USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 155:sc= -0.177 (180deg=-0.982) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.0379 K(o=-0.22,f=-1.4) USER MOD Set 2.1: A 60 TYR OH : rot 165:sc= 0.124 USER MOD Set 2.2: A 70 SER OG : rot 149:sc= 0.131 USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.037 (180deg=-0.531) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= -0.35 (180deg=-0.56) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0107 (180deg=-0.175) USER MOD Single : A 28 MET CE :methyl 157:sc= -0.0754 (180deg=-0.729) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0164 (180deg=-0.286) USER MOD Single : A 33 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.83) USER MOD Single : A 39 MET CE :methyl 157:sc= -0.202 (180deg=-1.34) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1! USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.0749 (180deg=-0.611) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 72:sc= 0.102 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc=-0.00794 (180deg=-0.268) USER MOD Single : A 64 GLN : amide:sc= -4.53! C(o=-4.5!,f=-7.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -23:sc= 0.899 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 70.452 1.023 -11.119 1.00 0.00 N ATOM 2 CA MET A 1 69.523 0.464 -10.097 1.00 0.00 C ATOM 3 C MET A 1 69.754 -1.037 -9.981 1.00 0.00 C ATOM 4 O MET A 1 69.251 -1.814 -10.793 1.00 0.00 O ATOM 5 CB MET A 1 68.081 0.739 -10.529 1.00 0.00 C ATOM 6 CG MET A 1 67.812 2.245 -10.471 1.00 0.00 C ATOM 7 SD MET A 1 66.137 2.586 -11.073 1.00 0.00 S ATOM 8 CE MET A 1 65.229 1.811 -9.709 1.00 0.00 C ATOM 0 H1 MET A 1 70.995 1.806 -10.703 1.00 0.00 H new ATOM 0 H2 MET A 1 71.106 0.280 -11.438 1.00 0.00 H new ATOM 0 H3 MET A 1 69.905 1.374 -11.931 1.00 0.00 H new ATOM 0 HA MET A 1 69.704 0.931 -9.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 67.915 0.367 -11.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 67.387 0.209 -9.877 1.00 0.00 H new ATOM 0 HG2 MET A 1 67.922 2.605 -9.448 1.00 0.00 H new ATOM 0 HG3 MET A 1 68.543 2.779 -11.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.241 2.263 -9.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 65.125 0.743 -9.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 65.775 1.960 -8.777 1.00 0.00 H new ATOM 20 N TYR A 2 70.523 -1.447 -8.974 1.00 0.00 N ATOM 21 CA TYR A 2 70.810 -2.866 -8.781 1.00 0.00 C ATOM 22 C TYR A 2 69.663 -3.527 -8.027 1.00 0.00 C ATOM 23 O TYR A 2 69.216 -3.028 -6.993 1.00 0.00 O ATOM 24 CB TYR A 2 72.120 -3.037 -8.000 1.00 0.00 C ATOM 25 CG TYR A 2 72.691 -4.431 -8.225 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.255 -5.514 -7.442 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.665 -4.639 -9.218 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.794 -6.791 -7.648 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.200 -5.918 -9.419 1.00 0.00 C ATOM 30 CZ TYR A 2 73.766 -6.992 -8.636 1.00 0.00 C ATOM 31 OH TYR A 2 74.298 -8.250 -8.833 1.00 0.00 O ATOM 0 H TYR A 2 70.953 -0.826 -8.288 1.00 0.00 H new ATOM 0 HA TYR A 2 70.917 -3.343 -9.755 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.842 -2.285 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.941 -2.877 -6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.504 -5.362 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.001 -3.812 -9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.459 -7.621 -7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 2 74.950 -6.075 -10.181 1.00 0.00 H new ATOM 0 HH TYR A 2 74.958 -8.216 -9.557 1.00 0.00 H new ATOM 41 N GLU A 3 69.180 -4.644 -8.556 1.00 0.00 N ATOM 42 CA GLU A 3 68.068 -5.366 -7.938 1.00 0.00 C ATOM 43 C GLU A 3 68.579 -6.461 -7.009 1.00 0.00 C ATOM 44 O GLU A 3 69.526 -7.173 -7.339 1.00 0.00 O ATOM 45 CB GLU A 3 67.196 -5.989 -9.036 1.00 0.00 C ATOM 46 CG GLU A 3 66.680 -4.883 -9.972 1.00 0.00 C ATOM 47 CD GLU A 3 67.738 -4.542 -11.020 1.00 0.00 C ATOM 48 OE1 GLU A 3 68.829 -5.084 -10.931 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.450 -3.731 -11.884 1.00 0.00 O ATOM 0 H GLU A 3 69.538 -5.072 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 3 67.480 -4.662 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.773 -6.719 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.357 -6.523 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 3 65.764 -5.210 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.431 -3.994 -9.393 1.00 0.00 H new ATOM 56 N PHE A 4 67.932 -6.603 -5.848 1.00 0.00 N ATOM 57 CA PHE A 4 68.319 -7.637 -4.878 1.00 0.00 C ATOM 58 C PHE A 4 67.327 -8.793 -4.954 1.00 0.00 C ATOM 59 O PHE A 4 66.220 -8.714 -4.423 1.00 0.00 O ATOM 60 CB PHE A 4 68.373 -7.041 -3.445 1.00 0.00 C ATOM 61 CG PHE A 4 68.132 -8.105 -2.368 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.904 -9.283 -2.337 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.126 -7.913 -1.396 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.666 -10.249 -1.352 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.899 -8.882 -0.418 1.00 0.00 C ATOM 66 CZ PHE A 4 67.667 -10.050 -0.396 1.00 0.00 C ATOM 0 H PHE A 4 67.145 -6.022 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 4 69.314 -8.010 -5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.345 -6.576 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.624 -6.255 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.679 -9.441 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.530 -7.013 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.258 -11.152 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.129 -8.729 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.488 -10.799 0.361 1.00 0.00 H new ATOM 76 N LYS A 5 67.736 -9.870 -5.624 1.00 0.00 N ATOM 77 CA LYS A 5 66.882 -11.052 -5.774 1.00 0.00 C ATOM 78 C LYS A 5 67.413 -12.193 -4.920 1.00 0.00 C ATOM 79 O LYS A 5 68.415 -12.814 -5.273 1.00 0.00 O ATOM 80 CB LYS A 5 66.854 -11.498 -7.238 1.00 0.00 C ATOM 81 CG LYS A 5 66.230 -10.401 -8.102 1.00 0.00 C ATOM 82 CD LYS A 5 66.260 -10.836 -9.570 1.00 0.00 C ATOM 83 CE LYS A 5 65.728 -9.704 -10.451 1.00 0.00 C ATOM 84 NZ LYS A 5 64.304 -9.431 -10.107 1.00 0.00 N ATOM 0 H LYS A 5 68.649 -9.950 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 5 65.874 -10.792 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.866 -11.713 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.282 -12.420 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.203 -10.214 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.778 -9.467 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.278 -11.091 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.655 -11.732 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.327 -8.805 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.813 -9.977 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.909 -8.747 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.760 -10.316 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.248 -9.039 -9.145 1.00 0.00 H new ATOM 98 N LEU A 6 66.729 -12.457 -3.803 1.00 0.00 N ATOM 99 CA LEU A 6 67.126 -13.539 -2.869 1.00 0.00 C ATOM 100 C LEU A 6 67.842 -14.676 -3.626 1.00 0.00 C ATOM 101 O LEU A 6 67.186 -15.569 -4.161 1.00 0.00 O ATOM 102 CB LEU A 6 65.877 -14.118 -2.136 1.00 0.00 C ATOM 103 CG LEU A 6 65.720 -13.512 -0.724 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.338 -13.887 -0.179 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.801 -14.070 0.229 1.00 0.00 C ATOM 0 H LEU A 6 65.897 -11.942 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 6 67.808 -13.111 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.982 -13.913 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.968 -15.202 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 6 65.829 -12.429 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.213 -13.465 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.567 -13.491 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.249 -14.972 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.675 -13.632 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.702 -15.153 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.790 -13.819 -0.155 1.00 0.00 H new ATOM 117 N PRO A 7 69.160 -14.667 -3.701 1.00 0.00 N ATOM 118 CA PRO A 7 69.908 -15.726 -4.433 1.00 0.00 C ATOM 119 C PRO A 7 70.014 -17.019 -3.625 1.00 0.00 C ATOM 120 O PRO A 7 69.943 -17.001 -2.395 1.00 0.00 O ATOM 121 CB PRO A 7 71.278 -15.085 -4.675 1.00 0.00 C ATOM 122 CG PRO A 7 71.481 -14.173 -3.508 1.00 0.00 C ATOM 123 CD PRO A 7 70.084 -13.679 -3.094 1.00 0.00 C ATOM 0 HA PRO A 7 69.414 -16.030 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 7 72.064 -15.839 -4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.297 -14.535 -5.616 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.967 -14.697 -2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 7 72.125 -13.336 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.977 -13.646 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.891 -12.672 -3.464 1.00 0.00 H new ATOM 221 N GLU A 15 60.855 -20.780 -1.057 1.00 0.00 N ATOM 222 CA GLU A 15 59.919 -19.655 -1.127 1.00 0.00 C ATOM 223 C GLU A 15 60.439 -18.515 -0.264 1.00 0.00 C ATOM 224 O GLU A 15 61.148 -18.746 0.716 1.00 0.00 O ATOM 225 CB GLU A 15 58.517 -20.062 -0.653 1.00 0.00 C ATOM 226 CG GLU A 15 57.891 -21.043 -1.648 1.00 0.00 C ATOM 227 CD GLU A 15 56.525 -21.497 -1.143 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.152 -21.094 -0.054 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.867 -22.232 -1.862 1.00 0.00 O ATOM 0 HA GLU A 15 59.843 -19.336 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 15 58.577 -20.521 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.886 -19.178 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.788 -20.568 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 15 58.544 -21.906 -1.781 1.00 0.00 H new ATOM 236 N GLY A 16 60.095 -17.279 -0.625 1.00 0.00 N ATOM 237 CA GLY A 16 60.555 -16.118 0.134 1.00 0.00 C ATOM 238 C GLY A 16 59.445 -15.551 1.013 1.00 0.00 C ATOM 239 O GLY A 16 58.500 -14.950 0.507 1.00 0.00 O ATOM 0 H GLY A 16 59.507 -17.058 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 16 61.404 -16.401 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.906 -15.348 -0.553 1.00 0.00 H new ATOM 243 N GLU A 17 59.582 -15.715 2.333 1.00 0.00 N ATOM 244 CA GLU A 17 58.601 -15.190 3.280 1.00 0.00 C ATOM 245 C GLU A 17 59.300 -14.241 4.242 1.00 0.00 C ATOM 246 O GLU A 17 60.314 -14.590 4.847 1.00 0.00 O ATOM 247 CB GLU A 17 57.955 -16.337 4.063 1.00 0.00 C ATOM 248 CG GLU A 17 56.698 -15.838 4.787 1.00 0.00 C ATOM 249 CD GLU A 17 57.078 -14.910 5.934 1.00 0.00 C ATOM 250 OE1 GLU A 17 58.160 -15.079 6.474 1.00 0.00 O ATOM 251 OE2 GLU A 17 56.284 -14.043 6.258 1.00 0.00 O ATOM 0 H GLU A 17 60.363 -16.207 2.767 1.00 0.00 H new ATOM 0 HA GLU A 17 57.821 -14.657 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.695 -17.150 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.665 -16.740 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.051 -15.312 4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.130 -16.686 5.170 1.00 0.00 H new ATOM 258 N ILE A 18 58.767 -13.032 4.368 1.00 0.00 N ATOM 259 CA ILE A 18 59.361 -12.020 5.243 1.00 0.00 C ATOM 260 C ILE A 18 58.614 -11.915 6.564 1.00 0.00 C ATOM 261 O ILE A 18 57.434 -11.568 6.600 1.00 0.00 O ATOM 262 CB ILE A 18 59.326 -10.670 4.519 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.249 -10.718 3.280 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.771 -9.548 5.460 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.722 -10.480 3.674 1.00 0.00 C ATOM 0 H ILE A 18 57.926 -12.726 3.878 1.00 0.00 H new ATOM 0 HA ILE A 18 60.388 -12.309 5.468 1.00 0.00 H new ATOM 0 HB ILE A 18 58.304 -10.469 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.153 -11.686 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.935 -9.962 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.741 -8.596 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.102 -9.507 6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.788 -9.741 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.348 -10.519 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.820 -9.501 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.040 -11.251 4.375 1.00 0.00 H new ATOM 277 N VAL A 19 59.327 -12.210 7.651 1.00 0.00 N ATOM 278 CA VAL A 19 58.754 -12.141 8.986 1.00 0.00 C ATOM 279 C VAL A 19 58.988 -10.757 9.602 1.00 0.00 C ATOM 280 O VAL A 19 58.100 -10.204 10.249 1.00 0.00 O ATOM 281 CB VAL A 19 59.389 -13.227 9.866 1.00 0.00 C ATOM 282 CG1 VAL A 19 60.866 -12.901 10.096 1.00 0.00 C ATOM 283 CG2 VAL A 19 58.652 -13.313 11.211 1.00 0.00 C ATOM 0 H VAL A 19 60.305 -12.499 7.628 1.00 0.00 H new ATOM 0 HA VAL A 19 57.679 -12.307 8.922 1.00 0.00 H new ATOM 0 HB VAL A 19 59.309 -14.190 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.316 -13.673 10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.384 -12.863 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 19 60.952 -11.935 10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.110 -14.086 11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 58.717 -12.353 11.724 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.605 -13.561 11.037 1.00 0.00 H new ATOM 293 N ARG A 20 60.198 -10.204 9.417 1.00 0.00 N ATOM 294 CA ARG A 20 60.524 -8.885 9.984 1.00 0.00 C ATOM 295 C ARG A 20 61.419 -8.050 9.062 1.00 0.00 C ATOM 296 O ARG A 20 62.360 -8.559 8.455 1.00 0.00 O ATOM 297 CB ARG A 20 61.234 -9.064 11.331 1.00 0.00 C ATOM 298 CG ARG A 20 60.243 -9.574 12.378 1.00 0.00 C ATOM 299 CD ARG A 20 60.980 -9.802 13.700 1.00 0.00 C ATOM 300 NE ARG A 20 60.048 -10.266 14.721 1.00 0.00 N ATOM 301 CZ ARG A 20 59.316 -9.409 15.428 1.00 0.00 C ATOM 302 NH1 ARG A 20 59.431 -8.125 15.220 1.00 0.00 N ATOM 303 NH2 ARG A 20 58.487 -9.853 16.333 1.00 0.00 N ATOM 0 H ARG A 20 60.954 -10.640 8.889 1.00 0.00 H new ATOM 0 HA ARG A 20 59.582 -8.351 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.060 -9.768 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 61.663 -8.116 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.438 -8.852 12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 20 59.783 -10.503 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.774 -10.536 13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.455 -8.876 14.024 1.00 0.00 H new ATOM 0 HE ARG A 20 59.956 -11.267 14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 20 60.082 -7.779 14.515 1.00 0.00 H new ATOM 0 HH12 ARG A 20 58.870 -7.468 15.762 1.00 0.00 H new ATOM 0 HH21 ARG A 20 58.401 -10.856 16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 20 57.925 -9.197 16.876 1.00 0.00 H new ATOM 317 N TRP A 21 61.145 -6.741 9.027 1.00 0.00 N ATOM 318 CA TRP A 21 61.946 -5.780 8.250 1.00 0.00 C ATOM 319 C TRP A 21 62.671 -4.884 9.260 1.00 0.00 C ATOM 320 O TRP A 21 62.112 -4.589 10.318 1.00 0.00 O ATOM 321 CB TRP A 21 61.051 -4.878 7.357 1.00 0.00 C ATOM 322 CG TRP A 21 60.715 -5.517 6.037 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.458 -5.837 5.649 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.589 -5.861 4.909 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.504 -6.380 4.378 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.790 -6.419 3.881 1.00 0.00 C ATOM 327 CE3 TRP A 21 62.977 -5.764 4.679 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.339 -6.856 2.672 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.534 -6.202 3.457 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.715 -6.746 2.460 1.00 0.00 C ATOM 0 H TRP A 21 60.367 -6.317 9.532 1.00 0.00 H new ATOM 0 HA TRP A 21 62.632 -6.324 7.601 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.128 -4.648 7.890 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.561 -3.931 7.178 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.564 -5.692 6.237 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.685 -6.712 3.869 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.619 -5.352 5.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.703 -7.276 1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.598 -6.117 3.291 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.147 -7.080 1.528 1.00 0.00 H new ATOM 341 N ASP A 22 63.899 -4.448 8.958 1.00 0.00 N ATOM 342 CA ASP A 22 64.642 -3.580 9.889 1.00 0.00 C ATOM 343 C ASP A 22 65.163 -2.330 9.184 1.00 0.00 C ATOM 344 O ASP A 22 66.080 -1.669 9.671 1.00 0.00 O ATOM 345 CB ASP A 22 65.800 -4.346 10.530 1.00 0.00 C ATOM 346 CG ASP A 22 65.248 -5.351 11.541 1.00 0.00 C ATOM 347 OD1 ASP A 22 64.052 -5.329 11.775 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.026 -6.129 12.065 1.00 0.00 O ATOM 0 H ASP A 22 64.395 -4.674 8.096 1.00 0.00 H new ATOM 0 HA ASP A 22 63.952 -3.265 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.376 -4.864 9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.480 -3.652 11.025 1.00 0.00 H new ATOM 353 N VAL A 23 64.549 -1.991 8.050 1.00 0.00 N ATOM 354 CA VAL A 23 64.931 -0.791 7.300 1.00 0.00 C ATOM 355 C VAL A 23 63.675 -0.051 6.843 1.00 0.00 C ATOM 356 O VAL A 23 62.613 -0.656 6.693 1.00 0.00 O ATOM 357 CB VAL A 23 65.804 -1.170 6.090 1.00 0.00 C ATOM 358 CG1 VAL A 23 66.843 -2.208 6.522 1.00 0.00 C ATOM 359 CG2 VAL A 23 64.931 -1.758 4.966 1.00 0.00 C ATOM 0 H VAL A 23 63.789 -2.526 7.631 1.00 0.00 H new ATOM 0 HA VAL A 23 65.513 -0.135 7.948 1.00 0.00 H new ATOM 0 HB VAL A 23 66.304 -0.276 5.718 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.463 -2.479 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.471 -1.789 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.335 -3.096 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.561 -2.022 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.421 -2.650 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.192 -1.019 4.655 1.00 0.00 H new ATOM 369 N LYS A 24 63.797 1.258 6.627 1.00 0.00 N ATOM 370 CA LYS A 24 62.657 2.068 6.191 1.00 0.00 C ATOM 371 C LYS A 24 63.070 3.004 5.060 1.00 0.00 C ATOM 372 O LYS A 24 64.132 3.619 5.106 1.00 0.00 O ATOM 373 CB LYS A 24 62.135 2.891 7.371 1.00 0.00 C ATOM 374 CG LYS A 24 61.555 1.954 8.431 1.00 0.00 C ATOM 375 CD LYS A 24 61.117 2.773 9.647 1.00 0.00 C ATOM 376 CE LYS A 24 60.614 1.839 10.750 1.00 0.00 C ATOM 377 NZ LYS A 24 59.343 1.191 10.321 1.00 0.00 N ATOM 0 H LYS A 24 64.666 1.779 6.745 1.00 0.00 H new ATOM 0 HA LYS A 24 61.872 1.404 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.942 3.485 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.371 3.590 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.706 1.406 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.300 1.215 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.952 3.368 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.330 3.471 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 24 61.365 1.079 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.454 2.401 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.891 0.736 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 58.703 1.910 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.546 0.474 9.596 1.00 0.00 H new ATOM 391 N GLU A 25 62.218 3.109 4.048 1.00 0.00 N ATOM 392 CA GLU A 25 62.502 3.974 2.907 1.00 0.00 C ATOM 393 C GLU A 25 63.042 5.327 3.368 1.00 0.00 C ATOM 394 O GLU A 25 62.514 5.931 4.303 1.00 0.00 O ATOM 395 CB GLU A 25 61.226 4.177 2.077 1.00 0.00 C ATOM 396 CG GLU A 25 60.097 4.740 2.960 1.00 0.00 C ATOM 397 CD GLU A 25 60.205 6.262 3.074 1.00 0.00 C ATOM 398 OE1 GLU A 25 61.102 6.827 2.468 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.392 6.840 3.776 1.00 0.00 O ATOM 0 H GLU A 25 61.330 2.610 3.992 1.00 0.00 H new ATOM 0 HA GLU A 25 63.263 3.493 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.426 4.860 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.915 3.229 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.129 4.470 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.147 4.292 3.952 1.00 0.00 H new ATOM 406 N GLY A 26 64.091 5.803 2.697 1.00 0.00 N ATOM 407 CA GLY A 26 64.690 7.095 3.036 1.00 0.00 C ATOM 408 C GLY A 26 65.798 6.950 4.082 1.00 0.00 C ATOM 409 O GLY A 26 66.340 7.949 4.557 1.00 0.00 O ATOM 0 H GLY A 26 64.541 5.318 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 26 65.098 7.554 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.918 7.766 3.414 1.00 0.00 H new ATOM 413 N ASP A 27 66.137 5.708 4.431 1.00 0.00 N ATOM 414 CA ASP A 27 67.194 5.448 5.419 1.00 0.00 C ATOM 415 C ASP A 27 68.467 4.981 4.719 1.00 0.00 C ATOM 416 O ASP A 27 68.409 4.378 3.649 1.00 0.00 O ATOM 417 CB ASP A 27 66.744 4.375 6.413 1.00 0.00 C ATOM 418 CG ASP A 27 66.590 3.033 5.705 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.608 3.021 4.486 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.451 2.036 6.395 1.00 0.00 O ATOM 0 H ASP A 27 65.700 4.869 4.049 1.00 0.00 H new ATOM 0 HA ASP A 27 67.394 6.375 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.472 4.288 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.797 4.665 6.869 1.00 0.00 H new ATOM 425 N MET A 28 69.618 5.271 5.324 1.00 0.00 N ATOM 426 CA MET A 28 70.903 4.878 4.744 1.00 0.00 C ATOM 427 C MET A 28 71.317 3.493 5.240 1.00 0.00 C ATOM 428 O MET A 28 71.047 3.125 6.383 1.00 0.00 O ATOM 429 CB MET A 28 71.982 5.894 5.118 1.00 0.00 C ATOM 430 CG MET A 28 71.646 7.243 4.476 1.00 0.00 C ATOM 431 SD MET A 28 72.861 8.489 4.984 1.00 0.00 S ATOM 432 CE MET A 28 74.276 7.840 4.057 1.00 0.00 C ATOM 0 H MET A 28 69.688 5.773 6.209 1.00 0.00 H new ATOM 0 HA MET A 28 70.792 4.848 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 28 72.041 5.998 6.201 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.958 5.548 4.777 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.642 7.148 3.390 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.645 7.557 4.772 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.998 8.639 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.747 7.039 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.935 7.451 3.097 1.00 0.00 H new ATOM 442 N VAL A 29 71.983 2.730 4.370 1.00 0.00 N ATOM 443 CA VAL A 29 72.446 1.381 4.720 1.00 0.00 C ATOM 444 C VAL A 29 73.943 1.242 4.447 1.00 0.00 C ATOM 445 O VAL A 29 74.427 1.624 3.383 1.00 0.00 O ATOM 446 CB VAL A 29 71.670 0.339 3.904 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.300 -1.047 4.089 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.218 0.296 4.384 1.00 0.00 C ATOM 0 H VAL A 29 72.214 3.020 3.420 1.00 0.00 H new ATOM 0 HA VAL A 29 72.268 1.215 5.783 1.00 0.00 H new ATOM 0 HB VAL A 29 71.705 0.615 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.743 -1.781 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.335 -1.024 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.270 -1.323 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.665 -0.444 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 29 70.192 0.025 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.761 1.277 4.250 1.00 0.00 H new ATOM 458 N GLU A 30 74.670 0.689 5.420 1.00 0.00 N ATOM 459 CA GLU A 30 76.119 0.495 5.288 1.00 0.00 C ATOM 460 C GLU A 30 76.442 -0.981 5.047 1.00 0.00 C ATOM 461 O GLU A 30 75.643 -1.861 5.371 1.00 0.00 O ATOM 462 CB GLU A 30 76.820 0.975 6.562 1.00 0.00 C ATOM 463 CG GLU A 30 76.649 2.490 6.710 1.00 0.00 C ATOM 464 CD GLU A 30 77.403 3.213 5.599 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.295 2.609 5.026 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.078 4.360 5.339 1.00 0.00 O ATOM 0 H GLU A 30 74.282 0.368 6.307 1.00 0.00 H new ATOM 0 HA GLU A 30 76.474 1.074 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.403 0.466 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.879 0.722 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.591 2.750 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 77.021 2.813 7.682 1.00 0.00 H new ATOM 473 N LYS A 31 77.615 -1.242 4.476 1.00 0.00 N ATOM 474 CA LYS A 31 78.032 -2.614 4.195 1.00 0.00 C ATOM 475 C LYS A 31 78.170 -3.411 5.491 1.00 0.00 C ATOM 476 O LYS A 31 78.708 -2.912 6.478 1.00 0.00 O ATOM 477 CB LYS A 31 79.371 -2.609 3.440 1.00 0.00 C ATOM 478 CG LYS A 31 79.751 -4.040 3.054 1.00 0.00 C ATOM 479 CD LYS A 31 81.041 -4.024 2.230 1.00 0.00 C ATOM 480 CE LYS A 31 81.404 -5.450 1.817 1.00 0.00 C ATOM 481 NZ LYS A 31 81.809 -6.235 3.018 1.00 0.00 N ATOM 0 H LYS A 31 78.289 -0.528 4.200 1.00 0.00 H new ATOM 0 HA LYS A 31 77.270 -3.088 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.293 -1.990 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.150 -2.172 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.887 -4.645 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.946 -4.498 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.912 -3.400 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.851 -3.586 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.552 -5.926 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 82.217 -5.433 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.335 -7.081 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.414 -5.649 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.961 -6.524 3.546 1.00 0.00 H new ATOM 495 N ASP A 32 77.667 -4.649 5.482 1.00 0.00 N ATOM 496 CA ASP A 32 77.729 -5.512 6.661 1.00 0.00 C ATOM 497 C ASP A 32 77.025 -4.866 7.855 1.00 0.00 C ATOM 498 O ASP A 32 77.460 -5.014 8.996 1.00 0.00 O ATOM 499 CB ASP A 32 79.186 -5.818 7.024 1.00 0.00 C ATOM 500 CG ASP A 32 79.797 -6.735 5.968 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.046 -7.259 5.164 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.007 -6.896 5.978 1.00 0.00 O ATOM 0 H ASP A 32 77.214 -5.073 4.673 1.00 0.00 H new ATOM 0 HA ASP A 32 77.216 -6.443 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.757 -4.892 7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.235 -6.293 8.004 1.00 0.00 H new ATOM 507 N GLN A 33 75.925 -4.156 7.590 1.00 0.00 N ATOM 508 CA GLN A 33 75.165 -3.503 8.657 1.00 0.00 C ATOM 509 C GLN A 33 73.667 -3.602 8.375 1.00 0.00 C ATOM 510 O GLN A 33 73.097 -2.722 7.731 1.00 0.00 O ATOM 511 CB GLN A 33 75.570 -2.028 8.746 1.00 0.00 C ATOM 512 CG GLN A 33 74.873 -1.360 9.937 1.00 0.00 C ATOM 513 CD GLN A 33 75.361 -1.977 11.243 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.549 -2.275 11.384 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.513 -2.199 12.210 1.00 0.00 N ATOM 0 H GLN A 33 75.544 -4.020 6.654 1.00 0.00 H new ATOM 0 HA GLN A 33 75.383 -4.002 9.601 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.651 -1.946 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.303 -1.513 7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.076 -0.289 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.793 -1.480 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.530 -1.952 12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.833 -2.619 13.083 1.00 0.00 H new ATOM 524 N ASP A 34 73.028 -4.670 8.855 1.00 0.00 N ATOM 525 CA ASP A 34 71.599 -4.846 8.638 1.00 0.00 C ATOM 526 C ASP A 34 71.084 -6.042 9.428 1.00 0.00 C ATOM 527 O ASP A 34 71.848 -6.938 9.789 1.00 0.00 O ATOM 528 CB ASP A 34 71.311 -5.062 7.151 1.00 0.00 C ATOM 529 CG ASP A 34 69.808 -5.028 6.904 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.092 -4.617 7.803 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.393 -5.409 5.822 1.00 0.00 O ATOM 0 H ASP A 34 73.474 -5.415 9.390 1.00 0.00 H new ATOM 0 HA ASP A 34 71.090 -3.944 8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.803 -4.289 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.720 -6.019 6.828 1.00 0.00 H new ATOM 536 N LEU A 35 69.778 -6.058 9.689 1.00 0.00 N ATOM 537 CA LEU A 35 69.160 -7.158 10.432 1.00 0.00 C ATOM 538 C LEU A 35 67.867 -7.587 9.749 1.00 0.00 C ATOM 539 O LEU A 35 66.782 -7.121 10.086 1.00 0.00 O ATOM 540 CB LEU A 35 68.880 -6.727 11.877 1.00 0.00 C ATOM 541 CG LEU A 35 70.207 -6.489 12.606 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.925 -5.842 13.968 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.969 -7.817 12.804 1.00 0.00 C ATOM 0 H LEU A 35 69.129 -5.326 9.399 1.00 0.00 H new ATOM 0 HA LEU A 35 69.847 -8.004 10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.279 -5.817 11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.303 -7.495 12.392 1.00 0.00 H new ATOM 0 HG LEU A 35 70.828 -5.826 12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.866 -5.670 14.491 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.413 -4.891 13.820 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.295 -6.504 14.562 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.908 -7.624 13.323 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.361 -8.501 13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.177 -8.265 11.833 1.00 0.00 H new ATOM 555 N VAL A 36 67.999 -8.482 8.780 1.00 0.00 N ATOM 556 CA VAL A 36 66.852 -8.993 8.021 1.00 0.00 C ATOM 557 C VAL A 36 66.720 -10.497 8.245 1.00 0.00 C ATOM 558 O VAL A 36 67.712 -11.225 8.238 1.00 0.00 O ATOM 559 CB VAL A 36 67.050 -8.666 6.515 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.555 -8.635 6.200 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.369 -9.729 5.631 1.00 0.00 C ATOM 0 H VAL A 36 68.895 -8.876 8.494 1.00 0.00 H new ATOM 0 HA VAL A 36 65.933 -8.516 8.362 1.00 0.00 H new ATOM 0 HB VAL A 36 66.599 -7.696 6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.701 -8.406 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.038 -7.870 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 36 68.994 -9.607 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.520 -9.480 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 36 66.803 -10.707 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.301 -9.753 5.848 1.00 0.00 H new ATOM 571 N GLU A 37 65.485 -10.949 8.452 1.00 0.00 N ATOM 572 CA GLU A 37 65.219 -12.370 8.682 1.00 0.00 C ATOM 573 C GLU A 37 64.224 -12.889 7.651 1.00 0.00 C ATOM 574 O GLU A 37 63.155 -12.307 7.464 1.00 0.00 O ATOM 575 CB GLU A 37 64.647 -12.573 10.088 1.00 0.00 C ATOM 576 CG GLU A 37 65.693 -12.180 11.144 1.00 0.00 C ATOM 577 CD GLU A 37 65.688 -10.668 11.357 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.982 -9.989 10.630 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.385 -10.212 12.249 1.00 0.00 O ATOM 0 H GLU A 37 64.655 -10.356 8.466 1.00 0.00 H new ATOM 0 HA GLU A 37 66.155 -12.921 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.747 -11.971 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.355 -13.614 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 65.479 -12.687 12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.683 -12.506 10.824 1.00 0.00 H new ATOM 586 N VAL A 38 64.578 -13.986 6.983 1.00 0.00 N ATOM 587 CA VAL A 38 63.699 -14.584 5.969 1.00 0.00 C ATOM 588 C VAL A 38 63.513 -16.067 6.266 1.00 0.00 C ATOM 589 O VAL A 38 64.477 -16.794 6.508 1.00 0.00 O ATOM 590 CB VAL A 38 64.287 -14.358 4.557 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.778 -14.703 4.531 1.00 0.00 C ATOM 592 CG2 VAL A 38 63.564 -15.231 3.519 1.00 0.00 C ATOM 0 H VAL A 38 65.460 -14.479 7.121 1.00 0.00 H new ATOM 0 HA VAL A 38 62.721 -14.104 6.001 1.00 0.00 H new ATOM 0 HB VAL A 38 64.149 -13.306 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.172 -14.537 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 38 66.311 -14.069 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.914 -15.749 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 38 63.994 -15.056 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 38 63.680 -16.282 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 38 62.505 -14.975 3.503 1.00 0.00 H new ATOM 602 N MET A 39 62.250 -16.497 6.279 1.00 0.00 N ATOM 603 CA MET A 39 61.901 -17.889 6.573 1.00 0.00 C ATOM 604 C MET A 39 61.404 -18.594 5.314 1.00 0.00 C ATOM 605 O MET A 39 60.576 -18.060 4.577 1.00 0.00 O ATOM 606 CB MET A 39 60.804 -17.920 7.644 1.00 0.00 C ATOM 607 CG MET A 39 60.481 -19.367 8.023 1.00 0.00 C ATOM 608 SD MET A 39 59.206 -19.380 9.311 1.00 0.00 S ATOM 609 CE MET A 39 57.851 -18.705 8.313 1.00 0.00 C ATOM 0 H MET A 39 61.447 -15.897 6.088 1.00 0.00 H new ATOM 0 HA MET A 39 62.789 -18.407 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.130 -17.369 8.526 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.907 -17.424 7.272 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.135 -19.916 7.147 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.379 -19.871 8.380 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.896 -18.995 8.752 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.924 -17.618 8.289 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.917 -19.096 7.298 1.00 0.00 H new ATOM 619 N THR A 40 61.916 -19.800 5.076 1.00 0.00 N ATOM 620 CA THR A 40 61.525 -20.586 3.906 1.00 0.00 C ATOM 621 C THR A 40 60.489 -21.638 4.288 1.00 0.00 C ATOM 622 O THR A 40 59.287 -21.369 4.278 1.00 0.00 O ATOM 623 CB THR A 40 62.760 -21.273 3.303 1.00 0.00 C ATOM 624 OG1 THR A 40 62.369 -22.484 2.671 1.00 0.00 O ATOM 625 CG2 THR A 40 63.772 -21.582 4.409 1.00 0.00 C ATOM 0 H THR A 40 62.603 -20.255 5.678 1.00 0.00 H new ATOM 0 HA THR A 40 61.086 -19.914 3.169 1.00 0.00 H new ATOM 0 HB THR A 40 63.217 -20.609 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.157 -22.921 2.285 1.00 0.00 H new ATOM 0 HG21 THR A 40 64.646 -22.069 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.076 -20.654 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.315 -22.243 5.146 1.00 0.00 H new ATOM 633 N ASP A 41 60.953 -22.840 4.620 1.00 0.00 N ATOM 634 CA ASP A 41 60.036 -23.922 5.001 1.00 0.00 C ATOM 635 C ASP A 41 59.666 -23.809 6.476 1.00 0.00 C ATOM 636 O ASP A 41 58.486 -23.790 6.831 1.00 0.00 O ATOM 637 CB ASP A 41 60.688 -25.280 4.739 1.00 0.00 C ATOM 638 CG ASP A 41 62.046 -25.350 5.430 1.00 0.00 C ATOM 639 OD1 ASP A 41 62.808 -24.407 5.295 1.00 0.00 O ATOM 640 OD2 ASP A 41 62.305 -26.347 6.083 1.00 0.00 O ATOM 0 H ASP A 41 61.941 -23.092 4.635 1.00 0.00 H new ATOM 0 HA ASP A 41 59.131 -23.835 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.043 -26.079 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.808 -25.434 3.667 1.00 0.00 H new ATOM 645 N LYS A 42 60.683 -23.726 7.329 1.00 0.00 N ATOM 646 CA LYS A 42 60.462 -23.606 8.771 1.00 0.00 C ATOM 647 C LYS A 42 61.788 -23.391 9.503 1.00 0.00 C ATOM 648 O LYS A 42 62.141 -24.160 10.397 1.00 0.00 O ATOM 649 CB LYS A 42 59.776 -24.868 9.318 1.00 0.00 C ATOM 650 CG LYS A 42 59.224 -24.584 10.720 1.00 0.00 C ATOM 651 CD LYS A 42 58.422 -25.794 11.206 1.00 0.00 C ATOM 652 CE LYS A 42 57.841 -25.496 12.590 1.00 0.00 C ATOM 653 NZ LYS A 42 58.957 -25.257 13.548 1.00 0.00 N ATOM 0 H LYS A 42 61.664 -23.739 7.051 1.00 0.00 H new ATOM 0 HA LYS A 42 59.816 -22.744 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.968 -25.173 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.487 -25.694 9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.042 -24.375 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.590 -23.698 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.620 -26.018 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.063 -26.675 11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.191 -24.622 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.228 -26.332 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 58.618 -25.406 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 59.735 -25.918 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 59.298 -24.280 13.447 1.00 0.00 H new ATOM 667 N VAL A 43 62.507 -22.332 9.135 1.00 0.00 N ATOM 668 CA VAL A 43 63.780 -22.018 9.782 1.00 0.00 C ATOM 669 C VAL A 43 64.138 -20.555 9.567 1.00 0.00 C ATOM 670 O VAL A 43 63.738 -19.945 8.574 1.00 0.00 O ATOM 671 CB VAL A 43 64.902 -22.933 9.265 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.105 -22.756 7.756 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.206 -22.604 9.994 1.00 0.00 C ATOM 0 H VAL A 43 62.233 -21.682 8.399 1.00 0.00 H new ATOM 0 HA VAL A 43 63.670 -22.194 10.852 1.00 0.00 H new ATOM 0 HB VAL A 43 64.617 -23.967 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.904 -23.415 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.182 -23.006 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.373 -21.721 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 43 67.001 -23.253 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.473 -21.563 9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 43 66.074 -22.761 11.065 1.00 0.00 H new ATOM 683 N THR A 44 64.888 -19.987 10.509 1.00 0.00 N ATOM 684 CA THR A 44 65.289 -18.577 10.418 1.00 0.00 C ATOM 685 C THR A 44 66.751 -18.469 9.992 1.00 0.00 C ATOM 686 O THR A 44 67.650 -18.912 10.704 1.00 0.00 O ATOM 687 CB THR A 44 65.108 -17.897 11.780 1.00 0.00 C ATOM 688 OG1 THR A 44 63.873 -18.309 12.350 1.00 0.00 O ATOM 689 CG2 THR A 44 65.101 -16.375 11.615 1.00 0.00 C ATOM 0 H THR A 44 65.230 -20.473 11.338 1.00 0.00 H new ATOM 0 HA THR A 44 64.662 -18.084 9.675 1.00 0.00 H new ATOM 0 HB THR A 44 65.934 -18.182 12.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.755 -17.877 13.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.972 -15.904 12.589 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.046 -16.052 11.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.280 -16.084 10.960 1.00 0.00 H new ATOM 697 N VAL A 45 66.973 -17.857 8.832 1.00 0.00 N ATOM 698 CA VAL A 45 68.328 -17.661 8.303 1.00 0.00 C ATOM 699 C VAL A 45 68.604 -16.170 8.107 1.00 0.00 C ATOM 700 O VAL A 45 67.778 -15.438 7.551 1.00 0.00 O ATOM 701 CB VAL A 45 68.489 -18.403 6.973 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.349 -19.907 7.207 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.409 -17.943 5.998 1.00 0.00 C ATOM 0 H VAL A 45 66.233 -17.486 8.236 1.00 0.00 H new ATOM 0 HA VAL A 45 69.045 -18.063 9.019 1.00 0.00 H new ATOM 0 HB VAL A 45 69.473 -18.188 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.464 -20.435 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.118 -20.240 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.365 -20.120 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.524 -18.471 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.426 -18.158 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.505 -16.870 5.829 1.00 0.00 H new ATOM 713 N LYS A 46 69.769 -15.734 8.585 1.00 0.00 N ATOM 714 CA LYS A 46 70.177 -14.334 8.488 1.00 0.00 C ATOM 715 C LYS A 46 70.999 -14.091 7.224 1.00 0.00 C ATOM 716 O LYS A 46 71.889 -14.874 6.891 1.00 0.00 O ATOM 717 CB LYS A 46 71.005 -13.972 9.722 1.00 0.00 C ATOM 718 CG LYS A 46 71.350 -12.484 9.705 1.00 0.00 C ATOM 719 CD LYS A 46 72.146 -12.133 10.962 1.00 0.00 C ATOM 720 CE LYS A 46 72.441 -10.633 10.975 1.00 0.00 C ATOM 721 NZ LYS A 46 73.219 -10.292 12.200 1.00 0.00 N ATOM 0 H LYS A 46 70.451 -16.336 9.047 1.00 0.00 H new ATOM 0 HA LYS A 46 69.286 -13.708 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.448 -14.214 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.919 -14.565 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.931 -12.244 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.438 -11.888 9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.582 -12.411 11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.078 -12.698 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.004 -10.354 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.509 -10.068 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.421 -9.272 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.666 -10.544 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.114 -10.822 12.201 1.00 0.00 H new ATOM 735 N ILE A 47 70.692 -12.993 6.527 1.00 0.00 N ATOM 736 CA ILE A 47 71.403 -12.633 5.291 1.00 0.00 C ATOM 737 C ILE A 47 71.693 -11.121 5.255 1.00 0.00 C ATOM 738 O ILE A 47 70.873 -10.343 4.767 1.00 0.00 O ATOM 739 CB ILE A 47 70.553 -13.017 4.071 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.389 -14.542 4.031 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.253 -12.538 2.792 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.425 -14.930 2.908 1.00 0.00 C ATOM 0 H ILE A 47 69.958 -12.338 6.795 1.00 0.00 H new ATOM 0 HA ILE A 47 72.348 -13.175 5.266 1.00 0.00 H new ATOM 0 HB ILE A 47 69.572 -12.548 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.357 -15.017 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.011 -14.902 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 47 70.651 -12.809 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.372 -11.455 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.233 -13.009 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.312 -16.014 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.454 -14.468 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.821 -14.585 1.953 1.00 0.00 H new ATOM 754 N PRO A 48 72.834 -10.688 5.757 1.00 0.00 N ATOM 755 CA PRO A 48 73.216 -9.234 5.766 1.00 0.00 C ATOM 756 C PRO A 48 73.285 -8.648 4.348 1.00 0.00 C ATOM 757 O PRO A 48 73.626 -9.353 3.399 1.00 0.00 O ATOM 758 CB PRO A 48 74.604 -9.217 6.446 1.00 0.00 C ATOM 759 CG PRO A 48 74.718 -10.525 7.165 1.00 0.00 C ATOM 760 CD PRO A 48 73.879 -11.522 6.373 1.00 0.00 C ATOM 0 HA PRO A 48 72.481 -8.621 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.400 -9.104 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.690 -8.380 7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.757 -10.849 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.356 -10.439 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.475 -12.038 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.451 -12.288 7.020 1.00 0.00 H new ATOM 768 N SER A 49 72.954 -7.358 4.215 1.00 0.00 N ATOM 769 CA SER A 49 72.978 -6.687 2.913 1.00 0.00 C ATOM 770 C SER A 49 74.395 -6.711 2.315 1.00 0.00 C ATOM 771 O SER A 49 75.290 -6.057 2.850 1.00 0.00 O ATOM 772 CB SER A 49 72.542 -5.234 3.089 1.00 0.00 C ATOM 773 OG SER A 49 71.201 -5.203 3.559 1.00 0.00 O ATOM 0 H SER A 49 72.668 -6.761 4.991 1.00 0.00 H new ATOM 0 HA SER A 49 72.300 -7.210 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.200 -4.727 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.621 -4.701 2.142 1.00 0.00 H new ATOM 0 HG SER A 49 71.176 -5.492 4.495 1.00 0.00 H new ATOM 779 N PRO A 50 74.647 -7.443 1.242 1.00 0.00 N ATOM 780 CA PRO A 50 76.021 -7.503 0.641 1.00 0.00 C ATOM 781 C PRO A 50 76.461 -6.213 -0.080 1.00 0.00 C ATOM 782 O PRO A 50 77.650 -6.040 -0.349 1.00 0.00 O ATOM 783 CB PRO A 50 75.942 -8.695 -0.330 1.00 0.00 C ATOM 784 CG PRO A 50 74.497 -8.799 -0.712 1.00 0.00 C ATOM 785 CD PRO A 50 73.686 -8.291 0.487 1.00 0.00 C ATOM 0 HA PRO A 50 76.778 -7.617 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.570 -8.531 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 50 76.290 -9.612 0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 50 74.288 -8.204 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 50 74.233 -9.830 -0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.816 -7.718 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.317 -9.116 1.097 1.00 0.00 H new ATOM 793 N VAL A 51 75.519 -5.319 -0.412 1.00 0.00 N ATOM 794 CA VAL A 51 75.866 -4.070 -1.120 1.00 0.00 C ATOM 795 C VAL A 51 75.232 -2.852 -0.434 1.00 0.00 C ATOM 796 O VAL A 51 74.016 -2.807 -0.242 1.00 0.00 O ATOM 797 CB VAL A 51 75.384 -4.170 -2.583 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.139 -3.164 -3.464 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.641 -5.593 -3.101 1.00 0.00 C ATOM 0 H VAL A 51 74.526 -5.430 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 51 76.948 -3.938 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 51 74.319 -3.943 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.788 -3.246 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.958 -2.153 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.207 -3.378 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.303 -5.671 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.708 -5.811 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.095 -6.308 -2.486 1.00 0.00 H new ATOM 809 N ARG A 52 76.058 -1.861 -0.061 1.00 0.00 N ATOM 810 CA ARG A 52 75.557 -0.655 0.603 1.00 0.00 C ATOM 811 C ARG A 52 75.187 0.419 -0.425 1.00 0.00 C ATOM 812 O ARG A 52 75.778 0.480 -1.502 1.00 0.00 O ATOM 813 CB ARG A 52 76.627 -0.107 1.568 1.00 0.00 C ATOM 814 CG ARG A 52 77.833 0.457 0.793 1.00 0.00 C ATOM 815 CD ARG A 52 78.822 1.072 1.784 1.00 0.00 C ATOM 816 NE ARG A 52 79.956 1.654 1.076 1.00 0.00 N ATOM 817 CZ ARG A 52 80.894 2.332 1.730 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.805 2.493 3.022 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.905 2.842 1.081 1.00 0.00 N ATOM 0 H ARG A 52 77.067 -1.874 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 52 74.661 -0.918 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.193 0.675 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.959 -0.901 2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.317 -0.335 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.501 1.209 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.323 1.839 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.172 0.309 2.479 1.00 0.00 H new ATOM 0 HE ARG A 52 80.031 1.539 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.015 2.098 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.526 3.014 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.976 2.721 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.624 3.362 1.584 1.00 0.00 H new ATOM 833 N GLY A 53 74.227 1.276 -0.079 1.00 0.00 N ATOM 834 CA GLY A 53 73.821 2.350 -0.982 1.00 0.00 C ATOM 835 C GLY A 53 72.623 3.117 -0.422 1.00 0.00 C ATOM 836 O GLY A 53 72.511 3.300 0.789 1.00 0.00 O ATOM 0 H GLY A 53 73.723 1.249 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.655 3.035 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.567 1.933 -1.956 1.00 0.00 H new ATOM 840 N LYS A 54 71.733 3.580 -1.309 1.00 0.00 N ATOM 841 CA LYS A 54 70.554 4.343 -0.884 1.00 0.00 C ATOM 842 C LYS A 54 69.270 3.573 -1.187 1.00 0.00 C ATOM 843 O LYS A 54 69.095 3.048 -2.287 1.00 0.00 O ATOM 844 CB LYS A 54 70.529 5.688 -1.625 1.00 0.00 C ATOM 845 CG LYS A 54 69.383 6.562 -1.106 1.00 0.00 C ATOM 846 CD LYS A 54 69.405 7.900 -1.845 1.00 0.00 C ATOM 847 CE LYS A 54 68.281 8.800 -1.327 1.00 0.00 C ATOM 848 NZ LYS A 54 68.332 10.109 -2.036 1.00 0.00 N ATOM 0 H LYS A 54 71.806 3.441 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 54 70.613 4.507 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.479 6.204 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.410 5.519 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.427 6.061 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.488 6.723 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.369 8.388 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.287 7.736 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.314 8.323 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.386 8.951 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.569 10.723 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.251 10.564 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.212 9.955 -3.058 1.00 0.00 H new ATOM 862 N ILE A 55 68.368 3.522 -0.207 1.00 0.00 N ATOM 863 CA ILE A 55 67.095 2.828 -0.378 1.00 0.00 C ATOM 864 C ILE A 55 66.087 3.817 -0.976 1.00 0.00 C ATOM 865 O ILE A 55 65.834 4.873 -0.396 1.00 0.00 O ATOM 866 CB ILE A 55 66.603 2.332 0.993 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.796 1.829 1.819 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.605 1.186 0.815 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.617 0.817 1.019 1.00 0.00 C ATOM 0 H ILE A 55 68.496 3.951 0.709 1.00 0.00 H new ATOM 0 HA ILE A 55 67.208 1.971 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 55 66.115 3.160 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.426 2.670 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.439 1.369 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.265 0.845 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.751 1.534 0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.088 0.361 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.457 0.473 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.988 -0.033 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.991 1.289 0.111 1.00 0.00 H new ATOM 881 N VAL A 56 65.548 3.502 -2.155 1.00 0.00 N ATOM 882 CA VAL A 56 64.612 4.417 -2.822 1.00 0.00 C ATOM 883 C VAL A 56 63.157 4.173 -2.407 1.00 0.00 C ATOM 884 O VAL A 56 62.457 5.112 -2.030 1.00 0.00 O ATOM 885 CB VAL A 56 64.755 4.276 -4.353 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.556 4.920 -5.071 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.042 4.973 -4.810 1.00 0.00 C ATOM 0 H VAL A 56 65.737 2.638 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 56 64.867 5.431 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 56 64.791 3.216 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.676 4.810 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.636 4.428 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.506 5.979 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.145 4.875 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.998 6.029 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.899 4.511 -4.320 1.00 0.00 H new ATOM 897 N LYS A 57 62.690 2.928 -2.513 1.00 0.00 N ATOM 898 CA LYS A 57 61.295 2.629 -2.172 1.00 0.00 C ATOM 899 C LYS A 57 61.121 1.158 -1.799 1.00 0.00 C ATOM 900 O LYS A 57 61.956 0.315 -2.133 1.00 0.00 O ATOM 901 CB LYS A 57 60.402 2.972 -3.371 1.00 0.00 C ATOM 902 CG LYS A 57 58.928 2.932 -2.959 1.00 0.00 C ATOM 903 CD LYS A 57 58.055 3.417 -4.119 1.00 0.00 C ATOM 904 CE LYS A 57 56.590 3.426 -3.675 1.00 0.00 C ATOM 905 NZ LYS A 57 56.117 2.024 -3.490 1.00 0.00 N ATOM 0 H LYS A 57 63.240 2.127 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 57 61.009 3.230 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.655 3.962 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.580 2.265 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.646 1.917 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.768 3.561 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.361 4.417 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.182 2.765 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.485 3.982 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.976 3.933 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.078 2.010 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.446 1.439 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.497 1.644 -2.599 1.00 0.00 H new ATOM 919 N ILE A 58 60.021 0.857 -1.101 1.00 0.00 N ATOM 920 CA ILE A 58 59.721 -0.509 -0.675 1.00 0.00 C ATOM 921 C ILE A 58 58.589 -1.103 -1.523 1.00 0.00 C ATOM 922 O ILE A 58 57.500 -0.536 -1.604 1.00 0.00 O ATOM 923 CB ILE A 58 59.329 -0.484 0.816 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.542 -1.874 1.430 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.863 -0.047 0.970 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.811 -1.985 2.775 1.00 0.00 C ATOM 0 H ILE A 58 59.323 1.545 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 58 60.600 -1.138 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 58 59.960 0.234 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.176 -2.640 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.607 -2.056 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.597 -0.033 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.735 0.951 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.217 -0.749 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 58 58.973 -2.977 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.197 -1.232 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.744 -1.825 2.623 1.00 0.00 H new ATOM 938 N LEU A 59 58.858 -2.243 -2.161 1.00 0.00 N ATOM 939 CA LEU A 59 57.858 -2.905 -3.005 1.00 0.00 C ATOM 940 C LEU A 59 57.209 -4.081 -2.270 1.00 0.00 C ATOM 941 O LEU A 59 56.136 -4.546 -2.655 1.00 0.00 O ATOM 942 CB LEU A 59 58.524 -3.392 -4.302 1.00 0.00 C ATOM 943 CG LEU A 59 57.508 -4.131 -5.191 1.00 0.00 C ATOM 944 CD1 LEU A 59 56.302 -3.222 -5.491 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.187 -4.524 -6.509 1.00 0.00 C ATOM 0 H LEU A 59 59.755 -2.726 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 59 57.074 -2.187 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.939 -2.543 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.355 -4.055 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 59 57.158 -5.022 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.591 -3.757 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 59 55.818 -2.939 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 59 56.642 -2.325 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.473 -5.048 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 59 58.537 -3.627 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.035 -5.177 -6.301 1.00 0.00 H new ATOM 957 N TYR A 60 57.865 -4.557 -1.207 1.00 0.00 N ATOM 958 CA TYR A 60 57.347 -5.686 -0.418 1.00 0.00 C ATOM 959 C TYR A 60 56.907 -5.228 0.973 1.00 0.00 C ATOM 960 O TYR A 60 57.491 -4.316 1.559 1.00 0.00 O ATOM 961 CB TYR A 60 58.436 -6.785 -0.299 1.00 0.00 C ATOM 962 CG TYR A 60 58.286 -7.786 -1.437 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.440 -7.364 -2.764 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.980 -9.133 -1.165 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.285 -8.280 -3.813 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.825 -10.043 -2.215 1.00 0.00 C ATOM 967 CZ TYR A 60 57.977 -9.618 -3.539 1.00 0.00 C ATOM 968 OH TYR A 60 57.822 -10.515 -4.576 1.00 0.00 O ATOM 0 H TYR A 60 58.752 -4.182 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 60 56.476 -6.094 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.427 -6.332 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.347 -7.295 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.678 -6.333 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.865 -9.464 -0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.403 -7.953 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.588 -11.075 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 60 57.849 -11.429 -4.224 1.00 0.00 H new ATOM 978 N ARG A 61 55.864 -5.886 1.492 1.00 0.00 N ATOM 979 CA ARG A 61 55.323 -5.574 2.818 1.00 0.00 C ATOM 980 C ARG A 61 55.353 -6.816 3.702 1.00 0.00 C ATOM 981 O ARG A 61 55.580 -7.928 3.223 1.00 0.00 O ATOM 982 CB ARG A 61 53.885 -5.066 2.696 1.00 0.00 C ATOM 983 CG ARG A 61 53.885 -3.690 2.028 1.00 0.00 C ATOM 984 CD ARG A 61 52.448 -3.188 1.888 1.00 0.00 C ATOM 985 NE ARG A 61 52.433 -1.875 1.251 1.00 0.00 N ATOM 986 CZ ARG A 61 51.288 -1.284 0.928 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.157 -1.895 1.141 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.298 -0.098 0.384 1.00 0.00 N ATOM 0 H ARG A 61 55.376 -6.641 1.010 1.00 0.00 H new ATOM 0 HA ARG A 61 55.939 -4.797 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.289 -5.766 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.425 -5.003 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.470 -2.987 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.357 -3.751 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.864 -3.894 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.978 -3.129 2.870 1.00 0.00 H new ATOM 0 HE ARG A 61 53.315 -1.404 1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.151 -2.827 1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.278 -1.441 0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.184 0.374 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.419 0.357 0.136 1.00 0.00 H new ATOM 1002 N GLU A 62 55.139 -6.616 4.997 1.00 0.00 N ATOM 1003 CA GLU A 62 55.158 -7.721 5.955 1.00 0.00 C ATOM 1004 C GLU A 62 54.062 -8.747 5.662 1.00 0.00 C ATOM 1005 O GLU A 62 52.932 -8.387 5.331 1.00 0.00 O ATOM 1006 CB GLU A 62 54.946 -7.184 7.375 1.00 0.00 C ATOM 1007 CG GLU A 62 56.145 -6.337 7.799 1.00 0.00 C ATOM 1008 CD GLU A 62 55.922 -5.790 9.206 1.00 0.00 C ATOM 1009 OE1 GLU A 62 54.925 -6.153 9.808 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.749 -5.015 9.656 1.00 0.00 O ATOM 0 H GLU A 62 54.951 -5.702 5.410 1.00 0.00 H new ATOM 0 HA GLU A 62 56.129 -8.208 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.036 -6.586 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.812 -8.013 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.054 -6.938 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.287 -5.515 7.098 1.00 0.00 H new ATOM 1017 N GLY A 63 54.402 -10.026 5.823 1.00 0.00 N ATOM 1018 CA GLY A 63 53.431 -11.108 5.610 1.00 0.00 C ATOM 1019 C GLY A 63 53.363 -11.549 4.150 1.00 0.00 C ATOM 1020 O GLY A 63 52.529 -12.383 3.792 1.00 0.00 O ATOM 0 H GLY A 63 55.333 -10.340 6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.700 -11.961 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.444 -10.776 5.933 1.00 0.00 H new ATOM 1024 N GLN A 64 54.228 -11.000 3.302 1.00 0.00 N ATOM 1025 CA GLN A 64 54.220 -11.372 1.887 1.00 0.00 C ATOM 1026 C GLN A 64 55.054 -12.621 1.621 1.00 0.00 C ATOM 1027 O GLN A 64 56.180 -12.751 2.100 1.00 0.00 O ATOM 1028 CB GLN A 64 54.742 -10.216 1.028 1.00 0.00 C ATOM 1029 CG GLN A 64 53.696 -9.101 0.986 1.00 0.00 C ATOM 1030 CD GLN A 64 54.171 -7.969 0.084 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.235 -8.060 -0.524 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.435 -6.897 -0.035 1.00 0.00 N ATOM 0 H GLN A 64 54.932 -10.309 3.561 1.00 0.00 H new ATOM 0 HA GLN A 64 53.187 -11.592 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.678 -9.837 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.956 -10.567 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.748 -9.495 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.516 -8.723 1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.552 -6.825 0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.743 -6.131 -0.634 1.00 0.00 H new ATOM 1041 N VAL A 65 54.484 -13.524 0.821 1.00 0.00 N ATOM 1042 CA VAL A 65 55.155 -14.769 0.438 1.00 0.00 C ATOM 1043 C VAL A 65 55.109 -14.903 -1.079 1.00 0.00 C ATOM 1044 O VAL A 65 54.040 -14.809 -1.682 1.00 0.00 O ATOM 1045 CB VAL A 65 54.463 -15.975 1.092 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.957 -15.928 0.816 1.00 0.00 C ATOM 1047 CG2 VAL A 65 55.047 -17.274 0.522 1.00 0.00 C ATOM 0 H VAL A 65 53.551 -13.415 0.423 1.00 0.00 H new ATOM 0 HA VAL A 65 56.190 -14.743 0.778 1.00 0.00 H new ATOM 0 HB VAL A 65 54.631 -15.941 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.475 -16.787 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.540 -15.009 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.783 -15.955 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.555 -18.129 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.885 -17.304 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 65 56.116 -17.314 0.729 1.00 0.00 H new ATOM 1057 N VAL A 66 56.274 -15.101 -1.693 1.00 0.00 N ATOM 1058 CA VAL A 66 56.355 -15.222 -3.151 1.00 0.00 C ATOM 1059 C VAL A 66 57.520 -16.143 -3.558 1.00 0.00 C ATOM 1060 O VAL A 66 58.621 -15.994 -3.029 1.00 0.00 O ATOM 1061 CB VAL A 66 56.600 -13.837 -3.762 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.372 -13.894 -5.274 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.637 -12.816 -3.150 1.00 0.00 C ATOM 0 H VAL A 66 57.169 -15.181 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 66 55.417 -15.644 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 66 57.627 -13.537 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.547 -12.909 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 57.061 -14.612 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.346 -14.202 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.819 -11.835 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.609 -13.119 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.797 -12.765 -2.073 1.00 0.00 H new ATOM 1073 N PRO A 67 57.343 -17.054 -4.502 1.00 0.00 N ATOM 1074 CA PRO A 67 58.464 -17.938 -4.952 1.00 0.00 C ATOM 1075 C PRO A 67 59.700 -17.129 -5.366 1.00 0.00 C ATOM 1076 O PRO A 67 59.584 -16.065 -5.973 1.00 0.00 O ATOM 1077 CB PRO A 67 57.885 -18.695 -6.165 1.00 0.00 C ATOM 1078 CG PRO A 67 56.399 -18.641 -6.004 1.00 0.00 C ATOM 1079 CD PRO A 67 56.086 -17.360 -5.225 1.00 0.00 C ATOM 0 HA PRO A 67 58.800 -18.600 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 67 58.195 -18.230 -7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 67 58.239 -19.726 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.905 -18.634 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 67 56.036 -19.518 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.804 -16.547 -5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 67 55.256 -17.507 -4.534 1.00 0.00 H new ATOM 1087 N VAL A 68 60.877 -17.654 -5.034 1.00 0.00 N ATOM 1088 CA VAL A 68 62.136 -16.989 -5.375 1.00 0.00 C ATOM 1089 C VAL A 68 62.194 -16.667 -6.867 1.00 0.00 C ATOM 1090 O VAL A 68 61.978 -17.533 -7.713 1.00 0.00 O ATOM 1091 CB VAL A 68 63.315 -17.898 -4.987 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.125 -19.286 -5.607 1.00 0.00 C ATOM 1093 CG2 VAL A 68 64.630 -17.303 -5.502 1.00 0.00 C ATOM 0 H VAL A 68 60.987 -18.535 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 68 62.198 -16.052 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 68 63.350 -17.978 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.962 -19.926 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 68 62.196 -19.724 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 68 63.081 -19.197 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 68 65.458 -17.954 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 64.589 -17.215 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.780 -16.317 -5.063 1.00 0.00 H new ATOM 1103 N GLY A 69 62.493 -15.403 -7.177 1.00 0.00 N ATOM 1104 CA GLY A 69 62.592 -14.951 -8.571 1.00 0.00 C ATOM 1105 C GLY A 69 61.964 -13.570 -8.777 1.00 0.00 C ATOM 1106 O GLY A 69 61.190 -13.375 -9.715 1.00 0.00 O ATOM 0 H GLY A 69 62.671 -14.675 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.640 -14.919 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 69 62.099 -15.673 -9.221 1.00 0.00 H new ATOM 1110 N SER A 70 62.300 -12.608 -7.916 1.00 0.00 N ATOM 1111 CA SER A 70 61.751 -11.262 -8.061 1.00 0.00 C ATOM 1112 C SER A 70 62.549 -10.256 -7.236 1.00 0.00 C ATOM 1113 O SER A 70 63.276 -10.631 -6.316 1.00 0.00 O ATOM 1114 CB SER A 70 60.289 -11.233 -7.618 1.00 0.00 C ATOM 1115 OG SER A 70 60.178 -11.765 -6.306 1.00 0.00 O ATOM 0 H SER A 70 62.936 -12.732 -7.128 1.00 0.00 H new ATOM 0 HA SER A 70 61.817 -10.987 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.912 -10.210 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.677 -11.813 -8.309 1.00 0.00 H new ATOM 0 HG SER A 70 59.434 -11.330 -5.839 1.00 0.00 H new ATOM 1121 N THR A 71 62.393 -8.969 -7.557 1.00 0.00 N ATOM 1122 CA THR A 71 63.090 -7.916 -6.820 1.00 0.00 C ATOM 1123 C THR A 71 62.235 -7.474 -5.634 1.00 0.00 C ATOM 1124 O THR A 71 61.062 -7.142 -5.798 1.00 0.00 O ATOM 1125 CB THR A 71 63.386 -6.720 -7.737 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.360 -5.891 -7.122 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.107 -5.912 -7.984 1.00 0.00 C ATOM 0 H THR A 71 61.797 -8.635 -8.314 1.00 0.00 H new ATOM 0 HA THR A 71 64.039 -8.307 -6.455 1.00 0.00 H new ATOM 0 HB THR A 71 63.761 -7.086 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.554 -5.127 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.330 -5.067 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.360 -6.549 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 71 61.719 -5.545 -7.034 1.00 0.00 H new ATOM 1135 N LEU A 72 62.819 -7.496 -4.441 1.00 0.00 N ATOM 1136 CA LEU A 72 62.088 -7.119 -3.231 1.00 0.00 C ATOM 1137 C LEU A 72 62.363 -5.666 -2.843 1.00 0.00 C ATOM 1138 O LEU A 72 61.760 -5.143 -1.906 1.00 0.00 O ATOM 1139 CB LEU A 72 62.516 -8.034 -2.086 1.00 0.00 C ATOM 1140 CG LEU A 72 62.397 -9.501 -2.522 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.740 -10.409 -1.343 1.00 0.00 C ATOM 1142 CD2 LEU A 72 60.968 -9.793 -3.006 1.00 0.00 C ATOM 0 H LEU A 72 63.789 -7.768 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 72 61.021 -7.223 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.543 -7.813 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.892 -7.853 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 72 63.091 -9.690 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.656 -11.451 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.760 -10.209 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 72 62.049 -10.216 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 72 60.894 -10.836 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.264 -9.602 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.732 -9.148 -3.852 1.00 0.00 H new ATOM 1154 N LEU A 73 63.276 -5.024 -3.563 1.00 0.00 N ATOM 1155 CA LEU A 73 63.621 -3.633 -3.278 1.00 0.00 C ATOM 1156 C LEU A 73 64.511 -3.102 -4.404 1.00 0.00 C ATOM 1157 O LEU A 73 65.289 -3.852 -4.994 1.00 0.00 O ATOM 1158 CB LEU A 73 64.347 -3.555 -1.911 1.00 0.00 C ATOM 1159 CG LEU A 73 64.224 -2.154 -1.252 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.306 -2.300 0.276 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.365 -1.233 -1.716 1.00 0.00 C ATOM 0 H LEU A 73 63.788 -5.438 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 73 62.721 -3.020 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.932 -4.307 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.401 -3.797 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 73 63.269 -1.719 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.220 -1.318 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.494 -2.939 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.262 -2.747 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.260 -0.257 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.323 -1.671 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.322 -1.118 -2.799 1.00 0.00 H new ATOM 1173 N GLN A 74 64.415 -1.805 -4.682 1.00 0.00 N ATOM 1174 CA GLN A 74 65.244 -1.181 -5.727 1.00 0.00 C ATOM 1175 C GLN A 74 66.371 -0.406 -5.051 1.00 0.00 C ATOM 1176 O GLN A 74 66.122 0.421 -4.174 1.00 0.00 O ATOM 1177 CB GLN A 74 64.391 -0.239 -6.599 1.00 0.00 C ATOM 1178 CG GLN A 74 63.692 -1.025 -7.724 1.00 0.00 C ATOM 1179 CD GLN A 74 62.752 -0.103 -8.495 1.00 0.00 C ATOM 1180 OE1 GLN A 74 62.184 0.825 -7.923 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.555 -0.309 -9.768 1.00 0.00 N ATOM 0 H GLN A 74 63.779 -1.164 -4.207 1.00 0.00 H new ATOM 0 HA GLN A 74 65.662 -1.950 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.646 0.262 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.023 0.538 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.435 -1.448 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.132 -1.860 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 74 63.028 -1.080 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.928 0.301 -10.292 1.00 0.00 H new ATOM 1190 N ILE A 75 67.617 -0.705 -5.438 1.00 0.00 N ATOM 1191 CA ILE A 75 68.783 -0.055 -4.828 1.00 0.00 C ATOM 1192 C ILE A 75 69.694 0.570 -5.878 1.00 0.00 C ATOM 1193 O ILE A 75 70.111 -0.086 -6.832 1.00 0.00 O ATOM 1194 CB ILE A 75 69.574 -1.099 -4.022 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.712 -1.635 -2.872 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.843 -0.481 -3.435 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.394 -2.857 -2.257 1.00 0.00 C ATOM 0 H ILE A 75 67.843 -1.386 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 75 68.427 0.743 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 75 69.846 -1.911 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.573 -0.863 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.721 -1.903 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.387 -1.237 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.473 -0.108 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.574 0.343 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.784 -3.241 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.510 -3.630 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.375 -2.573 -1.876 1.00 0.00 H new ATOM 1209 N ASP A 76 70.013 1.842 -5.665 1.00 0.00 N ATOM 1210 CA ASP A 76 70.899 2.586 -6.561 1.00 0.00 C ATOM 1211 C ASP A 76 72.325 2.592 -6.020 1.00 0.00 C ATOM 1212 O ASP A 76 72.593 3.149 -4.955 1.00 0.00 O ATOM 1213 CB ASP A 76 70.410 4.025 -6.699 1.00 0.00 C ATOM 1214 CG ASP A 76 70.206 4.642 -5.320 1.00 0.00 C ATOM 1215 OD1 ASP A 76 70.064 3.890 -4.372 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.186 5.860 -5.234 1.00 0.00 O ATOM 0 H ASP A 76 69.669 2.386 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 76 70.889 2.098 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 76 71.134 4.611 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 76 69.475 4.048 -7.258 1.00 0.00 H new ATOM 1221 N THR A 77 73.238 1.971 -6.759 1.00 0.00 N ATOM 1222 CA THR A 77 74.633 1.915 -6.338 1.00 0.00 C ATOM 1223 C THR A 77 75.238 3.315 -6.298 1.00 0.00 C ATOM 1224 O THR A 77 74.502 4.263 -6.521 1.00 0.00 O ATOM 1225 CB THR A 77 75.440 1.034 -7.295 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.814 1.087 -6.939 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.268 1.539 -8.729 1.00 0.00 C ATOM 1228 OXT THR A 77 76.426 3.419 -6.038 1.00 0.00 O ATOM 0 H THR A 77 73.040 1.504 -7.644 1.00 0.00 H new ATOM 0 HA THR A 77 74.670 1.486 -5.337 1.00 0.00 H new ATOM 0 HB THR A 77 75.083 0.006 -7.228 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.991 1.911 -6.438 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.844 0.910 -9.408 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.214 1.500 -9.004 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.624 2.567 -8.798 1.00 0.00 H new