USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= -0.0919 K(o=-0.074,f=-1.2) USER MOD Set 1.2: B 116 THR OG1 : rot 94:sc= 0.0182 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.565 USER MOD Set 2.2: A 40 SER OG : rot 83:sc= 0.553 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= 0.0051 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.152) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 141:sc= -7.94! USER MOD Single : A 26 SER OG : rot 170:sc= -1.46 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.938 F(o=-2.6!,f=-0.94) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0711) USER MOD Single : A 46 SER OG : rot 87:sc= 1.17 USER MOD Single : A 48 SER OG : rot 90:sc= -0.582 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0986 F(o=-0.61,f=-0.099) USER MOD Single : A 63 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.0055) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= -0.0672 (180deg=-0.358) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.293 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -139:sc= 1.21 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -21:sc= 0.65 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -3.471 -3.736 -16.482 1.00 0.00 N ATOM 2 CA LYS A 9 -3.293 -2.364 -17.026 1.00 0.00 C ATOM 3 C LYS A 9 -2.319 -1.558 -16.174 1.00 0.00 C ATOM 4 O LYS A 9 -1.589 -0.707 -16.682 1.00 0.00 O ATOM 5 CB LYS A 9 -4.656 -1.673 -17.066 1.00 0.00 C ATOM 6 CG LYS A 9 -4.829 -0.735 -18.248 1.00 0.00 C ATOM 7 CD LYS A 9 -6.297 -0.525 -18.583 1.00 0.00 C ATOM 8 CE LYS A 9 -6.930 0.522 -17.682 1.00 0.00 C ATOM 9 NZ LYS A 9 -8.329 0.168 -17.316 1.00 0.00 N ATOM 0 HA LYS A 9 -2.876 -2.429 -18.031 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.438 -2.432 -17.098 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.796 -1.110 -16.143 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.365 0.225 -18.023 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.311 -1.143 -19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.393 -0.217 -19.624 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.833 -1.468 -18.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.334 0.629 -16.776 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.920 1.488 -18.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.725 0.907 -16.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.905 0.091 -18.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.336 -0.742 -16.812 1.00 0.00 H new ATOM 25 N GLU A 10 -2.315 -1.831 -14.872 1.00 0.00 N ATOM 26 CA GLU A 10 -1.431 -1.131 -13.946 1.00 0.00 C ATOM 27 C GLU A 10 -1.761 0.357 -13.893 1.00 0.00 C ATOM 28 O GLU A 10 -1.775 1.035 -14.920 1.00 0.00 O ATOM 29 CB GLU A 10 0.031 -1.330 -14.352 1.00 0.00 C ATOM 30 CG GLU A 10 0.962 -1.565 -13.174 1.00 0.00 C ATOM 31 CD GLU A 10 2.404 -1.757 -13.601 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.747 -2.872 -14.047 1.00 0.00 O ATOM 33 OE2 GLU A 10 3.189 -0.793 -13.489 1.00 0.00 O ATOM 0 H GLU A 10 -2.914 -2.532 -14.435 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.584 -1.551 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.098 -2.179 -15.033 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.369 -0.452 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.899 -0.718 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.630 -2.445 -12.623 1.00 0.00 H new ATOM 40 N LYS A 11 -2.026 0.855 -12.693 1.00 0.00 N ATOM 41 CA LYS A 11 -2.355 2.263 -12.502 1.00 0.00 C ATOM 42 C LYS A 11 -1.127 3.053 -12.058 1.00 0.00 C ATOM 43 O LYS A 11 -0.376 2.613 -11.188 1.00 0.00 O ATOM 44 CB LYS A 11 -3.475 2.410 -11.468 1.00 0.00 C ATOM 45 CG LYS A 11 -3.862 3.852 -11.188 1.00 0.00 C ATOM 46 CD LYS A 11 -5.286 3.954 -10.663 1.00 0.00 C ATOM 47 CE LYS A 11 -5.379 3.488 -9.219 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.779 3.531 -8.712 1.00 0.00 N ATOM 0 H LYS A 11 -2.020 0.304 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.696 2.665 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.354 1.869 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.161 1.940 -10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.173 4.280 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.767 4.440 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.630 4.986 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.949 3.352 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.995 2.471 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.746 4.117 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.862 4.269 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.426 3.745 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.027 2.609 -8.300 1.00 0.00 H new ATOM 62 N LYS A 12 -0.931 4.221 -12.662 1.00 0.00 N ATOM 63 CA LYS A 12 0.205 5.071 -12.329 1.00 0.00 C ATOM 64 C LYS A 12 -0.181 6.109 -11.279 1.00 0.00 C ATOM 65 O LYS A 12 -1.277 6.667 -11.317 1.00 0.00 O ATOM 66 CB LYS A 12 0.730 5.770 -13.584 1.00 0.00 C ATOM 67 CG LYS A 12 2.077 6.446 -13.385 1.00 0.00 C ATOM 68 CD LYS A 12 2.717 6.816 -14.714 1.00 0.00 C ATOM 69 CE LYS A 12 3.764 5.797 -15.130 1.00 0.00 C ATOM 70 NZ LYS A 12 3.149 4.561 -15.686 1.00 0.00 N ATOM 0 H LYS A 12 -1.544 4.600 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 12 0.992 4.439 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.815 5.039 -14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.003 6.515 -13.906 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.949 7.343 -12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.741 5.781 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.948 6.884 -15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.177 7.801 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.425 6.240 -15.875 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.381 5.539 -14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.889 3.966 -16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.677 4.035 -14.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.451 4.817 -16.413 1.00 0.00 H new ATOM 84 N VAL A 13 0.727 6.360 -10.341 1.00 0.00 N ATOM 85 CA VAL A 13 0.482 7.330 -9.281 1.00 0.00 C ATOM 86 C VAL A 13 1.766 8.058 -8.894 1.00 0.00 C ATOM 87 O VAL A 13 2.829 7.447 -8.782 1.00 0.00 O ATOM 88 CB VAL A 13 -0.111 6.655 -8.029 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.449 7.691 -6.966 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.339 5.836 -8.398 1.00 0.00 C ATOM 0 H VAL A 13 1.639 5.905 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.237 8.051 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 13 0.638 5.980 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.866 7.192 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.456 8.228 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.179 8.396 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.745 5.366 -7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.092 6.489 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.060 5.066 -9.117 1.00 0.00 H new ATOM 100 N PHE A 14 1.659 9.367 -8.691 1.00 0.00 N ATOM 101 CA PHE A 14 2.809 10.180 -8.314 1.00 0.00 C ATOM 102 C PHE A 14 2.530 10.949 -7.026 1.00 0.00 C ATOM 103 O PHE A 14 1.644 11.803 -6.982 1.00 0.00 O ATOM 104 CB PHE A 14 3.163 11.156 -9.437 1.00 0.00 C ATOM 105 CG PHE A 14 1.981 11.916 -9.967 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.046 11.294 -10.780 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.804 13.254 -9.653 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.043 11.991 -11.268 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.718 13.957 -10.139 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.207 13.325 -10.947 1.00 0.00 C ATOM 0 H PHE A 14 0.787 9.888 -8.781 1.00 0.00 H new ATOM 0 HA PHE A 14 3.654 9.513 -8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.906 11.865 -9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.626 10.604 -10.255 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.170 10.252 -11.035 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.523 13.753 -9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.765 11.494 -11.899 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.593 15.000 -9.887 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.057 13.872 -11.327 1.00 0.00 H new ATOM 120 N ILE A 15 3.289 10.640 -5.981 1.00 0.00 N ATOM 121 CA ILE A 15 3.122 11.302 -4.693 1.00 0.00 C ATOM 122 C ILE A 15 4.184 12.375 -4.482 1.00 0.00 C ATOM 123 O ILE A 15 5.380 12.116 -4.612 1.00 0.00 O ATOM 124 CB ILE A 15 3.184 10.292 -3.531 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.189 9.153 -3.760 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.902 10.987 -2.205 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.762 9.626 -3.943 1.00 0.00 C ATOM 0 H ILE A 15 4.026 9.935 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 15 2.138 11.771 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 15 4.189 9.871 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.492 8.588 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.231 8.469 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.950 10.259 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.646 11.766 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.908 11.434 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.111 8.766 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.441 10.166 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.706 10.287 -4.808 1.00 0.00 H new ATOM 139 N SER A 16 3.735 13.582 -4.152 1.00 0.00 N ATOM 140 CA SER A 16 4.641 14.699 -3.917 1.00 0.00 C ATOM 141 C SER A 16 4.223 15.477 -2.674 1.00 0.00 C ATOM 142 O SER A 16 3.053 15.826 -2.515 1.00 0.00 O ATOM 143 CB SER A 16 4.664 15.629 -5.132 1.00 0.00 C ATOM 144 OG SER A 16 3.435 15.578 -5.837 1.00 0.00 O ATOM 0 H SER A 16 2.747 13.811 -4.041 1.00 0.00 H new ATOM 0 HA SER A 16 5.643 14.299 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.859 16.651 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.480 15.344 -5.796 1.00 0.00 H new ATOM 0 HG SER A 16 3.475 16.182 -6.608 1.00 0.00 H new ATOM 150 N LEU A 17 5.182 15.743 -1.793 1.00 0.00 N ATOM 151 CA LEU A 17 4.907 16.477 -0.562 1.00 0.00 C ATOM 152 C LEU A 17 4.236 17.815 -0.863 1.00 0.00 C ATOM 153 O LEU A 17 3.051 17.999 -0.585 1.00 0.00 O ATOM 154 CB LEU A 17 6.201 16.702 0.224 1.00 0.00 C ATOM 155 CG LEU A 17 6.163 16.230 1.678 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.207 14.712 1.746 1.00 0.00 C ATOM 157 CD2 LEU A 17 7.316 16.835 2.464 1.00 0.00 C ATOM 0 H LEU A 17 6.156 15.462 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 17 4.225 15.880 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.014 16.188 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.437 17.766 0.209 1.00 0.00 H new ATOM 0 HG LEU A 17 5.228 16.566 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.179 14.394 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.348 14.299 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.126 14.353 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.274 16.489 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.262 16.528 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.240 17.922 2.443 1.00 0.00 H new ATOM 169 N VAL A 18 5.003 18.741 -1.435 1.00 0.00 N ATOM 170 CA VAL A 18 4.496 20.070 -1.784 1.00 0.00 C ATOM 171 C VAL A 18 3.582 20.634 -0.697 1.00 0.00 C ATOM 172 O VAL A 18 2.368 20.431 -0.725 1.00 0.00 O ATOM 173 CB VAL A 18 3.734 20.055 -3.125 1.00 0.00 C ATOM 174 CG1 VAL A 18 4.708 19.993 -4.291 1.00 0.00 C ATOM 175 CG2 VAL A 18 2.754 18.890 -3.183 1.00 0.00 C ATOM 0 H VAL A 18 5.985 18.595 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 18 5.371 20.713 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 18 3.163 20.980 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.153 19.983 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.362 20.865 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.309 19.087 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.230 18.903 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.298 17.951 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.032 18.981 -2.372 1.00 0.00 H new ATOM 185 N GLY A 19 4.175 21.343 0.258 1.00 0.00 N ATOM 186 CA GLY A 19 3.399 21.927 1.338 1.00 0.00 C ATOM 187 C GLY A 19 3.541 21.160 2.638 1.00 0.00 C ATOM 188 O GLY A 19 2.645 21.188 3.482 1.00 0.00 O ATOM 0 H GLY A 19 5.178 21.524 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.716 22.958 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.348 21.957 1.051 1.00 0.00 H new ATOM 192 N SER A 20 4.667 20.474 2.801 1.00 0.00 N ATOM 193 CA SER A 20 4.922 19.696 4.009 1.00 0.00 C ATOM 194 C SER A 20 3.813 18.677 4.254 1.00 0.00 C ATOM 195 O SER A 20 3.574 18.267 5.390 1.00 0.00 O ATOM 196 CB SER A 20 5.053 20.625 5.218 1.00 0.00 C ATOM 197 OG SER A 20 6.023 21.631 4.985 1.00 0.00 O ATOM 0 H SER A 20 5.418 20.441 2.112 1.00 0.00 H new ATOM 0 HA SER A 20 5.857 19.154 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.089 21.087 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.330 20.045 6.098 1.00 0.00 H new ATOM 0 HG SER A 20 6.087 22.212 5.771 1.00 0.00 H new ATOM 203 N ARG A 21 3.138 18.271 3.183 1.00 0.00 N ATOM 204 CA ARG A 21 2.056 17.298 3.285 1.00 0.00 C ATOM 205 C ARG A 21 2.522 15.921 2.826 1.00 0.00 C ATOM 206 O ARG A 21 2.759 15.700 1.639 1.00 0.00 O ATOM 207 CB ARG A 21 0.857 17.749 2.449 1.00 0.00 C ATOM 208 CG ARG A 21 -0.469 17.183 2.933 1.00 0.00 C ATOM 209 CD ARG A 21 -1.601 18.181 2.753 1.00 0.00 C ATOM 210 NE ARG A 21 -2.545 18.147 3.867 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.637 18.905 3.937 1.00 0.00 C ATOM 212 NH1 ARG A 21 -3.926 19.756 2.962 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.441 18.811 4.988 1.00 0.00 N ATOM 0 H ARG A 21 3.321 18.600 2.235 1.00 0.00 H new ATOM 0 HA ARG A 21 1.756 17.231 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.804 18.838 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.014 17.450 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.698 16.269 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.387 16.911 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.187 19.185 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.129 17.966 1.824 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.356 17.505 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.310 19.832 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.764 20.334 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.222 18.159 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.278 19.391 5.043 1.00 0.00 H new ATOM 227 N GLY A 22 2.658 14.999 3.776 1.00 0.00 N ATOM 228 CA GLY A 22 3.100 13.653 3.452 1.00 0.00 C ATOM 229 C GLY A 22 2.351 13.049 2.279 1.00 0.00 C ATOM 230 O GLY A 22 2.701 13.283 1.122 1.00 0.00 O ATOM 0 H GLY A 22 2.470 15.160 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.166 13.671 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.971 13.014 4.326 1.00 0.00 H new ATOM 234 N LEU A 23 1.321 12.264 2.577 1.00 0.00 N ATOM 235 CA LEU A 23 0.523 11.622 1.541 1.00 0.00 C ATOM 236 C LEU A 23 -0.956 11.634 1.919 1.00 0.00 C ATOM 237 O LEU A 23 -1.794 12.138 1.172 1.00 0.00 O ATOM 238 CB LEU A 23 1.007 10.182 1.330 1.00 0.00 C ATOM 239 CG LEU A 23 0.007 9.243 0.652 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.210 9.648 -0.797 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.487 7.802 0.740 1.00 0.00 C ATOM 0 H LEU A 23 1.020 12.057 3.529 1.00 0.00 H new ATOM 0 HA LEU A 23 0.642 12.177 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.918 10.207 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.274 9.761 2.299 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.947 9.320 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.924 8.968 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.599 10.665 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.738 9.601 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.236 7.147 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.453 7.709 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.588 7.516 1.787 1.00 0.00 H new ATOM 253 N GLY A 24 -1.264 11.066 3.080 1.00 0.00 N ATOM 254 CA GLY A 24 -2.640 11.013 3.537 1.00 0.00 C ATOM 255 C GLY A 24 -3.227 9.618 3.433 1.00 0.00 C ATOM 256 O GLY A 24 -4.444 9.456 3.348 1.00 0.00 O ATOM 0 H GLY A 24 -0.586 10.642 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.690 11.350 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.243 11.704 2.948 1.00 0.00 H new ATOM 260 N CYS A 25 -2.360 8.611 3.437 1.00 0.00 N ATOM 261 CA CYS A 25 -2.800 7.224 3.338 1.00 0.00 C ATOM 262 C CYS A 25 -1.907 6.307 4.165 1.00 0.00 C ATOM 263 O CYS A 25 -0.810 6.691 4.572 1.00 0.00 O ATOM 264 CB CYS A 25 -2.796 6.770 1.878 1.00 0.00 C ATOM 265 SG CYS A 25 -3.982 5.453 1.513 1.00 0.00 S ATOM 0 H CYS A 25 -1.349 8.729 3.508 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.815 7.164 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.014 7.627 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.795 6.426 1.618 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.523 5.666 0.350 1.00 0.00 H new ATOM 271 N SER A 26 -2.381 5.089 4.406 1.00 0.00 N ATOM 272 CA SER A 26 -1.626 4.112 5.178 1.00 0.00 C ATOM 273 C SER A 26 -1.241 2.924 4.302 1.00 0.00 C ATOM 274 O SER A 26 -1.661 2.835 3.150 1.00 0.00 O ATOM 275 CB SER A 26 -2.445 3.631 6.379 1.00 0.00 C ATOM 276 OG SER A 26 -2.247 4.472 7.501 1.00 0.00 O ATOM 0 H SER A 26 -3.287 4.756 4.076 1.00 0.00 H new ATOM 0 HA SER A 26 -0.717 4.591 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.503 3.612 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.160 2.610 6.632 1.00 0.00 H new ATOM 0 HG SER A 26 -2.896 4.244 8.199 1.00 0.00 H new ATOM 282 N ILE A 27 -0.439 2.018 4.848 1.00 0.00 N ATOM 283 CA ILE A 27 -0.009 0.842 4.103 1.00 0.00 C ATOM 284 C ILE A 27 0.068 -0.387 5.001 1.00 0.00 C ATOM 285 O ILE A 27 0.404 -0.288 6.181 1.00 0.00 O ATOM 286 CB ILE A 27 1.360 1.064 3.432 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.362 1.640 4.431 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.219 1.985 2.230 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.758 1.778 3.865 1.00 0.00 C ATOM 0 H ILE A 27 -0.075 2.075 5.799 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.758 0.674 3.329 1.00 0.00 H new ATOM 0 HB ILE A 27 1.734 0.100 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.013 2.618 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.396 0.999 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.195 2.132 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.538 1.537 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.823 2.947 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.420 2.193 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.125 0.798 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.736 2.443 3.001 1.00 0.00 H new ATOM 301 N SER A 28 -0.250 -1.544 4.430 1.00 0.00 N ATOM 302 CA SER A 28 -0.226 -2.802 5.171 1.00 0.00 C ATOM 303 C SER A 28 0.596 -3.851 4.430 1.00 0.00 C ATOM 304 O SER A 28 0.856 -3.717 3.235 1.00 0.00 O ATOM 305 CB SER A 28 -1.651 -3.315 5.394 1.00 0.00 C ATOM 306 OG SER A 28 -2.593 -2.260 5.310 1.00 0.00 O ATOM 0 H SER A 28 -0.528 -1.638 3.453 1.00 0.00 H new ATOM 0 HA SER A 28 0.240 -2.618 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.887 -4.077 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.720 -3.791 6.372 1.00 0.00 H new ATOM 0 HG SER A 28 -3.495 -2.615 5.455 1.00 0.00 H new ATOM 312 N SER A 29 1.005 -4.893 5.146 1.00 0.00 N ATOM 313 CA SER A 29 1.801 -5.964 4.554 1.00 0.00 C ATOM 314 C SER A 29 0.950 -7.211 4.333 1.00 0.00 C ATOM 315 O SER A 29 0.088 -7.541 5.148 1.00 0.00 O ATOM 316 CB SER A 29 2.996 -6.296 5.451 1.00 0.00 C ATOM 317 OG SER A 29 4.214 -5.902 4.843 1.00 0.00 O ATOM 0 H SER A 29 0.799 -5.019 6.137 1.00 0.00 H new ATOM 0 HA SER A 29 2.169 -5.621 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.885 -5.792 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.017 -7.367 5.654 1.00 0.00 H new ATOM 0 HG SER A 29 4.962 -6.123 5.436 1.00 0.00 H new ATOM 323 N GLY A 30 1.191 -7.897 3.219 1.00 0.00 N ATOM 324 CA GLY A 30 0.433 -9.094 2.906 1.00 0.00 C ATOM 325 C GLY A 30 1.104 -10.363 3.396 1.00 0.00 C ATOM 326 O GLY A 30 2.237 -10.325 3.875 1.00 0.00 O ATOM 0 H GLY A 30 1.898 -7.645 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.558 -9.017 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.292 -9.157 1.827 1.00 0.00 H new ATOM 330 N PRO A 31 0.418 -11.516 3.287 1.00 0.00 N ATOM 331 CA PRO A 31 0.961 -12.806 3.728 1.00 0.00 C ATOM 332 C PRO A 31 2.139 -13.268 2.873 1.00 0.00 C ATOM 333 O PRO A 31 2.708 -12.489 2.109 1.00 0.00 O ATOM 334 CB PRO A 31 -0.224 -13.765 3.568 1.00 0.00 C ATOM 335 CG PRO A 31 -1.092 -13.131 2.539 1.00 0.00 C ATOM 336 CD PRO A 31 -0.940 -11.648 2.730 1.00 0.00 C ATOM 0 HA PRO A 31 1.352 -12.754 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.108 -14.754 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.757 -13.895 4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.789 -13.429 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.131 -13.436 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.043 -11.108 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.694 -11.250 3.409 1.00 0.00 H new ATOM 344 N ILE A 32 2.496 -14.540 3.011 1.00 0.00 N ATOM 345 CA ILE A 32 3.606 -15.113 2.256 1.00 0.00 C ATOM 346 C ILE A 32 3.173 -15.502 0.844 1.00 0.00 C ATOM 347 O ILE A 32 3.994 -15.558 -0.072 1.00 0.00 O ATOM 348 CB ILE A 32 4.183 -16.352 2.966 1.00 0.00 C ATOM 349 CG1 ILE A 32 4.517 -16.027 4.424 1.00 0.00 C ATOM 350 CG2 ILE A 32 5.420 -16.857 2.235 1.00 0.00 C ATOM 351 CD1 ILE A 32 4.121 -17.119 5.392 1.00 0.00 C ATOM 0 H ILE A 32 2.032 -15.196 3.640 1.00 0.00 H new ATOM 0 HA ILE A 32 4.377 -14.345 2.194 1.00 0.00 H new ATOM 0 HB ILE A 32 3.429 -17.139 2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.588 -15.846 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.014 -15.102 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.815 -17.733 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.154 -17.126 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.178 -16.074 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.387 -16.821 6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.045 -17.285 5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.644 -18.040 5.135 1.00 0.00 H new ATOM 363 N GLN A 33 1.884 -15.774 0.677 1.00 0.00 N ATOM 364 CA GLN A 33 1.348 -16.160 -0.624 1.00 0.00 C ATOM 365 C GLN A 33 1.190 -14.946 -1.542 1.00 0.00 C ATOM 366 O GLN A 33 0.846 -15.089 -2.716 1.00 0.00 O ATOM 367 CB GLN A 33 0.002 -16.863 -0.454 1.00 0.00 C ATOM 368 CG GLN A 33 0.117 -18.253 0.151 1.00 0.00 C ATOM 369 CD GLN A 33 0.173 -18.228 1.667 1.00 0.00 C ATOM 370 OE1 GLN A 33 1.223 -18.459 2.265 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.964 -17.947 2.295 1.00 0.00 N ATOM 0 H GLN A 33 1.191 -15.735 1.425 1.00 0.00 H new ATOM 0 HA GLN A 33 2.057 -16.847 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.641 -16.252 0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.486 -16.937 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.734 -18.855 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.013 -18.739 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.811 -17.762 1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.990 -17.916 3.314 1.00 0.00 H new ATOM 380 N LYS A 34 1.442 -13.755 -1.005 1.00 0.00 N ATOM 381 CA LYS A 34 1.325 -12.528 -1.782 1.00 0.00 C ATOM 382 C LYS A 34 1.879 -11.337 -1.001 1.00 0.00 C ATOM 383 O LYS A 34 1.164 -10.372 -0.730 1.00 0.00 O ATOM 384 CB LYS A 34 -0.138 -12.276 -2.158 1.00 0.00 C ATOM 385 CG LYS A 34 -0.318 -11.695 -3.551 1.00 0.00 C ATOM 386 CD LYS A 34 -1.791 -11.542 -3.901 1.00 0.00 C ATOM 387 CE LYS A 34 -1.976 -11.076 -5.337 1.00 0.00 C ATOM 388 NZ LYS A 34 -3.094 -11.791 -6.013 1.00 0.00 N ATOM 0 H LYS A 34 1.728 -13.615 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 34 1.910 -12.644 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.688 -13.215 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.579 -11.595 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.174 -10.724 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.166 -12.342 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.301 -12.495 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.255 -10.826 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.171 -10.004 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.053 -11.238 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.187 -11.445 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.896 -12.812 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.980 -11.616 -5.497 1.00 0.00 H new ATOM 402 N PRO A 35 3.169 -11.393 -0.624 1.00 0.00 N ATOM 403 CA PRO A 35 3.819 -10.317 0.133 1.00 0.00 C ATOM 404 C PRO A 35 4.004 -9.053 -0.700 1.00 0.00 C ATOM 405 O PRO A 35 4.261 -9.121 -1.901 1.00 0.00 O ATOM 406 CB PRO A 35 5.176 -10.914 0.507 1.00 0.00 C ATOM 407 CG PRO A 35 5.437 -11.946 -0.536 1.00 0.00 C ATOM 408 CD PRO A 35 4.092 -12.508 -0.903 1.00 0.00 C ATOM 0 HA PRO A 35 3.224 -10.007 0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.955 -10.152 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.153 -11.355 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.928 -11.508 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.097 -12.727 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.054 -12.809 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.849 -13.389 -0.309 1.00 0.00 H new ATOM 416 N GLY A 36 3.872 -7.901 -0.050 1.00 0.00 N ATOM 417 CA GLY A 36 4.028 -6.636 -0.744 1.00 0.00 C ATOM 418 C GLY A 36 3.451 -5.475 0.041 1.00 0.00 C ATOM 419 O GLY A 36 2.842 -5.673 1.092 1.00 0.00 O ATOM 0 H GLY A 36 3.660 -7.821 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.086 -6.455 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.538 -6.694 -1.716 1.00 0.00 H new ATOM 423 N ILE A 37 3.642 -4.264 -0.468 1.00 0.00 N ATOM 424 CA ILE A 37 3.133 -3.070 0.196 1.00 0.00 C ATOM 425 C ILE A 37 1.722 -2.745 -0.277 1.00 0.00 C ATOM 426 O ILE A 37 1.507 -2.407 -1.441 1.00 0.00 O ATOM 427 CB ILE A 37 4.044 -1.851 -0.048 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.516 -2.255 0.070 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.715 -0.740 0.936 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.862 -2.894 1.398 1.00 0.00 C ATOM 0 H ILE A 37 4.145 -4.083 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 37 3.117 -3.284 1.265 1.00 0.00 H new ATOM 0 HB ILE A 37 3.868 -1.480 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.759 -2.951 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.139 -1.372 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.366 0.114 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.675 -0.438 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.867 -1.099 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.920 -3.155 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.651 -2.193 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.265 -3.795 1.535 1.00 0.00 H new ATOM 442 N PHE A 38 0.762 -2.855 0.635 1.00 0.00 N ATOM 443 CA PHE A 38 -0.632 -2.578 0.317 1.00 0.00 C ATOM 444 C PHE A 38 -1.047 -1.206 0.829 1.00 0.00 C ATOM 445 O PHE A 38 -0.291 -0.543 1.539 1.00 0.00 O ATOM 446 CB PHE A 38 -1.535 -3.660 0.915 1.00 0.00 C ATOM 447 CG PHE A 38 -1.167 -5.051 0.478 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.049 -5.607 0.842 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.038 -5.800 -0.296 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.391 -6.883 0.439 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.701 -7.078 -0.701 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.485 -7.620 -0.332 1.00 0.00 C ATOM 0 H PHE A 38 0.925 -3.135 1.602 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.741 -2.583 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.486 -3.604 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.568 -3.459 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.737 -5.036 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.990 -5.381 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.343 -7.304 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.388 -7.652 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.220 -8.619 -0.646 1.00 0.00 H new ATOM 462 N ILE A 39 -2.253 -0.783 0.461 1.00 0.00 N ATOM 463 CA ILE A 39 -2.767 0.514 0.876 1.00 0.00 C ATOM 464 C ILE A 39 -3.892 0.362 1.898 1.00 0.00 C ATOM 465 O ILE A 39 -4.781 -0.476 1.744 1.00 0.00 O ATOM 466 CB ILE A 39 -3.276 1.325 -0.336 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.103 1.729 -1.231 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.049 2.555 0.119 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.196 2.769 -0.608 1.00 0.00 C ATOM 0 H ILE A 39 -2.891 -1.322 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.941 1.053 1.340 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.954 0.694 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.516 0.842 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.492 2.115 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.397 3.109 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.906 2.245 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.399 3.192 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.387 3.007 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.769 3.671 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.778 2.378 0.320 1.00 0.00 H new ATOM 481 N SER A 40 -3.842 1.188 2.937 1.00 0.00 N ATOM 482 CA SER A 40 -4.848 1.171 3.990 1.00 0.00 C ATOM 483 C SER A 40 -5.770 2.379 3.863 1.00 0.00 C ATOM 484 O SER A 40 -5.735 3.094 2.862 1.00 0.00 O ATOM 485 CB SER A 40 -4.177 1.160 5.366 1.00 0.00 C ATOM 486 OG SER A 40 -4.408 -0.068 6.036 1.00 0.00 O ATOM 0 H SER A 40 -3.108 1.883 3.072 1.00 0.00 H new ATOM 0 HA SER A 40 -5.445 0.265 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.105 1.320 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.560 1.984 5.968 1.00 0.00 H new ATOM 0 HG SER A 40 -3.759 -0.735 5.729 1.00 0.00 H new ATOM 492 N HIS A 41 -6.592 2.602 4.885 1.00 0.00 N ATOM 493 CA HIS A 41 -7.526 3.727 4.890 1.00 0.00 C ATOM 494 C HIS A 41 -6.846 5.012 4.421 1.00 0.00 C ATOM 495 O HIS A 41 -5.661 5.228 4.677 1.00 0.00 O ATOM 496 CB HIS A 41 -8.106 3.929 6.290 1.00 0.00 C ATOM 497 CG HIS A 41 -9.052 2.846 6.706 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.256 2.478 6.204 1.00 0.00 N flip ATOM 499 CD2 HIS A 41 -8.803 1.992 7.761 1.00 0.00 C flip ATOM 500 CE1 HIS A 41 -10.705 1.422 6.957 1.00 0.00 C flip ATOM 501 NE2 HIS A 41 -9.812 1.148 7.889 1.00 0.00 N flip ATOM 0 H HIS A 41 -6.631 2.019 5.721 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.334 3.493 4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.289 3.983 7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.625 4.887 6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.921 2.010 8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.639 0.900 6.810 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.888 0.410 8.589 1.00 0.00 H new ATOM 510 N VAL A 42 -7.602 5.857 3.728 1.00 0.00 N ATOM 511 CA VAL A 42 -7.071 7.118 3.220 1.00 0.00 C ATOM 512 C VAL A 42 -7.733 8.308 3.907 1.00 0.00 C ATOM 513 O VAL A 42 -8.883 8.226 4.341 1.00 0.00 O ATOM 514 CB VAL A 42 -7.271 7.245 1.695 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.274 8.233 1.110 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.145 5.887 1.017 1.00 0.00 C ATOM 0 H VAL A 42 -8.584 5.692 3.505 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.003 7.120 3.438 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.278 7.621 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.428 8.311 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.419 9.211 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.260 7.886 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.290 6.002 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.154 5.476 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.901 5.210 1.415 1.00 0.00 H new ATOM 526 N LYS A 43 -7.000 9.413 4.004 1.00 0.00 N ATOM 527 CA LYS A 43 -7.516 10.618 4.640 1.00 0.00 C ATOM 528 C LYS A 43 -7.869 11.677 3.595 1.00 0.00 C ATOM 529 O LYS A 43 -7.024 12.066 2.789 1.00 0.00 O ATOM 530 CB LYS A 43 -6.487 11.185 5.621 1.00 0.00 C ATOM 531 CG LYS A 43 -5.843 10.131 6.507 1.00 0.00 C ATOM 532 CD LYS A 43 -4.532 10.624 7.095 1.00 0.00 C ATOM 533 CE LYS A 43 -4.137 9.825 8.326 1.00 0.00 C ATOM 534 NZ LYS A 43 -4.963 10.185 9.511 1.00 0.00 N ATOM 0 H LYS A 43 -6.047 9.498 3.650 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.421 10.350 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.708 11.700 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.971 11.931 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.527 9.864 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.665 9.226 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.745 10.550 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.624 11.678 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.245 8.761 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.085 10.000 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.529 9.791 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.018 11.220 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.921 9.796 9.398 1.00 0.00 H new ATOM 548 N PRO A 44 -9.125 12.164 3.593 1.00 0.00 N ATOM 549 CA PRO A 44 -9.570 13.184 2.638 1.00 0.00 C ATOM 550 C PRO A 44 -8.679 14.422 2.662 1.00 0.00 C ATOM 551 O PRO A 44 -7.963 14.663 3.634 1.00 0.00 O ATOM 552 CB PRO A 44 -10.983 13.532 3.113 1.00 0.00 C ATOM 553 CG PRO A 44 -11.436 12.334 3.873 1.00 0.00 C ATOM 554 CD PRO A 44 -10.203 11.764 4.516 1.00 0.00 C ATOM 0 HA PRO A 44 -9.533 12.823 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.981 14.422 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.643 13.739 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.178 12.605 4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.904 11.605 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.047 12.168 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.266 10.680 4.616 1.00 0.00 H new ATOM 562 N GLY A 45 -8.727 15.203 1.589 1.00 0.00 N ATOM 563 CA GLY A 45 -7.919 16.405 1.509 1.00 0.00 C ATOM 564 C GLY A 45 -6.437 16.119 1.656 1.00 0.00 C ATOM 565 O GLY A 45 -5.750 16.753 2.456 1.00 0.00 O ATOM 0 H GLY A 45 -9.312 15.025 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.098 16.896 0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.231 17.101 2.288 1.00 0.00 H new ATOM 569 N SER A 46 -5.944 15.158 0.882 1.00 0.00 N ATOM 570 CA SER A 46 -4.536 14.783 0.928 1.00 0.00 C ATOM 571 C SER A 46 -4.007 14.482 -0.470 1.00 0.00 C ATOM 572 O SER A 46 -4.707 14.678 -1.463 1.00 0.00 O ATOM 573 CB SER A 46 -4.342 13.565 1.833 1.00 0.00 C ATOM 574 OG SER A 46 -5.134 13.667 3.003 1.00 0.00 O ATOM 0 H SER A 46 -6.500 14.624 0.214 1.00 0.00 H new ATOM 0 HA SER A 46 -3.974 15.624 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.607 12.658 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.291 13.476 2.108 1.00 0.00 H new ATOM 0 HG SER A 46 -6.029 13.309 2.825 1.00 0.00 H new ATOM 580 N LEU A 47 -2.770 14.002 -0.541 1.00 0.00 N ATOM 581 CA LEU A 47 -2.153 13.674 -1.821 1.00 0.00 C ATOM 582 C LEU A 47 -2.666 12.337 -2.343 1.00 0.00 C ATOM 583 O LEU A 47 -2.955 12.194 -3.531 1.00 0.00 O ATOM 584 CB LEU A 47 -0.631 13.634 -1.686 1.00 0.00 C ATOM 585 CG LEU A 47 0.033 14.997 -1.479 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.298 14.853 -0.651 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.339 15.647 -2.820 1.00 0.00 C ATOM 0 H LEU A 47 -2.176 13.832 0.271 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.424 14.451 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.372 12.989 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.213 13.175 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.659 15.641 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.757 15.832 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.050 14.429 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.997 14.194 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.811 16.616 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.013 15.007 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.588 15.785 -3.377 1.00 0.00 H new ATOM 599 N SER A 48 -2.782 11.358 -1.449 1.00 0.00 N ATOM 600 CA SER A 48 -3.267 10.033 -1.826 1.00 0.00 C ATOM 601 C SER A 48 -4.601 10.139 -2.560 1.00 0.00 C ATOM 602 O SER A 48 -4.841 9.436 -3.540 1.00 0.00 O ATOM 603 CB SER A 48 -3.426 9.153 -0.585 1.00 0.00 C ATOM 604 OG SER A 48 -3.476 9.938 0.595 1.00 0.00 O ATOM 0 H SER A 48 -2.548 11.457 -0.461 1.00 0.00 H new ATOM 0 HA SER A 48 -2.535 9.578 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.337 8.560 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.594 8.452 -0.524 1.00 0.00 H new ATOM 0 HG SER A 48 -4.406 10.178 0.789 1.00 0.00 H new ATOM 610 N ALA A 49 -5.458 11.034 -2.082 1.00 0.00 N ATOM 611 CA ALA A 49 -6.762 11.245 -2.693 1.00 0.00 C ATOM 612 C ALA A 49 -6.619 11.968 -4.025 1.00 0.00 C ATOM 613 O ALA A 49 -7.343 11.686 -4.981 1.00 0.00 O ATOM 614 CB ALA A 49 -7.659 12.040 -1.758 1.00 0.00 C ATOM 0 H ALA A 49 -5.271 11.625 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.218 10.272 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.631 12.191 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.788 11.492 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.202 13.008 -1.551 1.00 0.00 H new ATOM 620 N GLU A 50 -5.677 12.903 -4.077 1.00 0.00 N ATOM 621 CA GLU A 50 -5.428 13.673 -5.288 1.00 0.00 C ATOM 622 C GLU A 50 -5.032 12.756 -6.442 1.00 0.00 C ATOM 623 O GLU A 50 -5.415 12.985 -7.589 1.00 0.00 O ATOM 624 CB GLU A 50 -4.326 14.706 -5.037 1.00 0.00 C ATOM 625 CG GLU A 50 -4.852 16.110 -4.792 1.00 0.00 C ATOM 626 CD GLU A 50 -4.685 17.014 -5.998 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.159 16.640 -7.090 1.00 0.00 O ATOM 628 OE2 GLU A 50 -4.078 18.095 -5.848 1.00 0.00 O ATOM 0 H GLU A 50 -5.072 13.146 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.348 14.191 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.736 14.393 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.654 14.724 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.908 16.057 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.330 16.546 -3.940 1.00 0.00 H new ATOM 635 N VAL A 51 -4.267 11.716 -6.126 1.00 0.00 N ATOM 636 CA VAL A 51 -3.821 10.763 -7.135 1.00 0.00 C ATOM 637 C VAL A 51 -4.892 9.713 -7.409 1.00 0.00 C ATOM 638 O VAL A 51 -4.992 9.189 -8.519 1.00 0.00 O ATOM 639 CB VAL A 51 -2.523 10.055 -6.704 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.377 11.050 -6.606 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.721 9.328 -5.382 1.00 0.00 C ATOM 0 H VAL A 51 -3.944 11.512 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.631 11.331 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.268 9.316 -7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.469 10.530 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.218 11.518 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.622 11.816 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.792 8.835 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.004 10.045 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.509 8.583 -5.491 1.00 0.00 H new ATOM 651 N GLY A 52 -5.690 9.409 -6.391 1.00 0.00 N ATOM 652 CA GLY A 52 -6.742 8.422 -6.543 1.00 0.00 C ATOM 653 C GLY A 52 -6.409 7.109 -5.861 1.00 0.00 C ATOM 654 O GLY A 52 -6.480 6.047 -6.478 1.00 0.00 O ATOM 0 H GLY A 52 -5.627 9.829 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.670 8.818 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.917 8.243 -7.604 1.00 0.00 H new ATOM 658 N LEU A 53 -6.046 7.184 -4.585 1.00 0.00 N ATOM 659 CA LEU A 53 -5.701 5.993 -3.819 1.00 0.00 C ATOM 660 C LEU A 53 -6.889 5.516 -2.988 1.00 0.00 C ATOM 661 O LEU A 53 -7.860 6.249 -2.796 1.00 0.00 O ATOM 662 CB LEU A 53 -4.507 6.276 -2.905 1.00 0.00 C ATOM 663 CG LEU A 53 -3.136 6.058 -3.546 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.037 6.630 -2.663 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.897 4.577 -3.803 1.00 0.00 C ATOM 0 H LEU A 53 -5.983 8.056 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.433 5.205 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.570 7.308 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.585 5.639 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.116 6.581 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.068 6.466 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.198 7.700 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.056 6.135 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.917 4.440 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.937 4.033 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.666 4.195 -4.475 1.00 0.00 H new ATOM 677 N GLU A 54 -6.804 4.284 -2.497 1.00 0.00 N ATOM 678 CA GLU A 54 -7.871 3.708 -1.685 1.00 0.00 C ATOM 679 C GLU A 54 -7.477 2.327 -1.175 1.00 0.00 C ATOM 680 O GLU A 54 -6.552 1.702 -1.695 1.00 0.00 O ATOM 681 CB GLU A 54 -9.166 3.618 -2.498 1.00 0.00 C ATOM 682 CG GLU A 54 -10.338 4.345 -1.858 1.00 0.00 C ATOM 683 CD GLU A 54 -11.338 3.396 -1.226 1.00 0.00 C ATOM 684 OE1 GLU A 54 -10.938 2.275 -0.852 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.522 3.776 -1.106 1.00 0.00 O ATOM 0 H GLU A 54 -6.007 3.665 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.036 4.359 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.991 4.032 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.429 2.569 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.964 5.031 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.842 4.949 -2.613 1.00 0.00 H new ATOM 692 N ILE A 55 -8.182 1.854 -0.151 1.00 0.00 N ATOM 693 CA ILE A 55 -7.902 0.545 0.427 1.00 0.00 C ATOM 694 C ILE A 55 -8.019 -0.552 -0.625 1.00 0.00 C ATOM 695 O ILE A 55 -8.904 -0.516 -1.480 1.00 0.00 O ATOM 696 CB ILE A 55 -8.859 0.227 1.595 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.876 1.382 2.600 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.454 -1.072 2.280 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.264 1.739 3.087 1.00 0.00 C ATOM 0 H ILE A 55 -8.950 2.357 0.294 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.880 0.577 0.806 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.865 0.103 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.256 1.117 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.424 2.261 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.140 -1.280 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.491 -1.890 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.440 -0.977 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.200 2.565 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.882 2.036 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.711 0.874 3.577 1.00 0.00 H new ATOM 711 N GLY A 56 -7.117 -1.526 -0.558 1.00 0.00 N ATOM 712 CA GLY A 56 -7.131 -2.618 -1.514 1.00 0.00 C ATOM 713 C GLY A 56 -5.981 -2.536 -2.495 1.00 0.00 C ATOM 714 O GLY A 56 -5.410 -3.555 -2.881 1.00 0.00 O ATOM 0 H GLY A 56 -6.376 -1.579 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.083 -3.567 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.074 -2.607 -2.061 1.00 0.00 H new ATOM 718 N ASP A 57 -5.635 -1.319 -2.897 1.00 0.00 N ATOM 719 CA ASP A 57 -4.542 -1.104 -3.836 1.00 0.00 C ATOM 720 C ASP A 57 -3.234 -1.654 -3.274 1.00 0.00 C ATOM 721 O ASP A 57 -3.077 -1.787 -2.061 1.00 0.00 O ATOM 722 CB ASP A 57 -4.392 0.387 -4.143 1.00 0.00 C ATOM 723 CG ASP A 57 -5.440 0.886 -5.118 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.463 0.191 -5.300 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.240 1.974 -5.701 1.00 0.00 O ATOM 0 H ASP A 57 -6.097 -0.464 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.775 -1.635 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.463 0.955 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.400 0.572 -4.554 1.00 0.00 H new ATOM 730 N GLN A 58 -2.300 -1.973 -4.163 1.00 0.00 N ATOM 731 CA GLN A 58 -1.009 -2.510 -3.749 1.00 0.00 C ATOM 732 C GLN A 58 0.122 -1.933 -4.593 1.00 0.00 C ATOM 733 O GLN A 58 0.158 -2.116 -5.810 1.00 0.00 O ATOM 734 CB GLN A 58 -1.010 -4.037 -3.857 1.00 0.00 C ATOM 735 CG GLN A 58 0.249 -4.688 -3.306 1.00 0.00 C ATOM 736 CD GLN A 58 0.852 -5.699 -4.261 1.00 0.00 C ATOM 737 OE1 GLN A 58 2.035 -5.390 -4.780 1.00 0.00 O flip ATOM 738 NE2 GLN A 58 0.261 -6.744 -4.532 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.412 -1.870 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.844 -2.223 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.875 -4.430 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.126 -4.319 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.987 -3.916 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.015 -5.181 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.646 -6.941 -4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.679 -7.413 -5.179 1.00 0.00 H new ATOM 747 N ILE A 59 1.049 -1.242 -3.939 1.00 0.00 N ATOM 748 CA ILE A 59 2.184 -0.645 -4.633 1.00 0.00 C ATOM 749 C ILE A 59 3.133 -1.725 -5.137 1.00 0.00 C ATOM 750 O ILE A 59 3.706 -2.479 -4.350 1.00 0.00 O ATOM 751 CB ILE A 59 2.962 0.322 -3.716 1.00 0.00 C ATOM 752 CG1 ILE A 59 2.007 1.330 -3.073 1.00 0.00 C ATOM 753 CG2 ILE A 59 4.049 1.042 -4.501 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.512 1.889 -1.761 1.00 0.00 C ATOM 0 H ILE A 59 1.037 -1.082 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 59 1.786 -0.083 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 59 3.437 -0.258 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.838 2.152 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.043 0.850 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.588 1.720 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.744 0.311 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.595 1.611 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.785 2.596 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.654 1.076 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.462 2.398 -1.924 1.00 0.00 H new ATOM 766 N VAL A 60 3.287 -1.802 -6.455 1.00 0.00 N ATOM 767 CA VAL A 60 4.158 -2.797 -7.063 1.00 0.00 C ATOM 768 C VAL A 60 5.506 -2.199 -7.464 1.00 0.00 C ATOM 769 O VAL A 60 6.466 -2.926 -7.717 1.00 0.00 O ATOM 770 CB VAL A 60 3.497 -3.437 -8.301 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.169 -4.078 -7.922 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.303 -2.404 -9.406 1.00 0.00 C ATOM 0 H VAL A 60 2.819 -1.187 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 60 4.327 -3.566 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 60 4.159 -4.215 -8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.715 -4.525 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.339 -4.850 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.501 -3.318 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.835 -2.878 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.664 -1.599 -9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.271 -1.996 -9.696 1.00 0.00 H new ATOM 782 N GLU A 61 5.574 -0.870 -7.521 1.00 0.00 N ATOM 783 CA GLU A 61 6.809 -0.187 -7.892 1.00 0.00 C ATOM 784 C GLU A 61 6.842 1.230 -7.328 1.00 0.00 C ATOM 785 O GLU A 61 5.806 1.876 -7.180 1.00 0.00 O ATOM 786 CB GLU A 61 6.954 -0.144 -9.415 1.00 0.00 C ATOM 787 CG GLU A 61 8.397 -0.064 -9.886 1.00 0.00 C ATOM 788 CD GLU A 61 8.527 -0.188 -11.391 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.521 0.043 -12.095 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.634 -0.517 -11.867 1.00 0.00 O ATOM 0 H GLU A 61 4.792 -0.248 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 61 7.643 -0.746 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.490 -1.034 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.407 0.716 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.828 0.884 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.975 -0.855 -9.409 1.00 0.00 H new ATOM 797 N VAL A 62 8.043 1.707 -7.012 1.00 0.00 N ATOM 798 CA VAL A 62 8.215 3.047 -6.464 1.00 0.00 C ATOM 799 C VAL A 62 9.543 3.654 -6.906 1.00 0.00 C ATOM 800 O VAL A 62 10.604 3.282 -6.407 1.00 0.00 O ATOM 801 CB VAL A 62 8.157 3.039 -4.924 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.229 4.459 -4.373 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.897 2.334 -4.441 1.00 0.00 C ATOM 0 H VAL A 62 8.911 1.184 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 62 7.393 3.652 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 62 9.021 2.489 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.186 4.429 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.163 4.924 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.389 5.040 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.873 2.338 -3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.019 2.854 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.895 1.305 -4.800 1.00 0.00 H new ATOM 813 N ASN A 63 9.475 4.594 -7.847 1.00 0.00 N ATOM 814 CA ASN A 63 10.672 5.255 -8.356 1.00 0.00 C ATOM 815 C ASN A 63 11.676 4.238 -8.891 1.00 0.00 C ATOM 816 O ASN A 63 12.887 4.445 -8.808 1.00 0.00 O ATOM 817 CB ASN A 63 11.320 6.098 -7.257 1.00 0.00 C ATOM 818 CG ASN A 63 11.959 7.361 -7.799 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.500 7.373 -8.904 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.899 8.436 -7.020 1.00 0.00 N ATOM 0 H ASN A 63 8.604 4.914 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 63 10.373 5.906 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.567 6.364 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.076 5.503 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.311 9.315 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.441 8.382 -6.110 1.00 0.00 H new ATOM 827 N GLY A 64 11.166 3.141 -9.440 1.00 0.00 N ATOM 828 CA GLY A 64 12.031 2.110 -9.980 1.00 0.00 C ATOM 829 C GLY A 64 12.445 1.089 -8.937 1.00 0.00 C ATOM 830 O GLY A 64 13.470 0.424 -9.083 1.00 0.00 O ATOM 0 H GLY A 64 10.168 2.948 -9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.518 1.602 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.922 2.574 -10.403 1.00 0.00 H new ATOM 834 N VAL A 65 11.645 0.963 -7.881 1.00 0.00 N ATOM 835 CA VAL A 65 11.934 0.015 -6.814 1.00 0.00 C ATOM 836 C VAL A 65 10.906 -1.111 -6.788 1.00 0.00 C ATOM 837 O VAL A 65 9.710 -0.869 -6.620 1.00 0.00 O ATOM 838 CB VAL A 65 11.959 0.705 -5.437 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.433 -0.259 -4.361 1.00 0.00 C ATOM 840 CG2 VAL A 65 12.840 1.946 -5.478 1.00 0.00 C ATOM 0 H VAL A 65 10.793 1.506 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 65 12.921 -0.400 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 65 10.944 1.015 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.443 0.249 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.757 -1.113 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.439 -0.605 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.846 2.421 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.857 1.662 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.449 2.645 -6.217 1.00 0.00 H new ATOM 850 N ASP A 66 11.377 -2.341 -6.958 1.00 0.00 N ATOM 851 CA ASP A 66 10.498 -3.505 -6.957 1.00 0.00 C ATOM 852 C ASP A 66 9.855 -3.697 -5.587 1.00 0.00 C ATOM 853 O ASP A 66 10.530 -4.026 -4.613 1.00 0.00 O ATOM 854 CB ASP A 66 11.277 -4.761 -7.348 1.00 0.00 C ATOM 855 CG ASP A 66 11.719 -4.739 -8.797 1.00 0.00 C ATOM 856 OD1 ASP A 66 10.876 -5.001 -9.679 1.00 0.00 O ATOM 857 OD2 ASP A 66 12.909 -4.458 -9.051 1.00 0.00 O ATOM 0 H ASP A 66 12.364 -2.558 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 66 9.709 -3.334 -7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.152 -4.857 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.656 -5.639 -7.174 1.00 0.00 H new ATOM 862 N PHE A 67 8.543 -3.489 -5.521 1.00 0.00 N ATOM 863 CA PHE A 67 7.807 -3.641 -4.270 1.00 0.00 C ATOM 864 C PHE A 67 7.176 -5.029 -4.168 1.00 0.00 C ATOM 865 O PHE A 67 6.242 -5.236 -3.393 1.00 0.00 O ATOM 866 CB PHE A 67 6.726 -2.566 -4.160 1.00 0.00 C ATOM 867 CG PHE A 67 7.166 -1.343 -3.406 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.433 -0.814 -3.593 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.310 -0.722 -2.509 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.838 0.311 -2.900 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.710 0.403 -1.813 1.00 0.00 C ATOM 872 CZ PHE A 67 7.976 0.920 -2.008 1.00 0.00 C ATOM 0 H PHE A 67 7.968 -3.215 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 67 8.512 -3.525 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.415 -2.272 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.852 -2.991 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.112 -1.286 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.319 -1.122 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.828 0.714 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.034 0.877 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.291 1.798 -1.464 1.00 0.00 H new ATOM 882 N SER A 68 7.691 -5.975 -4.948 1.00 0.00 N ATOM 883 CA SER A 68 7.175 -7.338 -4.935 1.00 0.00 C ATOM 884 C SER A 68 7.672 -8.088 -3.704 1.00 0.00 C ATOM 885 O SER A 68 6.922 -8.830 -3.070 1.00 0.00 O ATOM 886 CB SER A 68 7.595 -8.079 -6.205 1.00 0.00 C ATOM 887 OG SER A 68 6.544 -8.898 -6.692 1.00 0.00 O ATOM 0 H SER A 68 8.464 -5.822 -5.596 1.00 0.00 H new ATOM 0 HA SER A 68 6.087 -7.291 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.883 -7.359 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.472 -8.693 -5.998 1.00 0.00 H new ATOM 0 HG SER A 68 6.838 -9.359 -7.505 1.00 0.00 H new ATOM 893 N ASN A 69 8.942 -7.883 -3.371 1.00 0.00 N ATOM 894 CA ASN A 69 9.545 -8.533 -2.213 1.00 0.00 C ATOM 895 C ASN A 69 10.126 -7.498 -1.256 1.00 0.00 C ATOM 896 O ASN A 69 11.081 -7.775 -0.530 1.00 0.00 O ATOM 897 CB ASN A 69 10.639 -9.506 -2.658 1.00 0.00 C ATOM 898 CG ASN A 69 11.647 -8.857 -3.587 1.00 0.00 C ATOM 899 OD1 ASN A 69 12.718 -8.430 -3.159 1.00 0.00 O ATOM 900 ND2 ASN A 69 11.308 -8.783 -4.869 1.00 0.00 N ATOM 0 H ASN A 69 9.574 -7.271 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 69 8.767 -9.090 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.155 -9.894 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.181 -10.358 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.947 -8.359 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.409 -9.150 -5.181 1.00 0.00 H new ATOM 907 N LEU A 70 9.544 -6.301 -1.262 1.00 0.00 N ATOM 908 CA LEU A 70 10.005 -5.221 -0.396 1.00 0.00 C ATOM 909 C LEU A 70 9.397 -5.345 0.997 1.00 0.00 C ATOM 910 O LEU A 70 8.280 -5.836 1.156 1.00 0.00 O ATOM 911 CB LEU A 70 9.643 -3.866 -1.005 1.00 0.00 C ATOM 912 CG LEU A 70 10.304 -2.657 -0.337 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.399 -2.087 -1.225 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.269 -1.589 -0.015 1.00 0.00 C ATOM 0 H LEU A 70 8.753 -6.055 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 70 11.089 -5.295 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.918 -3.874 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.561 -3.741 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 70 10.757 -2.989 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.857 -1.229 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.157 -2.850 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.969 -1.773 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.759 -0.739 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.785 -1.262 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.520 -2.000 0.662 1.00 0.00 H new ATOM 926 N ASP A 71 10.141 -4.897 2.001 1.00 0.00 N ATOM 927 CA ASP A 71 9.676 -4.956 3.383 1.00 0.00 C ATOM 928 C ASP A 71 8.843 -3.727 3.729 1.00 0.00 C ATOM 929 O ASP A 71 8.868 -2.724 3.014 1.00 0.00 O ATOM 930 CB ASP A 71 10.865 -5.067 4.339 1.00 0.00 C ATOM 931 CG ASP A 71 10.529 -5.853 5.589 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.552 -6.631 5.558 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.245 -5.695 6.601 1.00 0.00 O ATOM 0 H ASP A 71 11.069 -4.489 1.885 1.00 0.00 H new ATOM 0 HA ASP A 71 9.048 -5.840 3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.698 -5.546 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.197 -4.067 4.620 1.00 0.00 H new ATOM 938 N HIS A 72 8.104 -3.810 4.830 1.00 0.00 N ATOM 939 CA HIS A 72 7.264 -2.705 5.275 1.00 0.00 C ATOM 940 C HIS A 72 8.099 -1.454 5.531 1.00 0.00 C ATOM 941 O HIS A 72 7.764 -0.365 5.064 1.00 0.00 O ATOM 942 CB HIS A 72 6.504 -3.094 6.544 1.00 0.00 C ATOM 943 CG HIS A 72 5.098 -2.582 6.584 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.098 -3.185 7.318 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.525 -1.514 5.978 1.00 0.00 C ATOM 946 CE1 HIS A 72 2.971 -2.513 7.160 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.205 -1.495 6.352 1.00 0.00 N ATOM 0 H HIS A 72 8.070 -4.633 5.432 1.00 0.00 H new ATOM 0 HA HIS A 72 6.548 -2.485 4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.488 -4.181 6.629 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.044 -2.714 7.411 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.211 -4.020 7.893 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.016 -0.809 5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.021 -2.755 7.614 1.00 0.00 H new ATOM 956 N LYS A 73 9.185 -1.618 6.278 1.00 0.00 N ATOM 957 CA LYS A 73 10.070 -0.502 6.597 1.00 0.00 C ATOM 958 C LYS A 73 10.658 0.110 5.328 1.00 0.00 C ATOM 959 O LYS A 73 10.749 1.330 5.203 1.00 0.00 O ATOM 960 CB LYS A 73 11.197 -0.965 7.522 1.00 0.00 C ATOM 961 CG LYS A 73 10.814 -0.970 8.994 1.00 0.00 C ATOM 962 CD LYS A 73 9.929 -2.160 9.336 1.00 0.00 C ATOM 963 CE LYS A 73 10.383 -2.842 10.617 1.00 0.00 C ATOM 964 NZ LYS A 73 9.484 -3.968 10.994 1.00 0.00 N ATOM 0 H LYS A 73 9.474 -2.512 6.674 1.00 0.00 H new ATOM 0 HA LYS A 73 9.480 0.260 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.504 -1.970 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.061 -0.315 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.716 -0.998 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.292 -0.045 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.897 -1.827 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.948 -2.877 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.399 -3.215 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.411 -2.113 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.827 -4.407 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.519 -3.608 11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.477 -4.676 10.233 1.00 0.00 H new ATOM 978 N GLU A 74 11.055 -0.746 4.392 1.00 0.00 N ATOM 979 CA GLU A 74 11.634 -0.289 3.134 1.00 0.00 C ATOM 980 C GLU A 74 10.658 0.609 2.380 1.00 0.00 C ATOM 981 O GLU A 74 11.036 1.668 1.878 1.00 0.00 O ATOM 982 CB GLU A 74 12.026 -1.485 2.263 1.00 0.00 C ATOM 983 CG GLU A 74 13.515 -1.791 2.285 1.00 0.00 C ATOM 984 CD GLU A 74 13.804 -3.278 2.314 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.780 -3.866 3.416 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.055 -3.856 1.235 1.00 0.00 O ATOM 0 H GLU A 74 10.986 -1.760 4.481 1.00 0.00 H new ATOM 0 HA GLU A 74 12.528 0.291 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.478 -2.365 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.718 -1.292 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.986 -1.350 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.966 -1.320 3.158 1.00 0.00 H new ATOM 993 N ALA A 75 9.405 0.179 2.305 1.00 0.00 N ATOM 994 CA ALA A 75 8.374 0.943 1.611 1.00 0.00 C ATOM 995 C ALA A 75 8.213 2.332 2.219 1.00 0.00 C ATOM 996 O ALA A 75 8.175 3.333 1.504 1.00 0.00 O ATOM 997 CB ALA A 75 7.050 0.195 1.649 1.00 0.00 C ATOM 0 H ALA A 75 9.077 -0.695 2.716 1.00 0.00 H new ATOM 0 HA ALA A 75 8.685 1.064 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.289 0.776 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.165 -0.773 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.746 0.046 2.685 1.00 0.00 H new ATOM 1003 N VAL A 76 8.119 2.383 3.542 1.00 0.00 N ATOM 1004 CA VAL A 76 7.962 3.650 4.246 1.00 0.00 C ATOM 1005 C VAL A 76 9.215 4.511 4.110 1.00 0.00 C ATOM 1006 O VAL A 76 9.129 5.716 3.875 1.00 0.00 O ATOM 1007 CB VAL A 76 7.664 3.429 5.741 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.349 4.750 6.427 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.519 2.443 5.916 1.00 0.00 C ATOM 0 H VAL A 76 8.149 1.563 4.148 1.00 0.00 H new ATOM 0 HA VAL A 76 7.118 4.165 3.788 1.00 0.00 H new ATOM 0 HB VAL A 76 8.553 3.007 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.141 4.572 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.203 5.421 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.477 5.205 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.322 2.299 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.625 2.834 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.789 1.488 5.464 1.00 0.00 H new ATOM 1019 N ASN A 77 10.378 3.883 4.261 1.00 0.00 N ATOM 1020 CA ASN A 77 11.650 4.591 4.159 1.00 0.00 C ATOM 1021 C ASN A 77 11.772 5.317 2.823 1.00 0.00 C ATOM 1022 O ASN A 77 11.953 6.534 2.783 1.00 0.00 O ATOM 1023 CB ASN A 77 12.815 3.615 4.330 1.00 0.00 C ATOM 1024 CG ASN A 77 13.959 4.211 5.125 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.119 3.929 6.312 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.760 5.045 4.473 1.00 0.00 N ATOM 0 H ASN A 77 10.465 2.885 4.454 1.00 0.00 H new ATOM 0 HA ASN A 77 11.684 5.334 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.460 2.714 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.178 3.312 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.545 5.480 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.590 5.250 3.488 1.00 0.00 H new ATOM 1033 N VAL A 78 11.676 4.566 1.730 1.00 0.00 N ATOM 1034 CA VAL A 78 11.782 5.144 0.396 1.00 0.00 C ATOM 1035 C VAL A 78 10.737 6.236 0.186 1.00 0.00 C ATOM 1036 O VAL A 78 11.040 7.307 -0.338 1.00 0.00 O ATOM 1037 CB VAL A 78 11.619 4.071 -0.697 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.727 3.037 -0.595 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.253 3.408 -0.601 1.00 0.00 C ATOM 0 H VAL A 78 11.525 3.557 1.742 1.00 0.00 H new ATOM 0 HA VAL A 78 12.778 5.580 0.318 1.00 0.00 H new ATOM 0 HB VAL A 78 11.691 4.557 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.597 2.286 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.693 3.526 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.687 2.556 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.159 2.654 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.146 2.935 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.474 4.160 -0.727 1.00 0.00 H new ATOM 1049 N LEU A 79 9.506 5.958 0.603 1.00 0.00 N ATOM 1050 CA LEU A 79 8.417 6.918 0.466 1.00 0.00 C ATOM 1051 C LEU A 79 8.684 8.160 1.311 1.00 0.00 C ATOM 1052 O LEU A 79 8.278 9.266 0.955 1.00 0.00 O ATOM 1053 CB LEU A 79 7.089 6.277 0.879 1.00 0.00 C ATOM 1054 CG LEU A 79 6.255 5.712 -0.273 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.700 6.838 -1.132 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.087 4.758 -1.116 1.00 0.00 C ATOM 0 H LEU A 79 9.238 5.076 1.039 1.00 0.00 H new ATOM 0 HA LEU A 79 8.355 7.218 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.296 5.473 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.493 7.021 1.408 1.00 0.00 H new ATOM 0 HG LEU A 79 5.417 5.157 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.110 6.417 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.068 7.484 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.524 7.421 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.478 4.366 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.945 5.290 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.436 3.933 -0.495 1.00 0.00 H new ATOM 1068 N LYS A 80 9.372 7.969 2.433 1.00 0.00 N ATOM 1069 CA LYS A 80 9.696 9.070 3.333 1.00 0.00 C ATOM 1070 C LYS A 80 10.939 9.817 2.854 1.00 0.00 C ATOM 1071 O LYS A 80 11.080 11.017 3.083 1.00 0.00 O ATOM 1072 CB LYS A 80 9.919 8.545 4.753 1.00 0.00 C ATOM 1073 CG LYS A 80 8.710 8.707 5.662 1.00 0.00 C ATOM 1074 CD LYS A 80 7.462 8.093 5.050 1.00 0.00 C ATOM 1075 CE LYS A 80 6.263 8.229 5.974 1.00 0.00 C ATOM 1076 NZ LYS A 80 6.016 9.646 6.359 1.00 0.00 N ATOM 0 H LYS A 80 9.716 7.060 2.741 1.00 0.00 H new ATOM 0 HA LYS A 80 8.855 9.764 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.186 7.489 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.767 9.068 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.913 8.237 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.538 9.766 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.246 8.578 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.641 7.039 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.378 7.827 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.427 7.632 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.078 9.727 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.744 9.954 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.053 10.248 5.511 1.00 0.00 H new ATOM 1090 N SER A 81 11.836 9.096 2.191 1.00 0.00 N ATOM 1091 CA SER A 81 13.069 9.688 1.682 1.00 0.00 C ATOM 1092 C SER A 81 12.778 10.698 0.578 1.00 0.00 C ATOM 1093 O SER A 81 13.046 11.890 0.727 1.00 0.00 O ATOM 1094 CB SER A 81 14.003 8.595 1.156 1.00 0.00 C ATOM 1095 OG SER A 81 15.353 9.026 1.174 1.00 0.00 O ATOM 0 H SER A 81 11.733 8.101 1.993 1.00 0.00 H new ATOM 0 HA SER A 81 13.556 10.211 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.896 7.697 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.717 8.326 0.139 1.00 0.00 H new ATOM 0 HG SER A 81 15.930 8.310 0.835 1.00 0.00 H new ATOM 1101 N SER A 82 12.229 10.214 -0.532 1.00 0.00 N ATOM 1102 CA SER A 82 11.904 11.077 -1.661 1.00 0.00 C ATOM 1103 C SER A 82 10.507 11.671 -1.509 1.00 0.00 C ATOM 1104 O SER A 82 9.547 10.957 -1.221 1.00 0.00 O ATOM 1105 CB SER A 82 12.002 10.294 -2.972 1.00 0.00 C ATOM 1106 OG SER A 82 13.211 10.585 -3.650 1.00 0.00 O ATOM 0 H SER A 82 12.000 9.230 -0.673 1.00 0.00 H new ATOM 0 HA SER A 82 12.624 11.895 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.945 9.225 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.154 10.541 -3.611 1.00 0.00 H new ATOM 0 HG SER A 82 13.250 10.071 -4.484 1.00 0.00 H new ATOM 1112 N ARG A 83 10.403 12.981 -1.706 1.00 0.00 N ATOM 1113 CA ARG A 83 9.124 13.672 -1.593 1.00 0.00 C ATOM 1114 C ARG A 83 8.273 13.442 -2.837 1.00 0.00 C ATOM 1115 O ARG A 83 7.137 12.975 -2.749 1.00 0.00 O ATOM 1116 CB ARG A 83 9.347 15.170 -1.383 1.00 0.00 C ATOM 1117 CG ARG A 83 9.815 15.525 0.020 1.00 0.00 C ATOM 1118 CD ARG A 83 11.274 15.952 0.033 1.00 0.00 C ATOM 1119 NE ARG A 83 11.417 17.402 0.140 1.00 0.00 N ATOM 1120 CZ ARG A 83 12.529 18.064 -0.178 1.00 0.00 C ATOM 1121 NH1 ARG A 83 13.595 17.409 -0.624 1.00 0.00 N ATOM 1122 NH2 ARG A 83 12.572 19.383 -0.051 1.00 0.00 N ATOM 0 H ARG A 83 11.189 13.585 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 83 8.594 13.267 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.085 15.524 -2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.418 15.700 -1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.196 16.330 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.681 14.666 0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.784 15.474 0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.762 15.605 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 83 10.619 17.939 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.565 16.394 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.444 17.921 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.755 19.889 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.422 19.891 -0.294 1.00 0.00 H new ATOM 1136 N SER A 84 8.832 13.775 -3.997 1.00 0.00 N ATOM 1137 CA SER A 84 8.129 13.601 -5.263 1.00 0.00 C ATOM 1138 C SER A 84 8.596 12.334 -5.967 1.00 0.00 C ATOM 1139 O SER A 84 9.461 12.378 -6.841 1.00 0.00 O ATOM 1140 CB SER A 84 8.356 14.815 -6.166 1.00 0.00 C ATOM 1141 OG SER A 84 7.777 15.983 -5.608 1.00 0.00 O ATOM 0 H SER A 84 9.770 14.167 -4.086 1.00 0.00 H new ATOM 0 HA SER A 84 7.063 13.509 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.425 14.969 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.925 14.626 -7.149 1.00 0.00 H new ATOM 0 HG SER A 84 7.938 16.744 -6.204 1.00 0.00 H new ATOM 1147 N LEU A 85 8.022 11.201 -5.574 1.00 0.00 N ATOM 1148 CA LEU A 85 8.386 9.916 -6.160 1.00 0.00 C ATOM 1149 C LEU A 85 7.221 9.320 -6.946 1.00 0.00 C ATOM 1150 O LEU A 85 6.065 9.422 -6.535 1.00 0.00 O ATOM 1151 CB LEU A 85 8.829 8.936 -5.069 1.00 0.00 C ATOM 1152 CG LEU A 85 8.276 9.219 -3.669 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.797 8.873 -3.599 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.058 8.442 -2.621 1.00 0.00 C ATOM 0 H LEU A 85 7.303 11.147 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 85 9.215 10.087 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.529 7.930 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.918 8.942 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 85 8.388 10.283 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.422 9.081 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.248 9.474 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.660 7.816 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.652 8.655 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.977 7.374 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.106 8.739 -2.654 1.00 0.00 H new ATOM 1166 N THR A 86 7.538 8.691 -8.072 1.00 0.00 N ATOM 1167 CA THR A 86 6.523 8.067 -8.912 1.00 0.00 C ATOM 1168 C THR A 86 6.303 6.619 -8.489 1.00 0.00 C ATOM 1169 O THR A 86 7.215 5.796 -8.565 1.00 0.00 O ATOM 1170 CB THR A 86 6.937 8.125 -10.382 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.252 9.453 -10.762 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.867 7.620 -11.325 1.00 0.00 C ATOM 0 H THR A 86 8.491 8.600 -8.424 1.00 0.00 H new ATOM 0 HA THR A 86 5.589 8.616 -8.789 1.00 0.00 H new ATOM 0 HB THR A 86 7.807 7.474 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.516 9.469 -11.706 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.225 7.689 -12.352 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.636 6.581 -11.090 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.968 8.226 -11.213 1.00 0.00 H new ATOM 1180 N ILE A 87 5.093 6.316 -8.034 1.00 0.00 N ATOM 1181 CA ILE A 87 4.762 4.968 -7.589 1.00 0.00 C ATOM 1182 C ILE A 87 3.705 4.328 -8.481 1.00 0.00 C ATOM 1183 O ILE A 87 2.635 4.893 -8.700 1.00 0.00 O ATOM 1184 CB ILE A 87 4.257 4.968 -6.133 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.150 6.009 -5.956 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.408 5.237 -5.172 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.629 6.105 -4.538 1.00 0.00 C ATOM 0 H ILE A 87 4.326 6.985 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 87 5.680 4.384 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 87 3.845 3.985 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.528 6.985 -6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.323 5.764 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.035 5.234 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.165 4.461 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.848 6.209 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.847 6.863 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.220 5.141 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.444 6.380 -3.869 1.00 0.00 H new ATOM 1199 N SER A 88 4.014 3.138 -8.988 1.00 0.00 N ATOM 1200 CA SER A 88 3.092 2.408 -9.849 1.00 0.00 C ATOM 1201 C SER A 88 2.292 1.398 -9.033 1.00 0.00 C ATOM 1202 O SER A 88 2.865 0.540 -8.360 1.00 0.00 O ATOM 1203 CB SER A 88 3.856 1.693 -10.964 1.00 0.00 C ATOM 1204 OG SER A 88 3.048 1.536 -12.117 1.00 0.00 O ATOM 0 H SER A 88 4.898 2.659 -8.816 1.00 0.00 H new ATOM 0 HA SER A 88 2.402 3.122 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.751 2.261 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.188 0.716 -10.613 1.00 0.00 H new ATOM 0 HG SER A 88 3.192 0.645 -12.499 1.00 0.00 H new ATOM 1210 N ILE A 89 0.970 1.511 -9.086 1.00 0.00 N ATOM 1211 CA ILE A 89 0.101 0.612 -8.342 1.00 0.00 C ATOM 1212 C ILE A 89 -0.942 -0.031 -9.249 1.00 0.00 C ATOM 1213 O ILE A 89 -1.427 0.588 -10.196 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.613 1.355 -7.192 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.604 0.425 -6.472 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.309 2.604 -7.719 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.022 0.484 -7.009 1.00 0.00 C ATOM 0 H ILE A 89 0.479 2.216 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 89 0.735 -0.170 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 89 0.135 1.667 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.242 -0.600 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.619 0.680 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.808 3.117 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.572 3.269 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.046 2.320 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.654 -0.202 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.407 1.499 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.025 0.198 -8.061 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.289 -1.276 -8.942 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.285 -2.010 -9.712 1.00 0.00 C ATOM 1231 C VAL A 90 -3.547 -2.220 -8.881 1.00 0.00 C ATOM 1232 O VAL A 90 -3.489 -2.731 -7.763 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.741 -3.376 -10.198 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -0.861 -4.019 -9.138 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -2.875 -4.312 -10.600 1.00 0.00 C ATOM 0 H VAL A 90 -0.893 -1.800 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.525 -1.412 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.130 -3.193 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.492 -4.977 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.017 -3.364 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.442 -4.177 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.460 -5.262 -10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.526 -4.483 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.450 -3.861 -11.408 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.683 -1.812 -9.432 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.959 -1.944 -8.742 1.00 0.00 C ATOM 1247 C ALA A 91 -6.344 -3.407 -8.553 1.00 0.00 C ATOM 1248 O ALA A 91 -6.294 -4.199 -9.494 1.00 0.00 O ATOM 1249 CB ALA A 91 -7.047 -1.205 -9.504 1.00 0.00 C ATOM 0 H ALA A 91 -4.746 -1.386 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.852 -1.499 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.996 -1.311 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.788 -0.149 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.139 -1.624 -10.506 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.744 -3.748 -7.327 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.164 -5.108 -6.980 1.00 0.00 C ATOM 1257 C ALA A 92 -5.988 -6.008 -6.601 1.00 0.00 C ATOM 1258 O ALA A 92 -6.181 -7.036 -5.952 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.967 -5.737 -8.111 1.00 0.00 C ATOM 0 H ALA A 92 -6.786 -3.091 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.800 -5.020 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.266 -6.746 -7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.855 -5.136 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.355 -5.780 -9.012 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.773 -5.631 -6.995 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.595 -6.430 -6.672 1.00 0.00 C ATOM 1267 C ALA A 93 -3.508 -6.699 -5.171 1.00 0.00 C ATOM 1268 O ALA A 93 -2.890 -7.672 -4.737 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.337 -5.729 -7.160 1.00 0.00 C ATOM 0 H ALA A 93 -4.580 -4.786 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.684 -7.390 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.464 -6.334 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.392 -5.594 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.252 -4.756 -6.676 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.132 -5.827 -4.384 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.122 -5.973 -2.942 1.00 0.00 C ATOM 1277 C GLY A 94 -5.489 -6.324 -2.385 1.00 0.00 C ATOM 1278 O GLY A 94 -5.596 -6.990 -1.356 1.00 0.00 O ATOM 0 H GLY A 94 -4.648 -5.016 -4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.409 -6.749 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.776 -5.044 -2.488 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.535 -5.852 -3.057 1.00 0.00 N ATOM 1283 CA ARG A 95 -7.906 -6.095 -2.620 1.00 0.00 C ATOM 1284 C ARG A 95 -8.189 -7.590 -2.488 1.00 0.00 C ATOM 1285 O ARG A 95 -8.937 -8.011 -1.606 1.00 0.00 O ATOM 1286 CB ARG A 95 -8.896 -5.445 -3.598 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.361 -6.360 -4.725 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.342 -5.651 -5.648 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.686 -6.218 -5.559 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.083 -7.297 -6.232 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.241 -7.935 -7.036 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.325 -7.740 -6.097 1.00 0.00 N ATOM 0 H ARG A 95 -6.459 -5.297 -3.909 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.033 -5.644 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.768 -5.104 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.430 -4.561 -4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.499 -6.699 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.832 -7.248 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.378 -4.592 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.987 -5.720 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.360 -5.760 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.283 -7.600 -7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.552 -8.761 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.975 -7.255 -5.479 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.631 -8.566 -6.612 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.585 -8.389 -3.361 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.777 -9.835 -3.327 1.00 0.00 C ATOM 1308 C GLU A 96 -7.567 -10.376 -1.915 1.00 0.00 C ATOM 1309 O GLU A 96 -8.400 -11.115 -1.391 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.814 -10.523 -4.299 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.331 -11.846 -4.837 1.00 0.00 C ATOM 1312 CD GLU A 96 -8.452 -11.668 -5.842 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -9.164 -10.645 -5.764 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -8.618 -12.552 -6.709 1.00 0.00 O ATOM 0 H GLU A 96 -6.961 -8.062 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.802 -10.049 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.616 -9.853 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.863 -10.693 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.510 -12.389 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.685 -12.458 -4.007 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.450 -9.994 -1.306 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.129 -10.428 0.050 1.00 0.00 C ATOM 1323 C LEU A 97 -7.034 -9.746 1.071 1.00 0.00 C ATOM 1324 O LEU A 97 -7.491 -10.371 2.029 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.665 -10.130 0.369 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.669 -10.525 -0.723 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.280 -9.997 -0.397 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.640 -12.035 -0.897 1.00 0.00 C ATOM 0 H LEU A 97 -5.751 -9.384 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.295 -11.504 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.562 -9.063 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.397 -10.650 1.289 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.993 -10.077 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.586 -10.288 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.312 -8.910 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.946 -10.414 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.926 -12.298 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.341 -12.504 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.632 -12.388 -1.179 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.283 -8.455 0.863 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.125 -7.677 1.766 1.00 0.00 C ATOM 1342 C PHE A 98 -9.499 -8.324 1.935 1.00 0.00 C ATOM 1343 O PHE A 98 -9.963 -8.528 3.056 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.278 -6.246 1.247 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.627 -5.217 2.127 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.263 -4.984 2.051 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -8.379 -4.483 3.031 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -5.662 -4.039 2.859 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -7.783 -3.537 3.842 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.423 -3.313 3.756 1.00 0.00 C ATOM 0 H PHE A 98 -6.912 -7.925 0.074 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.639 -7.653 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.848 -6.182 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.339 -6.013 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -5.663 -5.548 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.443 -4.653 3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.598 -3.867 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.380 -2.973 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.955 -2.573 4.388 1.00 0.00 H new ATOM 1360 N MET A 99 -10.144 -8.641 0.817 1.00 0.00 N ATOM 1361 CA MET A 99 -11.464 -9.263 0.847 1.00 0.00 C ATOM 1362 C MET A 99 -11.442 -10.552 1.664 1.00 0.00 C ATOM 1363 O MET A 99 -10.403 -11.200 1.787 1.00 0.00 O ATOM 1364 CB MET A 99 -11.950 -9.552 -0.574 1.00 0.00 C ATOM 1365 CG MET A 99 -11.070 -10.534 -1.330 1.00 0.00 C ATOM 1366 SD MET A 99 -11.982 -11.470 -2.571 1.00 0.00 S ATOM 1367 CE MET A 99 -12.613 -12.822 -1.581 1.00 0.00 C ATOM 0 H MET A 99 -9.775 -8.478 -0.120 1.00 0.00 H new ATOM 0 HA MET A 99 -12.154 -8.566 1.323 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.965 -9.947 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.997 -8.616 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.259 -9.991 -1.814 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.613 -11.226 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.201 -13.490 -2.210 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.780 -13.373 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.243 -12.426 -0.784 1.00 0.00 H new ATOM 1377 N THR A 100 -12.593 -10.913 2.222 1.00 0.00 N ATOM 1378 CA THR A 100 -12.709 -12.125 3.031 1.00 0.00 C ATOM 1379 C THR A 100 -14.103 -12.250 3.638 1.00 0.00 C ATOM 1380 O THR A 100 -14.600 -13.357 3.840 1.00 0.00 O ATOM 1381 CB THR A 100 -11.659 -12.125 4.145 1.00 0.00 C ATOM 1382 OG1 THR A 100 -11.923 -13.153 5.083 1.00 0.00 O ATOM 1383 CG2 THR A 100 -11.593 -10.817 4.905 1.00 0.00 C ATOM 0 H THR A 100 -13.460 -10.384 2.130 1.00 0.00 H new ATOM 0 HA THR A 100 -12.539 -12.980 2.376 1.00 0.00 H new ATOM 0 HB THR A 100 -10.705 -12.284 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.240 -13.138 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.829 -10.884 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.342 -10.009 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.560 -10.615 5.365 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -3.916 -11.176 15.784 1.00 0.00 N ATOM 1393 CA THR B 111 -4.345 -9.895 15.234 1.00 0.00 C ATOM 1394 C THR B 111 -3.963 -9.779 13.761 1.00 0.00 C ATOM 1395 O THR B 111 -3.093 -10.503 13.278 1.00 0.00 O ATOM 1396 CB THR B 111 -3.725 -8.742 16.027 1.00 0.00 C ATOM 1397 OG1 THR B 111 -2.492 -9.137 16.601 1.00 0.00 O ATOM 1398 CG2 THR B 111 -4.613 -8.240 17.145 1.00 0.00 C ATOM 0 HA THR B 111 -5.431 -9.839 15.314 1.00 0.00 H new ATOM 0 HB THR B 111 -3.586 -7.936 15.307 1.00 0.00 H new ATOM 0 HG1 THR B 111 -2.459 -10.114 16.665 1.00 0.00 H new ATOM 0 HG21 THR B 111 -4.114 -7.423 17.667 1.00 0.00 H new ATOM 0 HG22 THR B 111 -5.555 -7.883 16.729 1.00 0.00 H new ATOM 0 HG23 THR B 111 -4.810 -9.052 17.845 1.00 0.00 H new ATOM 1406 N PRO B 112 -4.611 -8.859 13.027 1.00 0.00 N ATOM 1407 CA PRO B 112 -4.336 -8.648 11.602 1.00 0.00 C ATOM 1408 C PRO B 112 -2.929 -8.113 11.358 1.00 0.00 C ATOM 1409 O PRO B 112 -2.158 -7.912 12.298 1.00 0.00 O ATOM 1410 CB PRO B 112 -5.383 -7.613 11.179 1.00 0.00 C ATOM 1411 CG PRO B 112 -5.769 -6.922 12.441 1.00 0.00 C ATOM 1412 CD PRO B 112 -5.660 -7.953 13.526 1.00 0.00 C ATOM 0 HA PRO B 112 -4.390 -9.579 11.037 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -4.974 -6.911 10.453 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -6.244 -8.090 10.710 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -5.112 -6.076 12.639 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -6.784 -6.529 12.376 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -5.384 -7.505 14.481 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -6.604 -8.476 13.680 1.00 0.00 H new ATOM 1420 N LEU B 113 -2.600 -7.883 10.092 1.00 0.00 N ATOM 1421 CA LEU B 113 -1.285 -7.372 9.724 1.00 0.00 C ATOM 1422 C LEU B 113 -1.098 -5.943 10.224 1.00 0.00 C ATOM 1423 O LEU B 113 -2.068 -5.246 10.519 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.103 -7.420 8.205 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.514 -8.738 7.545 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.263 -8.477 6.246 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.292 -9.611 7.293 1.00 0.00 C ATOM 0 H LEU B 113 -3.226 -8.042 9.303 1.00 0.00 H new ATOM 0 HA LEU B 113 -0.532 -8.005 10.194 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.683 -6.612 7.759 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.056 -7.226 7.974 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.182 -9.268 8.223 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.546 -9.427 5.792 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.159 -7.892 6.454 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.621 -7.925 5.560 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.602 -10.544 6.823 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.401 -9.086 6.635 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.202 -9.828 8.240 1.00 0.00 H new ATOM 1439 N GLU B 114 0.156 -5.513 10.315 1.00 0.00 N ATOM 1440 CA GLU B 114 0.471 -4.166 10.777 1.00 0.00 C ATOM 1441 C GLU B 114 0.101 -3.130 9.722 1.00 0.00 C ATOM 1442 O GLU B 114 -0.115 -3.466 8.557 1.00 0.00 O ATOM 1443 CB GLU B 114 1.958 -4.056 11.118 1.00 0.00 C ATOM 1444 CG GLU B 114 2.440 -5.124 12.087 1.00 0.00 C ATOM 1445 CD GLU B 114 3.815 -4.820 12.652 1.00 0.00 C ATOM 1446 OE1 GLU B 114 4.769 -4.695 11.856 1.00 0.00 O ATOM 1447 OE2 GLU B 114 3.937 -4.709 13.890 1.00 0.00 O ATOM 0 H GLU B 114 0.971 -6.078 10.075 1.00 0.00 H new ATOM 0 HA GLU B 114 -0.115 -3.970 11.675 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.539 -4.123 10.198 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.152 -3.073 11.547 1.00 0.00 H new ATOM 0 HG2 GLU B 114 1.727 -5.215 12.906 1.00 0.00 H new ATOM 0 HG3 GLU B 114 2.465 -6.087 11.577 1.00 0.00 H new ATOM 1454 N ILE B 115 0.029 -1.870 10.135 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.316 -0.786 9.225 1.00 0.00 C ATOM 1456 C ILE B 115 0.448 0.488 9.570 1.00 0.00 C ATOM 1457 O ILE B 115 0.536 0.877 10.735 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.827 -0.489 9.253 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.627 -1.783 9.106 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.194 0.496 8.153 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -4.124 -1.579 9.172 1.00 0.00 C ATOM 0 H ILE B 115 0.205 -1.574 11.095 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.036 -1.113 8.224 1.00 0.00 H new ATOM 0 HB ILE B 115 -2.075 -0.039 10.214 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.374 -2.251 8.155 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.328 -2.477 9.892 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.265 0.696 8.186 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.647 1.427 8.301 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.934 0.072 7.183 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.627 -2.539 9.060 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -4.389 -1.140 10.134 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.436 -0.911 8.369 1.00 0.00 H new ATOM 1473 N THR B 116 1.000 1.134 8.547 1.00 0.00 N ATOM 1474 CA THR B 116 1.759 2.366 8.740 1.00 0.00 C ATOM 1475 C THR B 116 1.019 3.558 8.141 1.00 0.00 C ATOM 1476 O THR B 116 0.354 3.434 7.113 1.00 0.00 O ATOM 1477 CB THR B 116 3.144 2.239 8.104 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.809 1.081 8.576 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.040 3.428 8.381 1.00 0.00 C ATOM 0 H THR B 116 0.936 0.825 7.577 1.00 0.00 H new ATOM 0 HA THR B 116 1.872 2.532 9.811 1.00 0.00 H new ATOM 0 HB THR B 116 2.965 2.181 7.030 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.648 0.337 7.959 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.007 3.274 7.902 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.578 4.332 7.984 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.181 3.535 9.457 1.00 0.00 H new ATOM 1487 N GLU B 117 1.141 4.711 8.790 1.00 0.00 N ATOM 1488 CA GLU B 117 0.483 5.924 8.321 1.00 0.00 C ATOM 1489 C GLU B 117 1.450 6.794 7.525 1.00 0.00 C ATOM 1490 O GLU B 117 2.399 7.352 8.076 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.075 6.717 9.504 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.368 6.143 10.063 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.344 6.012 11.574 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.719 6.868 12.235 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -1.950 5.053 12.095 1.00 0.00 O ATOM 0 H GLU B 117 1.689 4.831 9.642 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.339 5.631 7.667 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.673 6.747 10.297 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.249 7.747 9.191 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.201 6.782 9.771 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.547 5.163 9.620 1.00 0.00 H new ATOM 1502 N LEU B 118 1.203 6.905 6.223 1.00 0.00 N ATOM 1503 CA LEU B 118 2.051 7.706 5.348 1.00 0.00 C ATOM 1504 C LEU B 118 1.483 9.112 5.180 1.00 0.00 C ATOM 1505 O LEU B 118 0.548 9.278 4.369 1.00 0.00 O ATOM 1506 CB LEU B 118 2.192 7.032 3.982 1.00 0.00 C ATOM 1507 CG LEU B 118 2.979 5.720 3.986 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.405 4.751 2.964 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.451 5.982 3.707 1.00 0.00 C ATOM 1510 OXT LEU B 118 1.979 10.035 5.859 1.00 0.00 O ATOM 0 H LEU B 118 0.422 6.450 5.751 1.00 0.00 H new ATOM 0 HA LEU B 118 3.036 7.784 5.809 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.196 6.839 3.584 1.00 0.00 H new ATOM 0 HB3 LEU B 118 2.679 7.728 3.299 1.00 0.00 H new ATOM 0 HG LEU B 118 2.891 5.268 4.974 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.977 3.823 2.981 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.364 4.540 3.208 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.462 5.195 1.970 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.996 5.038 3.713 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.558 6.456 2.731 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.856 6.640 4.476 1.00 0.00 H new TER 1522 LEU B 118