USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 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 47 THR OG1 : rot -84:sc= 0.312 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.921 X(o=-0.61,f=-0.99) USER MOD Set 2.1: A 56 CYS SG : rot -98:sc= 0.031 USER MOD Set 2.2: A 80 SER OG : rot 74:sc= 1.24 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -2.84! C(o=-3.4!,f=-3.3!) USER MOD Set 3.2: A 30 TYR OH : rot 28:sc= -0.558 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0924 (180deg=0) USER MOD Single : A 2 SER OG : rot 4:sc= 0.874 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 9:sc= 0.11! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= -0.0137 (180deg=-0.154) USER MOD Single : A 11 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-4.5!) USER MOD Single : A 13 ASN : amide:sc= -0.868! C(o=-0.87!,f=-8.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 31:sc= 0.327 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.955 X(o=-0.96,f=-1.2!) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.673 (180deg=-3.76!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -1.16 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.373 K(o=0.37,f=-0.25) USER MOD Single : A 75 GLN : amide:sc= -0.0285 K(o=-0.029,f=-1.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 95:sc= 1.02 USER MOD Single : A 85 ASN : amide:sc= -1.65! C(o=-1.7!,f=-5.2!) USER MOD Single : A 95 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.26) USER MOD Single : A 97 SER OG : rot -112:sc= -0.863 USER MOD Single : A 102 LYS NZ :NH3+ 148:sc= -0.38 (180deg=-1.21!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.768 -14.935 -8.207 1.00 0.00 N ATOM 2 CA GLY A 1 20.009 -13.670 -7.538 1.00 0.00 C ATOM 3 C GLY A 1 19.655 -13.716 -6.065 1.00 0.00 C ATOM 4 O GLY A 1 19.032 -14.669 -5.599 1.00 0.00 O ATOM 0 H1 GLY A 1 20.670 -15.325 -8.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.332 -15.603 -7.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.129 -14.785 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.059 -13.399 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.425 -12.888 -8.024 1.00 0.00 H new ATOM 8 N SER A 2 20.054 -12.683 -5.329 1.00 0.00 N ATOM 9 CA SER A 2 19.780 -12.612 -3.899 1.00 0.00 C ATOM 10 C SER A 2 19.234 -11.239 -3.518 1.00 0.00 C ATOM 11 O SER A 2 19.926 -10.228 -3.641 1.00 0.00 O ATOM 12 CB SER A 2 21.050 -12.908 -3.099 1.00 0.00 C ATOM 13 OG SER A 2 21.945 -11.810 -3.138 1.00 0.00 O ATOM 0 H SER A 2 20.568 -11.884 -5.700 1.00 0.00 H new ATOM 0 HA SER A 2 19.026 -13.363 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.788 -13.131 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.539 -13.795 -3.502 1.00 0.00 H new ATOM 0 HG SER A 2 21.531 -11.068 -3.626 1.00 0.00 H new ATOM 19 N SER A 3 17.989 -11.212 -3.055 1.00 0.00 N ATOM 20 CA SER A 3 17.347 -9.964 -2.659 1.00 0.00 C ATOM 21 C SER A 3 17.177 -9.897 -1.145 1.00 0.00 C ATOM 22 O SER A 3 16.961 -10.914 -0.488 1.00 0.00 O ATOM 23 CB SER A 3 15.986 -9.826 -3.344 1.00 0.00 C ATOM 24 OG SER A 3 15.225 -8.783 -2.761 1.00 0.00 O ATOM 0 H SER A 3 17.404 -12.040 -2.945 1.00 0.00 H new ATOM 0 HA SER A 3 17.988 -9.139 -2.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.129 -9.626 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.440 -10.766 -3.267 1.00 0.00 H new ATOM 0 HG SER A 3 14.361 -8.714 -3.218 1.00 0.00 H new ATOM 30 N GLY A 4 17.276 -8.690 -0.597 1.00 0.00 N ATOM 31 CA GLY A 4 17.131 -8.511 0.836 1.00 0.00 C ATOM 32 C GLY A 4 16.491 -7.184 1.193 1.00 0.00 C ATOM 33 O GLY A 4 16.963 -6.479 2.084 1.00 0.00 O ATOM 0 H GLY A 4 17.454 -7.833 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.527 -9.323 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.111 -8.577 1.308 1.00 0.00 H new ATOM 37 N SER A 5 15.413 -6.841 0.494 1.00 0.00 N ATOM 38 CA SER A 5 14.711 -5.587 0.738 1.00 0.00 C ATOM 39 C SER A 5 14.726 -5.236 2.223 1.00 0.00 C ATOM 40 O SER A 5 14.390 -6.063 3.071 1.00 0.00 O ATOM 41 CB SER A 5 13.268 -5.680 0.239 1.00 0.00 C ATOM 42 OG SER A 5 12.461 -6.411 1.146 1.00 0.00 O ATOM 0 H SER A 5 15.007 -7.414 -0.246 1.00 0.00 H new ATOM 0 HA SER A 5 15.227 -4.798 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.859 -4.678 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.248 -6.161 -0.739 1.00 0.00 H new ATOM 0 HG SER A 5 12.966 -6.582 1.968 1.00 0.00 H new ATOM 48 N SER A 6 15.118 -4.003 2.529 1.00 0.00 N ATOM 49 CA SER A 6 15.181 -3.543 3.911 1.00 0.00 C ATOM 50 C SER A 6 13.831 -2.995 4.364 1.00 0.00 C ATOM 51 O SER A 6 13.320 -2.027 3.801 1.00 0.00 O ATOM 52 CB SER A 6 16.257 -2.466 4.064 1.00 0.00 C ATOM 53 OG SER A 6 17.540 -2.979 3.748 1.00 0.00 O ATOM 0 H SER A 6 15.396 -3.305 1.839 1.00 0.00 H new ATOM 0 HA SER A 6 15.437 -4.396 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.028 -1.623 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.255 -2.088 5.086 1.00 0.00 H new ATOM 0 HG SER A 6 18.210 -2.271 3.852 1.00 0.00 H new ATOM 59 N GLY A 7 13.256 -3.624 5.385 1.00 0.00 N ATOM 60 CA GLY A 7 11.970 -3.187 5.896 1.00 0.00 C ATOM 61 C GLY A 7 11.147 -4.333 6.450 1.00 0.00 C ATOM 62 O GLY A 7 11.680 -5.340 6.916 1.00 0.00 O ATOM 0 H GLY A 7 13.658 -4.428 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.127 -2.445 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.413 -2.696 5.098 1.00 0.00 H new ATOM 66 N PRO A 8 9.814 -4.186 6.403 1.00 0.00 N ATOM 67 CA PRO A 8 8.887 -5.207 6.900 1.00 0.00 C ATOM 68 C PRO A 8 8.878 -6.456 6.027 1.00 0.00 C ATOM 69 O PRO A 8 9.449 -6.468 4.936 1.00 0.00 O ATOM 70 CB PRO A 8 7.527 -4.507 6.846 1.00 0.00 C ATOM 71 CG PRO A 8 7.678 -3.465 5.792 1.00 0.00 C ATOM 72 CD PRO A 8 9.110 -3.012 5.860 1.00 0.00 C ATOM 0 HA PRO A 8 9.162 -5.558 7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.730 -5.208 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.272 -4.063 7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.443 -3.869 4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.997 -2.632 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.491 -2.734 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.226 -2.141 6.504 1.00 0.00 H new ATOM 80 N LYS A 9 8.226 -7.507 6.512 1.00 0.00 N ATOM 81 CA LYS A 9 8.141 -8.763 5.776 1.00 0.00 C ATOM 82 C LYS A 9 7.090 -8.676 4.674 1.00 0.00 C ATOM 83 O LYS A 9 7.184 -9.365 3.658 1.00 0.00 O ATOM 84 CB LYS A 9 7.805 -9.914 6.726 1.00 0.00 C ATOM 85 CG LYS A 9 9.016 -10.481 7.446 1.00 0.00 C ATOM 86 CD LYS A 9 9.301 -9.729 8.736 1.00 0.00 C ATOM 87 CE LYS A 9 10.381 -10.418 9.556 1.00 0.00 C ATOM 88 NZ LYS A 9 9.905 -11.707 10.129 1.00 0.00 N ATOM 0 H LYS A 9 7.748 -7.514 7.413 1.00 0.00 H new ATOM 0 HA LYS A 9 9.111 -8.952 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.084 -9.565 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.322 -10.711 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.848 -11.535 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.887 -10.428 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.613 -8.711 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.387 -9.655 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.253 -10.600 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.701 -9.758 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.578 -12.036 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.971 -11.569 10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.833 -12.418 9.373 1.00 0.00 H new ATOM 102 N ILE A 10 6.090 -7.826 4.881 1.00 0.00 N ATOM 103 CA ILE A 10 5.024 -7.648 3.904 1.00 0.00 C ATOM 104 C ILE A 10 5.212 -6.359 3.112 1.00 0.00 C ATOM 105 O ILE A 10 5.823 -5.405 3.595 1.00 0.00 O ATOM 106 CB ILE A 10 3.639 -7.625 4.579 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.749 -7.061 5.997 1.00 0.00 C ATOM 108 CG2 ILE A 10 3.038 -9.022 4.603 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.284 -8.056 7.003 1.00 0.00 C ATOM 0 H ILE A 10 5.996 -7.250 5.717 1.00 0.00 H new ATOM 0 HA ILE A 10 5.075 -8.499 3.225 1.00 0.00 H new ATOM 0 HB ILE A 10 2.979 -6.978 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.399 -6.186 5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.765 -6.721 6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.060 -8.989 5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.929 -9.389 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.694 -9.691 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.335 -7.588 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.622 -8.921 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.281 -8.377 6.702 1.00 0.00 H new ATOM 121 N HIS A 11 4.683 -6.336 1.893 1.00 0.00 N ATOM 122 CA HIS A 11 4.791 -5.162 1.034 1.00 0.00 C ATOM 123 C HIS A 11 3.632 -5.105 0.043 1.00 0.00 C ATOM 124 O HIS A 11 3.147 -6.138 -0.421 1.00 0.00 O ATOM 125 CB HIS A 11 6.121 -5.176 0.280 1.00 0.00 C ATOM 126 CG HIS A 11 6.095 -6.007 -0.966 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.631 -5.534 -2.175 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.480 -7.285 -1.186 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.731 -6.487 -3.085 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.243 -7.560 -2.510 1.00 0.00 N ATOM 0 H HIS A 11 4.175 -7.117 1.478 1.00 0.00 H new ATOM 0 HA HIS A 11 4.749 -4.275 1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.392 -4.153 0.019 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.901 -5.553 0.942 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.267 -4.596 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.896 -7.963 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.443 -6.403 -4.122 1.00 0.00 H new ATOM 138 N PHE A 12 3.191 -3.893 -0.276 1.00 0.00 N ATOM 139 CA PHE A 12 2.088 -3.701 -1.210 1.00 0.00 C ATOM 140 C PHE A 12 2.578 -3.774 -2.653 1.00 0.00 C ATOM 141 O PHE A 12 3.701 -3.374 -2.959 1.00 0.00 O ATOM 142 CB PHE A 12 1.406 -2.355 -0.958 1.00 0.00 C ATOM 143 CG PHE A 12 0.465 -2.369 0.212 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.771 -2.989 0.117 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.816 -1.763 1.408 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.639 -3.004 1.193 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.048 -1.775 2.487 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.277 -2.396 2.379 1.00 0.00 C ATOM 0 H PHE A 12 3.581 -3.028 0.099 1.00 0.00 H new ATOM 0 HA PHE A 12 1.366 -4.501 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.170 -1.596 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.856 -2.062 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.059 -3.466 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.776 -1.276 1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.599 -3.491 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.238 -1.299 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.954 -2.406 3.221 1.00 0.00 H new ATOM 158 N ASN A 13 1.728 -4.288 -3.536 1.00 0.00 N ATOM 159 CA ASN A 13 2.074 -4.414 -4.947 1.00 0.00 C ATOM 160 C ASN A 13 2.631 -3.102 -5.490 1.00 0.00 C ATOM 161 O ASN A 13 3.406 -3.092 -6.446 1.00 0.00 O ATOM 162 CB ASN A 13 0.848 -4.837 -5.758 1.00 0.00 C ATOM 163 CG ASN A 13 -0.399 -4.069 -5.364 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.538 -3.634 -4.221 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.313 -3.898 -6.312 1.00 0.00 N ATOM 0 H ASN A 13 0.795 -4.624 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 13 2.844 -5.180 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.046 -4.683 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.674 -5.904 -5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.172 -3.389 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.156 -4.276 -7.246 1.00 0.00 H new ATOM 172 N PHE A 14 2.229 -1.995 -4.873 1.00 0.00 N ATOM 173 CA PHE A 14 2.687 -0.676 -5.295 1.00 0.00 C ATOM 174 C PHE A 14 3.192 0.131 -4.103 1.00 0.00 C ATOM 175 O PHE A 14 2.888 -0.185 -2.953 1.00 0.00 O ATOM 176 CB PHE A 14 1.555 0.080 -5.994 1.00 0.00 C ATOM 177 CG PHE A 14 0.192 -0.249 -5.457 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.057 -0.212 -4.094 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.840 -0.596 -6.314 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.311 -0.516 -3.597 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.096 -0.900 -5.822 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.331 -0.859 -4.462 1.00 0.00 C ATOM 0 H PHE A 14 1.588 -1.985 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 14 3.511 -0.811 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.728 1.151 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.581 -0.147 -7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.737 0.057 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.661 -0.629 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.492 -0.485 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.892 -1.169 -6.500 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.311 -1.095 -4.075 1.00 0.00 H new ATOM 192 N GLU A 15 3.967 1.173 -4.387 1.00 0.00 N ATOM 193 CA GLU A 15 4.516 2.024 -3.338 1.00 0.00 C ATOM 194 C GLU A 15 3.556 3.161 -3.002 1.00 0.00 C ATOM 195 O GLU A 15 3.591 3.715 -1.902 1.00 0.00 O ATOM 196 CB GLU A 15 5.868 2.595 -3.770 1.00 0.00 C ATOM 197 CG GLU A 15 6.648 1.679 -4.698 1.00 0.00 C ATOM 198 CD GLU A 15 8.148 1.842 -4.554 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.615 2.072 -3.419 1.00 0.00 O ATOM 200 OE2 GLU A 15 8.856 1.740 -5.578 1.00 0.00 O ATOM 0 H GLU A 15 4.229 1.448 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 15 4.655 1.413 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.707 3.551 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.468 2.796 -2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.378 0.643 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.362 1.884 -5.730 1.00 0.00 H new ATOM 207 N LEU A 16 2.698 3.506 -3.956 1.00 0.00 N ATOM 208 CA LEU A 16 1.728 4.577 -3.763 1.00 0.00 C ATOM 209 C LEU A 16 0.453 4.307 -4.556 1.00 0.00 C ATOM 210 O LEU A 16 0.487 3.665 -5.607 1.00 0.00 O ATOM 211 CB LEU A 16 2.329 5.919 -4.185 1.00 0.00 C ATOM 212 CG LEU A 16 1.331 7.042 -4.468 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.961 8.399 -4.190 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.836 6.967 -5.905 1.00 0.00 C ATOM 0 H LEU A 16 2.655 3.059 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 16 1.474 4.616 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.008 6.253 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.930 5.760 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 16 0.476 6.918 -3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.236 9.186 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.265 8.452 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.834 8.533 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.127 7.774 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.681 7.065 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.345 6.008 -6.071 1.00 0.00 H new ATOM 226 N LEU A 17 -0.670 4.801 -4.047 1.00 0.00 N ATOM 227 CA LEU A 17 -1.957 4.615 -4.708 1.00 0.00 C ATOM 228 C LEU A 17 -2.599 5.959 -5.037 1.00 0.00 C ATOM 229 O LEU A 17 -2.921 6.740 -4.142 1.00 0.00 O ATOM 230 CB LEU A 17 -2.894 3.793 -3.822 1.00 0.00 C ATOM 231 CG LEU A 17 -4.342 3.680 -4.299 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.451 2.682 -5.442 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.253 3.277 -3.149 1.00 0.00 C ATOM 0 H LEU A 17 -0.716 5.334 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.784 4.077 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.484 2.787 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.895 4.231 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.661 4.656 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.489 2.615 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.829 3.013 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.113 1.703 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.280 3.202 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.935 2.312 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.198 4.028 -2.361 1.00 0.00 H new ATOM 245 N ASP A 18 -2.785 6.220 -6.327 1.00 0.00 N ATOM 246 CA ASP A 18 -3.392 7.468 -6.775 1.00 0.00 C ATOM 247 C ASP A 18 -4.807 7.229 -7.293 1.00 0.00 C ATOM 248 O ASP A 18 -4.995 6.712 -8.395 1.00 0.00 O ATOM 249 CB ASP A 18 -2.538 8.113 -7.867 1.00 0.00 C ATOM 250 CG ASP A 18 -2.334 7.197 -9.058 1.00 0.00 C ATOM 251 OD1 ASP A 18 -1.635 6.173 -8.907 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.874 7.504 -10.141 1.00 0.00 O ATOM 0 H ASP A 18 -2.524 5.584 -7.080 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.446 8.143 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.014 9.036 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.568 8.386 -7.452 1.00 0.00 H new ATOM 257 N ILE A 19 -5.797 7.606 -6.491 1.00 0.00 N ATOM 258 CA ILE A 19 -7.194 7.432 -6.869 1.00 0.00 C ATOM 259 C ILE A 19 -7.674 8.584 -7.745 1.00 0.00 C ATOM 260 O ILE A 19 -8.862 8.700 -8.040 1.00 0.00 O ATOM 261 CB ILE A 19 -8.103 7.329 -5.631 1.00 0.00 C ATOM 262 CG1 ILE A 19 -8.216 8.689 -4.939 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.569 6.281 -4.666 1.00 0.00 C ATOM 264 CD1 ILE A 19 -9.193 8.702 -3.785 1.00 0.00 C ATOM 0 H ILE A 19 -5.658 8.034 -5.576 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.255 6.501 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.098 7.023 -5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.232 8.985 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.522 9.436 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.223 6.221 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.536 5.312 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.565 6.559 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.221 9.698 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.187 8.438 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.877 7.980 -3.032 1.00 0.00 H new ATOM 276 N GLY A 20 -6.739 9.435 -8.159 1.00 0.00 N ATOM 277 CA GLY A 20 -7.086 10.566 -8.998 1.00 0.00 C ATOM 278 C GLY A 20 -8.246 11.368 -8.441 1.00 0.00 C ATOM 279 O GLY A 20 -8.403 11.485 -7.226 1.00 0.00 O ATOM 0 H GLY A 20 -5.748 9.361 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.217 11.216 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.341 10.209 -9.996 1.00 0.00 H new ATOM 283 N LYS A 21 -9.061 11.923 -9.331 1.00 0.00 N ATOM 284 CA LYS A 21 -10.213 12.719 -8.923 1.00 0.00 C ATOM 285 C LYS A 21 -11.387 11.822 -8.545 1.00 0.00 C ATOM 286 O LYS A 21 -11.448 10.660 -8.946 1.00 0.00 O ATOM 287 CB LYS A 21 -10.626 13.670 -10.048 1.00 0.00 C ATOM 288 CG LYS A 21 -9.673 14.838 -10.238 1.00 0.00 C ATOM 289 CD LYS A 21 -10.281 15.916 -11.120 1.00 0.00 C ATOM 290 CE LYS A 21 -9.657 17.276 -10.848 1.00 0.00 C ATOM 291 NZ LYS A 21 -10.451 18.382 -11.451 1.00 0.00 N ATOM 0 H LYS A 21 -8.945 11.836 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.928 13.303 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.691 13.110 -10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.623 14.056 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.418 15.262 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.744 14.482 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.139 15.653 -12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.356 15.966 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.578 17.431 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.643 17.297 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.992 19.292 -11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.505 18.249 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.411 18.379 -11.051 1.00 0.00 H new ATOM 305 N VAL A 22 -12.319 12.369 -7.770 1.00 0.00 N ATOM 306 CA VAL A 22 -13.493 11.619 -7.340 1.00 0.00 C ATOM 307 C VAL A 22 -14.621 12.556 -6.923 1.00 0.00 C ATOM 308 O VAL A 22 -14.381 13.613 -6.339 1.00 0.00 O ATOM 309 CB VAL A 22 -13.159 10.680 -6.165 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.320 9.505 -6.643 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.445 11.443 -5.060 1.00 0.00 C ATOM 0 H VAL A 22 -12.283 13.329 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.817 11.022 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.091 10.288 -5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.094 8.853 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.874 8.945 -7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.390 9.874 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.217 10.764 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.519 11.866 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.087 12.247 -4.699 1.00 0.00 H new ATOM 321 N PHE A 23 -15.853 12.161 -7.227 1.00 0.00 N ATOM 322 CA PHE A 23 -17.020 12.966 -6.885 1.00 0.00 C ATOM 323 C PHE A 23 -17.317 12.885 -5.390 1.00 0.00 C ATOM 324 O PHE A 23 -16.939 11.923 -4.721 1.00 0.00 O ATOM 325 CB PHE A 23 -18.239 12.501 -7.684 1.00 0.00 C ATOM 326 CG PHE A 23 -18.437 13.255 -8.968 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.604 14.631 -8.960 1.00 0.00 C ATOM 328 CD2 PHE A 23 -18.457 12.589 -10.182 1.00 0.00 C ATOM 329 CE1 PHE A 23 -18.787 15.328 -10.140 1.00 0.00 C ATOM 330 CE2 PHE A 23 -18.638 13.281 -11.365 1.00 0.00 C ATOM 331 CZ PHE A 23 -18.804 14.652 -11.344 1.00 0.00 C ATOM 0 H PHE A 23 -16.069 11.289 -7.709 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.802 14.003 -7.139 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -18.133 11.439 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -19.131 12.609 -7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -18.591 15.165 -8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -18.330 11.517 -10.205 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -18.917 16.400 -10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -18.650 12.750 -12.305 1.00 0.00 H new ATOM 0 HZ PHE A 23 -18.947 15.194 -12.267 1.00 0.00 H new ATOM 341 N THR A 24 -17.996 13.903 -4.872 1.00 0.00 N ATOM 342 CA THR A 24 -18.342 13.950 -3.457 1.00 0.00 C ATOM 343 C THR A 24 -19.480 12.987 -3.138 1.00 0.00 C ATOM 344 O THR A 24 -20.442 12.874 -3.896 1.00 0.00 O ATOM 345 CB THR A 24 -18.751 15.370 -3.025 1.00 0.00 C ATOM 346 OG1 THR A 24 -19.318 15.339 -1.710 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.755 15.965 -4.001 1.00 0.00 C ATOM 0 H THR A 24 -18.318 14.707 -5.412 1.00 0.00 H new ATOM 0 HA THR A 24 -17.451 13.653 -2.904 1.00 0.00 H new ATOM 0 HB THR A 24 -17.858 15.995 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.574 16.246 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.029 16.968 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.310 16.015 -4.995 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.646 15.338 -4.034 1.00 0.00 H new ATOM 355 N GLY A 25 -19.364 12.294 -2.009 1.00 0.00 N ATOM 356 CA GLY A 25 -20.391 11.349 -1.609 1.00 0.00 C ATOM 357 C GLY A 25 -20.228 9.999 -2.278 1.00 0.00 C ATOM 358 O GLY A 25 -20.258 8.962 -1.614 1.00 0.00 O ATOM 0 H GLY A 25 -18.577 12.370 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.361 11.221 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.371 11.757 -1.855 1.00 0.00 H new ATOM 362 N SER A 26 -20.058 10.009 -3.596 1.00 0.00 N ATOM 363 CA SER A 26 -19.896 8.775 -4.356 1.00 0.00 C ATOM 364 C SER A 26 -18.912 7.837 -3.664 1.00 0.00 C ATOM 365 O SER A 26 -18.010 8.279 -2.953 1.00 0.00 O ATOM 366 CB SER A 26 -19.411 9.084 -5.774 1.00 0.00 C ATOM 367 OG SER A 26 -20.495 9.431 -6.618 1.00 0.00 O ATOM 0 H SER A 26 -20.029 10.858 -4.160 1.00 0.00 H new ATOM 0 HA SER A 26 -20.866 8.281 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.691 9.902 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.892 8.217 -6.181 1.00 0.00 H new ATOM 0 HG SER A 26 -20.160 9.626 -7.518 1.00 0.00 H new ATOM 373 N ALA A 27 -19.094 6.537 -3.877 1.00 0.00 N ATOM 374 CA ALA A 27 -18.223 5.535 -3.276 1.00 0.00 C ATOM 375 C ALA A 27 -17.448 4.770 -4.344 1.00 0.00 C ATOM 376 O ALA A 27 -18.037 4.200 -5.264 1.00 0.00 O ATOM 377 CB ALA A 27 -19.035 4.575 -2.420 1.00 0.00 C ATOM 0 H ALA A 27 -19.837 6.154 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.502 6.050 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.372 3.832 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.538 5.130 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.778 4.074 -3.040 1.00 0.00 H new ATOM 383 N HIS A 28 -16.125 4.761 -4.217 1.00 0.00 N ATOM 384 CA HIS A 28 -15.270 4.065 -5.172 1.00 0.00 C ATOM 385 C HIS A 28 -14.808 2.724 -4.611 1.00 0.00 C ATOM 386 O HIS A 28 -14.851 2.498 -3.401 1.00 0.00 O ATOM 387 CB HIS A 28 -14.058 4.928 -5.526 1.00 0.00 C ATOM 388 CG HIS A 28 -14.399 6.131 -6.350 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.020 6.273 -7.668 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.090 7.252 -6.036 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.461 7.430 -8.129 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.114 8.043 -7.158 1.00 0.00 N ATOM 0 H HIS A 28 -15.622 5.228 -3.462 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.851 3.880 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.573 5.254 -4.606 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.335 4.319 -6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.539 7.481 -5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.313 7.810 -9.129 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.563 8.956 -7.230 1.00 0.00 H new ATOM 400 N CYS A 29 -14.368 1.837 -5.497 1.00 0.00 N ATOM 401 CA CYS A 29 -13.900 0.517 -5.090 1.00 0.00 C ATOM 402 C CYS A 29 -12.468 0.281 -5.557 1.00 0.00 C ATOM 403 O CYS A 29 -12.182 0.301 -6.755 1.00 0.00 O ATOM 404 CB CYS A 29 -14.819 -0.568 -5.654 1.00 0.00 C ATOM 405 SG CYS A 29 -14.887 -0.613 -7.460 1.00 0.00 S ATOM 0 H CYS A 29 -14.326 2.008 -6.502 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.920 0.470 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.483 -1.539 -5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.826 -0.413 -5.267 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.750 -0.213 -7.947 1.00 0.00 H new ATOM 411 N TYR A 30 -11.570 0.059 -4.604 1.00 0.00 N ATOM 412 CA TYR A 30 -10.165 -0.177 -4.916 1.00 0.00 C ATOM 413 C TYR A 30 -9.685 -1.491 -4.308 1.00 0.00 C ATOM 414 O TYR A 30 -10.278 -2.000 -3.358 1.00 0.00 O ATOM 415 CB TYR A 30 -9.306 0.980 -4.404 1.00 0.00 C ATOM 416 CG TYR A 30 -9.814 2.342 -4.819 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.098 2.624 -6.149 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.011 3.347 -3.880 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.562 3.867 -6.532 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.476 4.593 -4.254 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.749 4.849 -5.581 1.00 0.00 C ATOM 422 OH TYR A 30 -11.212 6.088 -5.959 1.00 0.00 O ATOM 0 H TYR A 30 -11.790 0.037 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.066 -0.242 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.261 0.934 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.287 0.855 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.953 1.858 -6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.797 3.151 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.777 4.069 -7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.625 5.362 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.759 6.000 -6.767 1.00 0.00 H new ATOM 432 N GLU A 31 -8.605 -2.033 -4.863 1.00 0.00 N ATOM 433 CA GLU A 31 -8.045 -3.288 -4.375 1.00 0.00 C ATOM 434 C GLU A 31 -6.531 -3.182 -4.218 1.00 0.00 C ATOM 435 O GLU A 31 -5.854 -2.554 -5.031 1.00 0.00 O ATOM 436 CB GLU A 31 -8.391 -4.432 -5.330 1.00 0.00 C ATOM 437 CG GLU A 31 -8.296 -5.807 -4.691 1.00 0.00 C ATOM 438 CD GLU A 31 -8.963 -6.885 -5.525 1.00 0.00 C ATOM 439 OE1 GLU A 31 -9.168 -6.655 -6.735 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.279 -7.956 -4.967 1.00 0.00 O ATOM 0 H GLU A 31 -8.101 -1.623 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.481 -3.496 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.403 -4.285 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.721 -4.393 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.247 -6.064 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.758 -5.778 -3.704 1.00 0.00 H new ATOM 447 N ALA A 32 -6.006 -3.802 -3.165 1.00 0.00 N ATOM 448 CA ALA A 32 -4.573 -3.779 -2.901 1.00 0.00 C ATOM 449 C ALA A 32 -4.059 -5.170 -2.545 1.00 0.00 C ATOM 450 O ALA A 32 -4.626 -5.852 -1.691 1.00 0.00 O ATOM 451 CB ALA A 32 -4.258 -2.796 -1.784 1.00 0.00 C ATOM 0 H ALA A 32 -6.552 -4.326 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.066 -3.454 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.184 -2.789 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.582 -1.797 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.782 -3.096 -0.877 1.00 0.00 H new ATOM 457 N ILE A 33 -2.983 -5.585 -3.206 1.00 0.00 N ATOM 458 CA ILE A 33 -2.393 -6.894 -2.958 1.00 0.00 C ATOM 459 C ILE A 33 -1.126 -6.776 -2.119 1.00 0.00 C ATOM 460 O ILE A 33 -0.186 -6.070 -2.488 1.00 0.00 O ATOM 461 CB ILE A 33 -2.057 -7.618 -4.275 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.066 -7.241 -5.362 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.039 -9.125 -4.062 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.484 -7.116 -4.853 1.00 0.00 C ATOM 0 H ILE A 33 -2.503 -5.033 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.135 -7.476 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.065 -7.305 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.766 -6.295 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.037 -7.993 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.800 -9.622 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.286 -9.378 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.018 -9.455 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.144 -6.847 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.803 -8.068 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.528 -6.343 -4.086 1.00 0.00 H new ATOM 476 N LEU A 34 -1.105 -7.473 -0.988 1.00 0.00 N ATOM 477 CA LEU A 34 0.049 -7.449 -0.095 1.00 0.00 C ATOM 478 C LEU A 34 0.805 -8.772 -0.147 1.00 0.00 C ATOM 479 O LEU A 34 0.291 -9.810 0.271 1.00 0.00 O ATOM 480 CB LEU A 34 -0.398 -7.159 1.339 1.00 0.00 C ATOM 481 CG LEU A 34 0.661 -6.553 2.262 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.973 -5.123 1.850 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.197 -6.604 3.710 1.00 0.00 C ATOM 0 H LEU A 34 -1.874 -8.062 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 34 0.719 -6.656 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.251 -6.481 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.750 -8.090 1.784 1.00 0.00 H new ATOM 0 HG LEU A 34 1.574 -7.142 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.728 -4.708 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.349 -5.113 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.066 -4.521 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.962 -6.169 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.729 -6.039 3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.025 -7.640 4.001 1.00 0.00 H new ATOM 495 N TYR A 35 2.030 -8.728 -0.660 1.00 0.00 N ATOM 496 CA TYR A 35 2.858 -9.924 -0.766 1.00 0.00 C ATOM 497 C TYR A 35 3.656 -10.149 0.514 1.00 0.00 C ATOM 498 O TYR A 35 4.460 -9.309 0.913 1.00 0.00 O ATOM 499 CB TYR A 35 3.808 -9.807 -1.959 1.00 0.00 C ATOM 500 CG TYR A 35 3.102 -9.787 -3.296 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.256 -8.741 -3.641 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.281 -10.815 -4.214 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.608 -8.718 -4.861 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.639 -10.800 -5.437 1.00 0.00 C ATOM 505 CZ TYR A 35 1.804 -9.750 -5.756 1.00 0.00 C ATOM 506 OH TYR A 35 1.161 -9.732 -6.973 1.00 0.00 O ATOM 0 H TYR A 35 2.471 -7.877 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 35 2.199 -10.779 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.397 -8.896 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.507 -10.643 -1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.102 -7.931 -2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.933 -11.640 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.952 -7.898 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.790 -11.606 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 35 1.408 -10.530 -7.485 1.00 0.00 H new ATOM 516 N ASN A 36 3.426 -11.292 1.153 1.00 0.00 N ATOM 517 CA ASN A 36 4.123 -11.630 2.389 1.00 0.00 C ATOM 518 C ASN A 36 5.440 -12.341 2.094 1.00 0.00 C ATOM 519 O ASN A 36 5.452 -13.473 1.611 1.00 0.00 O ATOM 520 CB ASN A 36 3.239 -12.514 3.271 1.00 0.00 C ATOM 521 CG ASN A 36 3.922 -12.901 4.569 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.565 -12.074 5.216 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.785 -14.164 4.956 1.00 0.00 N ATOM 0 H ASN A 36 2.763 -11.999 0.836 1.00 0.00 H new ATOM 0 HA ASN A 36 4.342 -10.703 2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.311 -11.988 3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.969 -13.416 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.222 -14.483 5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.243 -14.815 4.388 1.00 0.00 H new ATOM 530 N LYS A 37 6.547 -11.668 2.387 1.00 0.00 N ATOM 531 CA LYS A 37 7.871 -12.235 2.156 1.00 0.00 C ATOM 532 C LYS A 37 8.421 -12.870 3.429 1.00 0.00 C ATOM 533 O LYS A 37 9.584 -12.676 3.778 1.00 0.00 O ATOM 534 CB LYS A 37 8.831 -11.152 1.658 1.00 0.00 C ATOM 535 CG LYS A 37 8.419 -10.537 0.332 1.00 0.00 C ATOM 536 CD LYS A 37 8.803 -11.425 -0.839 1.00 0.00 C ATOM 537 CE LYS A 37 7.928 -11.156 -2.054 1.00 0.00 C ATOM 538 NZ LYS A 37 8.635 -11.469 -3.327 1.00 0.00 N ATOM 0 H LYS A 37 6.554 -10.729 2.785 1.00 0.00 H new ATOM 0 HA LYS A 37 7.780 -13.010 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.898 -10.365 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.828 -11.581 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.342 -10.372 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.892 -9.561 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.848 -11.256 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.712 -12.472 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.019 -11.754 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.622 -10.110 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.005 -11.272 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.489 -10.880 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.905 -12.473 -3.336 1.00 0.00 H new ATOM 552 N GLY A 38 7.576 -13.632 4.118 1.00 0.00 N ATOM 553 CA GLY A 38 7.997 -14.285 5.343 1.00 0.00 C ATOM 554 C GLY A 38 8.048 -15.794 5.208 1.00 0.00 C ATOM 555 O GLY A 38 7.604 -16.349 4.203 1.00 0.00 O ATOM 0 H GLY A 38 6.608 -13.808 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.982 -13.915 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.311 -14.018 6.147 1.00 0.00 H new ATOM 559 N SER A 39 8.592 -16.460 6.222 1.00 0.00 N ATOM 560 CA SER A 39 8.704 -17.913 6.209 1.00 0.00 C ATOM 561 C SER A 39 7.432 -18.561 6.747 1.00 0.00 C ATOM 562 O SER A 39 6.981 -19.587 6.235 1.00 0.00 O ATOM 563 CB SER A 39 9.909 -18.360 7.040 1.00 0.00 C ATOM 564 OG SER A 39 9.989 -19.774 7.103 1.00 0.00 O ATOM 0 H SER A 39 8.962 -16.016 7.062 1.00 0.00 H new ATOM 0 HA SER A 39 8.845 -18.233 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.824 -17.960 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.831 -17.952 8.048 1.00 0.00 H new ATOM 0 HG SER A 39 10.768 -20.034 7.638 1.00 0.00 H new ATOM 570 N ILE A 40 6.860 -17.956 7.782 1.00 0.00 N ATOM 571 CA ILE A 40 5.639 -18.472 8.389 1.00 0.00 C ATOM 572 C ILE A 40 4.540 -17.415 8.400 1.00 0.00 C ATOM 573 O ILE A 40 4.792 -16.241 8.130 1.00 0.00 O ATOM 574 CB ILE A 40 5.888 -18.954 9.830 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.268 -17.774 10.727 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.976 -20.017 9.854 1.00 0.00 C ATOM 577 CD1 ILE A 40 6.027 -18.030 12.198 1.00 0.00 C ATOM 0 H ILE A 40 7.222 -17.108 8.218 1.00 0.00 H new ATOM 0 HA ILE A 40 5.318 -19.318 7.782 1.00 0.00 H new ATOM 0 HB ILE A 40 4.968 -19.396 10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.321 -17.538 10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.697 -16.897 10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.140 -20.347 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.668 -20.867 9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.901 -19.600 9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.319 -17.151 12.773 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.970 -18.237 12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.619 -18.887 12.520 1.00 0.00 H new ATOM 589 N ASP A 41 3.322 -17.839 8.716 1.00 0.00 N ATOM 590 CA ASP A 41 2.184 -16.928 8.766 1.00 0.00 C ATOM 591 C ASP A 41 2.591 -15.583 9.359 1.00 0.00 C ATOM 592 O ASP A 41 3.203 -15.523 10.425 1.00 0.00 O ATOM 593 CB ASP A 41 1.050 -17.540 9.589 1.00 0.00 C ATOM 594 CG ASP A 41 0.178 -18.472 8.771 1.00 0.00 C ATOM 595 OD1 ASP A 41 0.721 -19.171 7.889 1.00 0.00 O ATOM 596 OD2 ASP A 41 -1.047 -18.502 9.012 1.00 0.00 O ATOM 0 H ASP A 41 3.097 -18.808 8.942 1.00 0.00 H new ATOM 0 HA ASP A 41 1.835 -16.765 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.472 -18.088 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.434 -16.742 10.004 1.00 0.00 H new ATOM 601 N ALA A 42 2.247 -14.506 8.661 1.00 0.00 N ATOM 602 CA ALA A 42 2.575 -13.161 9.118 1.00 0.00 C ATOM 603 C ALA A 42 1.318 -12.390 9.504 1.00 0.00 C ATOM 604 O ALA A 42 0.424 -12.188 8.681 1.00 0.00 O ATOM 605 CB ALA A 42 3.347 -12.411 8.043 1.00 0.00 C ATOM 0 H ALA A 42 1.741 -14.539 7.776 1.00 0.00 H new ATOM 0 HA ALA A 42 3.202 -13.249 10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.585 -11.408 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.270 -12.945 7.819 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.740 -12.341 7.141 1.00 0.00 H new ATOM 611 N LEU A 43 1.254 -11.962 10.760 1.00 0.00 N ATOM 612 CA LEU A 43 0.104 -11.213 11.256 1.00 0.00 C ATOM 613 C LEU A 43 0.172 -9.755 10.813 1.00 0.00 C ATOM 614 O LEU A 43 1.210 -9.105 10.939 1.00 0.00 O ATOM 615 CB LEU A 43 0.039 -11.292 12.782 1.00 0.00 C ATOM 616 CG LEU A 43 -0.584 -12.562 13.362 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.471 -13.644 13.535 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.267 -12.264 14.689 1.00 0.00 C ATOM 0 H LEU A 43 1.985 -12.121 11.454 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.798 -11.659 10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.051 -11.196 13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.527 -10.435 13.147 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.337 -12.926 12.662 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.009 -14.540 13.949 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.914 -13.878 12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.247 -13.290 14.213 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.705 -13.180 15.087 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.534 -11.875 15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.052 -11.523 14.536 1.00 0.00 H new ATOM 630 N PHE A 44 -0.941 -9.246 10.296 1.00 0.00 N ATOM 631 CA PHE A 44 -1.008 -7.864 9.836 1.00 0.00 C ATOM 632 C PHE A 44 -2.275 -7.183 10.345 1.00 0.00 C ATOM 633 O PHE A 44 -3.209 -7.843 10.798 1.00 0.00 O ATOM 634 CB PHE A 44 -0.967 -7.811 8.307 1.00 0.00 C ATOM 635 CG PHE A 44 -2.206 -8.353 7.654 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.344 -9.712 7.422 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.232 -7.504 7.273 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.483 -10.215 6.822 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.373 -8.001 6.672 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.499 -9.358 6.445 1.00 0.00 C ATOM 0 H PHE A 44 -1.809 -9.770 10.185 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.144 -7.332 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.822 -6.778 7.991 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.104 -8.376 7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.552 -10.386 7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.139 -6.442 7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.579 -11.277 6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.166 -7.329 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.389 -9.748 5.974 1.00 0.00 H new ATOM 650 N ASN A 45 -2.297 -5.856 10.269 1.00 0.00 N ATOM 651 CA ASN A 45 -3.448 -5.083 10.723 1.00 0.00 C ATOM 652 C ASN A 45 -3.284 -3.607 10.374 1.00 0.00 C ATOM 653 O ASN A 45 -2.188 -3.055 10.467 1.00 0.00 O ATOM 654 CB ASN A 45 -3.632 -5.244 12.233 1.00 0.00 C ATOM 655 CG ASN A 45 -4.837 -4.484 12.753 1.00 0.00 C ATOM 656 OD1 ASN A 45 -5.888 -4.452 12.112 1.00 0.00 O ATOM 657 ND2 ASN A 45 -4.689 -3.867 13.920 1.00 0.00 N ATOM 0 H ASN A 45 -1.531 -5.294 9.898 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.333 -5.462 10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.742 -6.302 12.472 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.736 -4.893 12.745 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.465 -3.339 14.320 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.799 -3.921 14.416 1.00 0.00 H new ATOM 664 N MET A 46 -4.382 -2.975 9.972 1.00 0.00 N ATOM 665 CA MET A 46 -4.360 -1.562 9.611 1.00 0.00 C ATOM 666 C MET A 46 -4.510 -0.682 10.848 1.00 0.00 C ATOM 667 O MET A 46 -5.230 -1.028 11.786 1.00 0.00 O ATOM 668 CB MET A 46 -5.476 -1.252 8.612 1.00 0.00 C ATOM 669 CG MET A 46 -5.470 -2.159 7.393 1.00 0.00 C ATOM 670 SD MET A 46 -4.166 -1.739 6.221 1.00 0.00 S ATOM 671 CE MET A 46 -4.390 0.033 6.085 1.00 0.00 C ATOM 0 H MET A 46 -5.297 -3.418 9.888 1.00 0.00 H new ATOM 0 HA MET A 46 -3.397 -1.346 9.148 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.438 -1.341 9.116 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.382 -0.217 8.285 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.345 -3.193 7.715 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.437 -2.096 6.893 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.053 0.368 5.104 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.445 0.277 6.209 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.809 0.534 6.859 1.00 0.00 H new ATOM 681 N THR A 47 -3.825 0.458 10.845 1.00 0.00 N ATOM 682 CA THR A 47 -3.881 1.386 11.967 1.00 0.00 C ATOM 683 C THR A 47 -5.055 2.348 11.826 1.00 0.00 C ATOM 684 O THR A 47 -5.349 2.853 10.743 1.00 0.00 O ATOM 685 CB THR A 47 -2.578 2.198 12.090 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.470 1.317 12.306 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.669 3.198 13.233 1.00 0.00 C ATOM 0 H THR A 47 -3.225 0.760 10.077 1.00 0.00 H new ATOM 0 HA THR A 47 -4.012 0.786 12.868 1.00 0.00 H new ATOM 0 HB THR A 47 -2.429 2.747 11.160 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.401 1.106 13.261 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.737 3.760 13.300 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.495 3.886 13.050 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.840 2.666 14.169 1.00 0.00 H new ATOM 695 N PRO A 48 -5.743 2.611 12.947 1.00 0.00 N ATOM 696 CA PRO A 48 -6.896 3.516 12.975 1.00 0.00 C ATOM 697 C PRO A 48 -6.495 4.972 12.763 1.00 0.00 C ATOM 698 O PRO A 48 -5.688 5.533 13.504 1.00 0.00 O ATOM 699 CB PRO A 48 -7.469 3.319 14.380 1.00 0.00 C ATOM 700 CG PRO A 48 -6.313 2.857 15.199 1.00 0.00 C ATOM 701 CD PRO A 48 -5.449 2.045 14.275 1.00 0.00 C ATOM 0 HA PRO A 48 -7.605 3.297 12.177 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.886 4.247 14.771 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.273 2.583 14.380 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.760 3.704 15.607 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.649 2.258 16.046 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.393 2.139 14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.695 0.984 14.323 1.00 0.00 H new ATOM 709 N PRO A 49 -7.071 5.601 11.727 1.00 0.00 N ATOM 710 CA PRO A 49 -6.790 7.001 11.395 1.00 0.00 C ATOM 711 C PRO A 49 -7.360 7.968 12.426 1.00 0.00 C ATOM 712 O PRO A 49 -8.249 7.613 13.201 1.00 0.00 O ATOM 713 CB PRO A 49 -7.483 7.190 10.043 1.00 0.00 C ATOM 714 CG PRO A 49 -8.569 6.171 10.028 1.00 0.00 C ATOM 715 CD PRO A 49 -8.043 4.994 10.802 1.00 0.00 C ATOM 0 HA PRO A 49 -5.720 7.208 11.374 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.885 8.198 9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.788 7.040 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.478 6.563 10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.822 5.885 9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.839 4.477 11.338 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.571 4.261 10.148 1.00 0.00 H new ATOM 723 N THR A 50 -6.844 9.193 12.432 1.00 0.00 N ATOM 724 CA THR A 50 -7.302 10.211 13.368 1.00 0.00 C ATOM 725 C THR A 50 -7.694 11.492 12.640 1.00 0.00 C ATOM 726 O THR A 50 -7.604 12.586 13.196 1.00 0.00 O ATOM 727 CB THR A 50 -6.219 10.540 14.414 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.480 9.358 14.742 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.843 11.120 15.674 1.00 0.00 C ATOM 0 H THR A 50 -6.108 9.504 11.798 1.00 0.00 H new ATOM 0 HA THR A 50 -8.176 9.803 13.876 1.00 0.00 H new ATOM 0 HB THR A 50 -5.545 11.282 13.986 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.793 9.576 15.406 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.060 11.344 16.398 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.381 12.035 15.426 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.537 10.397 16.103 1.00 0.00 H new ATOM 737 N SER A 51 -8.130 11.348 11.393 1.00 0.00 N ATOM 738 CA SER A 51 -8.534 12.494 10.587 1.00 0.00 C ATOM 739 C SER A 51 -9.868 12.230 9.896 1.00 0.00 C ATOM 740 O SER A 51 -10.135 11.118 9.442 1.00 0.00 O ATOM 741 CB SER A 51 -7.461 12.814 9.544 1.00 0.00 C ATOM 742 OG SER A 51 -7.574 14.152 9.090 1.00 0.00 O ATOM 0 H SER A 51 -8.213 10.449 10.919 1.00 0.00 H new ATOM 0 HA SER A 51 -8.652 13.350 11.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.472 12.655 9.974 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.555 12.131 8.700 1.00 0.00 H new ATOM 0 HG SER A 51 -6.876 14.332 8.426 1.00 0.00 H new ATOM 748 N ALA A 52 -10.703 13.261 9.822 1.00 0.00 N ATOM 749 CA ALA A 52 -12.009 13.143 9.186 1.00 0.00 C ATOM 750 C ALA A 52 -11.890 12.516 7.801 1.00 0.00 C ATOM 751 O ALA A 52 -12.669 11.633 7.439 1.00 0.00 O ATOM 752 CB ALA A 52 -12.678 14.506 9.094 1.00 0.00 C ATOM 0 H ALA A 52 -10.498 14.188 10.195 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.627 12.489 9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.652 14.402 8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.807 14.917 10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.055 15.178 8.504 1.00 0.00 H new ATOM 758 N LEU A 53 -10.912 12.977 7.030 1.00 0.00 N ATOM 759 CA LEU A 53 -10.691 12.462 5.683 1.00 0.00 C ATOM 760 C LEU A 53 -10.049 11.079 5.728 1.00 0.00 C ATOM 761 O LEU A 53 -10.317 10.231 4.878 1.00 0.00 O ATOM 762 CB LEU A 53 -9.806 13.422 4.887 1.00 0.00 C ATOM 763 CG LEU A 53 -10.014 13.427 3.372 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.669 12.069 2.781 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.447 13.810 3.032 1.00 0.00 C ATOM 0 H LEU A 53 -10.259 13.707 7.314 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.659 12.377 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.973 14.432 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.764 13.176 5.090 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.347 14.170 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.823 12.092 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.626 11.834 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.310 11.306 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.577 13.808 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.132 13.091 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.660 14.806 3.422 1.00 0.00 H new ATOM 777 N GLY A 54 -9.200 10.858 6.727 1.00 0.00 N ATOM 778 CA GLY A 54 -8.535 9.576 6.866 1.00 0.00 C ATOM 779 C GLY A 54 -9.460 8.496 7.391 1.00 0.00 C ATOM 780 O GLY A 54 -9.210 7.307 7.197 1.00 0.00 O ATOM 0 H GLY A 54 -8.961 11.544 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.137 9.270 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.686 9.682 7.541 1.00 0.00 H new ATOM 784 N ALA A 55 -10.531 8.911 8.060 1.00 0.00 N ATOM 785 CA ALA A 55 -11.497 7.970 8.614 1.00 0.00 C ATOM 786 C ALA A 55 -12.388 7.390 7.522 1.00 0.00 C ATOM 787 O ALA A 55 -12.672 6.192 7.509 1.00 0.00 O ATOM 788 CB ALA A 55 -12.341 8.649 9.683 1.00 0.00 C ATOM 0 H ALA A 55 -10.751 9.892 8.231 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.946 7.148 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.058 7.935 10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.694 9.008 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.876 9.491 9.244 1.00 0.00 H new ATOM 794 N CYS A 56 -12.828 8.247 6.607 1.00 0.00 N ATOM 795 CA CYS A 56 -13.690 7.820 5.510 1.00 0.00 C ATOM 796 C CYS A 56 -13.176 6.526 4.887 1.00 0.00 C ATOM 797 O CYS A 56 -13.958 5.668 4.479 1.00 0.00 O ATOM 798 CB CYS A 56 -13.775 8.915 4.445 1.00 0.00 C ATOM 799 SG CYS A 56 -15.059 10.149 4.757 1.00 0.00 S ATOM 0 H CYS A 56 -12.602 9.242 6.603 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.686 7.637 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.810 9.418 4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.959 8.451 3.476 1.00 0.00 H new ATOM 0 HG CYS A 56 -16.118 9.859 4.060 1.00 0.00 H new ATOM 805 N PHE A 57 -11.855 6.394 4.816 1.00 0.00 N ATOM 806 CA PHE A 57 -11.236 5.206 4.240 1.00 0.00 C ATOM 807 C PHE A 57 -11.599 3.960 5.043 1.00 0.00 C ATOM 808 O PHE A 57 -11.694 4.004 6.269 1.00 0.00 O ATOM 809 CB PHE A 57 -9.716 5.370 4.191 1.00 0.00 C ATOM 810 CG PHE A 57 -9.251 6.344 3.146 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.210 7.702 3.415 1.00 0.00 C ATOM 812 CD2 PHE A 57 -8.854 5.900 1.895 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.783 8.600 2.455 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.426 6.793 0.931 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.390 8.145 1.212 1.00 0.00 C ATOM 0 H PHE A 57 -11.193 7.095 5.150 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.614 5.086 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.363 5.701 5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.260 4.399 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.515 8.063 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.879 4.844 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.757 9.657 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.120 6.434 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.055 8.845 0.461 1.00 0.00 H new ATOM 825 N VAL A 58 -11.802 2.850 4.341 1.00 0.00 N ATOM 826 CA VAL A 58 -12.154 1.591 4.986 1.00 0.00 C ATOM 827 C VAL A 58 -11.420 0.419 4.344 1.00 0.00 C ATOM 828 O VAL A 58 -11.673 0.072 3.190 1.00 0.00 O ATOM 829 CB VAL A 58 -13.671 1.331 4.920 1.00 0.00 C ATOM 830 CG1 VAL A 58 -14.019 0.021 5.611 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.437 2.490 5.538 1.00 0.00 C ATOM 0 H VAL A 58 -11.729 2.797 3.325 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.852 1.676 6.030 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.963 1.250 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.095 -0.146 5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.498 -0.800 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.714 0.069 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.507 2.290 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.143 2.606 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.211 3.407 4.994 1.00 0.00 H new ATOM 841 N PHE A 59 -10.509 -0.187 5.098 1.00 0.00 N ATOM 842 CA PHE A 59 -9.737 -1.320 4.602 1.00 0.00 C ATOM 843 C PHE A 59 -10.301 -2.636 5.132 1.00 0.00 C ATOM 844 O PHE A 59 -10.811 -2.700 6.250 1.00 0.00 O ATOM 845 CB PHE A 59 -8.269 -1.181 5.009 1.00 0.00 C ATOM 846 CG PHE A 59 -7.549 -0.077 4.288 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.942 1.242 4.446 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.480 -0.359 3.454 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.282 2.260 3.783 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.815 0.654 2.788 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.217 1.966 2.954 1.00 0.00 C ATOM 0 H PHE A 59 -10.287 0.088 6.055 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.806 -1.327 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.213 -1.000 6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.756 -2.124 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.773 1.478 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.162 -1.383 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.599 3.284 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.983 0.421 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.699 2.760 2.436 1.00 0.00 H new ATOM 861 N SER A 60 -10.205 -3.683 4.319 1.00 0.00 N ATOM 862 CA SER A 60 -10.708 -4.997 4.703 1.00 0.00 C ATOM 863 C SER A 60 -9.922 -6.104 4.008 1.00 0.00 C ATOM 864 O SER A 60 -9.525 -5.985 2.849 1.00 0.00 O ATOM 865 CB SER A 60 -12.194 -5.117 4.358 1.00 0.00 C ATOM 866 OG SER A 60 -12.860 -5.977 5.266 1.00 0.00 O ATOM 0 H SER A 60 -9.784 -3.647 3.391 1.00 0.00 H new ATOM 0 HA SER A 60 -10.582 -5.107 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.657 -4.130 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.305 -5.498 3.343 1.00 0.00 H new ATOM 0 HG SER A 60 -13.808 -6.036 5.025 1.00 0.00 H new ATOM 872 N PRO A 61 -9.691 -7.209 4.733 1.00 0.00 N ATOM 873 CA PRO A 61 -10.159 -7.362 6.114 1.00 0.00 C ATOM 874 C PRO A 61 -9.412 -6.452 7.083 1.00 0.00 C ATOM 875 O PRO A 61 -8.201 -6.264 6.966 1.00 0.00 O ATOM 876 CB PRO A 61 -9.866 -8.832 6.427 1.00 0.00 C ATOM 877 CG PRO A 61 -8.747 -9.198 5.514 1.00 0.00 C ATOM 878 CD PRO A 61 -8.956 -8.394 4.260 1.00 0.00 C ATOM 0 HA PRO A 61 -11.209 -7.090 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.585 -8.966 7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.742 -9.457 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.783 -8.970 5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.753 -10.266 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.009 -8.120 3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.527 -8.950 3.516 1.00 0.00 H new ATOM 886 N LYS A 62 -10.142 -5.889 8.040 1.00 0.00 N ATOM 887 CA LYS A 62 -9.548 -4.999 9.031 1.00 0.00 C ATOM 888 C LYS A 62 -8.308 -5.630 9.656 1.00 0.00 C ATOM 889 O LYS A 62 -7.459 -4.933 10.210 1.00 0.00 O ATOM 890 CB LYS A 62 -10.568 -4.666 10.123 1.00 0.00 C ATOM 891 CG LYS A 62 -10.863 -5.828 11.055 1.00 0.00 C ATOM 892 CD LYS A 62 -12.066 -5.544 11.938 1.00 0.00 C ATOM 893 CE LYS A 62 -13.372 -5.761 11.188 1.00 0.00 C ATOM 894 NZ LYS A 62 -14.541 -5.236 11.946 1.00 0.00 N ATOM 0 H LYS A 62 -11.146 -6.033 8.150 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.251 -4.080 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.198 -3.825 10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.497 -4.343 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.046 -6.728 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.991 -6.025 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.036 -6.192 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.019 -4.517 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.319 -5.270 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.510 -6.826 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.411 -5.403 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.607 -5.723 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.422 -4.215 12.104 1.00 0.00 H new ATOM 908 N GLU A 63 -8.210 -6.953 9.560 1.00 0.00 N ATOM 909 CA GLU A 63 -7.072 -7.676 10.115 1.00 0.00 C ATOM 910 C GLU A 63 -7.086 -9.136 9.671 1.00 0.00 C ATOM 911 O GLU A 63 -8.131 -9.676 9.311 1.00 0.00 O ATOM 912 CB GLU A 63 -7.085 -7.596 11.643 1.00 0.00 C ATOM 913 CG GLU A 63 -8.238 -8.353 12.282 1.00 0.00 C ATOM 914 CD GLU A 63 -7.980 -8.687 13.739 1.00 0.00 C ATOM 915 OE1 GLU A 63 -7.249 -7.921 14.402 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.507 -9.713 14.215 1.00 0.00 O ATOM 0 H GLU A 63 -8.904 -7.545 9.104 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.160 -7.209 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.145 -7.991 12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.138 -6.550 11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.147 -7.756 12.205 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.414 -9.275 11.727 1.00 0.00 H new ATOM 923 N GLY A 64 -5.917 -9.768 9.699 1.00 0.00 N ATOM 924 CA GLY A 64 -5.816 -11.159 9.297 1.00 0.00 C ATOM 925 C GLY A 64 -4.379 -11.635 9.213 1.00 0.00 C ATOM 926 O GLY A 64 -3.496 -11.082 9.869 1.00 0.00 O ATOM 0 H GLY A 64 -5.038 -9.342 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.360 -11.780 10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.296 -11.290 8.327 1.00 0.00 H new ATOM 930 N ILE A 65 -4.144 -12.665 8.407 1.00 0.00 N ATOM 931 CA ILE A 65 -2.805 -13.215 8.241 1.00 0.00 C ATOM 932 C ILE A 65 -2.519 -13.535 6.778 1.00 0.00 C ATOM 933 O ILE A 65 -3.366 -14.090 6.077 1.00 0.00 O ATOM 934 CB ILE A 65 -2.613 -14.492 9.081 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.086 -14.259 10.518 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.155 -14.925 9.061 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.252 -15.535 11.313 1.00 0.00 C ATOM 0 H ILE A 65 -4.864 -13.135 7.859 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.106 -12.453 8.587 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.214 -15.290 8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.371 -13.613 11.027 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.037 -13.727 10.497 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.036 -15.828 9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.849 -15.126 8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.534 -14.131 9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.589 -15.294 12.321 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.989 -16.173 10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.297 -16.058 11.365 1.00 0.00 H new ATOM 949 N ILE A 66 -1.321 -13.183 6.324 1.00 0.00 N ATOM 950 CA ILE A 66 -0.922 -13.436 4.945 1.00 0.00 C ATOM 951 C ILE A 66 0.020 -14.631 4.855 1.00 0.00 C ATOM 952 O ILE A 66 1.188 -14.542 5.232 1.00 0.00 O ATOM 953 CB ILE A 66 -0.234 -12.206 4.324 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.084 -10.953 4.545 1.00 0.00 C ATOM 955 CG2 ILE A 66 0.012 -12.431 2.839 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.536 -9.722 3.857 1.00 0.00 C ATOM 0 H ILE A 66 -0.610 -12.722 6.891 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.833 -13.653 4.388 1.00 0.00 H new ATOM 0 HB ILE A 66 0.729 -12.060 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.095 -11.141 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.159 -10.758 5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.499 -11.553 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.653 -13.302 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.939 -12.599 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.189 -8.872 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.464 -9.508 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.487 -9.897 2.782 1.00 0.00 H new ATOM 968 N GLU A 67 -0.496 -15.748 4.352 1.00 0.00 N ATOM 969 CA GLU A 67 0.301 -16.961 4.212 1.00 0.00 C ATOM 970 C GLU A 67 1.687 -16.641 3.660 1.00 0.00 C ATOM 971 O GLU A 67 1.886 -15.660 2.943 1.00 0.00 O ATOM 972 CB GLU A 67 -0.407 -17.960 3.294 1.00 0.00 C ATOM 973 CG GLU A 67 -0.147 -17.719 1.817 1.00 0.00 C ATOM 974 CD GLU A 67 -1.118 -18.467 0.924 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.233 -17.952 0.696 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.763 -19.568 0.453 1.00 0.00 O ATOM 0 H GLU A 67 -1.461 -15.838 4.035 1.00 0.00 H new ATOM 0 HA GLU A 67 0.416 -17.405 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.084 -18.969 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.480 -17.912 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.217 -16.651 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.871 -18.025 1.577 1.00 0.00 H new ATOM 983 N PRO A 68 2.670 -17.488 4.002 1.00 0.00 N ATOM 984 CA PRO A 68 4.054 -17.317 3.552 1.00 0.00 C ATOM 985 C PRO A 68 4.215 -17.578 2.059 1.00 0.00 C ATOM 986 O PRO A 68 3.574 -18.470 1.502 1.00 0.00 O ATOM 987 CB PRO A 68 4.823 -18.362 4.364 1.00 0.00 C ATOM 988 CG PRO A 68 3.811 -19.405 4.693 1.00 0.00 C ATOM 989 CD PRO A 68 2.504 -18.678 4.853 1.00 0.00 C ATOM 0 HA PRO A 68 4.408 -16.297 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.650 -18.780 3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.250 -17.926 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.748 -20.151 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.078 -19.933 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.662 -19.289 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.320 -18.406 5.892 1.00 0.00 H new ATOM 997 N SER A 69 5.076 -16.796 1.415 1.00 0.00 N ATOM 998 CA SER A 69 5.318 -16.941 -0.016 1.00 0.00 C ATOM 999 C SER A 69 4.011 -16.867 -0.799 1.00 0.00 C ATOM 1000 O SER A 69 3.750 -17.692 -1.673 1.00 0.00 O ATOM 1001 CB SER A 69 6.023 -18.268 -0.303 1.00 0.00 C ATOM 1002 OG SER A 69 7.431 -18.126 -0.222 1.00 0.00 O ATOM 0 H SER A 69 5.617 -16.056 1.861 1.00 0.00 H new ATOM 0 HA SER A 69 5.959 -16.120 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.689 -19.022 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.747 -18.623 -1.296 1.00 0.00 H new ATOM 0 HG SER A 69 7.858 -18.988 -0.408 1.00 0.00 H new ATOM 1008 N GLY A 70 3.191 -15.870 -0.477 1.00 0.00 N ATOM 1009 CA GLY A 70 1.921 -15.706 -1.158 1.00 0.00 C ATOM 1010 C GLY A 70 1.472 -14.258 -1.207 1.00 0.00 C ATOM 1011 O GLY A 70 2.297 -13.348 -1.293 1.00 0.00 O ATOM 0 H GLY A 70 3.384 -15.174 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.005 -16.092 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.161 -16.302 -0.652 1.00 0.00 H new ATOM 1015 N VAL A 71 0.162 -14.044 -1.154 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.395 -12.698 -1.193 1.00 0.00 C ATOM 1017 C VAL A 71 -1.735 -12.635 -0.468 1.00 0.00 C ATOM 1018 O VAL A 71 -2.235 -13.649 0.019 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.585 -12.211 -2.642 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.761 -12.036 -3.327 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.466 -13.178 -3.418 1.00 0.00 C ATOM 0 H VAL A 71 -0.534 -14.786 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 71 0.318 -12.046 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.083 -11.241 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.607 -11.692 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.354 -11.301 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.289 -12.990 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.589 -12.818 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.999 -14.163 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.442 -13.247 -2.937 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.311 -11.439 -0.401 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.593 -11.245 0.265 1.00 0.00 C ATOM 1033 C GLN A 72 -4.313 -10.019 -0.286 1.00 0.00 C ATOM 1034 O GLN A 72 -3.827 -8.895 -0.161 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.391 -11.098 1.774 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.628 -10.608 2.509 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.735 -11.642 2.543 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.498 -12.813 2.842 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.955 -11.215 2.235 1.00 0.00 N ATOM 0 H GLN A 72 -1.910 -10.590 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.210 -12.123 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.091 -12.061 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.571 -10.403 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.356 -10.339 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.997 -9.702 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.107 -10.236 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.740 -11.866 2.240 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.472 -10.243 -0.895 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.259 -9.155 -1.463 1.00 0.00 C ATOM 1050 C ALA A 73 -6.756 -8.210 -0.374 1.00 0.00 C ATOM 1051 O ALA A 73 -7.214 -8.650 0.681 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.432 -9.711 -2.257 1.00 0.00 C ATOM 0 H ALA A 73 -5.887 -11.168 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.616 -8.587 -2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.011 -8.888 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.059 -10.340 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.068 -10.304 -1.600 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.662 -6.911 -0.637 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.102 -5.904 0.321 1.00 0.00 C ATOM 1060 C ILE A 74 -8.148 -4.980 -0.294 1.00 0.00 C ATOM 1061 O ILE A 74 -7.874 -4.280 -1.268 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.921 -5.057 0.830 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.852 -5.957 1.453 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.405 -4.025 1.838 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.113 -6.290 2.905 1.00 0.00 C ATOM 0 H ILE A 74 -6.285 -6.531 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.543 -6.440 1.162 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.479 -4.531 -0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.791 -6.883 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.882 -5.466 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.559 -3.434 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.135 -3.368 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.869 -4.532 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.315 -6.931 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.145 -5.370 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.067 -6.809 2.993 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.345 -4.984 0.282 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.432 -4.145 -0.209 1.00 0.00 C ATOM 1079 C GLN A 75 -10.406 -2.774 0.459 1.00 0.00 C ATOM 1080 O GLN A 75 -10.483 -2.669 1.684 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.780 -4.822 0.041 1.00 0.00 C ATOM 1082 CG GLN A 75 -11.906 -6.187 -0.615 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.156 -6.097 -2.108 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -12.482 -5.031 -2.631 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -12.004 -7.218 -2.803 1.00 0.00 N ATOM 0 H GLN A 75 -9.587 -5.559 1.089 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.296 -4.009 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.930 -4.929 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.576 -4.176 -0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.994 -6.757 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.722 -6.737 -0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.733 -8.079 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.159 -7.218 -3.811 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.297 -1.728 -0.352 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.262 -0.364 0.161 1.00 0.00 C ATOM 1096 C ILE A 76 -11.468 0.436 -0.320 1.00 0.00 C ATOM 1097 O ILE A 76 -11.781 0.451 -1.510 1.00 0.00 O ATOM 1098 CB ILE A 76 -8.974 0.365 -0.265 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.746 -0.346 0.309 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.012 1.817 0.188 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.480 -0.098 -0.481 1.00 0.00 C ATOM 0 H ILE A 76 -10.231 -1.799 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.287 -0.436 1.248 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.906 0.346 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.593 -0.017 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.940 -1.418 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.095 2.319 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.869 2.317 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.100 1.857 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.651 -0.632 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.614 -0.453 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.262 0.970 -0.493 1.00 0.00 H new ATOM 1113 N SER A 77 -12.140 1.101 0.614 1.00 0.00 N ATOM 1114 CA SER A 77 -13.314 1.902 0.286 1.00 0.00 C ATOM 1115 C SER A 77 -13.184 3.312 0.853 1.00 0.00 C ATOM 1116 O SER A 77 -12.919 3.494 2.042 1.00 0.00 O ATOM 1117 CB SER A 77 -14.580 1.236 0.829 1.00 0.00 C ATOM 1118 OG SER A 77 -14.970 0.143 0.016 1.00 0.00 O ATOM 0 H SER A 77 -11.892 1.101 1.603 1.00 0.00 H new ATOM 0 HA SER A 77 -13.386 1.970 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.405 0.891 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.388 1.966 0.874 1.00 0.00 H new ATOM 0 HG SER A 77 -15.780 -0.267 0.385 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.374 4.308 -0.006 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.278 5.703 0.408 1.00 0.00 C ATOM 1126 C PHE A 78 -14.469 6.507 -0.107 1.00 0.00 C ATOM 1127 O PHE A 78 -14.947 6.285 -1.219 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.974 6.320 -0.102 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.928 7.816 0.024 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.016 8.423 1.267 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.799 8.615 -1.100 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.974 9.799 1.386 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.756 9.992 -0.987 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.845 10.585 0.258 1.00 0.00 C ATOM 0 H PHE A 78 -13.595 4.175 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.285 5.733 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.138 5.891 0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.838 6.047 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.119 7.813 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.731 8.157 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.042 10.259 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.653 10.604 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.814 11.661 0.349 1.00 0.00 H new ATOM 1144 N SER A 79 -14.943 7.441 0.711 1.00 0.00 N ATOM 1145 CA SER A 79 -16.081 8.275 0.342 1.00 0.00 C ATOM 1146 C SER A 79 -16.321 9.360 1.387 1.00 0.00 C ATOM 1147 O SER A 79 -16.814 9.085 2.481 1.00 0.00 O ATOM 1148 CB SER A 79 -17.338 7.418 0.181 1.00 0.00 C ATOM 1149 OG SER A 79 -18.475 8.223 -0.075 1.00 0.00 O ATOM 0 H SER A 79 -14.557 7.639 1.634 1.00 0.00 H new ATOM 0 HA SER A 79 -15.854 8.756 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.198 6.711 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.500 6.831 1.085 1.00 0.00 H new ATOM 0 HG SER A 79 -18.619 8.287 -1.042 1.00 0.00 H new ATOM 1155 N SER A 80 -15.970 10.594 1.041 1.00 0.00 N ATOM 1156 CA SER A 80 -16.144 11.721 1.950 1.00 0.00 C ATOM 1157 C SER A 80 -16.927 12.845 1.278 1.00 0.00 C ATOM 1158 O SER A 80 -17.320 12.734 0.116 1.00 0.00 O ATOM 1159 CB SER A 80 -14.783 12.241 2.417 1.00 0.00 C ATOM 1160 OG SER A 80 -14.877 12.834 3.701 1.00 0.00 O ATOM 0 H SER A 80 -15.564 10.839 0.138 1.00 0.00 H new ATOM 0 HA SER A 80 -16.709 11.375 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.066 11.420 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.405 12.972 1.702 1.00 0.00 H new ATOM 0 HG SER A 80 -14.978 12.133 4.378 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.149 13.927 2.017 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.884 15.072 1.493 1.00 0.00 C ATOM 1168 C ILE A 81 -17.039 16.340 1.552 1.00 0.00 C ATOM 1169 O ILE A 81 -17.553 17.448 1.392 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.193 15.304 2.270 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.900 15.500 3.759 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.146 14.136 2.062 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.024 16.178 4.512 1.00 0.00 C ATOM 0 H ILE A 81 -16.831 14.035 2.980 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.124 14.845 0.454 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.668 16.208 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.703 14.529 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.992 16.093 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.067 14.314 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.375 14.038 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.679 13.218 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.747 16.284 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.207 17.163 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.929 15.576 4.435 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.741 16.170 1.780 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.825 17.302 1.856 1.00 0.00 C ATOM 1187 C ILE A 82 -14.061 17.479 0.549 1.00 0.00 C ATOM 1188 O ILE A 82 -13.249 16.634 0.172 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.817 17.133 3.008 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.547 17.102 4.353 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.790 18.255 2.982 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.976 15.715 4.776 1.00 0.00 C ATOM 0 H ILE A 82 -15.300 15.260 1.915 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.432 18.188 2.042 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.294 16.185 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.896 17.522 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.426 17.743 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.085 18.122 3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.252 18.234 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.296 19.214 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.487 15.769 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -15.652 15.300 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -14.099 15.075 4.867 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.325 18.585 -0.139 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.661 18.876 -1.404 1.00 0.00 C ATOM 1206 C LEU A 83 -12.218 19.314 -1.174 1.00 0.00 C ATOM 1207 O LEU A 83 -11.815 19.587 -0.045 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.421 19.964 -2.164 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.914 19.715 -2.379 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.651 21.029 -2.590 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.135 18.782 -3.561 1.00 0.00 C ATOM 0 H LEU A 83 -14.994 19.295 0.159 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.654 17.963 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.304 20.904 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.951 20.094 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.314 19.238 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.712 20.831 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.522 21.664 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.248 21.536 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.203 18.616 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.718 19.232 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.642 17.829 -3.370 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.445 19.380 -2.254 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.056 19.787 -2.149 1.00 0.00 C ATOM 1225 C GLY A 84 -9.112 18.606 -2.048 1.00 0.00 C ATOM 1226 O GLY A 84 -9.456 17.575 -1.472 1.00 0.00 O ATOM 0 H GLY A 84 -11.756 19.159 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.790 20.388 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.932 20.423 -1.273 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.917 18.756 -2.612 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.921 17.692 -2.585 1.00 0.00 C ATOM 1232 C ASN A 85 -6.702 17.187 -1.162 1.00 0.00 C ATOM 1233 O ASN A 85 -6.960 17.900 -0.192 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.597 18.189 -3.170 1.00 0.00 C ATOM 1235 CG ASN A 85 -4.691 18.795 -2.116 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -4.272 18.118 -1.177 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.384 20.078 -2.267 1.00 0.00 N ATOM 0 H ASN A 85 -7.616 19.604 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.292 16.866 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.082 17.359 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.800 18.932 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.778 20.541 -1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.754 20.601 -3.061 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.225 15.952 -1.045 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.972 15.350 0.259 1.00 0.00 C ATOM 1246 C PHE A 86 -4.826 14.346 0.181 1.00 0.00 C ATOM 1247 O PHE A 86 -4.783 13.506 -0.717 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.235 14.661 0.780 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.492 13.324 0.147 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.751 12.213 0.518 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.476 13.176 -0.817 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -6.985 10.981 -0.063 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -8.715 11.947 -1.402 1.00 0.00 C ATOM 1254 CZ PHE A 86 -7.969 10.848 -1.023 1.00 0.00 C ATOM 0 H PHE A 86 -6.006 15.349 -1.838 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.689 16.144 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.151 14.533 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.093 15.309 0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.982 12.311 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.064 14.032 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.399 10.123 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.484 11.846 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.155 9.886 -1.477 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.899 14.440 1.130 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.752 13.540 1.168 1.00 0.00 C ATOM 1266 C GLU A 87 -2.592 12.921 2.553 1.00 0.00 C ATOM 1267 O GLU A 87 -2.341 13.622 3.533 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.475 14.290 0.782 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.347 13.378 0.329 1.00 0.00 C ATOM 1270 CD GLU A 87 0.943 14.131 0.067 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.111 14.643 -1.059 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.783 14.208 0.988 1.00 0.00 O ATOM 0 H GLU A 87 -3.920 15.129 1.882 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.926 12.739 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.705 14.994 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.136 14.877 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.171 12.618 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.649 12.856 -0.579 1.00 0.00 H new ATOM 1279 N GLU A 88 -2.740 11.602 2.626 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.614 10.888 3.891 1.00 0.00 C ATOM 1281 C GLU A 88 -1.641 9.719 3.762 1.00 0.00 C ATOM 1282 O GLU A 88 -1.128 9.444 2.678 1.00 0.00 O ATOM 1283 CB GLU A 88 -3.981 10.379 4.354 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.135 11.280 3.949 1.00 0.00 C ATOM 1285 CD GLU A 88 -6.449 10.865 4.581 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -7.066 9.898 4.086 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.861 11.506 5.570 1.00 0.00 O ATOM 0 H GLU A 88 -2.947 11.006 1.824 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.223 11.584 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.147 9.383 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.973 10.278 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.907 12.307 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.238 11.267 2.864 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.393 9.038 4.876 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.480 7.900 4.887 1.00 0.00 C ATOM 1296 C GLU A 89 -0.898 6.878 5.940 1.00 0.00 C ATOM 1297 O GLU A 89 -0.804 7.133 7.141 1.00 0.00 O ATOM 1298 CB GLU A 89 0.951 8.369 5.156 1.00 0.00 C ATOM 1299 CG GLU A 89 1.405 9.494 4.241 1.00 0.00 C ATOM 1300 CD GLU A 89 2.854 9.881 4.466 1.00 0.00 C ATOM 1301 OE1 GLU A 89 3.308 9.826 5.628 1.00 0.00 O ATOM 1302 OE2 GLU A 89 3.533 10.239 3.482 1.00 0.00 O ATOM 0 H GLU A 89 -1.810 9.254 5.781 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.521 7.424 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.027 8.701 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.629 7.523 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.271 9.189 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.771 10.366 4.401 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.361 5.720 5.481 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.796 4.659 6.382 1.00 0.00 C ATOM 1311 C PHE A 90 -0.646 3.706 6.694 1.00 0.00 C ATOM 1312 O PHE A 90 0.225 3.469 5.855 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.962 3.884 5.766 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.117 4.757 5.365 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.065 5.505 4.199 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.254 4.831 6.153 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.125 6.309 3.827 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.317 5.633 5.786 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.252 6.374 4.622 1.00 0.00 C ATOM 0 H PHE A 90 -1.445 5.492 4.490 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.126 5.120 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.605 3.342 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.311 3.139 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.185 5.459 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.310 4.255 7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.072 6.886 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.198 5.681 6.409 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.081 7.003 4.334 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.648 3.162 7.906 1.00 0.00 N ATOM 1330 CA LEU A 91 0.394 2.234 8.331 1.00 0.00 C ATOM 1331 C LEU A 91 -0.201 0.881 8.707 1.00 0.00 C ATOM 1332 O LEU A 91 -1.331 0.801 9.189 1.00 0.00 O ATOM 1333 CB LEU A 91 1.166 2.813 9.518 1.00 0.00 C ATOM 1334 CG LEU A 91 1.990 4.069 9.235 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.646 4.576 10.510 1.00 0.00 C ATOM 1336 CD2 LEU A 91 3.038 3.790 8.168 1.00 0.00 C ATOM 0 H LEU A 91 -1.360 3.348 8.612 1.00 0.00 H new ATOM 0 HA LEU A 91 1.079 2.088 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.455 3.041 10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.835 2.043 9.901 1.00 0.00 H new ATOM 0 HG LEU A 91 1.320 4.844 8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.228 5.470 10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.877 4.816 11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.304 3.805 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.615 4.695 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.705 2.999 8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.546 3.475 7.248 1.00 0.00 H new ATOM 1348 N VAL A 92 0.568 -0.180 8.486 1.00 0.00 N ATOM 1349 CA VAL A 92 0.119 -1.530 8.804 1.00 0.00 C ATOM 1350 C VAL A 92 0.905 -2.109 9.975 1.00 0.00 C ATOM 1351 O VAL A 92 2.103 -2.369 9.863 1.00 0.00 O ATOM 1352 CB VAL A 92 0.259 -2.469 7.592 1.00 0.00 C ATOM 1353 CG1 VAL A 92 0.090 -3.920 8.017 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.749 -2.100 6.514 1.00 0.00 C ATOM 0 H VAL A 92 1.506 -0.131 8.088 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.934 -1.457 9.077 1.00 0.00 H new ATOM 0 HB VAL A 92 1.260 -2.352 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.192 -4.568 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.854 -4.175 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.897 -4.057 8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.636 -2.774 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.759 -2.187 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.575 -1.074 6.189 1.00 0.00 H new ATOM 1364 N ASN A 93 0.223 -2.308 11.098 1.00 0.00 N ATOM 1365 CA ASN A 93 0.859 -2.857 12.291 1.00 0.00 C ATOM 1366 C ASN A 93 1.154 -4.343 12.115 1.00 0.00 C ATOM 1367 O ASN A 93 0.241 -5.154 11.957 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.036 -2.645 13.514 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.801 -1.337 13.451 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.250 -0.269 13.718 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -2.078 -1.415 13.095 1.00 0.00 N ATOM 0 H ASN A 93 -0.769 -2.098 11.207 1.00 0.00 H new ATOM 0 HA ASN A 93 1.802 -2.333 12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.742 -3.472 13.592 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.576 -2.662 14.416 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.643 -0.568 13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.494 -2.322 12.882 1.00 0.00 H new ATOM 1378 N VAL A 94 2.436 -4.694 12.144 1.00 0.00 N ATOM 1379 CA VAL A 94 2.852 -6.083 11.990 1.00 0.00 C ATOM 1380 C VAL A 94 3.435 -6.629 13.289 1.00 0.00 C ATOM 1381 O VAL A 94 4.171 -5.937 13.990 1.00 0.00 O ATOM 1382 CB VAL A 94 3.896 -6.234 10.868 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.043 -7.694 10.468 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.516 -5.380 9.668 1.00 0.00 C ATOM 0 H VAL A 94 3.204 -4.036 12.273 1.00 0.00 H new ATOM 0 HA VAL A 94 1.961 -6.654 11.727 1.00 0.00 H new ATOM 0 HB VAL A 94 4.859 -5.886 11.243 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.785 -7.781 9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.365 -8.277 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.085 -8.072 10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.265 -5.499 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.543 -5.695 9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.467 -4.333 9.967 1.00 0.00 H new ATOM 1394 N ASN A 95 3.101 -7.877 13.602 1.00 0.00 N ATOM 1395 CA ASN A 95 3.592 -8.518 14.817 1.00 0.00 C ATOM 1396 C ASN A 95 5.113 -8.629 14.797 1.00 0.00 C ATOM 1397 O ASN A 95 5.783 -8.299 15.775 1.00 0.00 O ATOM 1398 CB ASN A 95 2.970 -9.907 14.972 1.00 0.00 C ATOM 1399 CG ASN A 95 3.750 -10.785 15.931 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.103 -10.361 17.032 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.022 -12.017 15.517 1.00 0.00 N ATOM 0 H ASN A 95 2.493 -8.464 13.032 1.00 0.00 H new ATOM 0 HA ASN A 95 3.302 -7.900 15.667 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.945 -9.806 15.328 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.922 -10.392 13.997 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.543 -12.654 16.119 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.710 -12.326 14.597 1.00 0.00 H new ATOM 1408 N GLY A 96 5.653 -9.095 13.675 1.00 0.00 N ATOM 1409 CA GLY A 96 7.091 -9.241 13.548 1.00 0.00 C ATOM 1410 C GLY A 96 7.693 -8.239 12.583 1.00 0.00 C ATOM 1411 O GLY A 96 8.020 -8.580 11.447 1.00 0.00 O ATOM 0 H GLY A 96 5.120 -9.374 12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.553 -9.120 14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.322 -10.251 13.209 1.00 0.00 H new ATOM 1415 N SER A 97 7.837 -6.997 13.036 1.00 0.00 N ATOM 1416 CA SER A 97 8.398 -5.940 12.202 1.00 0.00 C ATOM 1417 C SER A 97 8.635 -4.673 13.019 1.00 0.00 C ATOM 1418 O SER A 97 7.837 -4.300 13.878 1.00 0.00 O ATOM 1419 CB SER A 97 7.465 -5.637 11.029 1.00 0.00 C ATOM 1420 OG SER A 97 8.150 -4.951 9.996 1.00 0.00 O ATOM 0 H SER A 97 7.573 -6.698 13.975 1.00 0.00 H new ATOM 0 HA SER A 97 9.356 -6.287 11.814 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.051 -6.567 10.640 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.625 -5.035 11.375 1.00 0.00 H new ATOM 0 HG SER A 97 7.807 -4.036 9.928 1.00 0.00 H new ATOM 1426 N PRO A 98 9.759 -3.995 12.744 1.00 0.00 N ATOM 1427 CA PRO A 98 10.129 -2.760 13.441 1.00 0.00 C ATOM 1428 C PRO A 98 9.219 -1.592 13.073 1.00 0.00 C ATOM 1429 O PRO A 98 8.808 -0.818 13.937 1.00 0.00 O ATOM 1430 CB PRO A 98 11.558 -2.495 12.961 1.00 0.00 C ATOM 1431 CG PRO A 98 11.644 -3.173 11.637 1.00 0.00 C ATOM 1432 CD PRO A 98 10.756 -4.383 11.732 1.00 0.00 C ATOM 0 HA PRO A 98 10.040 -2.861 14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.754 -1.426 12.872 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.291 -2.897 13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.315 -2.510 10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.671 -3.460 11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.288 -4.614 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.314 -5.268 12.036 1.00 0.00 H new ATOM 1440 N GLU A 99 8.907 -1.474 11.786 1.00 0.00 N ATOM 1441 CA GLU A 99 8.045 -0.400 11.305 1.00 0.00 C ATOM 1442 C GLU A 99 6.941 -0.950 10.408 1.00 0.00 C ATOM 1443 O GLU A 99 7.152 -1.862 9.608 1.00 0.00 O ATOM 1444 CB GLU A 99 8.868 0.641 10.542 1.00 0.00 C ATOM 1445 CG GLU A 99 10.012 1.225 11.352 1.00 0.00 C ATOM 1446 CD GLU A 99 11.191 1.631 10.488 1.00 0.00 C ATOM 1447 OE1 GLU A 99 11.606 0.822 9.632 1.00 0.00 O ATOM 1448 OE2 GLU A 99 11.697 2.759 10.668 1.00 0.00 O ATOM 0 H GLU A 99 9.238 -2.108 11.059 1.00 0.00 H new ATOM 0 HA GLU A 99 7.583 0.076 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.271 0.183 9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.210 1.449 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.655 2.094 11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.342 0.493 12.089 1.00 0.00 H new ATOM 1455 N PRO A 100 5.733 -0.382 10.542 1.00 0.00 N ATOM 1456 CA PRO A 100 4.570 -0.799 9.752 1.00 0.00 C ATOM 1457 C PRO A 100 4.698 -0.410 8.283 1.00 0.00 C ATOM 1458 O PRO A 100 5.355 0.576 7.947 1.00 0.00 O ATOM 1459 CB PRO A 100 3.409 -0.046 10.406 1.00 0.00 C ATOM 1460 CG PRO A 100 4.039 1.148 11.037 1.00 0.00 C ATOM 1461 CD PRO A 100 5.409 0.710 11.475 1.00 0.00 C ATOM 0 HA PRO A 100 4.446 -1.882 9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.660 0.245 9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.903 -0.665 11.147 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.101 1.976 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.451 1.497 11.886 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.131 1.523 11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.410 0.368 12.510 1.00 0.00 H new ATOM 1469 N VAL A 101 4.065 -1.189 7.412 1.00 0.00 N ATOM 1470 CA VAL A 101 4.107 -0.925 5.979 1.00 0.00 C ATOM 1471 C VAL A 101 3.506 0.438 5.654 1.00 0.00 C ATOM 1472 O VAL A 101 2.327 0.686 5.906 1.00 0.00 O ATOM 1473 CB VAL A 101 3.352 -2.008 5.186 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.507 -1.782 3.690 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.843 -3.394 5.577 1.00 0.00 C ATOM 0 H VAL A 101 3.517 -2.008 7.674 1.00 0.00 H new ATOM 0 HA VAL A 101 5.157 -0.936 5.686 1.00 0.00 H new ATOM 0 HB VAL A 101 2.292 -1.940 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.967 -2.557 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.103 -0.805 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.563 -1.822 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.299 -4.147 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.908 -3.476 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.674 -3.553 6.642 1.00 0.00 H new ATOM 1485 N LYS A 102 4.326 1.320 5.091 1.00 0.00 N ATOM 1486 CA LYS A 102 3.877 2.659 4.729 1.00 0.00 C ATOM 1487 C LYS A 102 3.066 2.630 3.437 1.00 0.00 C ATOM 1488 O LYS A 102 3.490 2.048 2.438 1.00 0.00 O ATOM 1489 CB LYS A 102 5.076 3.596 4.569 1.00 0.00 C ATOM 1490 CG LYS A 102 4.689 5.041 4.308 1.00 0.00 C ATOM 1491 CD LYS A 102 4.441 5.794 5.604 1.00 0.00 C ATOM 1492 CE LYS A 102 5.713 6.447 6.122 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.336 7.334 5.102 1.00 0.00 N ATOM 0 H LYS A 102 5.305 1.131 4.876 1.00 0.00 H new ATOM 0 HA LYS A 102 3.238 3.030 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.686 3.549 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.697 3.241 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.481 5.535 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.792 5.072 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.679 6.557 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.051 5.108 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.485 7.026 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.424 5.675 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.813 8.127 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.031 6.793 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.600 7.702 4.466 1.00 0.00 H new ATOM 1507 N LEU A 103 1.898 3.263 3.463 1.00 0.00 N ATOM 1508 CA LEU A 103 1.028 3.311 2.293 1.00 0.00 C ATOM 1509 C LEU A 103 0.429 4.703 2.116 1.00 0.00 C ATOM 1510 O LEU A 103 -0.479 5.098 2.848 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.090 2.275 2.422 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.984 2.096 1.194 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.248 1.330 0.106 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.273 1.382 1.572 1.00 0.00 C ATOM 0 H LEU A 103 1.532 3.750 4.281 1.00 0.00 H new ATOM 0 HA LEU A 103 1.630 3.080 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.360 1.312 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.719 2.552 3.268 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.239 3.083 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.899 1.212 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.647 1.881 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.037 0.347 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.897 1.263 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.038 0.401 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.809 1.970 2.317 1.00 0.00 H new ATOM 1526 N THR A 104 0.943 5.443 1.138 1.00 0.00 N ATOM 1527 CA THR A 104 0.459 6.790 0.864 1.00 0.00 C ATOM 1528 C THR A 104 -0.622 6.777 -0.211 1.00 0.00 C ATOM 1529 O THR A 104 -0.436 6.203 -1.285 1.00 0.00 O ATOM 1530 CB THR A 104 1.603 7.717 0.415 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.713 7.596 1.313 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.139 9.165 0.366 1.00 0.00 C ATOM 0 H THR A 104 1.695 5.132 0.523 1.00 0.00 H new ATOM 0 HA THR A 104 0.038 7.170 1.795 1.00 0.00 H new ATOM 0 HB THR A 104 1.912 7.417 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.437 8.187 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.964 9.801 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.314 9.259 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.806 9.474 1.357 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.750 7.415 0.083 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.859 7.478 -0.861 1.00 0.00 C ATOM 1542 C ILE A 105 -3.147 8.918 -1.275 1.00 0.00 C ATOM 1543 O ILE A 105 -3.528 9.747 -0.449 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.139 6.861 -0.267 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -4.025 5.336 -0.227 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.356 7.285 -1.075 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -5.137 4.667 0.550 1.00 0.00 C ATOM 0 H ILE A 105 -1.920 7.895 0.967 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.561 6.903 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.260 7.225 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.024 4.953 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.068 5.063 0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.253 6.841 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.444 8.371 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.244 6.947 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.992 3.587 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.125 5.022 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.097 4.910 0.094 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.963 9.206 -2.559 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.204 10.545 -3.083 1.00 0.00 C ATOM 1561 C ARG A 106 -4.519 10.598 -3.855 1.00 0.00 C ATOM 1562 O ARG A 106 -4.869 9.662 -4.572 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.050 10.975 -3.991 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.100 10.353 -5.376 1.00 0.00 C ATOM 1565 CD ARG A 106 -1.102 11.008 -6.318 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.267 12.458 -6.367 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.314 13.293 -6.768 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.864 12.823 -7.153 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.540 14.600 -6.784 1.00 0.00 N ATOM 0 H ARG A 106 -2.648 8.531 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.270 11.232 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.061 12.061 -4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.106 10.708 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.888 9.286 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.106 10.452 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.089 10.769 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.224 10.595 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.162 12.851 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.041 11.818 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.594 13.466 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.446 14.965 -6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.192 15.240 -7.092 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.245 11.702 -3.701 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.514 11.857 -4.389 1.00 0.00 C ATOM 1585 C GLY A 107 -7.088 13.252 -4.238 1.00 0.00 C ATOM 1586 O GLY A 107 -6.690 14.001 -3.346 1.00 0.00 O ATOM 0 H GLY A 107 -4.977 12.491 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.379 11.635 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.226 11.130 -3.999 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.024 13.602 -5.114 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.653 14.917 -5.076 1.00 0.00 C ATOM 1592 C CYS A 108 -10.170 14.798 -5.179 1.00 0.00 C ATOM 1593 O CYS A 108 -10.692 14.159 -6.092 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.119 15.793 -6.210 1.00 0.00 C ATOM 1595 SG CYS A 108 -8.552 17.542 -6.059 1.00 0.00 S ATOM 0 H CYS A 108 -8.364 12.993 -5.859 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.408 15.382 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.034 15.700 -6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.503 15.415 -7.158 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.054 18.201 -7.063 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.872 15.418 -4.236 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.330 15.381 -4.220 1.00 0.00 C ATOM 1603 C VAL A 109 -12.918 16.565 -4.980 1.00 0.00 C ATOM 1604 O VAL A 109 -12.487 17.705 -4.804 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.876 15.388 -2.780 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.395 15.322 -2.784 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.286 14.236 -1.981 1.00 0.00 C ATOM 0 H VAL A 109 -10.455 15.952 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.628 14.454 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.579 16.321 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.762 15.328 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.795 16.184 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.718 14.407 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.683 14.256 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.551 13.291 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.201 14.334 -1.948 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.904 16.286 -5.826 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.552 17.328 -6.613 1.00 0.00 C ATOM 1619 C ILE A 110 -16.071 17.205 -6.544 1.00 0.00 C ATOM 1620 O ILE A 110 -16.604 16.141 -6.231 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.110 17.278 -8.087 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.411 15.902 -8.685 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.629 17.601 -8.207 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.344 15.872 -10.196 1.00 0.00 C ATOM 0 H ILE A 110 -14.271 15.348 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.247 18.283 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.671 18.027 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.702 15.177 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.405 15.586 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.332 17.562 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.442 18.600 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.051 16.873 -7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.568 14.866 -10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.072 16.572 -10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.343 16.157 -10.522 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.762 18.301 -6.841 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.213 18.294 -6.808 1.00 0.00 C ATOM 1638 C GLY A 111 -18.822 19.077 -7.954 1.00 0.00 C ATOM 1639 O GLY A 111 -18.289 20.098 -8.389 1.00 0.00 O ATOM 0 H GLY A 111 -16.343 19.193 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.569 17.265 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.554 18.715 -5.862 1.00 0.00 H new ATOM 1643 N PRO A 112 -19.966 18.596 -8.463 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.673 19.242 -9.573 1.00 0.00 C ATOM 1645 C PRO A 112 -21.299 20.571 -9.166 1.00 0.00 C ATOM 1646 O PRO A 112 -20.919 21.628 -9.672 1.00 0.00 O ATOM 1647 CB PRO A 112 -21.760 18.229 -9.940 1.00 0.00 C ATOM 1648 CG PRO A 112 -21.989 17.451 -8.690 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.658 17.383 -7.994 1.00 0.00 C ATOM 0 HA PRO A 112 -20.002 19.484 -10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.672 18.728 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -21.439 17.582 -10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.734 17.936 -8.060 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -22.363 16.452 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.771 17.379 -6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.110 16.479 -8.261 1.00 0.00 H new TER 1657 PRO A 112