USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 869 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00683 (180deg=-0.21) USER MOD Single : A 8 SER OG : rot -144:sc= 0.646 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 76:sc= 0.757 USER MOD Single : A 16 MET CE :methyl -103:sc= -0.0922 (180deg=-1.13) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -121:sc= 0.758 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.28) USER MOD Single : A 42 ASN : amide:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 43 THR OG1 : rot 47:sc=0.000736 USER MOD Single : A 48 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.37) USER MOD Single : A 50 THR OG1 : rot -28:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 0.39 (180deg=0.0018) USER MOD Single : A 56 GLN : amide:sc= -0.0605 K(o=-0.06,f=-0.98) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc=-0.00141 (180deg=-1.12) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.256 USER MOD Single : A 70 ASN : amide:sc= 0.589 K(o=0.59,f=-4.6!) USER MOD Single : A 74 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -0.628 (180deg=-1.73!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 102 SER OG : rot -24:sc= 0.0209 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.100 -0.361 11.283 1.00 0.00 N ATOM 2 CA MET A 1 12.216 -1.806 11.022 1.00 0.00 C ATOM 3 C MET A 1 10.807 -2.371 10.911 1.00 0.00 C ATOM 4 O MET A 1 10.111 -2.470 11.922 1.00 0.00 O ATOM 5 CB MET A 1 13.022 -2.494 12.134 1.00 0.00 C ATOM 6 CG MET A 1 14.496 -2.075 12.108 1.00 0.00 C ATOM 7 SD MET A 1 15.498 -2.812 13.426 1.00 0.00 S ATOM 8 CE MET A 1 17.036 -1.883 13.177 1.00 0.00 C ATOM 0 H1 MET A 1 13.014 0.100 11.097 1.00 0.00 H new ATOM 0 H2 MET A 1 11.374 0.047 10.660 1.00 0.00 H new ATOM 0 H3 MET A 1 11.831 -0.208 12.276 1.00 0.00 H new ATOM 0 HA MET A 1 12.755 -1.988 10.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.590 -2.246 13.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.949 -3.576 12.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.924 -2.350 11.144 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.555 -0.989 12.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.778 -2.206 13.907 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.413 -2.066 12.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.842 -0.818 13.303 1.00 0.00 H new ATOM 18 N ALA A 2 10.323 -2.627 9.696 1.00 0.00 N ATOM 19 CA ALA A 2 8.954 -3.034 9.418 1.00 0.00 C ATOM 20 C ALA A 2 8.864 -3.759 8.087 1.00 0.00 C ATOM 21 O ALA A 2 9.875 -3.977 7.418 1.00 0.00 O ATOM 22 CB ALA A 2 8.056 -1.788 9.382 1.00 0.00 C ATOM 0 H ALA A 2 10.894 -2.553 8.854 1.00 0.00 H new ATOM 0 HA ALA A 2 8.625 -3.714 10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.028 -2.086 9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.099 -1.281 10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.403 -1.112 8.601 1.00 0.00 H new ATOM 28 N ARG A 3 7.639 -4.068 7.657 1.00 0.00 N ATOM 29 CA ARG A 3 7.361 -4.154 6.234 1.00 0.00 C ATOM 30 C ARG A 3 6.471 -3.014 5.780 1.00 0.00 C ATOM 31 O ARG A 3 5.620 -2.579 6.557 1.00 0.00 O ATOM 32 CB ARG A 3 6.788 -5.517 5.891 1.00 0.00 C ATOM 33 CG ARG A 3 7.920 -6.551 5.842 1.00 0.00 C ATOM 34 CD ARG A 3 7.686 -7.852 6.602 1.00 0.00 C ATOM 35 NE ARG A 3 7.411 -7.602 8.033 1.00 0.00 N ATOM 36 CZ ARG A 3 8.271 -7.779 9.042 1.00 0.00 C ATOM 37 NH1 ARG A 3 9.440 -8.377 8.852 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.962 -7.384 10.271 1.00 0.00 N ATOM 0 H ARG A 3 6.842 -4.258 8.265 1.00 0.00 H new ATOM 0 HA ARG A 3 8.296 -4.049 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.046 -5.809 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.276 -5.477 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.113 -6.796 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.825 -6.085 6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.848 -8.388 6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.562 -8.494 6.505 1.00 0.00 H new ATOM 0 HE ARG A 3 6.479 -7.263 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.697 -8.711 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.082 -8.502 9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.062 -6.941 10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.625 -7.524 11.033 1.00 0.00 H new ATOM 52 N VAL A 4 6.647 -2.565 4.536 1.00 0.00 N ATOM 53 CA VAL A 4 5.891 -1.480 3.928 1.00 0.00 C ATOM 54 C VAL A 4 5.357 -1.928 2.587 1.00 0.00 C ATOM 55 O VAL A 4 6.140 -2.431 1.777 1.00 0.00 O ATOM 56 CB VAL A 4 6.776 -0.222 3.853 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.930 -0.178 2.873 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.971 1.051 3.584 1.00 0.00 C ATOM 0 H VAL A 4 7.344 -2.963 3.907 1.00 0.00 H new ATOM 0 HA VAL A 4 5.024 -1.217 4.534 1.00 0.00 H new ATOM 0 HB VAL A 4 7.213 -0.279 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.442 0.780 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.629 -0.984 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.551 -0.299 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.646 1.906 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.446 0.955 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.247 1.200 4.385 1.00 0.00 H new ATOM 68 N ALA A 5 4.041 -1.815 2.361 1.00 0.00 N ATOM 69 CA ALA A 5 3.486 -2.328 1.126 1.00 0.00 C ATOM 70 C ALA A 5 3.326 -1.147 0.189 1.00 0.00 C ATOM 71 O ALA A 5 2.925 -0.060 0.615 1.00 0.00 O ATOM 72 CB ALA A 5 2.133 -3.003 1.356 1.00 0.00 C ATOM 0 H ALA A 5 3.370 -1.387 2.999 1.00 0.00 H new ATOM 0 HA ALA A 5 4.149 -3.084 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.747 -3.376 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.255 -3.834 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.432 -2.280 1.774 1.00 0.00 H new ATOM 78 N ILE A 6 3.567 -1.362 -1.093 1.00 0.00 N ATOM 79 CA ILE A 6 3.420 -0.343 -2.107 1.00 0.00 C ATOM 80 C ILE A 6 2.484 -0.946 -3.155 1.00 0.00 C ATOM 81 O ILE A 6 2.776 -2.021 -3.684 1.00 0.00 O ATOM 82 CB ILE A 6 4.774 0.151 -2.635 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.692 0.624 -1.492 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.562 1.292 -3.641 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.597 -0.487 -0.943 1.00 0.00 C ATOM 0 H ILE A 6 3.874 -2.263 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 6 2.981 0.576 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 6 5.263 -0.688 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.313 1.445 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.079 1.018 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.528 1.636 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.961 0.933 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.046 2.118 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.218 -0.088 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.982 -1.299 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.235 -0.865 -1.742 1.00 0.00 H new ATOM 97 N PRO A 7 1.318 -0.321 -3.375 1.00 0.00 N ATOM 98 CA PRO A 7 0.318 -0.730 -4.328 1.00 0.00 C ATOM 99 C PRO A 7 0.863 -0.436 -5.721 1.00 0.00 C ATOM 100 O PRO A 7 0.860 0.713 -6.149 1.00 0.00 O ATOM 101 CB PRO A 7 -0.908 0.114 -3.965 1.00 0.00 C ATOM 102 CG PRO A 7 -0.374 1.393 -3.353 1.00 0.00 C ATOM 103 CD PRO A 7 0.968 0.970 -2.825 1.00 0.00 C ATOM 0 HA PRO A 7 0.059 -1.789 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.510 0.327 -4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.551 -0.415 -3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.286 2.190 -4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.023 1.764 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.725 1.708 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.943 0.919 -1.737 1.00 0.00 H new ATOM 111 N SER A 8 1.387 -1.439 -6.401 1.00 0.00 N ATOM 112 CA SER A 8 1.916 -1.342 -7.747 1.00 0.00 C ATOM 113 C SER A 8 0.814 -1.734 -8.740 1.00 0.00 C ATOM 114 O SER A 8 -0.268 -2.207 -8.366 1.00 0.00 O ATOM 115 CB SER A 8 3.108 -2.310 -7.802 1.00 0.00 C ATOM 116 OG SER A 8 3.745 -2.374 -9.055 1.00 0.00 O ATOM 0 H SER A 8 1.458 -2.380 -6.015 1.00 0.00 H new ATOM 0 HA SER A 8 2.241 -0.335 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.839 -2.011 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.763 -3.308 -7.531 1.00 0.00 H new ATOM 0 HG SER A 8 4.038 -3.293 -9.226 1.00 0.00 H new ATOM 122 N VAL A 9 1.121 -1.604 -10.027 1.00 0.00 N ATOM 123 CA VAL A 9 0.402 -2.256 -11.111 1.00 0.00 C ATOM 124 C VAL A 9 1.389 -3.042 -11.997 1.00 0.00 C ATOM 125 O VAL A 9 1.261 -3.082 -13.220 1.00 0.00 O ATOM 126 CB VAL A 9 -0.467 -1.221 -11.875 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.510 -0.550 -10.969 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.325 -0.066 -12.516 1.00 0.00 C ATOM 0 H VAL A 9 1.897 -1.027 -10.351 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.298 -2.993 -10.719 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.929 -1.829 -12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.092 0.165 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.175 -1.308 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.004 -0.030 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.363 0.607 -13.028 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.860 0.483 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.039 -0.469 -13.234 1.00 0.00 H new ATOM 138 N GLY A 10 2.381 -3.700 -11.392 1.00 0.00 N ATOM 139 CA GLY A 10 3.212 -4.687 -12.067 1.00 0.00 C ATOM 140 C GLY A 10 4.182 -5.357 -11.097 1.00 0.00 C ATOM 141 O GLY A 10 4.312 -4.948 -9.939 1.00 0.00 O ATOM 0 H GLY A 10 2.628 -3.558 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.578 -5.443 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.772 -4.206 -12.869 1.00 0.00 H new ATOM 145 N LYS A 11 4.871 -6.388 -11.584 1.00 0.00 N ATOM 146 CA LYS A 11 5.744 -7.297 -10.841 1.00 0.00 C ATOM 147 C LYS A 11 7.188 -6.791 -10.942 1.00 0.00 C ATOM 148 O LYS A 11 8.111 -7.576 -11.155 1.00 0.00 O ATOM 149 CB LYS A 11 5.596 -8.733 -11.408 1.00 0.00 C ATOM 150 CG LYS A 11 4.215 -9.346 -11.298 1.00 0.00 C ATOM 151 CD LYS A 11 3.996 -10.514 -12.282 1.00 0.00 C ATOM 152 CE LYS A 11 3.399 -9.965 -13.590 1.00 0.00 C ATOM 153 NZ LYS A 11 3.036 -11.014 -14.563 1.00 0.00 N ATOM 0 H LYS A 11 4.832 -6.627 -12.575 1.00 0.00 H new ATOM 0 HA LYS A 11 5.464 -7.325 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.884 -8.720 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.303 -9.382 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.061 -9.702 -10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.466 -8.576 -11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.941 -11.019 -12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.326 -11.254 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.512 -9.377 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.118 -9.287 -14.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.641 -10.573 -15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.883 -11.561 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.327 -11.648 -14.142 1.00 0.00 H new ATOM 167 N ASP A 12 7.394 -5.478 -10.864 1.00 0.00 N ATOM 168 CA ASP A 12 8.703 -4.830 -10.933 1.00 0.00 C ATOM 169 C ASP A 12 8.683 -3.677 -9.947 1.00 0.00 C ATOM 170 O ASP A 12 7.669 -2.990 -9.795 1.00 0.00 O ATOM 171 CB ASP A 12 8.997 -4.261 -12.339 1.00 0.00 C ATOM 172 CG ASP A 12 10.031 -4.993 -13.197 1.00 0.00 C ATOM 173 OD1 ASP A 12 10.878 -5.760 -12.678 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.007 -4.773 -14.432 1.00 0.00 O ATOM 0 H ASP A 12 6.629 -4.813 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 12 9.474 -5.566 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.059 -4.234 -12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.328 -3.229 -12.221 1.00 0.00 H new ATOM 179 N LEU A 13 9.853 -3.407 -9.389 1.00 0.00 N ATOM 180 CA LEU A 13 10.191 -2.306 -8.482 1.00 0.00 C ATOM 181 C LEU A 13 10.219 -0.966 -9.236 1.00 0.00 C ATOM 182 O LEU A 13 10.188 0.112 -8.649 1.00 0.00 O ATOM 183 CB LEU A 13 11.560 -2.649 -7.865 1.00 0.00 C ATOM 184 CG LEU A 13 11.890 -2.138 -6.451 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.922 -0.618 -6.344 1.00 0.00 C ATOM 186 CD2 LEU A 13 10.977 -2.717 -5.372 1.00 0.00 C ATOM 0 H LEU A 13 10.663 -3.999 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 13 9.442 -2.193 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.653 -3.735 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.329 -2.271 -8.539 1.00 0.00 H new ATOM 0 HG LEU A 13 12.901 -2.504 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.161 -0.330 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.681 -0.222 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.947 -0.213 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.263 -2.316 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.943 -2.446 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.072 -3.803 -5.359 1.00 0.00 H new ATOM 198 N SER A 14 10.201 -1.014 -10.561 1.00 0.00 N ATOM 199 CA SER A 14 10.019 0.132 -11.425 1.00 0.00 C ATOM 200 C SER A 14 8.712 -0.036 -12.209 1.00 0.00 C ATOM 201 O SER A 14 8.625 0.290 -13.396 1.00 0.00 O ATOM 202 CB SER A 14 11.239 0.165 -12.335 1.00 0.00 C ATOM 203 OG SER A 14 11.588 1.471 -12.741 1.00 0.00 O ATOM 0 H SER A 14 10.317 -1.886 -11.077 1.00 0.00 H new ATOM 0 HA SER A 14 9.939 1.072 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.085 -0.287 -11.816 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.044 -0.444 -13.218 1.00 0.00 H new ATOM 0 HG SER A 14 12.377 1.433 -13.321 1.00 0.00 H new ATOM 209 N SER A 15 7.672 -0.563 -11.559 1.00 0.00 N ATOM 210 CA SER A 15 6.322 -0.429 -12.083 1.00 0.00 C ATOM 211 C SER A 15 5.698 0.848 -11.529 1.00 0.00 C ATOM 212 O SER A 15 6.186 1.394 -10.542 1.00 0.00 O ATOM 213 CB SER A 15 5.461 -1.621 -11.678 1.00 0.00 C ATOM 214 OG SER A 15 6.075 -2.837 -12.047 1.00 0.00 O ATOM 0 H SER A 15 7.742 -1.079 -10.682 1.00 0.00 H new ATOM 0 HA SER A 15 6.372 -0.389 -13.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.295 -1.605 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.482 -1.545 -12.152 1.00 0.00 H new ATOM 0 HG SER A 15 6.806 -3.036 -11.426 1.00 0.00 H new ATOM 220 N MET A 16 4.566 1.282 -12.067 1.00 0.00 N ATOM 221 CA MET A 16 3.886 2.475 -11.581 1.00 0.00 C ATOM 222 C MET A 16 3.130 2.129 -10.293 1.00 0.00 C ATOM 223 O MET A 16 2.597 1.025 -10.147 1.00 0.00 O ATOM 224 CB MET A 16 2.903 2.941 -12.668 1.00 0.00 C ATOM 225 CG MET A 16 3.441 4.116 -13.494 1.00 0.00 C ATOM 226 SD MET A 16 2.472 5.654 -13.399 1.00 0.00 S ATOM 227 CE MET A 16 2.334 5.895 -11.612 1.00 0.00 C ATOM 0 H MET A 16 4.096 0.821 -12.846 1.00 0.00 H new ATOM 0 HA MET A 16 4.600 3.270 -11.366 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.682 2.106 -13.333 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.963 3.233 -12.200 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.459 4.329 -13.169 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.497 3.807 -14.538 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.337 5.603 -11.281 1.00 0.00 H new ATOM 0 HE2 MET A 16 3.079 5.283 -11.104 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.502 6.945 -11.372 1.00 0.00 H new ATOM 237 N VAL A 17 3.121 3.066 -9.343 1.00 0.00 N ATOM 238 CA VAL A 17 2.344 2.962 -8.103 1.00 0.00 C ATOM 239 C VAL A 17 0.895 3.386 -8.391 1.00 0.00 C ATOM 240 O VAL A 17 0.624 4.161 -9.309 1.00 0.00 O ATOM 241 CB VAL A 17 3.046 3.765 -6.979 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.397 3.763 -5.591 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.432 3.181 -6.758 1.00 0.00 C ATOM 0 H VAL A 17 3.659 3.930 -9.413 1.00 0.00 H new ATOM 0 HA VAL A 17 2.297 1.936 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 17 3.006 4.790 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.997 4.364 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.393 4.183 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.339 2.740 -5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.939 3.736 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.344 2.135 -6.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.008 3.253 -7.680 1.00 0.00 H new ATOM 253 N SER A 18 -0.050 2.828 -7.642 1.00 0.00 N ATOM 254 CA SER A 18 -1.480 2.875 -7.902 1.00 0.00 C ATOM 255 C SER A 18 -2.180 3.776 -6.887 1.00 0.00 C ATOM 256 O SER A 18 -1.909 3.705 -5.684 1.00 0.00 O ATOM 257 CB SER A 18 -2.006 1.441 -7.827 1.00 0.00 C ATOM 258 OG SER A 18 -3.294 1.332 -8.400 1.00 0.00 O ATOM 0 H SER A 18 0.174 2.305 -6.795 1.00 0.00 H new ATOM 0 HA SER A 18 -1.680 3.295 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.318 0.772 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.041 1.119 -6.786 1.00 0.00 H new ATOM 0 HG SER A 18 -3.602 0.404 -8.338 1.00 0.00 H new ATOM 264 N ASP A 19 -3.136 4.592 -7.343 1.00 0.00 N ATOM 265 CA ASP A 19 -3.739 5.640 -6.509 1.00 0.00 C ATOM 266 C ASP A 19 -4.872 5.091 -5.620 1.00 0.00 C ATOM 267 O ASP A 19 -5.923 5.720 -5.417 1.00 0.00 O ATOM 268 CB ASP A 19 -4.372 6.747 -7.370 1.00 0.00 C ATOM 269 CG ASP A 19 -3.568 7.309 -8.526 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.319 7.285 -8.533 1.00 0.00 O ATOM 271 OD2 ASP A 19 -4.225 7.759 -9.496 1.00 0.00 O ATOM 0 H ASP A 19 -3.511 4.547 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.923 6.028 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.308 6.360 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.628 7.576 -6.710 1.00 0.00 H new ATOM 276 N ARG A 20 -4.715 3.875 -5.103 1.00 0.00 N ATOM 277 CA ARG A 20 -5.872 3.108 -4.661 1.00 0.00 C ATOM 278 C ARG A 20 -5.402 1.852 -3.958 1.00 0.00 C ATOM 279 O ARG A 20 -5.366 0.795 -4.574 1.00 0.00 O ATOM 280 CB ARG A 20 -6.801 2.775 -5.860 1.00 0.00 C ATOM 281 CG ARG A 20 -6.119 2.413 -7.191 1.00 0.00 C ATOM 282 CD ARG A 20 -7.154 2.267 -8.306 1.00 0.00 C ATOM 283 NE ARG A 20 -7.447 3.538 -8.990 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.586 3.883 -9.602 1.00 0.00 C ATOM 285 NH1 ARG A 20 -9.708 3.198 -9.437 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.588 4.954 -10.383 1.00 0.00 N ATOM 0 H ARG A 20 -3.816 3.408 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.455 3.703 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.443 1.943 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.450 3.633 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.397 3.185 -7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.564 1.482 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.793 1.543 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.077 1.865 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.699 4.232 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.721 2.380 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.559 3.489 -9.919 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.733 5.496 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.445 5.236 -10.860 1.00 0.00 H new ATOM 300 N PHE A 21 -5.099 1.922 -2.660 1.00 0.00 N ATOM 301 CA PHE A 21 -4.552 0.796 -1.937 1.00 0.00 C ATOM 302 C PHE A 21 -5.363 -0.491 -2.139 1.00 0.00 C ATOM 303 O PHE A 21 -4.799 -1.522 -2.478 1.00 0.00 O ATOM 304 CB PHE A 21 -4.452 1.171 -0.458 1.00 0.00 C ATOM 305 CG PHE A 21 -4.280 -0.052 0.394 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.170 -0.874 0.154 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.276 -0.447 1.302 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.032 -2.079 0.841 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.125 -1.647 2.010 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.989 -2.444 1.803 1.00 0.00 C ATOM 0 H PHE A 21 -5.229 2.760 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.560 0.577 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.610 1.846 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.350 1.708 -0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.421 -0.573 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.150 0.169 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.194 -2.729 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.882 -1.958 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.849 -3.342 2.386 1.00 0.00 H new ATOM 320 N ALA A 22 -6.687 -0.451 -1.948 1.00 0.00 N ATOM 321 CA ALA A 22 -7.503 -1.654 -1.972 1.00 0.00 C ATOM 322 C ALA A 22 -7.804 -2.117 -3.401 1.00 0.00 C ATOM 323 O ALA A 22 -8.499 -3.112 -3.579 1.00 0.00 O ATOM 324 CB ALA A 22 -8.795 -1.402 -1.187 1.00 0.00 C ATOM 0 H ALA A 22 -7.210 0.407 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.943 -2.461 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.411 -2.301 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.550 -1.147 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.344 -0.579 -1.644 1.00 0.00 H new ATOM 330 N ARG A 23 -7.311 -1.403 -4.419 1.00 0.00 N ATOM 331 CA ARG A 23 -7.584 -1.659 -5.821 1.00 0.00 C ATOM 332 C ARG A 23 -6.285 -1.656 -6.608 1.00 0.00 C ATOM 333 O ARG A 23 -6.217 -1.173 -7.738 1.00 0.00 O ATOM 334 CB ARG A 23 -8.545 -0.573 -6.315 1.00 0.00 C ATOM 335 CG ARG A 23 -9.833 -1.238 -6.758 1.00 0.00 C ATOM 336 CD ARG A 23 -9.624 -1.942 -8.123 1.00 0.00 C ATOM 337 NE ARG A 23 -9.956 -1.051 -9.250 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.182 -0.596 -9.538 1.00 0.00 C ATOM 339 NH1 ARG A 23 -12.238 -1.064 -8.881 1.00 0.00 N ATOM 340 NH2 ARG A 23 -11.357 0.326 -10.470 1.00 0.00 N ATOM 0 H ARG A 23 -6.691 -0.606 -4.275 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.043 -2.638 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.744 0.147 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.100 -0.020 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.153 -1.964 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.626 -0.495 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.588 -2.268 -8.210 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.245 -2.837 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.191 -0.758 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.115 -1.771 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.171 -0.716 -9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.554 0.697 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.295 0.666 -10.682 1.00 0.00 H new ATOM 354 N ALA A 24 -5.247 -2.209 -6.006 1.00 0.00 N ATOM 355 CA ALA A 24 -3.933 -2.156 -6.575 1.00 0.00 C ATOM 356 C ALA A 24 -3.531 -3.598 -6.815 1.00 0.00 C ATOM 357 O ALA A 24 -3.840 -4.454 -5.987 1.00 0.00 O ATOM 358 CB ALA A 24 -3.010 -1.449 -5.593 1.00 0.00 C ATOM 0 H ALA A 24 -5.301 -2.702 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.885 -1.601 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.004 -1.400 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.377 -0.439 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.986 -2.001 -4.654 1.00 0.00 H new ATOM 364 N GLU A 25 -2.840 -3.889 -7.905 1.00 0.00 N ATOM 365 CA GLU A 25 -2.815 -5.246 -8.438 1.00 0.00 C ATOM 366 C GLU A 25 -1.661 -6.100 -7.913 1.00 0.00 C ATOM 367 O GLU A 25 -1.756 -7.329 -7.947 1.00 0.00 O ATOM 368 CB GLU A 25 -2.807 -5.136 -9.965 1.00 0.00 C ATOM 369 CG GLU A 25 -4.189 -4.710 -10.471 1.00 0.00 C ATOM 370 CD GLU A 25 -4.412 -5.085 -11.934 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.932 -6.199 -12.202 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.134 -4.256 -12.822 1.00 0.00 O ATOM 0 H GLU A 25 -2.292 -3.212 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.703 -5.776 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.057 -4.411 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.530 -6.094 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.958 -5.178 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.300 -3.632 -10.354 1.00 0.00 H new ATOM 379 N TYR A 26 -0.593 -5.487 -7.400 1.00 0.00 N ATOM 380 CA TYR A 26 0.581 -6.173 -6.926 1.00 0.00 C ATOM 381 C TYR A 26 1.127 -5.377 -5.755 1.00 0.00 C ATOM 382 O TYR A 26 1.384 -4.184 -5.882 1.00 0.00 O ATOM 383 CB TYR A 26 1.631 -6.183 -8.037 1.00 0.00 C ATOM 384 CG TYR A 26 1.234 -6.911 -9.297 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.568 -6.212 -10.320 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.582 -8.259 -9.472 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.241 -6.853 -11.522 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.269 -8.903 -10.678 1.00 0.00 C ATOM 389 CZ TYR A 26 0.574 -8.213 -11.697 1.00 0.00 C ATOM 390 OH TYR A 26 0.277 -8.844 -12.862 1.00 0.00 O ATOM 0 H TYR A 26 -0.532 -4.473 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 26 0.343 -7.196 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.873 -5.152 -8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.543 -6.636 -7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.307 -5.174 -10.178 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.087 -8.797 -8.684 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.262 -6.310 -12.309 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.561 -9.932 -10.829 1.00 0.00 H new ATOM 0 HH TYR A 26 0.295 -8.197 -13.598 1.00 0.00 H new ATOM 400 N PHE A 27 1.301 -6.017 -4.610 1.00 0.00 N ATOM 401 CA PHE A 27 1.791 -5.342 -3.415 1.00 0.00 C ATOM 402 C PHE A 27 3.255 -5.705 -3.260 1.00 0.00 C ATOM 403 O PHE A 27 3.588 -6.849 -2.952 1.00 0.00 O ATOM 404 CB PHE A 27 0.963 -5.674 -2.173 1.00 0.00 C ATOM 405 CG PHE A 27 -0.461 -5.181 -2.253 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.762 -3.836 -1.971 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.477 -6.052 -2.685 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.078 -3.372 -2.133 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.795 -5.590 -2.811 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.094 -4.247 -2.549 1.00 0.00 C ATOM 0 H PHE A 27 1.109 -7.010 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 27 1.688 -4.263 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.958 -6.754 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.443 -5.236 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.013 -3.165 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.242 -7.079 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.310 -2.336 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.579 -6.270 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.105 -3.885 -2.667 1.00 0.00 H new ATOM 420 N ILE A 28 4.112 -4.733 -3.528 1.00 0.00 N ATOM 421 CA ILE A 28 5.553 -4.818 -3.358 1.00 0.00 C ATOM 422 C ILE A 28 5.777 -4.544 -1.887 1.00 0.00 C ATOM 423 O ILE A 28 5.378 -3.493 -1.392 1.00 0.00 O ATOM 424 CB ILE A 28 6.245 -3.858 -4.343 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.655 -3.971 -5.772 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.753 -4.133 -4.340 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.496 -5.390 -6.327 1.00 0.00 C ATOM 0 H ILE A 28 3.810 -3.826 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 28 5.994 -5.785 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 28 6.065 -2.834 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.677 -3.489 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.293 -3.407 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.248 -3.456 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.150 -3.976 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.936 -5.163 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.075 -5.343 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.470 -5.877 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.829 -5.961 -5.681 1.00 0.00 H new ATOM 439 N ILE A 29 6.272 -5.542 -1.165 1.00 0.00 N ATOM 440 CA ILE A 29 6.342 -5.542 0.287 1.00 0.00 C ATOM 441 C ILE A 29 7.815 -5.437 0.590 1.00 0.00 C ATOM 442 O ILE A 29 8.559 -6.375 0.321 1.00 0.00 O ATOM 443 CB ILE A 29 5.657 -6.811 0.828 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.144 -6.658 0.588 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.044 -7.260 2.259 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.388 -7.938 0.879 1.00 0.00 C ATOM 0 H ILE A 29 6.644 -6.393 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 29 5.815 -4.721 0.773 1.00 0.00 H new ATOM 0 HB ILE A 29 6.044 -7.662 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.757 -5.858 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.970 -6.362 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.492 -8.164 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.114 -7.464 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.798 -6.469 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.325 -7.782 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.755 -8.733 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.539 -8.221 1.921 1.00 0.00 H new ATOM 458 N TYR A 30 8.233 -4.263 1.051 1.00 0.00 N ATOM 459 CA TYR A 30 9.618 -4.000 1.371 1.00 0.00 C ATOM 460 C TYR A 30 9.848 -4.412 2.819 1.00 0.00 C ATOM 461 O TYR A 30 9.232 -3.836 3.712 1.00 0.00 O ATOM 462 CB TYR A 30 9.884 -2.493 1.189 1.00 0.00 C ATOM 463 CG TYR A 30 11.325 -2.064 1.383 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.357 -2.966 1.093 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.651 -0.795 1.899 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.685 -2.672 1.390 1.00 0.00 C ATOM 467 CE2 TYR A 30 12.986 -0.501 2.245 1.00 0.00 C ATOM 468 CZ TYR A 30 14.003 -1.458 2.024 1.00 0.00 C ATOM 469 OH TYR A 30 15.270 -1.239 2.460 1.00 0.00 O ATOM 0 H TYR A 30 7.613 -3.469 1.211 1.00 0.00 H new ATOM 0 HA TYR A 30 10.292 -4.558 0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.567 -2.203 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.260 -1.943 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.117 -3.911 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 30 10.881 -0.049 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.466 -3.372 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.232 0.457 2.679 1.00 0.00 H new ATOM 0 HH TYR A 30 15.325 -0.353 2.874 1.00 0.00 H new ATOM 479 N ASP A 31 10.701 -5.400 3.053 1.00 0.00 N ATOM 480 CA ASP A 31 11.216 -5.816 4.345 1.00 0.00 C ATOM 481 C ASP A 31 12.332 -4.854 4.742 1.00 0.00 C ATOM 482 O ASP A 31 13.463 -4.958 4.256 1.00 0.00 O ATOM 483 CB ASP A 31 11.733 -7.264 4.253 1.00 0.00 C ATOM 484 CG ASP A 31 10.898 -8.232 5.074 1.00 0.00 C ATOM 485 OD1 ASP A 31 10.982 -8.153 6.321 1.00 0.00 O ATOM 486 OD2 ASP A 31 10.186 -9.066 4.461 1.00 0.00 O ATOM 0 H ASP A 31 11.075 -5.968 2.293 1.00 0.00 H new ATOM 0 HA ASP A 31 10.433 -5.791 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.732 -7.582 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.767 -7.300 4.596 1.00 0.00 H new ATOM 491 N THR A 32 12.037 -3.903 5.626 1.00 0.00 N ATOM 492 CA THR A 32 12.941 -2.807 5.960 1.00 0.00 C ATOM 493 C THR A 32 13.914 -3.210 7.072 1.00 0.00 C ATOM 494 O THR A 32 14.495 -2.378 7.784 1.00 0.00 O ATOM 495 CB THR A 32 12.151 -1.513 6.215 1.00 0.00 C ATOM 496 OG1 THR A 32 11.581 -1.433 7.502 1.00 0.00 O ATOM 497 CG2 THR A 32 11.004 -1.322 5.212 1.00 0.00 C ATOM 0 H THR A 32 11.154 -3.872 6.135 1.00 0.00 H new ATOM 0 HA THR A 32 13.582 -2.585 5.107 1.00 0.00 H new ATOM 0 HB THR A 32 12.904 -0.733 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.609 -1.335 7.424 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.477 -0.394 5.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.409 -1.276 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.311 -2.160 5.288 1.00 0.00 H new ATOM 505 N GLU A 33 14.105 -4.519 7.203 1.00 0.00 N ATOM 506 CA GLU A 33 15.150 -5.127 7.978 1.00 0.00 C ATOM 507 C GLU A 33 16.110 -5.585 6.924 1.00 0.00 C ATOM 508 O GLU A 33 16.915 -4.749 6.509 1.00 0.00 O ATOM 509 CB GLU A 33 14.636 -6.171 8.993 1.00 0.00 C ATOM 510 CG GLU A 33 13.905 -5.461 10.149 1.00 0.00 C ATOM 511 CD GLU A 33 13.677 -6.358 11.370 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.604 -6.496 12.207 1.00 0.00 O ATOM 513 OE2 GLU A 33 12.551 -6.880 11.548 1.00 0.00 O ATOM 0 H GLU A 33 13.502 -5.204 6.747 1.00 0.00 H new ATOM 0 HA GLU A 33 15.651 -4.459 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.961 -6.870 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.470 -6.754 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.483 -4.588 10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.942 -5.097 9.791 1.00 0.00 H new ATOM 520 N SER A 34 15.995 -6.800 6.390 1.00 0.00 N ATOM 521 CA SER A 34 17.131 -7.303 5.633 1.00 0.00 C ATOM 522 C SER A 34 17.057 -6.908 4.151 1.00 0.00 C ATOM 523 O SER A 34 17.500 -7.662 3.288 1.00 0.00 O ATOM 524 CB SER A 34 17.232 -8.824 5.824 1.00 0.00 C ATOM 525 OG SER A 34 18.595 -9.209 5.884 1.00 0.00 O ATOM 0 H SER A 34 15.185 -7.416 6.460 1.00 0.00 H new ATOM 0 HA SER A 34 18.041 -6.841 6.015 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.720 -9.120 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.735 -9.337 5.001 1.00 0.00 H new ATOM 0 HG SER A 34 18.656 -10.179 6.007 1.00 0.00 H new ATOM 531 N GLY A 35 16.579 -5.696 3.860 1.00 0.00 N ATOM 532 CA GLY A 35 16.520 -5.076 2.545 1.00 0.00 C ATOM 533 C GLY A 35 15.869 -5.942 1.466 1.00 0.00 C ATOM 534 O GLY A 35 16.146 -5.775 0.277 1.00 0.00 O ATOM 0 H GLY A 35 16.200 -5.088 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.969 -4.139 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.533 -4.825 2.230 1.00 0.00 H new ATOM 538 N ASN A 36 15.020 -6.880 1.876 1.00 0.00 N ATOM 539 CA ASN A 36 14.320 -7.783 0.978 1.00 0.00 C ATOM 540 C ASN A 36 13.094 -7.058 0.445 1.00 0.00 C ATOM 541 O ASN A 36 12.551 -6.181 1.110 1.00 0.00 O ATOM 542 CB ASN A 36 13.924 -9.057 1.745 1.00 0.00 C ATOM 543 CG ASN A 36 15.110 -9.939 2.084 1.00 0.00 C ATOM 544 OD1 ASN A 36 15.952 -10.209 1.234 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.192 -10.447 3.302 1.00 0.00 N ATOM 0 H ASN A 36 14.798 -7.034 2.860 1.00 0.00 H new ATOM 0 HA ASN A 36 14.955 -8.078 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.413 -8.776 2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.213 -9.628 1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.962 -11.071 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.485 -10.215 4.000 1.00 0.00 H new ATOM 552 N VAL A 37 12.616 -7.446 -0.729 1.00 0.00 N ATOM 553 CA VAL A 37 11.342 -7.011 -1.270 1.00 0.00 C ATOM 554 C VAL A 37 10.707 -8.237 -1.905 1.00 0.00 C ATOM 555 O VAL A 37 11.389 -8.961 -2.643 1.00 0.00 O ATOM 556 CB VAL A 37 11.479 -5.892 -2.328 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.215 -5.024 -2.317 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.676 -4.942 -2.203 1.00 0.00 C ATOM 0 H VAL A 37 13.117 -8.087 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 37 10.738 -6.589 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 37 11.637 -6.445 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.309 -4.234 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.348 -5.641 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.088 -4.578 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.645 -4.210 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.633 -4.427 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.602 -5.513 -2.267 1.00 0.00 H new ATOM 568 N GLU A 38 9.412 -8.436 -1.690 1.00 0.00 N ATOM 569 CA GLU A 38 8.631 -9.497 -2.309 1.00 0.00 C ATOM 570 C GLU A 38 7.443 -8.909 -3.076 1.00 0.00 C ATOM 571 O GLU A 38 7.041 -7.771 -2.832 1.00 0.00 O ATOM 572 CB GLU A 38 8.207 -10.522 -1.251 1.00 0.00 C ATOM 573 CG GLU A 38 7.313 -9.977 -0.141 1.00 0.00 C ATOM 574 CD GLU A 38 6.890 -11.093 0.810 1.00 0.00 C ATOM 575 OE1 GLU A 38 6.061 -11.925 0.370 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.348 -11.197 1.965 1.00 0.00 O ATOM 0 H GLU A 38 8.863 -7.848 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 38 9.244 -10.025 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.684 -11.339 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.104 -10.946 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.844 -9.203 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.430 -9.509 -0.576 1.00 0.00 H new ATOM 583 N VAL A 39 6.846 -9.705 -3.966 1.00 0.00 N ATOM 584 CA VAL A 39 5.765 -9.300 -4.870 1.00 0.00 C ATOM 585 C VAL A 39 4.540 -10.150 -4.558 1.00 0.00 C ATOM 586 O VAL A 39 4.482 -11.335 -4.910 1.00 0.00 O ATOM 587 CB VAL A 39 6.156 -9.434 -6.362 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.031 -8.890 -7.272 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.491 -8.746 -6.683 1.00 0.00 C ATOM 0 H VAL A 39 7.110 -10.683 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 39 5.552 -8.244 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 39 6.289 -10.497 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.326 -8.993 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.115 -9.455 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.857 -7.838 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.719 -8.870 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.418 -7.684 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.285 -9.196 -6.086 1.00 0.00 H new ATOM 599 N VAL A 40 3.562 -9.564 -3.880 1.00 0.00 N ATOM 600 CA VAL A 40 2.230 -10.138 -3.835 1.00 0.00 C ATOM 601 C VAL A 40 1.538 -9.774 -5.147 1.00 0.00 C ATOM 602 O VAL A 40 1.792 -8.723 -5.730 1.00 0.00 O ATOM 603 CB VAL A 40 1.489 -9.596 -2.600 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.040 -9.723 -2.670 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.972 -10.323 -1.342 1.00 0.00 C ATOM 0 H VAL A 40 3.668 -8.695 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 40 2.248 -11.224 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 40 1.721 -8.532 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.481 -9.317 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.412 -9.169 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.314 -10.773 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.443 -9.934 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.774 -11.390 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.043 -10.162 -1.218 1.00 0.00 H new ATOM 615 N GLU A 41 0.615 -10.632 -5.550 1.00 0.00 N ATOM 616 CA GLU A 41 -0.281 -10.559 -6.688 1.00 0.00 C ATOM 617 C GLU A 41 -1.674 -10.600 -6.077 1.00 0.00 C ATOM 618 O GLU A 41 -1.965 -11.518 -5.295 1.00 0.00 O ATOM 619 CB GLU A 41 -0.011 -11.820 -7.507 1.00 0.00 C ATOM 620 CG GLU A 41 -0.813 -12.067 -8.779 1.00 0.00 C ATOM 621 CD GLU A 41 -0.539 -13.494 -9.285 1.00 0.00 C ATOM 622 OE1 GLU A 41 0.593 -14.003 -9.114 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.464 -14.125 -9.854 1.00 0.00 O ATOM 0 H GLU A 41 0.460 -11.493 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.163 -9.680 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.044 -11.814 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.165 -12.677 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.877 -11.937 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.538 -11.339 -9.543 1.00 0.00 H new ATOM 630 N ASN A 42 -2.524 -9.612 -6.343 1.00 0.00 N ATOM 631 CA ASN A 42 -3.851 -9.587 -5.746 1.00 0.00 C ATOM 632 C ASN A 42 -4.834 -9.003 -6.737 1.00 0.00 C ATOM 633 O ASN A 42 -4.755 -7.831 -7.113 1.00 0.00 O ATOM 634 CB ASN A 42 -3.854 -8.806 -4.436 1.00 0.00 C ATOM 635 CG ASN A 42 -4.988 -9.287 -3.543 1.00 0.00 C ATOM 636 OD1 ASN A 42 -6.079 -9.626 -3.991 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.766 -9.358 -2.249 1.00 0.00 N ATOM 0 H ASN A 42 -2.319 -8.827 -6.961 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.152 -10.607 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.900 -8.934 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.967 -7.741 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.499 -9.693 -1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.861 -9.078 -1.871 1.00 0.00 H new ATOM 644 N THR A 43 -5.747 -9.840 -7.198 1.00 0.00 N ATOM 645 CA THR A 43 -6.495 -9.573 -8.401 1.00 0.00 C ATOM 646 C THR A 43 -7.817 -8.912 -7.993 1.00 0.00 C ATOM 647 O THR A 43 -8.885 -9.516 -8.092 1.00 0.00 O ATOM 648 CB THR A 43 -6.531 -10.886 -9.217 1.00 0.00 C ATOM 649 OG1 THR A 43 -7.073 -11.976 -8.487 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.090 -11.295 -9.595 1.00 0.00 C ATOM 0 H THR A 43 -5.986 -10.722 -6.745 1.00 0.00 H new ATOM 0 HA THR A 43 -6.055 -8.850 -9.088 1.00 0.00 H new ATOM 0 HB THR A 43 -7.157 -10.686 -10.086 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.900 -11.694 -8.043 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.114 -12.221 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.633 -10.507 -10.194 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.505 -11.446 -8.688 1.00 0.00 H new ATOM 658 N ILE A 44 -7.746 -7.701 -7.421 1.00 0.00 N ATOM 659 CA ILE A 44 -8.919 -6.968 -6.958 1.00 0.00 C ATOM 660 C ILE A 44 -9.652 -6.270 -8.102 1.00 0.00 C ATOM 661 O ILE A 44 -9.149 -6.094 -9.212 1.00 0.00 O ATOM 662 CB ILE A 44 -8.604 -5.979 -5.800 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.147 -5.490 -5.664 1.00 0.00 C ATOM 664 CG2 ILE A 44 -9.157 -6.593 -4.507 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.279 -6.352 -4.754 1.00 0.00 C ATOM 0 H ILE A 44 -6.867 -7.206 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.591 -7.721 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.102 -5.040 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.693 -5.456 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.153 -4.469 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.953 -5.924 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.233 -6.736 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.678 -7.555 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.271 -5.939 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.705 -6.366 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.239 -7.368 -5.146 1.00 0.00 H new ATOM 677 N ALA A 45 -10.882 -5.861 -7.797 1.00 0.00 N ATOM 678 CA ALA A 45 -11.869 -5.369 -8.739 1.00 0.00 C ATOM 679 C ALA A 45 -12.766 -4.340 -8.037 1.00 0.00 C ATOM 680 O ALA A 45 -12.293 -3.444 -7.327 1.00 0.00 O ATOM 681 CB ALA A 45 -12.622 -6.574 -9.323 1.00 0.00 C ATOM 0 H ALA A 45 -11.228 -5.866 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.413 -4.845 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.370 -6.225 -10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.917 -7.232 -9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.114 -7.120 -8.518 1.00 0.00 H new ATOM 687 N ASP A 46 -14.061 -4.391 -8.312 1.00 0.00 N ATOM 688 CA ASP A 46 -15.039 -3.346 -7.999 1.00 0.00 C ATOM 689 C ASP A 46 -16.299 -3.986 -7.413 1.00 0.00 C ATOM 690 O ASP A 46 -17.429 -3.589 -7.700 1.00 0.00 O ATOM 691 CB ASP A 46 -15.324 -2.560 -9.292 1.00 0.00 C ATOM 692 CG ASP A 46 -15.719 -1.114 -9.022 1.00 0.00 C ATOM 693 OD1 ASP A 46 -14.895 -0.421 -8.377 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.712 -0.635 -9.615 1.00 0.00 O ATOM 0 H ASP A 46 -14.482 -5.194 -8.779 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.658 -2.652 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.438 -2.579 -9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.123 -3.054 -9.845 1.00 0.00 H new ATOM 699 N ALA A 47 -16.083 -5.009 -6.586 1.00 0.00 N ATOM 700 CA ALA A 47 -17.104 -5.808 -5.936 1.00 0.00 C ATOM 701 C ALA A 47 -17.381 -5.257 -4.535 1.00 0.00 C ATOM 702 O ALA A 47 -16.802 -4.246 -4.116 1.00 0.00 O ATOM 703 CB ALA A 47 -16.619 -7.263 -5.883 1.00 0.00 C ATOM 0 H ALA A 47 -15.140 -5.313 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 47 -18.039 -5.767 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.374 -7.881 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.450 -7.627 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.688 -7.316 -5.318 1.00 0.00 H new ATOM 709 N HIS A 48 -18.234 -5.956 -3.784 1.00 0.00 N ATOM 710 CA HIS A 48 -18.441 -5.695 -2.367 1.00 0.00 C ATOM 711 C HIS A 48 -17.098 -5.832 -1.634 1.00 0.00 C ATOM 712 O HIS A 48 -16.188 -6.534 -2.098 1.00 0.00 O ATOM 713 CB HIS A 48 -19.510 -6.644 -1.784 1.00 0.00 C ATOM 714 CG HIS A 48 -20.535 -7.147 -2.776 1.00 0.00 C ATOM 715 ND1 HIS A 48 -20.579 -8.420 -3.304 1.00 0.00 N ATOM 716 CD2 HIS A 48 -21.520 -6.410 -3.383 1.00 0.00 C ATOM 717 CE1 HIS A 48 -21.560 -8.448 -4.218 1.00 0.00 C ATOM 718 NE2 HIS A 48 -22.157 -7.246 -4.310 1.00 0.00 N ATOM 0 H HIS A 48 -18.801 -6.722 -4.148 1.00 0.00 H new ATOM 0 HA HIS A 48 -18.813 -4.680 -2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -19.007 -7.502 -1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -20.031 -6.127 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -21.760 -5.376 -3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -21.833 -9.316 -4.800 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -22.924 -6.992 -4.933 1.00 0.00 H new ATOM 726 N GLY A 49 -16.979 -5.194 -0.465 1.00 0.00 N ATOM 727 CA GLY A 49 -15.785 -5.306 0.364 1.00 0.00 C ATOM 728 C GLY A 49 -15.548 -6.771 0.711 1.00 0.00 C ATOM 729 O GLY A 49 -14.580 -7.363 0.237 1.00 0.00 O ATOM 0 H GLY A 49 -17.703 -4.592 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.922 -4.901 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.904 -4.719 1.275 1.00 0.00 H new ATOM 733 N THR A 50 -16.495 -7.384 1.424 1.00 0.00 N ATOM 734 CA THR A 50 -16.398 -8.732 1.975 1.00 0.00 C ATOM 735 C THR A 50 -15.283 -8.767 3.032 1.00 0.00 C ATOM 736 O THR A 50 -15.212 -7.844 3.849 1.00 0.00 O ATOM 737 CB THR A 50 -16.375 -9.818 0.874 1.00 0.00 C ATOM 738 OG1 THR A 50 -15.120 -9.952 0.241 1.00 0.00 O ATOM 739 CG2 THR A 50 -17.430 -9.606 -0.217 1.00 0.00 C ATOM 0 H THR A 50 -17.385 -6.935 1.640 1.00 0.00 H new ATOM 0 HA THR A 50 -17.306 -9.000 2.516 1.00 0.00 H new ATOM 0 HB THR A 50 -16.602 -10.732 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.645 -9.095 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.356 -10.405 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.424 -9.617 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.262 -8.645 -0.704 1.00 0.00 H new ATOM 747 N GLY A 51 -14.437 -9.798 3.063 1.00 0.00 N ATOM 748 CA GLY A 51 -13.204 -9.750 3.831 1.00 0.00 C ATOM 749 C GLY A 51 -12.284 -8.670 3.259 1.00 0.00 C ATOM 750 O GLY A 51 -12.525 -8.169 2.159 1.00 0.00 O ATOM 0 H GLY A 51 -14.588 -10.674 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.424 -9.538 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.707 -10.719 3.800 1.00 0.00 H new ATOM 754 N PRO A 52 -11.180 -8.336 3.943 1.00 0.00 N ATOM 755 CA PRO A 52 -10.248 -7.336 3.448 1.00 0.00 C ATOM 756 C PRO A 52 -9.649 -7.710 2.090 1.00 0.00 C ATOM 757 O PRO A 52 -9.276 -6.796 1.352 1.00 0.00 O ATOM 758 CB PRO A 52 -9.157 -7.227 4.487 1.00 0.00 C ATOM 759 CG PRO A 52 -9.232 -8.536 5.255 1.00 0.00 C ATOM 760 CD PRO A 52 -10.711 -8.910 5.194 1.00 0.00 C ATOM 0 HA PRO A 52 -10.768 -6.390 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.179 -7.094 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.318 -6.372 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.606 -9.303 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.892 -8.416 6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.848 -9.991 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.258 -8.506 6.046 1.00 0.00 H new ATOM 768 N LYS A 53 -9.544 -9.009 1.762 1.00 0.00 N ATOM 769 CA LYS A 53 -8.857 -9.561 0.594 1.00 0.00 C ATOM 770 C LYS A 53 -7.368 -9.244 0.691 1.00 0.00 C ATOM 771 O LYS A 53 -6.602 -10.060 1.202 1.00 0.00 O ATOM 772 CB LYS A 53 -9.577 -9.168 -0.717 1.00 0.00 C ATOM 773 CG LYS A 53 -10.996 -9.780 -0.758 1.00 0.00 C ATOM 774 CD LYS A 53 -11.904 -9.228 -1.865 1.00 0.00 C ATOM 775 CE LYS A 53 -12.201 -7.736 -1.661 1.00 0.00 C ATOM 776 NZ LYS A 53 -13.314 -7.261 -2.512 1.00 0.00 N ATOM 0 H LYS A 53 -9.961 -9.738 2.340 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.910 -10.650 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.640 -8.082 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.000 -9.515 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.907 -10.859 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.477 -9.611 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.428 -9.375 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.840 -9.787 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.446 -7.557 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.305 -7.156 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.047 -6.363 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.517 -7.970 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.161 -7.116 -1.927 1.00 0.00 H new ATOM 790 N VAL A 54 -6.979 -8.025 0.342 1.00 0.00 N ATOM 791 CA VAL A 54 -5.621 -7.510 0.405 1.00 0.00 C ATOM 792 C VAL A 54 -5.028 -7.649 1.810 1.00 0.00 C ATOM 793 O VAL A 54 -3.969 -8.248 2.006 1.00 0.00 O ATOM 794 CB VAL A 54 -5.586 -6.084 -0.201 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.853 -5.233 0.007 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.368 -5.288 0.260 1.00 0.00 C ATOM 0 H VAL A 54 -7.640 -7.333 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.954 -8.114 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.525 -6.283 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.716 -4.257 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.707 -5.735 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.034 -5.104 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.389 -4.296 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.385 -5.193 1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.458 -5.806 -0.044 1.00 0.00 H new ATOM 806 N VAL A 55 -5.698 -7.074 2.802 1.00 0.00 N ATOM 807 CA VAL A 55 -5.174 -6.964 4.160 1.00 0.00 C ATOM 808 C VAL A 55 -4.996 -8.349 4.766 1.00 0.00 C ATOM 809 O VAL A 55 -3.953 -8.555 5.356 1.00 0.00 O ATOM 810 CB VAL A 55 -6.008 -5.950 4.977 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.203 -5.346 6.114 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.537 -4.785 4.105 1.00 0.00 C ATOM 0 H VAL A 55 -6.627 -6.668 2.687 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.170 -6.540 4.165 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.848 -6.521 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.824 -4.639 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.872 -6.138 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.334 -4.827 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.116 -4.101 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.696 -4.251 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.172 -5.182 3.313 1.00 0.00 H new ATOM 822 N GLN A 56 -5.853 -9.333 4.475 1.00 0.00 N ATOM 823 CA GLN A 56 -5.655 -10.724 4.883 1.00 0.00 C ATOM 824 C GLN A 56 -4.327 -11.333 4.388 1.00 0.00 C ATOM 825 O GLN A 56 -3.942 -12.391 4.879 1.00 0.00 O ATOM 826 CB GLN A 56 -6.822 -11.598 4.374 1.00 0.00 C ATOM 827 CG GLN A 56 -8.010 -11.732 5.345 1.00 0.00 C ATOM 828 CD GLN A 56 -8.210 -13.117 5.961 1.00 0.00 C ATOM 829 OE1 GLN A 56 -7.820 -14.153 5.422 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.873 -13.181 7.101 1.00 0.00 N ATOM 0 H GLN A 56 -6.711 -9.183 3.945 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.620 -10.712 5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.186 -11.180 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.440 -12.594 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.879 -11.011 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.921 -11.455 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.198 -12.325 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.060 -14.086 7.532 1.00 0.00 H new ATOM 839 N SER A 57 -3.639 -10.742 3.406 1.00 0.00 N ATOM 840 CA SER A 57 -2.309 -11.162 2.975 1.00 0.00 C ATOM 841 C SER A 57 -1.246 -10.278 3.626 1.00 0.00 C ATOM 842 O SER A 57 -0.254 -10.790 4.141 1.00 0.00 O ATOM 843 CB SER A 57 -2.234 -11.098 1.442 1.00 0.00 C ATOM 844 OG SER A 57 -1.201 -11.918 0.926 1.00 0.00 O ATOM 0 H SER A 57 -4.000 -9.945 2.882 1.00 0.00 H new ATOM 0 HA SER A 57 -2.121 -12.189 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.189 -11.409 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.068 -10.067 1.130 1.00 0.00 H new ATOM 0 HG SER A 57 -1.187 -11.851 -0.052 1.00 0.00 H new ATOM 850 N LEU A 58 -1.439 -8.955 3.617 1.00 0.00 N ATOM 851 CA LEU A 58 -0.433 -8.000 4.085 1.00 0.00 C ATOM 852 C LEU A 58 -0.229 -8.078 5.599 1.00 0.00 C ATOM 853 O LEU A 58 0.900 -8.017 6.073 1.00 0.00 O ATOM 854 CB LEU A 58 -0.817 -6.578 3.651 1.00 0.00 C ATOM 855 CG LEU A 58 -0.883 -6.380 2.125 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.262 -4.936 1.811 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.430 -6.704 1.430 1.00 0.00 C ATOM 0 H LEU A 58 -2.298 -8.517 3.285 1.00 0.00 H new ATOM 0 HA LEU A 58 0.520 -8.264 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.787 -6.328 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.094 -5.876 4.066 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.636 -7.073 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.308 -4.799 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.236 -4.712 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.514 -4.264 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.322 -6.546 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.216 -6.054 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.694 -7.744 1.619 1.00 0.00 H new ATOM 869 N VAL A 59 -1.296 -8.284 6.362 1.00 0.00 N ATOM 870 CA VAL A 59 -1.228 -8.641 7.775 1.00 0.00 C ATOM 871 C VAL A 59 -0.313 -9.852 7.934 1.00 0.00 C ATOM 872 O VAL A 59 0.662 -9.798 8.676 1.00 0.00 O ATOM 873 CB VAL A 59 -2.676 -8.868 8.240 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.938 -9.934 9.295 1.00 0.00 C ATOM 875 CG2 VAL A 59 -3.288 -7.535 8.668 1.00 0.00 C ATOM 0 H VAL A 59 -2.250 -8.206 6.010 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.794 -7.863 8.403 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.161 -9.288 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.005 -9.973 9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.609 -10.904 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.388 -9.690 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.315 -7.695 8.998 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.705 -7.113 9.487 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.281 -6.844 7.825 1.00 0.00 H new ATOM 885 N SER A 60 -0.545 -10.904 7.149 1.00 0.00 N ATOM 886 CA SER A 60 0.282 -12.093 7.163 1.00 0.00 C ATOM 887 C SER A 60 1.645 -11.920 6.470 1.00 0.00 C ATOM 888 O SER A 60 2.323 -12.914 6.195 1.00 0.00 O ATOM 889 CB SER A 60 -0.517 -13.252 6.575 1.00 0.00 C ATOM 890 OG SER A 60 -1.466 -13.678 7.530 1.00 0.00 O ATOM 0 H SER A 60 -1.318 -10.948 6.485 1.00 0.00 H new ATOM 0 HA SER A 60 0.538 -12.306 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.017 -12.939 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.148 -14.074 6.311 1.00 0.00 H new ATOM 0 HG SER A 60 -1.988 -14.422 7.163 1.00 0.00 H new ATOM 896 N LYS A 61 2.061 -10.688 6.169 1.00 0.00 N ATOM 897 CA LYS A 61 3.430 -10.318 5.840 1.00 0.00 C ATOM 898 C LYS A 61 3.851 -9.154 6.734 1.00 0.00 C ATOM 899 O LYS A 61 4.632 -8.315 6.301 1.00 0.00 O ATOM 900 CB LYS A 61 3.484 -9.964 4.335 1.00 0.00 C ATOM 901 CG LYS A 61 3.671 -11.218 3.481 1.00 0.00 C ATOM 902 CD LYS A 61 2.650 -11.417 2.356 1.00 0.00 C ATOM 903 CE LYS A 61 3.281 -12.415 1.383 1.00 0.00 C ATOM 904 NZ LYS A 61 2.318 -13.151 0.549 1.00 0.00 N ATOM 0 H LYS A 61 1.424 -9.892 6.148 1.00 0.00 H new ATOM 0 HA LYS A 61 4.128 -11.135 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.564 -9.456 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.303 -9.269 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.668 -11.189 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.637 -12.089 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.707 -11.798 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.430 -10.473 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.971 -11.880 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.872 -13.133 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.769 -13.418 -0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.009 -14.009 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.494 -12.547 0.356 1.00 0.00 H new ATOM 918 N GLY A 62 3.427 -9.150 8.001 1.00 0.00 N ATOM 919 CA GLY A 62 3.834 -8.200 9.038 1.00 0.00 C ATOM 920 C GLY A 62 3.999 -6.756 8.549 1.00 0.00 C ATOM 921 O GLY A 62 4.982 -6.093 8.892 1.00 0.00 O ATOM 0 H GLY A 62 2.761 -9.841 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.094 -8.217 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.778 -8.534 9.469 1.00 0.00 H new ATOM 925 N VAL A 63 3.112 -6.298 7.665 1.00 0.00 N ATOM 926 CA VAL A 63 3.194 -5.026 6.971 1.00 0.00 C ATOM 927 C VAL A 63 2.666 -3.933 7.902 1.00 0.00 C ATOM 928 O VAL A 63 1.483 -3.616 7.827 1.00 0.00 O ATOM 929 CB VAL A 63 2.412 -5.174 5.642 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.246 -3.872 4.861 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.094 -6.183 4.701 1.00 0.00 C ATOM 0 H VAL A 63 2.282 -6.832 7.406 1.00 0.00 H new ATOM 0 HA VAL A 63 4.213 -4.737 6.714 1.00 0.00 H new ATOM 0 HB VAL A 63 1.426 -5.518 5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.688 -4.066 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.704 -3.149 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.228 -3.471 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.521 -6.264 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.104 -5.842 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.141 -7.158 5.186 1.00 0.00 H new ATOM 941 N GLU A 64 3.504 -3.338 8.768 1.00 0.00 N ATOM 942 CA GLU A 64 3.046 -2.212 9.604 1.00 0.00 C ATOM 943 C GLU A 64 3.293 -0.853 8.921 1.00 0.00 C ATOM 944 O GLU A 64 3.405 0.181 9.587 1.00 0.00 O ATOM 945 CB GLU A 64 3.814 -2.212 10.944 1.00 0.00 C ATOM 946 CG GLU A 64 3.482 -3.382 11.875 1.00 0.00 C ATOM 947 CD GLU A 64 3.295 -2.973 13.350 1.00 0.00 C ATOM 948 OE1 GLU A 64 4.013 -2.068 13.861 1.00 0.00 O ATOM 949 OE2 GLU A 64 2.498 -3.630 14.059 1.00 0.00 O ATOM 0 H GLU A 64 4.478 -3.608 8.907 1.00 0.00 H new ATOM 0 HA GLU A 64 1.975 -2.343 9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.883 -2.226 10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.604 -1.279 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.570 -3.866 11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.280 -4.122 11.812 1.00 0.00 H new ATOM 956 N TYR A 65 3.158 -0.777 7.601 1.00 0.00 N ATOM 957 CA TYR A 65 3.270 0.449 6.832 1.00 0.00 C ATOM 958 C TYR A 65 2.689 0.209 5.452 1.00 0.00 C ATOM 959 O TYR A 65 2.604 -0.922 4.980 1.00 0.00 O ATOM 960 CB TYR A 65 4.731 0.828 6.606 1.00 0.00 C ATOM 961 CG TYR A 65 5.434 1.601 7.689 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.316 3.001 7.740 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.276 0.935 8.579 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.009 3.728 8.719 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.957 1.647 9.585 1.00 0.00 C ATOM 966 CZ TYR A 65 6.818 3.054 9.658 1.00 0.00 C ATOM 967 OH TYR A 65 7.460 3.795 10.602 1.00 0.00 O ATOM 0 H TYR A 65 2.962 -1.594 7.023 1.00 0.00 H new ATOM 0 HA TYR A 65 2.752 1.235 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.292 -0.091 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.786 1.413 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.692 3.517 7.025 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.407 -0.134 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.923 4.804 8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.580 1.124 10.295 1.00 0.00 H new ATOM 0 HH TYR A 65 7.981 3.203 11.184 1.00 0.00 H new ATOM 977 N LEU A 66 2.378 1.282 4.744 1.00 0.00 N ATOM 978 CA LEU A 66 1.891 1.227 3.378 1.00 0.00 C ATOM 979 C LEU A 66 2.116 2.596 2.747 1.00 0.00 C ATOM 980 O LEU A 66 2.123 3.581 3.468 1.00 0.00 O ATOM 981 CB LEU A 66 0.418 0.796 3.459 1.00 0.00 C ATOM 982 CG LEU A 66 -0.496 1.253 2.317 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.244 0.637 0.934 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.949 0.960 2.690 1.00 0.00 C ATOM 0 H LEU A 66 2.459 2.231 5.109 1.00 0.00 H new ATOM 0 HA LEU A 66 2.411 0.509 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.384 -0.292 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.005 1.170 4.396 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.270 2.314 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.958 1.045 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.770 0.873 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.364 -0.445 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.604 1.283 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.074 -0.110 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.206 1.498 3.602 1.00 0.00 H new ATOM 996 N ILE A 67 2.270 2.680 1.427 1.00 0.00 N ATOM 997 CA ILE A 67 2.497 3.916 0.681 1.00 0.00 C ATOM 998 C ILE A 67 1.428 4.003 -0.413 1.00 0.00 C ATOM 999 O ILE A 67 1.565 3.328 -1.425 1.00 0.00 O ATOM 1000 CB ILE A 67 3.944 3.896 0.126 1.00 0.00 C ATOM 1001 CG1 ILE A 67 4.966 3.931 1.294 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.194 5.148 -0.731 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.399 3.531 0.929 1.00 0.00 C ATOM 0 H ILE A 67 2.239 1.857 0.825 1.00 0.00 H new ATOM 0 HA ILE A 67 2.408 4.806 1.304 1.00 0.00 H new ATOM 0 HB ILE A 67 4.064 2.988 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.983 4.939 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.612 3.268 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.213 5.127 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.490 5.166 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.056 6.040 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.030 3.590 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.406 2.511 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.782 4.208 0.165 1.00 0.00 H new ATOM 1015 N ALA A 68 0.335 4.752 -0.228 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.801 4.778 -1.147 1.00 0.00 C ATOM 1017 C ALA A 68 -1.493 6.138 -1.139 1.00 0.00 C ATOM 1018 O ALA A 68 -1.846 6.657 -0.089 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.837 3.749 -0.706 1.00 0.00 C ATOM 0 H ALA A 68 0.216 5.366 0.578 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.417 4.563 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.684 3.769 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.388 2.756 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.180 3.986 0.301 1.00 0.00 H new ATOM 1025 N SER A 69 -1.790 6.691 -2.310 1.00 0.00 N ATOM 1026 CA SER A 69 -2.360 8.044 -2.370 1.00 0.00 C ATOM 1027 C SER A 69 -3.836 8.120 -1.949 1.00 0.00 C ATOM 1028 O SER A 69 -4.343 9.208 -1.656 1.00 0.00 O ATOM 1029 CB SER A 69 -2.132 8.651 -3.754 1.00 0.00 C ATOM 1030 OG SER A 69 -2.972 8.142 -4.754 1.00 0.00 O ATOM 0 H SER A 69 -1.652 6.241 -3.215 1.00 0.00 H new ATOM 0 HA SER A 69 -1.828 8.640 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.273 9.730 -3.692 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.096 8.481 -4.046 1.00 0.00 H new ATOM 0 HG SER A 69 -2.767 8.579 -5.607 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.544 6.986 -1.944 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.965 6.859 -1.618 1.00 0.00 C ATOM 1038 C ASN A 70 -6.301 5.368 -1.504 1.00 0.00 C ATOM 1039 O ASN A 70 -5.398 4.526 -1.546 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.846 7.520 -2.700 1.00 0.00 C ATOM 1041 CG ASN A 70 -8.075 8.161 -2.071 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -9.015 7.467 -1.683 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -8.074 9.477 -1.934 1.00 0.00 N ATOM 0 H ASN A 70 -4.119 6.089 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.166 7.367 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.269 8.274 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.153 6.774 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.868 9.945 -1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.280 10.024 -2.266 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.579 4.985 -1.414 1.00 0.00 N ATOM 1051 CA VAL A 71 -8.002 3.605 -1.267 1.00 0.00 C ATOM 1052 C VAL A 71 -9.206 3.362 -2.171 1.00 0.00 C ATOM 1053 O VAL A 71 -10.055 4.240 -2.316 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.186 3.338 0.238 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.363 4.028 0.937 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.174 1.858 0.604 1.00 0.00 C ATOM 0 H VAL A 71 -8.356 5.645 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.269 2.871 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.292 3.823 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.373 3.752 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.257 5.109 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.297 3.714 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.309 1.748 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.984 1.348 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.221 1.418 0.311 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.232 2.180 -2.803 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.311 1.703 -3.663 1.00 0.00 C ATOM 1068 C GLY A 72 -11.661 1.939 -3.005 1.00 0.00 C ATOM 1069 O GLY A 72 -12.548 2.575 -3.567 1.00 0.00 O ATOM 0 H GLY A 72 -8.469 1.508 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.273 2.218 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.180 0.640 -3.866 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.786 1.418 -1.785 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.979 1.329 -0.954 1.00 0.00 C ATOM 1075 C ARG A 73 -12.603 0.467 0.254 1.00 0.00 C ATOM 1076 O ARG A 73 -11.767 -0.425 0.099 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.159 0.743 -1.771 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.313 0.322 -0.867 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.643 0.125 -1.575 1.00 0.00 C ATOM 1080 NE ARG A 73 -17.609 -0.448 -0.634 1.00 0.00 N ATOM 1081 CZ ARG A 73 -18.799 -0.953 -0.960 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -19.291 -0.820 -2.188 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -19.485 -1.595 -0.031 1.00 0.00 N ATOM 0 H ARG A 73 -10.979 1.011 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.316 2.307 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.510 1.485 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.813 -0.117 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.043 -0.608 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.440 1.076 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.010 1.078 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.518 -0.535 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.349 -0.462 0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.756 -0.324 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.204 -1.214 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.101 -1.694 0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.398 -1.991 -0.254 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.276 0.670 1.392 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.139 -0.100 2.633 1.00 0.00 C ATOM 1099 C ASN A 74 -11.660 -0.202 3.024 1.00 0.00 C ATOM 1100 O ASN A 74 -10.930 0.772 2.812 1.00 0.00 O ATOM 1101 CB ASN A 74 -13.903 -1.442 2.540 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.725 -1.747 3.789 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.940 -1.893 3.690 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -14.147 -1.851 4.975 1.00 0.00 N ATOM 0 H ASN A 74 -13.967 1.415 1.476 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.619 0.421 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.564 -1.418 1.673 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.190 -2.249 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.711 -2.052 5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.138 -1.731 5.063 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.229 -1.330 3.605 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.872 -1.718 3.997 1.00 0.00 C ATOM 1113 C ALA A 75 -9.218 -0.870 5.093 1.00 0.00 C ATOM 1114 O ALA A 75 -8.384 -1.384 5.831 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.969 -1.748 2.763 1.00 0.00 C ATOM 0 H ALA A 75 -11.894 -2.068 3.835 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.984 -2.707 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.960 -2.037 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.358 -2.470 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.944 -0.759 2.306 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.549 0.412 5.177 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.909 1.433 5.985 1.00 0.00 C ATOM 1123 C PHE A 76 -8.917 1.067 7.462 1.00 0.00 C ATOM 1124 O PHE A 76 -7.917 1.242 8.153 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.651 2.741 5.712 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.313 3.883 6.646 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -8.071 4.519 6.526 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.237 4.341 7.597 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.771 5.665 7.282 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.943 5.487 8.355 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.729 6.171 8.180 1.00 0.00 C ATOM 0 H PHE A 76 -10.330 0.790 4.641 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.857 1.533 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.438 3.054 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.723 2.551 5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.334 4.123 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.169 3.816 7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.814 6.153 7.175 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.658 5.846 9.080 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.532 7.079 8.731 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.027 0.522 7.933 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.207 0.070 9.299 1.00 0.00 C ATOM 1143 C GLU A 77 -9.316 -1.145 9.573 1.00 0.00 C ATOM 1144 O GLU A 77 -8.640 -1.208 10.599 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.701 -0.211 9.473 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.482 1.123 9.452 1.00 0.00 C ATOM 1147 CD GLU A 77 -13.962 0.941 9.122 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.537 -0.135 9.390 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.554 1.837 8.465 1.00 0.00 O ATOM 0 H GLU A 77 -10.854 0.378 7.354 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.903 0.819 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.054 -0.864 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.877 -0.733 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.389 1.608 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.031 1.791 8.718 1.00 0.00 H new ATOM 1156 N THR A 78 -9.217 -2.075 8.620 1.00 0.00 N ATOM 1157 CA THR A 78 -8.348 -3.242 8.756 1.00 0.00 C ATOM 1158 C THR A 78 -6.861 -2.821 8.706 1.00 0.00 C ATOM 1159 O THR A 78 -6.009 -3.563 9.186 1.00 0.00 O ATOM 1160 CB THR A 78 -8.726 -4.298 7.691 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.141 -4.372 7.532 1.00 0.00 O ATOM 1162 CG2 THR A 78 -8.245 -5.717 8.025 1.00 0.00 C ATOM 0 H THR A 78 -9.733 -2.040 7.741 1.00 0.00 H new ATOM 0 HA THR A 78 -8.495 -3.707 9.731 1.00 0.00 H new ATOM 0 HB THR A 78 -8.228 -3.962 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.359 -5.044 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.548 -6.400 7.232 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.159 -5.722 8.113 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.686 -6.038 8.968 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.530 -1.632 8.171 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.161 -1.113 8.141 1.00 0.00 C ATOM 1172 C LEU A 79 -4.750 -0.691 9.542 1.00 0.00 C ATOM 1173 O LEU A 79 -3.810 -1.225 10.109 1.00 0.00 O ATOM 1174 CB LEU A 79 -4.994 0.055 7.138 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.092 -0.416 5.668 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -5.269 0.732 4.656 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.843 -1.223 5.296 1.00 0.00 C ATOM 0 H LEU A 79 -7.213 -1.005 7.746 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.505 -1.911 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.760 0.807 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.029 0.535 7.300 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.990 -1.031 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.330 0.322 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.185 1.278 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.418 1.409 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.918 -1.552 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.958 -0.599 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.764 -2.093 5.948 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.443 0.269 10.136 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.168 0.695 11.497 1.00 0.00 C ATOM 1191 C LYS A 80 -5.288 -0.446 12.500 1.00 0.00 C ATOM 1192 O LYS A 80 -4.459 -0.537 13.402 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.050 1.890 11.825 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.534 1.810 11.403 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.154 3.131 10.928 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.267 3.876 9.919 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.387 4.898 10.558 1.00 0.00 N ATOM 0 H LYS A 80 -6.209 0.772 9.689 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.127 1.010 11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.014 2.051 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.613 2.771 11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.628 1.076 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.115 1.438 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.124 2.929 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.334 3.773 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.648 3.154 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.900 4.363 9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.604 5.837 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.551 4.904 11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.391 4.666 10.368 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.229 -1.366 12.298 1.00 0.00 N ATOM 1212 CA ALA A 81 -6.327 -2.570 13.106 1.00 0.00 C ATOM 1213 C ALA A 81 -5.114 -3.508 12.968 1.00 0.00 C ATOM 1214 O ALA A 81 -5.042 -4.460 13.744 1.00 0.00 O ATOM 1215 CB ALA A 81 -7.626 -3.307 12.779 1.00 0.00 C ATOM 0 H ALA A 81 -6.941 -1.294 11.571 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.334 -2.251 14.148 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.695 -4.209 13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.476 -2.659 12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.634 -3.579 11.724 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.159 -3.278 12.058 1.00 0.00 N ATOM 1222 CA ALA A 82 -2.879 -3.988 12.018 1.00 0.00 C ATOM 1223 C ALA A 82 -1.704 -3.002 12.157 1.00 0.00 C ATOM 1224 O ALA A 82 -0.618 -3.228 11.619 1.00 0.00 O ATOM 1225 CB ALA A 82 -2.832 -4.736 10.676 1.00 0.00 C ATOM 0 H ALA A 82 -4.258 -2.582 11.319 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.790 -4.689 12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.893 -5.284 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.666 -5.436 10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.904 -4.020 9.858 1.00 0.00 H new ATOM 1231 N GLY A 83 -1.882 -1.962 12.977 1.00 0.00 N ATOM 1232 CA GLY A 83 -0.908 -0.914 13.260 1.00 0.00 C ATOM 1233 C GLY A 83 -0.219 -0.307 12.035 1.00 0.00 C ATOM 1234 O GLY A 83 0.949 0.087 12.131 1.00 0.00 O ATOM 0 H GLY A 83 -2.756 -1.825 13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.409 -0.115 13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.143 -1.322 13.921 1.00 0.00 H new ATOM 1238 N VAL A 84 -0.898 -0.246 10.888 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.285 0.101 9.612 1.00 0.00 C ATOM 1240 C VAL A 84 -0.201 1.616 9.480 1.00 0.00 C ATOM 1241 O VAL A 84 -1.231 2.298 9.422 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.037 -0.578 8.446 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.287 -0.461 7.110 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.222 -2.068 8.721 1.00 0.00 C ATOM 0 H VAL A 84 -1.898 -0.438 10.822 1.00 0.00 H new ATOM 0 HA VAL A 84 0.736 -0.279 9.571 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.994 -0.062 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.861 -0.955 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.158 0.591 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.690 -0.936 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.754 -2.528 7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.247 -2.541 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.798 -2.200 9.637 1.00 0.00 H new ATOM 1254 N LYS A 85 1.031 2.143 9.413 1.00 0.00 N ATOM 1255 CA LYS A 85 1.233 3.549 9.103 1.00 0.00 C ATOM 1256 C LYS A 85 1.105 3.732 7.591 1.00 0.00 C ATOM 1257 O LYS A 85 2.040 3.456 6.838 1.00 0.00 O ATOM 1258 CB LYS A 85 2.560 4.112 9.670 1.00 0.00 C ATOM 1259 CG LYS A 85 2.267 5.408 10.438 1.00 0.00 C ATOM 1260 CD LYS A 85 3.504 6.190 10.897 1.00 0.00 C ATOM 1261 CE LYS A 85 4.228 5.533 12.077 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.918 6.539 12.913 1.00 0.00 N ATOM 0 H LYS A 85 1.889 1.615 9.569 1.00 0.00 H new ATOM 0 HA LYS A 85 0.462 4.137 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.027 3.381 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.263 4.305 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.661 6.057 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.666 5.164 11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.197 6.285 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.204 7.199 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.511 4.982 12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.952 4.809 11.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.398 6.063 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.619 7.047 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.222 7.215 13.288 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.087 4.090 7.134 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.373 4.330 5.729 1.00 0.00 C ATOM 1278 C VAL A 86 0.139 5.742 5.427 1.00 0.00 C ATOM 1279 O VAL A 86 -0.144 6.694 6.152 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.882 4.157 5.475 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.220 4.272 3.973 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.363 2.810 6.052 1.00 0.00 C ATOM 0 H VAL A 86 -0.896 4.224 7.741 1.00 0.00 H new ATOM 0 HA VAL A 86 0.121 3.621 5.064 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.409 4.963 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.293 4.145 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.919 5.253 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.687 3.499 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.431 2.696 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.823 1.995 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.175 2.786 7.125 1.00 0.00 H new ATOM 1292 N TYR A 87 0.938 5.862 4.377 1.00 0.00 N ATOM 1293 CA TYR A 87 1.447 7.097 3.822 1.00 0.00 C ATOM 1294 C TYR A 87 0.675 7.422 2.556 1.00 0.00 C ATOM 1295 O TYR A 87 0.124 6.522 1.927 1.00 0.00 O ATOM 1296 CB TYR A 87 2.942 6.946 3.501 1.00 0.00 C ATOM 1297 CG TYR A 87 3.831 7.370 4.648 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.888 6.617 5.838 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.566 8.559 4.533 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.703 7.059 6.897 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.412 8.983 5.564 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.496 8.222 6.751 1.00 0.00 C ATOM 1303 OH TYR A 87 6.360 8.577 7.740 1.00 0.00 O ATOM 0 H TYR A 87 1.266 5.045 3.861 1.00 0.00 H new ATOM 0 HA TYR A 87 1.324 7.905 4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.152 5.907 3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.182 7.542 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.312 5.709 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.478 9.155 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.723 6.508 7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.996 9.885 5.453 1.00 0.00 H new ATOM 0 HH TYR A 87 6.830 9.398 7.485 1.00 0.00 H new ATOM 1313 N ARG A 88 0.726 8.684 2.142 1.00 0.00 N ATOM 1314 CA ARG A 88 0.347 9.152 0.813 1.00 0.00 C ATOM 1315 C ARG A 88 1.520 8.824 -0.111 1.00 0.00 C ATOM 1316 O ARG A 88 2.643 8.662 0.353 1.00 0.00 O ATOM 1317 CB ARG A 88 0.165 10.681 0.896 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.429 11.392 -0.332 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.944 11.580 -0.246 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.434 12.496 -1.285 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.688 12.936 -1.424 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -4.681 12.422 -0.705 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.950 13.890 -2.303 1.00 0.00 N ATOM 0 H ARG A 88 1.046 9.440 2.748 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.571 8.691 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.474 10.898 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.138 11.125 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.046 12.367 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.191 10.817 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.438 10.614 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.208 11.969 0.737 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.751 12.828 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.492 11.678 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.632 12.771 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.197 14.284 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.904 14.232 -2.416 1.00 0.00 H new ATOM 1337 N PHE A 89 1.290 8.796 -1.416 1.00 0.00 N ATOM 1338 CA PHE A 89 2.309 9.015 -2.435 1.00 0.00 C ATOM 1339 C PHE A 89 1.646 9.904 -3.506 1.00 0.00 C ATOM 1340 O PHE A 89 0.424 10.049 -3.470 1.00 0.00 O ATOM 1341 CB PHE A 89 2.870 7.657 -2.904 1.00 0.00 C ATOM 1342 CG PHE A 89 2.611 7.346 -4.362 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.282 7.089 -4.751 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.633 7.367 -5.334 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.939 6.941 -6.102 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.281 7.184 -6.674 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.945 7.007 -7.074 1.00 0.00 C ATOM 0 H PHE A 89 0.365 8.616 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 89 3.197 9.542 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.945 7.641 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.434 6.867 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.514 7.005 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.663 7.521 -5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.089 6.778 -6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.058 7.178 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.697 6.923 -8.122 1.00 0.00 H new ATOM 1357 N GLU A 90 2.381 10.535 -4.430 1.00 0.00 N ATOM 1358 CA GLU A 90 1.761 11.513 -5.337 1.00 0.00 C ATOM 1359 C GLU A 90 2.459 11.594 -6.714 1.00 0.00 C ATOM 1360 O GLU A 90 2.568 12.675 -7.302 1.00 0.00 O ATOM 1361 CB GLU A 90 1.685 12.869 -4.598 1.00 0.00 C ATOM 1362 CG GLU A 90 0.540 13.785 -5.059 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.811 13.529 -4.367 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -0.992 13.970 -3.201 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -1.755 13.032 -5.025 1.00 0.00 O ATOM 0 H GLU A 90 3.381 10.393 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 90 0.751 11.189 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.574 12.680 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.630 13.395 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.830 14.821 -4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.409 13.666 -6.135 1.00 0.00 H new ATOM 1372 N GLY A 91 2.881 10.452 -7.275 1.00 0.00 N ATOM 1373 CA GLY A 91 3.340 10.353 -8.665 1.00 0.00 C ATOM 1374 C GLY A 91 4.766 9.817 -8.765 1.00 0.00 C ATOM 1375 O GLY A 91 5.718 10.549 -8.518 1.00 0.00 O ATOM 0 H GLY A 91 2.913 9.565 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.668 9.700 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.290 11.336 -9.133 1.00 0.00 H new ATOM 1379 N GLY A 92 4.915 8.538 -9.124 1.00 0.00 N ATOM 1380 CA GLY A 92 6.175 7.807 -9.042 1.00 0.00 C ATOM 1381 C GLY A 92 5.994 6.332 -9.385 1.00 0.00 C ATOM 1382 O GLY A 92 4.868 5.822 -9.367 1.00 0.00 O ATOM 0 H GLY A 92 4.146 7.975 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.900 8.253 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.585 7.899 -8.036 1.00 0.00 H new ATOM 1386 N THR A 93 7.089 5.640 -9.682 1.00 0.00 N ATOM 1387 CA THR A 93 7.121 4.186 -9.734 1.00 0.00 C ATOM 1388 C THR A 93 7.347 3.617 -8.328 1.00 0.00 C ATOM 1389 O THR A 93 7.537 4.375 -7.376 1.00 0.00 O ATOM 1390 CB THR A 93 8.173 3.716 -10.751 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.468 4.198 -10.447 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.782 4.124 -12.177 1.00 0.00 C ATOM 0 H THR A 93 7.985 6.078 -9.895 1.00 0.00 H new ATOM 0 HA THR A 93 6.160 3.804 -10.079 1.00 0.00 H new ATOM 0 HB THR A 93 8.202 2.628 -10.688 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.104 3.873 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.544 3.779 -12.876 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.823 3.674 -12.434 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.701 5.209 -12.236 1.00 0.00 H new ATOM 1400 N VAL A 94 7.277 2.292 -8.157 1.00 0.00 N ATOM 1401 CA VAL A 94 7.418 1.638 -6.863 1.00 0.00 C ATOM 1402 C VAL A 94 8.647 2.152 -6.111 1.00 0.00 C ATOM 1403 O VAL A 94 8.519 2.404 -4.919 1.00 0.00 O ATOM 1404 CB VAL A 94 7.340 0.110 -7.032 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.701 -0.639 -5.751 1.00 0.00 C ATOM 1406 CG2 VAL A 94 5.933 -0.324 -7.461 1.00 0.00 C ATOM 0 H VAL A 94 7.119 1.641 -8.926 1.00 0.00 H new ATOM 0 HA VAL A 94 6.581 1.903 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 94 8.067 -0.143 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.630 -1.713 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.719 -0.386 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.012 -0.354 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.905 -1.408 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.211 -0.019 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.681 0.146 -8.412 1.00 0.00 H new ATOM 1416 N GLN A 95 9.788 2.386 -6.765 1.00 0.00 N ATOM 1417 CA GLN A 95 10.951 2.922 -6.064 1.00 0.00 C ATOM 1418 C GLN A 95 10.758 4.323 -5.466 1.00 0.00 C ATOM 1419 O GLN A 95 11.294 4.595 -4.399 1.00 0.00 O ATOM 1420 CB GLN A 95 12.203 2.867 -6.954 1.00 0.00 C ATOM 1421 CG GLN A 95 13.442 2.737 -6.059 1.00 0.00 C ATOM 1422 CD GLN A 95 14.742 2.582 -6.836 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.873 1.747 -7.733 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.748 3.346 -6.467 1.00 0.00 N ATOM 0 H GLN A 95 9.928 2.216 -7.761 1.00 0.00 H new ATOM 0 HA GLN A 95 11.090 2.267 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.142 2.021 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.272 3.767 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.513 3.618 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.316 1.876 -5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.621 4.032 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.654 3.252 -6.925 1.00 0.00 H new ATOM 1433 N GLU A 96 9.980 5.197 -6.094 1.00 0.00 N ATOM 1434 CA GLU A 96 9.751 6.575 -5.683 1.00 0.00 C ATOM 1435 C GLU A 96 8.892 6.605 -4.445 1.00 0.00 C ATOM 1436 O GLU A 96 9.131 7.442 -3.589 1.00 0.00 O ATOM 1437 CB GLU A 96 8.951 7.310 -6.756 1.00 0.00 C ATOM 1438 CG GLU A 96 9.728 7.686 -8.009 1.00 0.00 C ATOM 1439 CD GLU A 96 10.794 8.747 -7.739 1.00 0.00 C ATOM 1440 OE1 GLU A 96 11.864 8.413 -7.180 1.00 0.00 O ATOM 1441 OE2 GLU A 96 10.564 9.929 -8.076 1.00 0.00 O ATOM 0 H GLU A 96 9.469 4.952 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 96 10.723 7.037 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.107 6.685 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.539 8.219 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.203 6.795 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.035 8.055 -8.765 1.00 0.00 H new ATOM 1448 N ALA A 97 7.901 5.717 -4.320 1.00 0.00 N ATOM 1449 CA ALA A 97 7.211 5.539 -3.059 1.00 0.00 C ATOM 1450 C ALA A 97 8.220 5.422 -1.903 1.00 0.00 C ATOM 1451 O ALA A 97 8.027 6.043 -0.863 1.00 0.00 O ATOM 1452 CB ALA A 97 6.297 4.315 -3.179 1.00 0.00 C ATOM 0 H ALA A 97 7.568 5.119 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 97 6.593 6.407 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.767 4.163 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.576 4.477 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.897 3.433 -3.404 1.00 0.00 H new ATOM 1458 N ILE A 98 9.297 4.659 -2.084 1.00 0.00 N ATOM 1459 CA ILE A 98 10.260 4.295 -1.045 1.00 0.00 C ATOM 1460 C ILE A 98 11.215 5.436 -0.866 1.00 0.00 C ATOM 1461 O ILE A 98 11.364 5.904 0.247 1.00 0.00 O ATOM 1462 CB ILE A 98 11.088 3.043 -1.419 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.258 2.032 -2.182 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.761 2.410 -0.187 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.979 1.599 -1.474 1.00 0.00 C ATOM 0 H ILE A 98 9.532 4.262 -2.994 1.00 0.00 H new ATOM 0 HA ILE A 98 9.699 4.076 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 98 11.886 3.375 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.996 2.454 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.869 1.150 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.332 1.534 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.430 3.136 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.998 2.112 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.448 0.875 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.230 1.144 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.343 2.469 -1.307 1.00 0.00 H new ATOM 1477 N ASP A 99 11.862 5.852 -1.948 1.00 0.00 N ATOM 1478 CA ASP A 99 12.867 6.896 -1.994 1.00 0.00 C ATOM 1479 C ASP A 99 12.259 8.182 -1.440 1.00 0.00 C ATOM 1480 O ASP A 99 12.952 8.972 -0.795 1.00 0.00 O ATOM 1481 CB ASP A 99 13.369 7.054 -3.449 1.00 0.00 C ATOM 1482 CG ASP A 99 14.546 6.136 -3.830 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.255 5.618 -2.936 1.00 0.00 O ATOM 1484 OD2 ASP A 99 14.771 5.908 -5.044 1.00 0.00 O ATOM 0 H ASP A 99 11.686 5.444 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 99 13.731 6.643 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.539 6.858 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.670 8.090 -3.604 1.00 0.00 H new ATOM 1489 N ALA A 100 10.947 8.373 -1.624 1.00 0.00 N ATOM 1490 CA ALA A 100 10.257 9.541 -1.102 1.00 0.00 C ATOM 1491 C ALA A 100 9.931 9.336 0.378 1.00 0.00 C ATOM 1492 O ALA A 100 10.308 10.171 1.196 1.00 0.00 O ATOM 1493 CB ALA A 100 9.031 9.846 -1.960 1.00 0.00 C ATOM 0 H ALA A 100 10.346 7.726 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 100 10.901 10.419 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.518 10.722 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.344 10.042 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.354 8.992 -1.944 1.00 0.00 H new ATOM 1499 N PHE A 101 9.280 8.227 0.756 1.00 0.00 N ATOM 1500 CA PHE A 101 8.983 7.893 2.154 1.00 0.00 C ATOM 1501 C PHE A 101 10.240 7.965 3.016 1.00 0.00 C ATOM 1502 O PHE A 101 10.204 8.498 4.130 1.00 0.00 O ATOM 1503 CB PHE A 101 8.344 6.490 2.234 1.00 0.00 C ATOM 1504 CG PHE A 101 8.486 5.763 3.559 1.00 0.00 C ATOM 1505 CD1 PHE A 101 7.552 5.958 4.592 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.585 4.909 3.766 1.00 0.00 C ATOM 1507 CE1 PHE A 101 7.775 5.391 5.859 1.00 0.00 C ATOM 1508 CE2 PHE A 101 9.829 4.380 5.044 1.00 0.00 C ATOM 1509 CZ PHE A 101 8.935 4.636 6.099 1.00 0.00 C ATOM 0 H PHE A 101 8.942 7.530 0.092 1.00 0.00 H new ATOM 0 HA PHE A 101 8.275 8.626 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.282 6.584 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.783 5.869 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.663 6.544 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.240 4.661 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.053 5.536 6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.706 3.774 5.217 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.139 4.254 7.088 1.00 0.00 H new ATOM 1519 N SER A 102 11.329 7.398 2.507 1.00 0.00 N ATOM 1520 CA SER A 102 12.538 7.154 3.257 1.00 0.00 C ATOM 1521 C SER A 102 13.178 8.466 3.656 1.00 0.00 C ATOM 1522 O SER A 102 13.541 8.635 4.820 1.00 0.00 O ATOM 1523 CB SER A 102 13.484 6.239 2.469 1.00 0.00 C ATOM 1524 OG SER A 102 13.987 6.776 1.254 1.00 0.00 O ATOM 0 H SER A 102 11.388 7.091 1.536 1.00 0.00 H new ATOM 0 HA SER A 102 12.296 6.627 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.328 5.982 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.959 5.310 2.245 1.00 0.00 H new ATOM 0 HG SER A 102 13.371 7.461 0.920 1.00 0.00 H new ATOM 1530 N GLU A 103 13.258 9.419 2.724 1.00 0.00 N ATOM 1531 CA GLU A 103 13.866 10.710 3.017 1.00 0.00 C ATOM 1532 C GLU A 103 12.769 11.714 3.364 1.00 0.00 C ATOM 1533 O GLU A 103 12.892 12.919 3.116 1.00 0.00 O ATOM 1534 CB GLU A 103 14.723 11.120 1.809 1.00 0.00 C ATOM 1535 CG GLU A 103 15.668 10.004 1.322 1.00 0.00 C ATOM 1536 CD GLU A 103 17.043 10.558 0.966 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.843 10.796 1.907 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.353 10.714 -0.232 1.00 0.00 O ATOM 0 H GLU A 103 12.912 9.319 1.770 1.00 0.00 H new ATOM 0 HA GLU A 103 14.525 10.667 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.066 11.413 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.314 11.997 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.769 9.246 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.235 9.512 0.451 1.00 0.00 H new ATOM 1545 N GLY A 104 11.758 11.197 4.069 1.00 0.00 N ATOM 1546 CA GLY A 104 10.630 11.891 4.642 1.00 0.00 C ATOM 1547 C GLY A 104 10.047 12.944 3.718 1.00 0.00 C ATOM 1548 O GLY A 104 9.727 14.040 4.173 1.00 0.00 O ATOM 0 H GLY A 104 11.717 10.196 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.855 11.167 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.938 12.364 5.574 1.00 0.00 H new ATOM 1552 N ARG A 105 9.882 12.618 2.434 1.00 0.00 N ATOM 1553 CA ARG A 105 9.149 13.430 1.474 1.00 0.00 C ATOM 1554 C ARG A 105 7.804 12.795 1.157 1.00 0.00 C ATOM 1555 O ARG A 105 7.343 12.916 0.022 1.00 0.00 O ATOM 1556 CB ARG A 105 9.936 13.515 0.158 1.00 0.00 C ATOM 1557 CG ARG A 105 11.357 14.063 0.285 1.00 0.00 C ATOM 1558 CD ARG A 105 11.980 14.328 -1.085 1.00 0.00 C ATOM 1559 NE ARG A 105 11.467 15.558 -1.706 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.381 15.805 -3.017 1.00 0.00 C ATOM 1561 NH1 ARG A 105 11.594 14.857 -3.924 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.101 17.035 -3.426 1.00 0.00 N ATOM 0 H ARG A 105 10.264 11.763 2.029 1.00 0.00 H new ATOM 0 HA ARG A 105 9.007 14.419 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.986 12.519 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.382 14.144 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.341 14.987 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.974 13.353 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.063 14.401 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.780 13.482 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 105 11.146 16.293 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.830 13.910 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.521 15.076 -4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.954 17.778 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.032 17.238 -4.423 1.00 0.00 H new ATOM 1576 N LEU A 106 7.126 12.187 2.131 1.00 0.00 N ATOM 1577 CA LEU A 106 5.752 11.759 1.957 1.00 0.00 C ATOM 1578 C LEU A 106 4.956 12.070 3.228 1.00 0.00 C ATOM 1579 O LEU A 106 5.522 12.461 4.252 1.00 0.00 O ATOM 1580 CB LEU A 106 5.675 10.269 1.570 1.00 0.00 C ATOM 1581 CG LEU A 106 6.121 9.944 0.129 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.970 8.448 -0.156 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.276 10.676 -0.928 1.00 0.00 C ATOM 0 H LEU A 106 7.516 11.982 3.051 1.00 0.00 H new ATOM 0 HA LEU A 106 5.305 12.313 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.292 9.697 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.648 9.928 1.702 1.00 0.00 H new ATOM 0 HG LEU A 106 7.160 10.267 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.289 8.238 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.587 7.881 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.926 8.158 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.631 10.412 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.231 10.382 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.366 11.753 -0.784 1.00 0.00 H new ATOM 1595 N GLU A 107 3.640 11.876 3.183 1.00 0.00 N ATOM 1596 CA GLU A 107 2.689 12.329 4.200 1.00 0.00 C ATOM 1597 C GLU A 107 2.110 11.107 4.898 1.00 0.00 C ATOM 1598 O GLU A 107 1.884 10.097 4.236 1.00 0.00 O ATOM 1599 CB GLU A 107 1.509 13.054 3.532 1.00 0.00 C ATOM 1600 CG GLU A 107 1.892 14.166 2.554 1.00 0.00 C ATOM 1601 CD GLU A 107 2.156 15.486 3.270 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.065 15.579 4.118 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.428 16.469 2.982 1.00 0.00 O ATOM 0 H GLU A 107 3.189 11.383 2.412 1.00 0.00 H new ATOM 0 HA GLU A 107 3.205 12.993 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.906 12.318 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.878 13.480 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.782 13.870 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.092 14.301 1.826 1.00 0.00 H new ATOM 1610 N GLU A 108 1.791 11.197 6.185 1.00 0.00 N ATOM 1611 CA GLU A 108 1.074 10.163 6.917 1.00 0.00 C ATOM 1612 C GLU A 108 -0.421 10.311 6.626 1.00 0.00 C ATOM 1613 O GLU A 108 -1.116 11.182 7.158 1.00 0.00 O ATOM 1614 CB GLU A 108 1.439 10.251 8.407 1.00 0.00 C ATOM 1615 CG GLU A 108 1.461 8.887 9.105 1.00 0.00 C ATOM 1616 CD GLU A 108 1.334 9.019 10.629 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.888 9.954 11.247 1.00 0.00 O ATOM 1618 OE2 GLU A 108 0.684 8.158 11.253 1.00 0.00 O ATOM 0 H GLU A 108 2.029 12.007 6.758 1.00 0.00 H new ATOM 0 HA GLU A 108 1.360 9.161 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.418 10.719 8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.723 10.899 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.645 8.272 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.389 8.370 8.862 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.909 9.487 5.703 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.293 9.448 5.282 1.00 0.00 C ATOM 1627 C LEU A 109 -3.025 8.490 6.217 1.00 0.00 C ATOM 1628 O LEU A 109 -3.133 7.312 5.897 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.380 8.989 3.822 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.796 9.140 3.245 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -4.124 10.530 2.706 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.991 8.151 2.099 1.00 0.00 C ATOM 0 H LEU A 109 -0.326 8.807 5.215 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.753 10.435 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.681 9.569 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.071 7.946 3.753 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.464 8.950 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.143 10.539 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.033 11.262 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.430 10.782 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.996 8.260 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.259 8.351 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.858 7.134 2.469 1.00 0.00 H new ATOM 1644 N THR A 110 -3.547 8.925 7.366 1.00 0.00 N ATOM 1645 CA THR A 110 -4.167 7.975 8.305 1.00 0.00 C ATOM 1646 C THR A 110 -5.616 8.362 8.584 1.00 0.00 C ATOM 1647 O THR A 110 -6.206 8.012 9.613 1.00 0.00 O ATOM 1648 CB THR A 110 -3.288 7.963 9.567 1.00 0.00 C ATOM 1649 OG1 THR A 110 -3.099 9.289 10.034 1.00 0.00 O ATOM 1650 CG2 THR A 110 -1.930 7.355 9.212 1.00 0.00 C ATOM 0 H THR A 110 -3.556 9.899 7.667 1.00 0.00 H new ATOM 0 HA THR A 110 -4.215 6.968 7.891 1.00 0.00 H new ATOM 0 HB THR A 110 -3.773 7.375 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.540 9.276 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.295 7.340 10.098 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.071 6.337 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.455 7.954 8.435 1.00 0.00 H new ATOM 1658 N THR A 111 -6.267 8.873 7.543 1.00 0.00 N ATOM 1659 CA THR A 111 -7.518 9.616 7.662 1.00 0.00 C ATOM 1660 C THR A 111 -8.241 9.613 6.305 1.00 0.00 C ATOM 1661 O THR A 111 -8.882 10.588 5.922 1.00 0.00 O ATOM 1662 CB THR A 111 -7.176 11.052 8.154 1.00 0.00 C ATOM 1663 OG1 THR A 111 -5.930 11.497 7.629 1.00 0.00 O ATOM 1664 CG2 THR A 111 -7.092 11.146 9.683 1.00 0.00 C ATOM 0 H THR A 111 -5.937 8.782 6.582 1.00 0.00 H new ATOM 0 HA THR A 111 -8.194 9.157 8.384 1.00 0.00 H new ATOM 0 HB THR A 111 -7.991 11.682 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.743 12.402 7.954 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.851 12.169 9.972 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.050 10.862 10.118 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.315 10.474 10.047 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.195 8.495 5.576 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.588 8.412 4.175 1.00 0.00 C ATOM 1674 C PHE A 112 -9.628 7.321 4.037 1.00 0.00 C ATOM 1675 O PHE A 112 -9.435 6.198 4.491 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.371 8.135 3.287 1.00 0.00 C ATOM 1677 CG PHE A 112 -6.665 6.820 3.574 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -5.839 6.700 4.703 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -6.884 5.693 2.760 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -5.248 5.473 5.029 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -6.286 4.462 3.090 1.00 0.00 C ATOM 1682 CZ PHE A 112 -5.472 4.359 4.219 1.00 0.00 C ATOM 0 H PHE A 112 -7.875 7.604 5.956 1.00 0.00 H new ATOM 0 HA PHE A 112 -9.012 9.362 3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.689 8.141 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.657 8.950 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.658 7.563 5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.510 5.772 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.621 5.389 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.457 3.596 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.014 3.413 4.467 1.00 0.00 H new ATOM 1692 N THR A 113 -10.740 7.660 3.414 1.00 0.00 N ATOM 1693 CA THR A 113 -11.938 6.832 3.467 1.00 0.00 C ATOM 1694 C THR A 113 -12.625 6.850 2.108 1.00 0.00 C ATOM 1695 O THR A 113 -12.584 7.861 1.396 1.00 0.00 O ATOM 1696 CB THR A 113 -12.849 7.323 4.614 1.00 0.00 C ATOM 1697 OG1 THR A 113 -12.730 8.724 4.825 1.00 0.00 O ATOM 1698 CG2 THR A 113 -12.458 6.644 5.932 1.00 0.00 C ATOM 0 H THR A 113 -10.843 8.510 2.860 1.00 0.00 H new ATOM 0 HA THR A 113 -11.685 5.794 3.682 1.00 0.00 H new ATOM 0 HB THR A 113 -13.870 7.076 4.322 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.322 8.996 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.108 6.999 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.565 5.564 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.423 6.885 6.172 1.00 0.00 H new ATOM 1706 N ARG A 114 -13.206 5.723 1.694 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.913 5.628 0.428 1.00 0.00 C ATOM 1708 C ARG A 114 -14.957 4.533 0.492 1.00 0.00 C ATOM 1709 O ARG A 114 -14.719 3.449 1.033 1.00 0.00 O ATOM 1710 CB ARG A 114 -12.878 5.349 -0.680 1.00 0.00 C ATOM 1711 CG ARG A 114 -13.397 5.609 -2.096 1.00 0.00 C ATOM 1712 CD ARG A 114 -13.643 7.111 -2.301 1.00 0.00 C ATOM 1713 NE ARG A 114 -13.525 7.502 -3.712 1.00 0.00 N ATOM 1714 CZ ARG A 114 -12.402 7.570 -4.438 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -11.220 7.221 -3.929 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -12.473 7.987 -5.695 1.00 0.00 N ATOM 0 H ARG A 114 -13.197 4.855 2.230 1.00 0.00 H new ATOM 0 HA ARG A 114 -14.434 6.561 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.999 5.970 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -12.554 4.311 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -12.675 5.248 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -14.322 5.056 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -14.637 7.368 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.928 7.680 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 114 -14.392 7.748 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.157 6.893 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.379 7.282 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.374 8.250 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.627 8.045 -6.262 1.00 0.00 H new ATOM 1730 N GLU A 115 -16.102 4.811 -0.115 1.00 0.00 N ATOM 1731 CA GLU A 115 -17.174 3.859 -0.278 1.00 0.00 C ATOM 1732 C GLU A 115 -17.918 4.159 -1.581 1.00 0.00 C ATOM 1733 O GLU A 115 -19.007 4.743 -1.576 1.00 0.00 O ATOM 1734 CB GLU A 115 -18.056 3.902 0.969 1.00 0.00 C ATOM 1735 CG GLU A 115 -19.145 2.821 0.869 1.00 0.00 C ATOM 1736 CD GLU A 115 -19.974 2.648 2.136 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -19.415 2.379 3.220 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -21.220 2.708 2.022 1.00 0.00 O ATOM 0 H GLU A 115 -16.309 5.727 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.804 2.838 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.450 3.741 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.514 4.886 1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.812 3.069 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.674 1.869 0.624 1.00 0.00 H new ATOM 1745 N GLY A 116 -17.329 3.737 -2.696 1.00 0.00 N ATOM 1746 CA GLY A 116 -18.021 3.511 -3.947 1.00 0.00 C ATOM 1747 C GLY A 116 -17.884 2.025 -4.170 1.00 0.00 C ATOM 1748 O GLY A 116 -18.888 1.301 -4.014 1.00 0.00 O ATOM 0 H GLY A 116 -16.330 3.539 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.067 3.812 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.573 4.081 -4.761 1.00 0.00 H new TER 1752 GLY A 116