1.00 0.00 C ATOM 1092 O ARG A 72 12.029 23.527 -1.622 1.00 0.00 O ATOM 1093 CB ARG A 72 12.277 22.085 -4.760 1.00 0.00 C ATOM 1094 CG ARG A 72 13.166 21.757 -5.948 1.00 0.00 C ATOM 1095 CD ARG A 72 12.781 22.568 -7.176 1.00 0.00 C ATOM 1096 NE ARG A 72 12.802 21.761 -8.394 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.905 21.224 -8.908 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.078 21.405 -8.315 1.00 0.00 N ATOM 1099 NH2 ARG A 72 13.836 20.504 -10.019 1.00 0.00 N ATOM 0 H ARG A 72 12.221 20.714 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 72 14.084 22.665 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.617 21.239 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.642 22.933 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.206 21.957 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.092 20.694 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.785 22.987 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.467 23.408 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 72 11.919 21.600 -8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.137 21.958 -7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.920 20.991 -8.714 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.937 20.362 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.682 20.092 -10.413 1.00 0.00 H new ATOM 1113 N LYS A 73 12.350 24.729 -3.498 1.00 0.00 N ATOM 1114 CA LYS A 73 11.771 25.949 -2.949 1.00 0.00 C ATOM 1115 C LYS A 73 10.799 26.580 -3.940 1.00 0.00 C ATOM 1116 O LYS A 73 10.428 25.963 -4.939 1.00 0.00 O ATOM 1117 CB LYS A 73 12.874 26.947 -2.589 1.00 0.00 C ATOM 1118 CG LYS A 73 14.028 26.326 -1.818 1.00 0.00 C ATOM 1119 CD LYS A 73 14.350 27.117 -0.560 1.00 0.00 C ATOM 1120 CE LYS A 73 15.643 26.640 0.082 1.00 0.00 C ATOM 1121 NZ LYS A 73 16.431 27.770 0.650 1.00 0.00 N ATOM 0 H LYS A 73 12.678 24.814 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 73 11.222 25.687 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.259 27.396 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.443 27.753 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.776 25.300 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.910 26.281 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.434 28.176 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.531 27.019 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.414 25.924 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.244 26.115 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.305 27.403 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.672 28.441 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.867 28.256 1.376 1.00 0.00 H new ATOM 1135 N ASP A 74 10.389 27.812 -3.659 1.00 0.00 N ATOM 1136 CA ASP A 74 9.459 28.524 -4.528 1.00 0.00 C ATOM 1137 C ASP A 74 9.918 29.962 -4.753 1.00 0.00 C ATOM 1138 O ASP A 74 10.993 30.358 -4.305 1.00 0.00 O ATOM 1139 CB ASP A 74 8.054 28.509 -3.925 1.00 0.00 C ATOM 1140 CG ASP A 74 6.972 28.392 -4.980 1.00 0.00 C ATOM 1141 OD1 ASP A 74 6.908 27.340 -5.651 1.00 0.00 O ATOM 1142 OD2 ASP A 74 6.189 29.352 -5.136 1.00 0.00 O ATOM 0 H ASP A 74 10.686 28.338 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 74 9.437 28.016 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.970 27.675 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.899 29.422 -3.350 1.00 0.00 H new ATOM 1147 N ASN A 75 9.097 30.737 -5.454 1.00 0.00 N ATOM 1148 CA ASN A 75 9.419 32.132 -5.741 1.00 0.00 C ATOM 1149 C ASN A 75 9.649 32.923 -4.458 1.00 0.00 C ATOM 1150 O ASN A 75 10.305 33.965 -4.471 1.00 0.00 O ATOM 1151 CB ASN A 75 8.299 32.777 -6.560 1.00 0.00 C ATOM 1152 CG ASN A 75 8.029 32.037 -7.855 1.00 0.00 C ATOM 1153 OD1 ASN A 75 8.602 30.978 -8.110 1.00 0.00 O ATOM 1154 ND2 ASN A 75 7.150 32.593 -8.681 1.00 0.00 N ATOM 0 H ASN A 75 8.204 30.424 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 75 10.342 32.149 -6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.387 32.805 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.565 33.810 -6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.926 32.141 -9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.699 33.472 -8.429 1.00 0.00 H new ATOM 1161 N GLU A 76 9.107 32.425 -3.354 1.00 0.00 N ATOM 1162 CA GLU A 76 9.253 33.088 -2.063 1.00 0.00 C ATOM 1163 C GLU A 76 10.161 32.285 -1.137 1.00 0.00 C ATOM 1164 O GLU A 76 9.963 32.264 0.077 1.00 0.00 O ATOM 1165 CB GLU A 76 7.885 33.285 -1.409 1.00 0.00 C ATOM 1166 CG GLU A 76 6.990 34.263 -2.151 1.00 0.00 C ATOM 1167 CD GLU A 76 6.598 33.765 -3.528 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.060 32.641 -3.622 1.00 0.00 O ATOM 1169 OE2 GLU A 76 6.827 34.498 -4.513 1.00 0.00 O ATOM 0 H GLU A 76 8.562 31.563 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 76 9.710 34.063 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.380 32.321 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.028 33.639 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.089 34.443 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.504 35.219 -2.247 1.00 0.00 H new ATOM 1176 N GLY A 77 11.157 31.623 -1.720 1.00 0.00 N ATOM 1177 CA GLY A 77 12.080 30.826 -0.932 1.00 0.00 C ATOM 1178 C GLY A 77 11.372 29.777 -0.095 1.00 0.00 C ATOM 1179 O GLY A 77 11.893 29.335 0.929 1.00 0.00 O ATOM 0 H GLY A 77 11.341 31.625 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.792 30.336 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.654 31.482 -0.278 1.00 0.00 H new ATOM 1183 N ASN A 78 10.181 29.380 -0.531 1.00 0.00 N ATOM 1184 CA ASN A 78 9.398 28.379 0.184 1.00 0.00 C ATOM 1185 C ASN A 78 10.134 27.042 0.229 1.00 0.00 C ATOM 1186 O ASN A 78 11.312 26.958 -0.118 1.00 0.00 O ATOM 1187 CB ASN A 78 8.030 28.205 -0.481 1.00 0.00 C ATOM 1188 CG ASN A 78 6.905 28.787 0.353 1.00 0.00 C ATOM 1189 OD1 ASN A 78 6.432 28.162 1.303 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.469 29.990 0.000 1.00 0.00 N ATOM 0 H ASN A 78 9.737 29.737 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 78 9.255 28.725 1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.040 28.686 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.843 27.144 -0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.713 30.432 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.890 30.472 -0.794 1.00 0.00 H new ATOM 1197 N GLU A 79 9.429 26.000 0.658 1.00 0.00 N ATOM 1198 CA GLU A 79 10.010 24.666 0.748 1.00 0.00 C ATOM 1199 C GLU A 79 9.047 23.622 0.194 1.00 0.00 C ATOM 1200 O GLU A 79 7.967 23.407 0.743 1.00 0.00 O ATOM 1201 CB GLU A 79 10.361 24.336 2.200 1.00 0.00 C ATOM 1202 CG GLU A 79 11.359 25.302 2.819 1.00 0.00 C ATOM 1203 CD GLU A 79 12.761 24.729 2.885 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.994 23.825 3.715 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.625 25.184 2.108 1.00 0.00 O ATOM 0 H GLU A 79 8.453 26.054 0.949 1.00 0.00 H new ATOM 0 HA GLU A 79 10.922 24.649 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.448 24.339 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.769 23.326 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.374 26.224 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.030 25.564 3.825 1.00 0.00 H new ATOM 1212 N VAL A 80 9.443 22.980 -0.899 1.00 0.00 N ATOM 1213 CA VAL A 80 8.615 21.962 -1.528 1.00 0.00 C ATOM 1214 C VAL A 80 8.855 20.591 -0.910 1.00 0.00 C ATOM 1215 O VAL A 80 7.940 19.979 -0.360 1.00 0.00 O ATOM 1216 CB VAL A 80 8.883 21.889 -3.034 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.077 20.771 -3.677 1.00 0.00 C ATOM 1218 CG2 VAL A 80 8.587 23.229 -3.691 1.00 0.00 C ATOM 0 H VAL A 80 10.334 23.148 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 80 7.577 22.248 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 80 9.938 21.662 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.286 20.741 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.353 19.818 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.014 20.952 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.782 23.161 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.541 23.491 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.225 23.997 -3.254 1.00 0.00 H new ATOM 1228 N VAL A 81 10.097 20.123 -1.007 1.00 0.00 N ATOM 1229 CA VAL A 81 10.494 18.828 -0.467 1.00 0.00 C ATOM 1230 C VAL A 81 9.374 17.793 -0.588 1.00 0.00 C ATOM 1231 O VAL A 81 8.561 17.630 0.322 1.00 0.00 O ATOM 1232 CB VAL A 81 10.941 18.970 0.998 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.874 19.670 1.824 1.00 0.00 C ATOM 1234 CG2 VAL A 81 11.300 17.617 1.594 1.00 0.00 C ATOM 0 H VAL A 81 10.855 20.631 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 81 11.336 18.470 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 81 11.838 19.588 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.213 19.759 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.691 20.664 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.952 19.090 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.612 17.747 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.430 16.961 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.115 17.172 1.023 1.00 0.00 H new ATOM 1244 N PRO A 82 9.318 17.081 -1.728 1.00 0.00 N ATOM 1245 CA PRO A 82 8.296 16.064 -1.982 1.00 0.00 C ATOM 1246 C PRO A 82 8.022 15.185 -0.765 1.00 0.00 C ATOM 1247 O PRO A 82 8.941 14.809 -0.039 1.00 0.00 O ATOM 1248 CB PRO A 82 8.909 15.241 -3.112 1.00 0.00 C ATOM 1249 CG PRO A 82 9.739 16.216 -3.873 1.00 0.00 C ATOM 1250 CD PRO A 82 10.249 17.218 -2.867 1.00 0.00 C ATOM 0 HA PRO A 82 7.329 16.506 -2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.514 14.422 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.139 14.797 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.566 15.714 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.149 16.708 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.276 17.001 -2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.240 18.230 -3.271 1.00 0.00 H new ATOM 1258 N LYS A 83 6.749 14.866 -0.554 1.00 0.00 N ATOM 1259 CA LYS A 83 6.345 14.031 0.573 1.00 0.00 C ATOM 1260 C LYS A 83 6.267 12.565 0.167 1.00 0.00 C ATOM 1261 O LYS A 83 6.250 12.234 -1.018 1.00 0.00 O ATOM 1262 CB LYS A 83 4.994 14.495 1.121 1.00 0.00 C ATOM 1263 CG LYS A 83 5.063 15.814 1.872 1.00 0.00 C ATOM 1264 CD LYS A 83 5.438 15.607 3.330 1.00 0.00 C ATOM 1265 CE LYS A 83 5.511 16.926 4.081 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.214 16.786 5.386 1.00 0.00 N ATOM 0 H LYS A 83 5.979 15.173 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 83 7.099 14.131 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.290 14.594 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.598 13.728 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.795 16.467 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.099 16.319 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.704 14.957 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.401 15.099 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.028 17.664 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.502 17.303 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.242 17.708 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.707 16.101 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.185 16.451 5.223 1.00 0.00 H new ATOM 1280 N PRO A 84 6.237 11.666 1.161 1.00 0.00 N ATOM 1281 CA PRO A 84 6.183 10.222 0.944 1.00 0.00 C ATOM 1282 C PRO A 84 4.765 9.730 0.671 1.00 0.00 C ATOM 1283 O PRO A 84 3.902 9.774 1.546 1.00 0.00 O ATOM 1284 CB PRO A 84 6.711 9.648 2.275 1.00 0.00 C ATOM 1285 CG PRO A 84 7.098 10.837 3.102 1.00 0.00 C ATOM 1286 CD PRO A 84 6.276 11.972 2.588 1.00 0.00 C ATOM 0 HA PRO A 84 6.760 9.914 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.947 9.054 2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.565 8.992 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.902 10.659 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.163 11.050 3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.281 11.994 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.737 12.939 2.790 1.00 0.00 H new ATOM 1311 N ARG A 86 1.712 6.980 -0.291 1.00 0.00 N ATOM 1312 CA ARG A 86 1.347 5.666 0.226 1.00 0.00 C ATOM 1313 C ARG A 86 0.032 5.193 -0.383 1.00 0.00 C ATOM 1314 O ARG A 86 -0.959 5.923 -0.387 1.00 0.00 O ATOM 1315 CB ARG A 86 1.228 5.707 1.752 1.00 0.00 C ATOM 1316 CG ARG A 86 2.300 6.546 2.427 1.00 0.00 C ATOM 1317 CD ARG A 86 2.284 6.365 3.936 1.00 0.00 C ATOM 1318 NE ARG A 86 3.178 7.302 4.611 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.535 7.197 5.889 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.075 6.198 6.633 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.354 8.092 6.424 1.00 0.00 N ATOM 0 HA ARG A 86 2.133 4.963 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.248 6.102 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.279 4.689 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.279 6.269 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.146 7.598 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.268 6.503 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.577 5.344 4.181 1.00 0.00 H new ATOM 0 HE ARG A 86 3.551 8.083 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.445 5.507 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.351 6.122 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.710 8.861 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.628 8.012 7.403 1.00 0.00 H new ATOM 1335 N HIS A 87 0.026 3.967 -0.898 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.173 3.403 -1.507 1.00 0.00 C ATOM 1337 C HIS A 87 -1.938 2.556 -0.498 1.00 0.00 C ATOM 1338 O HIS A 87 -1.470 1.497 -0.084 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.805 2.556 -2.729 1.00 0.00 C ATOM 1340 CG HIS A 87 0.371 3.081 -3.493 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.252 3.961 -4.548 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.697 2.850 -3.347 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.454 4.247 -5.018 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.347 3.585 -4.306 1.00 0.00 N ATOM 0 H HIS A 87 0.836 3.347 -0.906 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.811 4.226 -1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.590 1.538 -2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.666 2.503 -3.396 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.158 2.207 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.669 4.909 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.357 3.615 -4.446 1.00 0.00 H new ATOM 1353 N MET A 88 -3.113 3.031 -0.100 1.00 0.00 N ATOM 1354 CA MET A 88 -3.938 2.317 0.869 1.00 0.00 C ATOM 1355 C MET A 88 -5.176 1.727 0.205 1.00 0.00 C ATOM 1356 O MET A 88 -5.855 2.397 -0.573 1.00 0.00 O ATOM 1357 CB MET A 88 -4.351 3.254 2.006 1.00 0.00 C ATOM 1358 CG MET A 88 -5.181 2.576 3.083 1.00 0.00 C ATOM 1359 SD MET A 88 -6.258 3.727 3.958 1.00 0.00 S ATOM 1360 CE MET A 88 -6.516 2.848 5.497 1.00 0.00 C ATOM 0 H MET A 88 -3.516 3.907 -0.433 1.00 0.00 H new ATOM 0 HA MET A 88 -3.346 1.498 1.278 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.455 3.676 2.461 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.920 4.086 1.591 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.787 1.791 2.629 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.516 2.092 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.482 3.127 5.918 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.499 1.774 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.725 3.107 6.201 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.467 0.471 0.524 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.627 -0.209 -0.039 1.00 0.00 C ATOM 1372 C PHE A 89 -7.388 -0.967 1.044 1.00 0.00 C ATOM 1373 O PHE A 89 -6.859 -1.896 1.653 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.208 -1.174 -1.148 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.024 -0.707 -1.946 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.756 -0.712 -1.391 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.181 -0.269 -3.249 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.664 -0.286 -2.120 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.091 0.157 -3.986 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.831 0.150 -3.420 1.00 0.00 C ATOM 0 H PHE A 89 -4.916 -0.096 1.169 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.283 0.551 -0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.976 -2.142 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.051 -1.326 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.619 -1.053 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.165 -0.260 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.680 -0.294 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.225 0.495 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.979 0.485 -3.992 1.00 0.00 H new ATOM 1390 N SER A 90 -8.633 -0.564 1.280 1.00 0.00 N ATOM 1391 CA SER A 90 -9.464 -1.209 2.290 1.00 0.00 C ATOM 1392 C SER A 90 -10.192 -2.412 1.706 1.00 0.00 C ATOM 1393 O SER A 90 -11.048 -2.267 0.833 1.00 0.00 O ATOM 1394 CB SER A 90 -10.484 -0.217 2.848 1.00 0.00 C ATOM 1395 OG SER A 90 -10.008 1.115 2.751 1.00 0.00 O ATOM 0 H SER A 90 -9.087 0.204 0.787 1.00 0.00 H new ATOM 0 HA SER A 90 -8.813 -1.550 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.423 -0.311 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.695 -0.456 3.890 1.00 0.00 H new ATOM 0 HG SER A 90 -10.680 1.730 3.113 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.853 -3.597 2.193 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.482 -4.821 1.714 1.00 0.00 C ATOM 1403 C PHE A 91 -11.706 -5.174 2.552 1.00 0.00 C ATOM 1404 O PHE A 91 -11.705 -5.009 3.770 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.477 -5.971 1.735 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.317 -5.752 0.810 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.419 -4.724 1.039 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.129 -6.568 -0.291 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.354 -4.514 0.187 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.065 -6.365 -1.147 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.176 -5.336 -0.909 1.00 0.00 C ATOM 0 H PHE A 91 -9.148 -3.738 2.917 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.812 -4.655 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.105 -6.102 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.985 -6.895 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.553 -4.079 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.823 -7.373 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.661 -3.708 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.928 -7.011 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.344 -5.174 -1.578 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.751 -5.657 1.886 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.986 -6.034 2.566 1.00 0.00 C ATOM 1423 C ASN A 92 -14.019 -7.535 2.835 1.00 0.00 C ATOM 1424 O ASN A 92 -15.064 -8.176 2.718 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.198 -5.627 1.726 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.352 -5.131 2.576 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -17.046 -5.917 3.220 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.560 -3.819 2.583 1.00 0.00 N ATOM 0 H ASN A 92 -12.767 -5.797 0.876 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.023 -5.510 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.905 -4.845 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.528 -6.480 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.320 -3.426 3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.959 -3.204 2.034 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.866 -8.089 3.193 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.749 -9.514 3.475 1.00 0.00 C ATOM 1437 C ASN A 93 -11.311 -9.874 3.821 1.00 0.00 C ATOM 1438 O ASN A 93 -10.412 -9.753 2.988 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.221 -10.338 2.274 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.451 -11.166 2.581 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.126 -10.949 3.588 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.746 -12.125 1.712 1.00 0.00 N ATOM 0 H ASN A 93 -11.995 -7.569 3.295 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.383 -9.746 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.437 -9.668 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.415 -10.997 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.561 -12.719 1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.158 -12.268 0.891 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.101 -10.325 5.052 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.770 -10.712 5.503 1.00 0.00 C ATOM 1451 C ARG A 94 -9.192 -11.798 4.604 1.00 0.00 C ATOM 1452 O ARG A 94 -7.984 -12.023 4.591 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.818 -11.200 6.954 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.847 -10.478 7.873 1.00 0.00 C ATOM 1455 CD ARG A 94 -7.408 -10.889 7.603 1.00 0.00 C ATOM 1456 NE ARG A 94 -6.969 -11.966 8.488 1.00 0.00 N ATOM 1457 CZ ARG A 94 -7.046 -13.261 8.185 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -7.545 -13.654 7.018 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -6.621 -14.169 9.053 1.00 0.00 N ATOM 0 H ARG A 94 -11.833 -10.432 5.754 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.124 -9.836 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.830 -11.073 7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.600 -12.268 6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.950 -9.401 7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.099 -10.694 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.312 -11.210 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.755 -10.026 7.731 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.579 -11.710 9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.873 -12.962 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.600 -14.648 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.236 -13.875 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.679 -15.161 8.823 1.00 0.00 H new ATOM 1473 N THR A 95 -10.057 -12.463 3.847 1.00 0.00 N ATOM 1474 CA THR A 95 -9.620 -13.513 2.943 1.00 0.00 C ATOM 1475 C THR A 95 -8.889 -12.909 1.754 1.00 0.00 C ATOM 1476 O THR A 95 -7.849 -13.407 1.326 1.00 0.00 O ATOM 1477 CB THR A 95 -10.824 -14.337 2.489 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.913 -15.543 3.225 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.808 -14.697 1.021 1.00 0.00 C ATOM 0 H THR A 95 -11.063 -12.292 3.843 1.00 0.00 H new ATOM 0 HA THR A 95 -8.927 -14.174 3.463 1.00 0.00 H new ATOM 0 HB THR A 95 -11.685 -13.693 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.691 -16.055 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.696 -15.281 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.800 -13.786 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.917 -15.284 0.800 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.437 -11.817 1.241 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.833 -11.121 0.114 1.00 0.00 C ATOM 1489 C VAL A 96 -7.506 -10.532 0.543 1.00 0.00 C ATOM 1490 O VAL A 96 -6.470 -10.768 -0.080 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.729 -9.982 -0.422 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.606 -9.866 -1.932 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.177 -10.179 -0.006 1.00 0.00 C ATOM 0 H VAL A 96 -10.298 -11.394 1.587 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.700 -11.850 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.383 -9.047 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.245 -9.058 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.570 -9.653 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.914 -10.803 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.783 -9.362 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.544 -11.125 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.245 -10.191 1.082 1.00 0.00 H new ATOM 1503 N MET A 97 -7.547 -9.770 1.629 1.00 0.00 N ATOM 1504 CA MET A 97 -6.346 -9.150 2.166 1.00 0.00 C ATOM 1505 C MET A 97 -5.335 -10.217 2.572 1.00 0.00 C ATOM 1506 O MET A 97 -4.129 -10.041 2.395 1.00 0.00 O ATOM 1507 CB MET A 97 -6.697 -8.251 3.355 1.00 0.00 C ATOM 1508 CG MET A 97 -6.889 -8.991 4.669 1.00 0.00 C ATOM 1509 SD MET A 97 -5.428 -8.928 5.718 1.00 0.00 S ATOM 1510 CE MET A 97 -5.989 -7.790 6.979 1.00 0.00 C ATOM 0 H MET A 97 -8.398 -9.568 2.153 1.00 0.00 H new ATOM 0 HA MET A 97 -5.895 -8.530 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.906 -7.511 3.481 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.611 -7.704 3.124 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.735 -8.560 5.204 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.139 -10.032 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.512 -8.035 7.928 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.726 -6.772 6.693 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.071 -7.869 7.085 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.832 -11.331 3.103 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.961 -12.426 3.514 1.00 0.00 C ATOM 1522 C ASP A 98 -4.315 -13.069 2.295 1.00 0.00 C ATOM 1523 O ASP A 98 -3.179 -13.538 2.351 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.742 -13.474 4.312 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.886 -14.661 4.711 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.834 -14.446 5.350 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.267 -15.804 4.383 1.00 0.00 O ATOM 0 H ASP A 98 -6.826 -11.498 3.258 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.180 -12.019 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.154 -13.010 5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.586 -13.823 3.717 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.049 -13.072 1.190 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.554 -13.639 -0.058 1.00 0.00 C ATOM 1534 C ASN A 99 -3.660 -12.635 -0.775 1.00 0.00 C ATOM 1535 O ASN A 99 -2.693 -13.006 -1.440 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.721 -14.041 -0.962 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.329 -15.371 -0.564 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.618 -16.311 -0.207 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.653 -15.459 -0.623 1.00 0.00 N ATOM 0 H ASN A 99 -5.992 -12.687 1.132 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.969 -14.529 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.489 -13.268 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.375 -14.097 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.118 -16.330 -0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.205 -14.656 -0.924 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.990 -11.356 -0.623 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.223 -10.284 -1.241 1.00 0.00 C ATOM 1548 C ILE A 100 -1.966 -9.992 -0.436 1.00 0.00 C ATOM 1549 O ILE A 100 -0.848 -10.115 -0.938 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.063 -8.995 -1.346 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.199 -9.191 -2.355 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.188 -7.805 -1.725 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.821 -8.846 -3.778 1.00 0.00 C ATOM 0 H ILE A 100 -4.788 -11.037 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.946 -10.614 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.501 -8.782 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.529 -10.229 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.048 -8.576 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.803 -6.908 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.420 -7.662 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.714 -7.994 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.677 -9.011 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.520 -7.800 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.993 -9.479 -4.098 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.161 -9.610 0.820 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.051 -9.303 1.711 1.00 0.00 C ATOM 1567 C LYS A 101 -0.008 -10.415 1.668 1.00 0.00 C ATOM 1568 O LYS A 101 1.180 -10.175 1.871 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.560 -9.134 3.142 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.509 -8.599 4.101 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.459 -9.413 5.384 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.647 -9.111 6.284 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.264 -9.087 7.722 1.00 0.00 N ATOM 0 H LYS A 101 -3.082 -9.505 1.245 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.590 -8.373 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.414 -8.457 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.918 -10.096 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.468 -8.618 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.728 -7.558 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.446 -10.476 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.467 -9.197 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.076 -8.148 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.421 -9.862 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.102 -8.878 8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.878 -10.014 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.544 -8.353 7.877 1.00 0.00 H new ATOM 1587 N MET A 102 -0.469 -11.635 1.402 1.00 0.00 N ATOM 1588 CA MET A 102 0.413 -12.789 1.333 1.00 0.00 C ATOM 1589 C MET A 102 1.138 -12.832 -0.002 1.00 0.00 C ATOM 1590 O MET A 102 2.278 -13.287 -0.084 1.00 0.00 O ATOM 1591 CB MET A 102 -0.380 -14.080 1.538 1.00 0.00 C ATOM 1592 CG MET A 102 -0.523 -14.481 2.997 1.00 0.00 C ATOM 1593 SD MET A 102 -1.035 -16.198 3.198 1.00 0.00 S ATOM 1594 CE MET A 102 -2.563 -16.209 2.264 1.00 0.00 C ATOM 0 H MET A 102 -1.452 -11.846 1.231 1.00 0.00 H new ATOM 0 HA MET A 102 1.153 -12.699 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.373 -13.960 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.110 -14.888 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.428 -14.327 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.252 -13.830 3.479 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.927 -17.232 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.308 -15.602 2.778 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.385 -15.799 1.270 1.00 0.00 H new ATOM 1604 N THR A 103 0.478 -12.347 -1.051 1.00 0.00 N ATOM 1605 CA THR A 103 1.078 -12.332 -2.367 1.00 0.00 C ATOM 1606 C THR A 103 1.908 -11.066 -2.554 1.00 0.00 C ATOM 1607 O THR A 103 2.815 -11.021 -3.381 1.00 0.00 O ATOM 1608 CB THR A 103 -0.011 -12.442 -3.441 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.174 -13.789 -3.852 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.266 -11.620 -4.678 1.00 0.00 C ATOM 0 H THR A 103 -0.466 -11.963 -1.008 1.00 0.00 H new ATOM 0 HA THR A 103 1.744 -13.189 -2.467 1.00 0.00 H new ATOM 0 HB THR A 103 -0.913 -12.055 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.874 -13.840 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.548 -11.750 -5.391 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.345 -10.568 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.201 -11.949 -5.132 1.00 0.00 H new ATOM 1618 N LEU A 104 1.586 -10.039 -1.779 1.00 0.00 N ATOM 1619 CA LEU A 104 2.298 -8.775 -1.855 1.00 0.00 C ATOM 1620 C LEU A 104 3.685 -8.896 -1.231 1.00 0.00 C ATOM 1621 O LEU A 104 4.667 -8.414 -1.793 1.00 0.00 O ATOM 1622 CB LEU A 104 1.496 -7.682 -1.145 1.00 0.00 C ATOM 1623 CG LEU A 104 0.516 -6.913 -2.032 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.492 -6.154 -1.185 1.00 0.00 C ATOM 1625 CD2 LEU A 104 1.270 -5.954 -2.932 1.00 0.00 C ATOM 0 H LEU A 104 0.834 -10.059 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 104 2.417 -8.508 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.939 -8.136 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.194 -6.972 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.025 -7.629 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.180 -5.614 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.052 -6.857 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.032 -5.446 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.563 -5.412 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.830 -5.246 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.960 -6.514 -3.563 1.00 0.00 H new ATOM 1637 N GLN A 105 3.757 -9.534 -0.065 1.00 0.00 N ATOM 1638 CA GLN A 105 5.028 -9.702 0.635 1.00 0.00 C ATOM 1639 C GLN A 105 5.847 -10.861 0.068 1.00 0.00 C ATOM 1640 O GLN A 105 7.077 -10.800 0.057 1.00 0.00 O ATOM 1641 CB GLN A 105 4.804 -9.906 2.137 1.00 0.00 C ATOM 1642 CG GLN A 105 3.872 -11.058 2.478 1.00 0.00 C ATOM 1643 CD GLN A 105 3.130 -10.832 3.782 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.084 -11.709 4.644 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.543 -9.648 3.933 1.00 0.00 N ATOM 0 H GLN A 105 2.954 -9.942 0.413 1.00 0.00 H new ATOM 0 HA GLN A 105 5.596 -8.784 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.768 -10.079 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.398 -8.987 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.152 -11.191 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.448 -11.981 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.606 -8.949 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.030 -9.439 4.789 1.00 0.00 H new ATOM 1654 N GLN A 106 5.181 -11.914 -0.405 1.00 0.00 N ATOM 1655 CA GLN A 106 5.898 -13.058 -0.966 1.00 0.00 C ATOM 1656 C GLN A 106 6.822 -12.599 -2.087 1.00 0.00 C ATOM 1657 O GLN A 106 7.928 -13.110 -2.253 1.00 0.00 O ATOM 1658 CB GLN A 106 4.921 -14.117 -1.480 1.00 0.00 C ATOM 1659 CG GLN A 106 4.214 -13.733 -2.766 1.00 0.00 C ATOM 1660 CD GLN A 106 4.947 -14.211 -4.004 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.899 -13.579 -4.461 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.501 -15.334 -4.554 1.00 0.00 N ATOM 0 H GLN A 106 4.165 -11.999 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 106 6.498 -13.508 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.463 -15.049 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.174 -14.311 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.208 -14.151 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.108 -12.649 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.708 -15.825 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.951 -15.706 -5.390 1.00 0.00 H new ATOM 1671 N ILE A 107 6.351 -11.615 -2.838 1.00 0.00 N ATOM 1672 CA ILE A 107 7.116 -11.047 -3.941 1.00 0.00 C ATOM 1673 C ILE A 107 8.213 -10.132 -3.412 1.00 0.00 C ATOM 1674 O ILE A 107 9.382 -10.286 -3.760 1.00 0.00 O ATOM 1675 CB ILE A 107 6.204 -10.263 -4.899 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.975 -11.096 -5.268 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.971 -9.872 -6.144 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.824 -10.271 -5.804 1.00 0.00 C ATOM 0 H ILE A 107 5.434 -11.189 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 107 7.571 -11.871 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 107 5.866 -9.356 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.259 -11.837 -6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.640 -11.644 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.316 -9.317 -6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.820 -9.247 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.330 -10.770 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.987 -10.927 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.513 -9.548 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.142 -9.744 -6.703 1.00 0.00 H new ATOM 1690 N ILE A 108 7.833 -9.190 -2.556 1.00 0.00 N ATOM 1691 CA ILE A 108 8.790 -8.259 -1.959 1.00 0.00 C ATOM 1692 C ILE A 108 10.046 -8.981 -1.505 1.00 0.00 C ATOM 1693 O ILE A 108 11.156 -8.640 -1.903 1.00 0.00 O ATOM 1694 CB ILE A 108 8.190 -7.524 -0.745 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.843 -6.890 -1.123 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.177 -6.489 -0.212 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.740 -5.405 -0.844 1.00 0.00 C ATOM 0 H ILE A 108 6.868 -9.049 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 108 9.037 -7.534 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 108 8.004 -8.241 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.663 -7.059 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.050 -7.404 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.740 -5.977 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.097 -6.987 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.400 -5.762 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.755 -5.046 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.884 -5.224 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.506 -4.875 -1.409 1.00 0.00 H new ATOM 1709 N SER A 109 9.848 -9.984 -0.668 1.00 0.00 N ATOM 1710 CA SER A 109 10.951 -10.781 -0.137 1.00 0.00 C ATOM 1711 C SER A 109 11.915 -11.196 -1.243 1.00 0.00 C ATOM 1712 O SER A 109 13.105 -11.400 -1.001 1.00 0.00 O ATOM 1713 CB SER A 109 10.415 -12.019 0.582 1.00 0.00 C ATOM 1714 OG SER A 109 9.108 -11.795 1.082 1.00 0.00 O ATOM 0 H SER A 109 8.927 -10.271 -0.336 1.00 0.00 H new ATOM 0 HA SER A 109 11.497 -10.163 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.405 -12.866 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.081 -12.283 1.403 1.00 0.00 H new ATOM 0 HG SER A 109 8.459 -11.888 0.354 1.00 0.00 H new ATOM 1720 N ARG A 110 11.393 -11.318 -2.455 1.00 0.00 N ATOM 1721 CA ARG A 110 12.205 -11.703 -3.601 1.00 0.00 C ATOM 1722 C ARG A 110 13.114 -10.560 -4.040 1.00 0.00 C ATOM 1723 O ARG A 110 14.159 -10.789 -4.643 1.00 0.00 O ATOM 1724 CB ARG A 110 11.317 -12.155 -4.764 1.00 0.00 C ATOM 1725 CG ARG A 110 11.479 -13.625 -5.110 1.00 0.00 C ATOM 1726 CD ARG A 110 10.989 -13.925 -6.516 1.00 0.00 C ATOM 1727 NE ARG A 110 11.820 -14.923 -7.185 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.634 -15.320 -8.441 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.651 -14.807 -9.169 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.436 -16.233 -8.973 1.00 0.00 N ATOM 0 H ARG A 110 10.409 -11.156 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 110 12.835 -12.539 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.274 -11.961 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.549 -11.555 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.528 -13.907 -5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 110 10.925 -14.231 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.960 -14.281 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.984 -13.006 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 110 12.588 -15.340 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.032 -14.103 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.514 -15.116 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.195 -16.630 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.294 -16.538 -9.936 1.00 0.00 H new ATOM 1744 N TYR A 111 12.717 -9.330 -3.728 1.00 0.00 N ATOM 1745 CA TYR A 111 13.510 -8.161 -4.091 1.00 0.00 C ATOM 1746 C TYR A 111 14.722 -8.071 -3.180 1.00 0.00 C ATOM 1747 O TYR A 111 15.814 -7.694 -3.606 1.00 0.00 O ATOM 1748 CB TYR A 111 12.708 -6.856 -3.978 1.00 0.00 C ATOM 1749 CG TYR A 111 11.242 -6.932 -4.370 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.696 -8.043 -5.009 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.397 -5.862 -4.091 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.361 -8.081 -5.351 1.00 0.00 C ATOM 1753 CE2 TYR A 111 9.060 -5.894 -4.433 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.546 -7.005 -5.061 1.00 0.00 C ATOM 1755 OH TYR A 111 7.215 -7.038 -5.401 1.00 0.00 O ATOM 0 H TYR A 111 11.854 -9.118 -3.227 1.00 0.00 H new ATOM 0 HA TYR A 111 13.812 -8.282 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.769 -6.505 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.190 -6.103 -4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.328 -8.888 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.796 -4.988 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.954 -8.951 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.421 -5.052 -4.209 1.00 0.00 H new ATOM 0 HH TYR A 111 6.678 -7.220 -4.602 1.00 0.00 H new ATOM 1765 N LYS A 112 14.516 -8.439 -1.921 1.00 0.00 N ATOM 1766 CA LYS A 112 15.582 -8.424 -0.935 1.00 0.00 C ATOM 1767 C LYS A 112 16.400 -9.674 -1.119 1.00 0.00 C ATOM 1768 O LYS A 112 17.630 -9.652 -1.127 1.00 0.00 O ATOM 1769 CB LYS A 112 15.052 -8.359 0.505 1.00 0.00 C ATOM 1770 CG LYS A 112 13.563 -8.583 0.616 1.00 0.00 C ATOM 1771 CD LYS A 112 12.811 -7.443 -0.027 1.00 0.00 C ATOM 1772 CE LYS A 112 12.911 -6.183 0.798 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.746 -5.281 0.589 1.00 0.00 N ATOM 0 H LYS A 112 13.615 -8.752 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 112 16.183 -7.528 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.569 -9.107 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.296 -7.385 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.293 -9.523 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.279 -8.669 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.209 -7.259 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.763 -7.718 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.980 -6.446 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.829 -5.654 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.035 -4.296 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.401 -5.380 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.986 -5.536 1.252 1.00 0.00 H new ATOM 1787 N ASP A 113 15.677 -10.764 -1.304 1.00 0.00 N ATOM 1788 CA ASP A 113 16.294 -12.056 -1.539 1.00 0.00 C ATOM 1789 C ASP A 113 17.112 -11.987 -2.817 1.00 0.00 C ATOM 1790 O ASP A 113 18.143 -12.645 -2.954 1.00 0.00 O ATOM 1791 CB ASP A 113 15.234 -13.155 -1.645 1.00 0.00 C ATOM 1792 CG ASP A 113 15.844 -14.526 -1.864 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.489 -15.045 -0.929 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.675 -15.081 -2.970 1.00 0.00 O ATOM 0 H ASP A 113 14.657 -10.779 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 113 16.944 -12.300 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.635 -13.168 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.557 -12.925 -2.468 1.00 0.00 H new ATOM 1799 N ALA A 114 16.646 -11.155 -3.745 1.00 0.00 N ATOM 1800 CA ALA A 114 17.333 -10.961 -5.007 1.00 0.00 C ATOM 1801 C ALA A 114 18.296 -9.782 -4.919 1.00 0.00 C ATOM 1802 O ALA A 114 19.218 -9.659 -5.727 1.00 0.00 O ATOM 1803 CB ALA A 114 16.339 -10.751 -6.139 1.00 0.00 C ATOM 0 H ALA A 114 15.793 -10.606 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 114 17.908 -11.862 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.879 -10.608 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.693 -11.625 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.732 -9.870 -5.932 1.00 0.00 H new