USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 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 60 TYR OH : rot 120:sc= -1.08 USER MOD Set 1.2: A 70 SER OG : rot 148:sc= 0.0446 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.501 (180deg=-0.685) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= -2.49 (180deg=-2.63!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 141:sc= -0.224 (180deg=-1.36!) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.62) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 39 MET CE :methyl 155:sc= -0.123 (180deg=-0.87) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0237 (180deg=-0.356) 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 119:sc= -1.57 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc=-0.00385 (180deg=-0.263) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.0883 (180deg=-0.525) USER MOD Single : A 64 GLN : amide:sc= -0.165 K(o=-0.16,f=-1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -4.24! C(o=-4.2!,f=-12!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.366 1.068 -10.119 1.00 0.00 N ATOM 2 CA MET A 1 70.152 0.274 -10.464 1.00 0.00 C ATOM 3 C MET A 1 70.448 -1.204 -10.249 1.00 0.00 C ATOM 4 O MET A 1 70.162 -2.038 -11.108 1.00 0.00 O ATOM 5 CB MET A 1 69.784 0.528 -11.925 1.00 0.00 C ATOM 6 CG MET A 1 69.282 1.963 -12.078 1.00 0.00 C ATOM 7 SD MET A 1 68.847 2.267 -13.808 1.00 0.00 S ATOM 8 CE MET A 1 68.519 4.041 -13.668 1.00 0.00 C ATOM 0 H1 MET A 1 71.137 2.082 -10.149 1.00 0.00 H new ATOM 0 H2 MET A 1 71.687 0.813 -9.163 1.00 0.00 H new ATOM 0 H3 MET A 1 72.121 0.863 -10.804 1.00 0.00 H new ATOM 0 HA MET A 1 69.317 0.570 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.652 0.364 -12.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.015 -0.175 -12.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.414 2.126 -11.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.051 2.665 -11.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.229 4.435 -14.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.712 4.207 -12.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.418 4.551 -13.323 1.00 0.00 H new ATOM 20 N TYR A 2 71.032 -1.517 -9.097 1.00 0.00 N ATOM 21 CA TYR A 2 71.379 -2.896 -8.769 1.00 0.00 C ATOM 22 C TYR A 2 70.176 -3.593 -8.145 1.00 0.00 C ATOM 23 O TYR A 2 69.597 -3.104 -7.174 1.00 0.00 O ATOM 24 CB TYR A 2 72.559 -2.914 -7.786 1.00 0.00 C ATOM 25 CG TYR A 2 73.272 -4.258 -7.844 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.780 -5.362 -7.126 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.436 -4.401 -8.619 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.445 -6.593 -7.185 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.096 -5.633 -8.675 1.00 0.00 C ATOM 30 CZ TYR A 2 74.601 -6.727 -7.959 1.00 0.00 C ATOM 31 OH TYR A 2 75.253 -7.942 -8.018 1.00 0.00 O ATOM 0 H TYR A 2 71.275 -0.837 -8.376 1.00 0.00 H new ATOM 0 HA TYR A 2 71.665 -3.422 -9.680 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.257 -2.113 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.201 -2.728 -6.773 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.887 -5.260 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.822 -3.558 -9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 2 73.064 -7.439 -6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.989 -5.739 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 2 76.037 -7.864 -8.600 1.00 0.00 H new ATOM 41 N GLU A 3 69.796 -4.734 -8.709 1.00 0.00 N ATOM 42 CA GLU A 3 68.648 -5.487 -8.205 1.00 0.00 C ATOM 43 C GLU A 3 69.093 -6.535 -7.190 1.00 0.00 C ATOM 44 O GLU A 3 70.051 -7.272 -7.425 1.00 0.00 O ATOM 45 CB GLU A 3 67.928 -6.179 -9.369 1.00 0.00 C ATOM 46 CG GLU A 3 67.445 -5.129 -10.381 1.00 0.00 C ATOM 47 CD GLU A 3 68.591 -4.704 -11.296 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.705 -5.146 -11.071 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.332 -3.948 -12.219 1.00 0.00 O ATOM 0 H GLU A 3 70.262 -5.158 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 3 67.969 -4.790 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.601 -6.885 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.081 -6.753 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.628 -5.537 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.051 -4.260 -9.853 1.00 0.00 H new ATOM 56 N PHE A 4 68.373 -6.615 -6.068 1.00 0.00 N ATOM 57 CA PHE A 4 68.682 -7.600 -5.024 1.00 0.00 C ATOM 58 C PHE A 4 67.593 -8.663 -5.000 1.00 0.00 C ATOM 59 O PHE A 4 66.463 -8.407 -4.581 1.00 0.00 O ATOM 60 CB PHE A 4 68.799 -6.903 -3.651 1.00 0.00 C ATOM 61 CG PHE A 4 68.741 -7.910 -2.506 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.749 -8.881 -2.352 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.670 -7.873 -1.589 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.681 -9.801 -1.297 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.610 -8.797 -0.541 1.00 0.00 C ATOM 66 CZ PHE A 4 68.613 -9.761 -0.398 1.00 0.00 C ATOM 0 H PHE A 4 67.576 -6.014 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 4 69.638 -8.076 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.736 -6.348 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.993 -6.178 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.575 -8.917 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.894 -7.129 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 4 70.457 -10.543 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.788 -8.766 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 4 68.562 -10.476 0.410 1.00 0.00 H new ATOM 76 N LYS A 5 67.950 -9.859 -5.462 1.00 0.00 N ATOM 77 CA LYS A 5 67.015 -10.983 -5.512 1.00 0.00 C ATOM 78 C LYS A 5 67.464 -12.077 -4.557 1.00 0.00 C ATOM 79 O LYS A 5 68.656 -12.356 -4.440 1.00 0.00 O ATOM 80 CB LYS A 5 66.969 -11.548 -6.936 1.00 0.00 C ATOM 81 CG LYS A 5 66.393 -10.498 -7.886 1.00 0.00 C ATOM 82 CD LYS A 5 66.433 -11.035 -9.319 1.00 0.00 C ATOM 83 CE LYS A 5 65.905 -9.971 -10.283 1.00 0.00 C ATOM 84 NZ LYS A 5 64.448 -9.763 -10.050 1.00 0.00 N ATOM 0 H LYS A 5 68.884 -10.076 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 5 66.025 -10.633 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.971 -11.833 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.357 -12.450 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.368 -10.259 -7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.967 -9.574 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.454 -11.308 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.830 -11.940 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.444 -9.035 -10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.078 -10.282 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.134 -8.909 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.919 -10.587 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.272 -9.648 -9.031 1.00 0.00 H new ATOM 98 N LEU A 6 66.504 -12.702 -3.891 1.00 0.00 N ATOM 99 CA LEU A 6 66.818 -13.783 -2.952 1.00 0.00 C ATOM 100 C LEU A 6 67.320 -15.009 -3.744 1.00 0.00 C ATOM 101 O LEU A 6 66.545 -15.605 -4.491 1.00 0.00 O ATOM 102 CB LEU A 6 65.560 -14.155 -2.139 1.00 0.00 C ATOM 103 CG LEU A 6 65.950 -14.935 -0.873 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.717 -15.086 0.028 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.495 -16.324 -1.245 1.00 0.00 C ATOM 0 H LEU A 6 65.511 -12.487 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 6 67.594 -13.455 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.017 -13.251 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.888 -14.756 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 6 66.729 -14.387 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.989 -15.639 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.347 -14.099 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.938 -15.627 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.767 -16.863 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.730 -16.883 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.376 -16.212 -1.878 1.00 0.00 H new ATOM 117 N PRO A 7 68.587 -15.395 -3.634 1.00 0.00 N ATOM 118 CA PRO A 7 69.130 -16.556 -4.413 1.00 0.00 C ATOM 119 C PRO A 7 68.605 -17.904 -3.915 1.00 0.00 C ATOM 120 O PRO A 7 68.189 -18.036 -2.767 1.00 0.00 O ATOM 121 CB PRO A 7 70.648 -16.431 -4.228 1.00 0.00 C ATOM 122 CG PRO A 7 70.813 -15.771 -2.900 1.00 0.00 C ATOM 123 CD PRO A 7 69.636 -14.800 -2.767 1.00 0.00 C ATOM 0 HA PRO A 7 68.822 -16.528 -5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.131 -17.408 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.097 -15.837 -5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.807 -16.506 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.764 -15.242 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.301 -14.717 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.906 -13.797 -3.096 1.00 0.00 H new ATOM 221 N GLU A 15 59.113 -20.750 -1.876 1.00 0.00 N ATOM 222 CA GLU A 15 58.393 -19.594 -1.320 1.00 0.00 C ATOM 223 C GLU A 15 59.310 -18.763 -0.431 1.00 0.00 C ATOM 224 O GLU A 15 60.162 -19.302 0.275 1.00 0.00 O ATOM 225 CB GLU A 15 57.185 -20.055 -0.505 1.00 0.00 C ATOM 226 CG GLU A 15 56.195 -20.807 -1.404 1.00 0.00 C ATOM 227 CD GLU A 15 56.635 -22.255 -1.577 1.00 0.00 C ATOM 228 OE1 GLU A 15 57.708 -22.587 -1.102 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.892 -23.006 -2.187 1.00 0.00 O ATOM 0 HA GLU A 15 58.053 -18.981 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.512 -20.702 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.694 -19.194 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.197 -20.773 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.134 -20.319 -2.377 1.00 0.00 H new ATOM 236 N GLY A 16 59.126 -17.442 -0.467 1.00 0.00 N ATOM 237 CA GLY A 16 59.933 -16.527 0.341 1.00 0.00 C ATOM 238 C GLY A 16 59.027 -15.620 1.173 1.00 0.00 C ATOM 239 O GLY A 16 58.154 -14.948 0.628 1.00 0.00 O ATOM 0 H GLY A 16 58.425 -16.982 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.593 -17.095 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.569 -15.923 -0.306 1.00 0.00 H new ATOM 243 N GLU A 17 59.226 -15.607 2.497 1.00 0.00 N ATOM 244 CA GLU A 17 58.403 -14.784 3.389 1.00 0.00 C ATOM 245 C GLU A 17 59.284 -13.924 4.290 1.00 0.00 C ATOM 246 O GLU A 17 60.294 -14.394 4.815 1.00 0.00 O ATOM 247 CB GLU A 17 57.514 -15.691 4.252 1.00 0.00 C ATOM 248 CG GLU A 17 56.571 -14.844 5.117 1.00 0.00 C ATOM 249 CD GLU A 17 57.299 -14.309 6.350 1.00 0.00 C ATOM 250 OE1 GLU A 17 58.420 -14.728 6.591 1.00 0.00 O ATOM 251 OE2 GLU A 17 56.713 -13.499 7.051 1.00 0.00 O ATOM 0 H GLU A 17 59.945 -16.154 2.971 1.00 0.00 H new ATOM 0 HA GLU A 17 57.779 -14.128 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.933 -16.357 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.135 -16.321 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.181 -14.012 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.716 -15.445 5.426 1.00 0.00 H new ATOM 258 N ILE A 18 58.891 -12.664 4.467 1.00 0.00 N ATOM 259 CA ILE A 18 59.646 -11.732 5.309 1.00 0.00 C ATOM 260 C ILE A 18 58.978 -11.557 6.671 1.00 0.00 C ATOM 261 O ILE A 18 57.876 -11.020 6.771 1.00 0.00 O ATOM 262 CB ILE A 18 59.745 -10.372 4.593 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.707 -10.483 3.389 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.243 -9.291 5.560 1.00 0.00 C ATOM 265 CD1 ILE A 18 62.173 -10.323 3.837 1.00 0.00 C ATOM 0 H ILE A 18 58.056 -12.263 4.040 1.00 0.00 H new ATOM 0 HA ILE A 18 60.644 -12.138 5.475 1.00 0.00 H new ATOM 0 HB ILE A 18 58.753 -10.091 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.575 -11.449 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.463 -9.718 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.307 -8.337 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.548 -9.202 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.229 -9.565 5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.829 -10.405 2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.307 -9.346 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.421 -11.104 4.556 1.00 0.00 H new ATOM 277 N VAL A 19 59.668 -12.006 7.720 1.00 0.00 N ATOM 278 CA VAL A 19 59.155 -11.890 9.080 1.00 0.00 C ATOM 279 C VAL A 19 59.500 -10.517 9.667 1.00 0.00 C ATOM 280 O VAL A 19 58.665 -9.887 10.317 1.00 0.00 O ATOM 281 CB VAL A 19 59.753 -13.000 9.948 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.252 -12.756 10.133 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.054 -13.020 11.311 1.00 0.00 C ATOM 0 H VAL A 19 60.582 -12.453 7.651 1.00 0.00 H new ATOM 0 HA VAL A 19 58.070 -11.992 9.061 1.00 0.00 H new ATOM 0 HB VAL A 19 59.606 -13.963 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.676 -13.547 10.751 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.743 -12.753 9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.407 -11.793 10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.481 -13.811 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.194 -12.059 11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.989 -13.204 11.171 1.00 0.00 H new ATOM 293 N ARG A 20 60.735 -10.058 9.433 1.00 0.00 N ATOM 294 CA ARG A 20 61.183 -8.751 9.943 1.00 0.00 C ATOM 295 C ARG A 20 62.053 -8.025 8.918 1.00 0.00 C ATOM 296 O ARG A 20 62.809 -8.652 8.175 1.00 0.00 O ATOM 297 CB ARG A 20 61.986 -8.939 11.233 1.00 0.00 C ATOM 298 CG ARG A 20 61.050 -9.343 12.372 1.00 0.00 C ATOM 299 CD ARG A 20 61.871 -9.650 13.625 1.00 0.00 C ATOM 300 NE ARG A 20 62.591 -8.455 14.051 1.00 0.00 N ATOM 301 CZ ARG A 20 63.495 -8.505 15.022 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.749 -9.637 15.619 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.126 -7.419 15.382 1.00 0.00 N ATOM 0 H ARG A 20 61.440 -10.566 8.898 1.00 0.00 H new ATOM 0 HA ARG A 20 60.295 -8.150 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.749 -9.704 11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.505 -8.015 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.342 -8.540 12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.466 -10.217 12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.215 -9.995 14.425 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.575 -10.456 13.420 1.00 0.00 H new ATOM 0 HE ARG A 20 62.396 -7.564 13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.253 -10.483 15.340 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.444 -9.676 16.365 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.924 -6.534 14.917 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.821 -7.456 16.128 1.00 0.00 H new ATOM 317 N TRP A 21 61.961 -6.689 8.908 1.00 0.00 N ATOM 318 CA TRP A 21 62.771 -5.861 7.998 1.00 0.00 C ATOM 319 C TRP A 21 63.830 -5.117 8.810 1.00 0.00 C ATOM 320 O TRP A 21 63.545 -4.597 9.889 1.00 0.00 O ATOM 321 CB TRP A 21 61.897 -4.830 7.234 1.00 0.00 C ATOM 322 CG TRP A 21 61.467 -5.369 5.902 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.183 -5.572 5.533 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.295 -5.751 4.754 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.166 -6.070 4.240 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.439 -6.199 3.719 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.687 -5.760 4.511 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.941 -6.637 2.491 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.194 -6.201 3.275 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.322 -6.640 2.268 1.00 0.00 C ATOM 0 H TRP A 21 61.337 -6.158 9.516 1.00 0.00 H new ATOM 0 HA TRP A 21 63.239 -6.518 7.265 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.019 -4.581 7.830 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.459 -3.907 7.092 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.314 -5.378 6.144 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.315 -6.313 3.733 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.367 -5.426 5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.266 -6.972 1.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.260 -6.202 3.101 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.716 -6.980 1.322 1.00 0.00 H new ATOM 341 N ASP A 22 65.044 -5.065 8.284 1.00 0.00 N ATOM 342 CA ASP A 22 66.128 -4.379 8.971 1.00 0.00 C ATOM 343 C ASP A 22 65.953 -2.866 8.909 1.00 0.00 C ATOM 344 O ASP A 22 66.223 -2.160 9.879 1.00 0.00 O ATOM 345 CB ASP A 22 67.465 -4.745 8.331 1.00 0.00 C ATOM 346 CG ASP A 22 67.404 -4.474 6.832 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.307 -4.443 6.303 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.456 -4.316 6.234 1.00 0.00 O ATOM 0 H ASP A 22 65.303 -5.486 7.391 1.00 0.00 H new ATOM 0 HA ASP A 22 66.110 -4.694 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 68.268 -4.163 8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.691 -5.796 8.512 1.00 0.00 H new ATOM 353 N VAL A 23 65.532 -2.369 7.746 1.00 0.00 N ATOM 354 CA VAL A 23 65.363 -0.928 7.549 1.00 0.00 C ATOM 355 C VAL A 23 64.085 -0.614 6.778 1.00 0.00 C ATOM 356 O VAL A 23 63.471 -1.499 6.180 1.00 0.00 O ATOM 357 CB VAL A 23 66.566 -0.400 6.781 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.835 -0.636 7.607 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.681 -1.159 5.458 1.00 0.00 C ATOM 0 H VAL A 23 65.303 -2.938 6.931 1.00 0.00 H new ATOM 0 HA VAL A 23 65.287 -0.448 8.524 1.00 0.00 H new ATOM 0 HB VAL A 23 66.445 0.666 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.700 -0.259 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.751 -0.113 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.958 -1.704 7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.540 -0.788 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.810 -2.223 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.775 -1.008 4.872 1.00 0.00 H new ATOM 369 N LYS A 24 63.681 0.662 6.802 1.00 0.00 N ATOM 370 CA LYS A 24 62.466 1.102 6.112 1.00 0.00 C ATOM 371 C LYS A 24 62.791 2.148 5.049 1.00 0.00 C ATOM 372 O LYS A 24 63.746 2.915 5.183 1.00 0.00 O ATOM 373 CB LYS A 24 61.491 1.697 7.129 1.00 0.00 C ATOM 374 CG LYS A 24 61.016 0.602 8.085 1.00 0.00 C ATOM 375 CD LYS A 24 60.060 1.205 9.117 1.00 0.00 C ATOM 376 CE LYS A 24 59.569 0.105 10.060 1.00 0.00 C ATOM 377 NZ LYS A 24 58.636 0.686 11.066 1.00 0.00 N ATOM 0 H LYS A 24 64.178 1.406 7.292 1.00 0.00 H new ATOM 0 HA LYS A 24 62.015 0.239 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.976 2.497 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.638 2.140 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.515 -0.190 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 24 61.870 0.147 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 24 60.566 1.986 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.213 1.673 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.065 -0.677 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.416 -0.362 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.304 -0.064 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.130 1.417 11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 57.821 1.111 10.579 1.00 0.00 H new ATOM 391 N GLU A 25 61.988 2.168 3.993 1.00 0.00 N ATOM 392 CA GLU A 25 62.184 3.118 2.900 1.00 0.00 C ATOM 393 C GLU A 25 62.450 4.522 3.440 1.00 0.00 C ATOM 394 O GLU A 25 61.809 4.961 4.395 1.00 0.00 O ATOM 395 CB GLU A 25 60.930 3.144 2.018 1.00 0.00 C ATOM 396 CG GLU A 25 61.128 4.116 0.849 1.00 0.00 C ATOM 397 CD GLU A 25 59.901 4.110 -0.055 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.901 3.530 0.336 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.974 4.697 -1.121 1.00 0.00 O ATOM 0 H GLU A 25 61.195 1.539 3.868 1.00 0.00 H new ATOM 0 HA GLU A 25 63.048 2.800 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.722 2.144 1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.066 3.446 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.304 5.122 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 25 62.011 3.833 0.277 1.00 0.00 H new ATOM 406 N GLY A 26 63.385 5.234 2.805 1.00 0.00 N ATOM 407 CA GLY A 26 63.706 6.604 3.212 1.00 0.00 C ATOM 408 C GLY A 26 64.866 6.685 4.203 1.00 0.00 C ATOM 409 O GLY A 26 65.151 7.767 4.718 1.00 0.00 O ATOM 0 H GLY A 26 63.928 4.888 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.952 7.190 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.822 7.059 3.660 1.00 0.00 H new ATOM 413 N ASP A 27 65.549 5.566 4.476 1.00 0.00 N ATOM 414 CA ASP A 27 66.677 5.590 5.418 1.00 0.00 C ATOM 415 C ASP A 27 67.870 4.801 4.874 1.00 0.00 C ATOM 416 O ASP A 27 67.711 3.889 4.062 1.00 0.00 O ATOM 417 CB ASP A 27 66.237 5.028 6.772 1.00 0.00 C ATOM 418 CG ASP A 27 66.002 3.525 6.674 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.095 2.995 5.579 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.723 2.925 7.700 1.00 0.00 O ATOM 0 H ASP A 27 65.348 4.652 4.069 1.00 0.00 H new ATOM 0 HA ASP A 27 66.994 6.625 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.999 5.235 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.324 5.525 7.099 1.00 0.00 H new ATOM 425 N MET A 28 69.069 5.188 5.315 1.00 0.00 N ATOM 426 CA MET A 28 70.310 4.549 4.867 1.00 0.00 C ATOM 427 C MET A 28 70.550 3.215 5.577 1.00 0.00 C ATOM 428 O MET A 28 70.073 2.997 6.691 1.00 0.00 O ATOM 429 CB MET A 28 71.497 5.488 5.138 1.00 0.00 C ATOM 430 CG MET A 28 71.383 6.728 4.252 1.00 0.00 C ATOM 431 SD MET A 28 72.777 7.836 4.591 1.00 0.00 S ATOM 432 CE MET A 28 74.092 6.751 3.975 1.00 0.00 C ATOM 0 H MET A 28 69.208 5.944 5.985 1.00 0.00 H new ATOM 0 HA MET A 28 70.217 4.352 3.799 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.511 5.779 6.188 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.436 4.971 4.938 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.380 6.439 3.201 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.441 7.241 4.444 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.838 7.346 3.448 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.563 6.238 4.814 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.667 6.015 3.293 1.00 0.00 H new ATOM 442 N VAL A 29 71.315 2.333 4.921 1.00 0.00 N ATOM 443 CA VAL A 29 71.657 1.016 5.480 1.00 0.00 C ATOM 444 C VAL A 29 73.148 0.755 5.285 1.00 0.00 C ATOM 445 O VAL A 29 73.758 1.282 4.357 1.00 0.00 O ATOM 446 CB VAL A 29 70.841 -0.106 4.811 1.00 0.00 C ATOM 447 CG1 VAL A 29 70.922 0.010 3.283 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.394 -1.474 5.244 1.00 0.00 C ATOM 0 H VAL A 29 71.711 2.508 3.998 1.00 0.00 H new ATOM 0 HA VAL A 29 71.415 1.021 6.543 1.00 0.00 H new ATOM 0 HB VAL A 29 69.800 -0.011 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.340 -0.790 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.522 0.974 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.962 -0.071 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 29 70.816 -2.267 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.438 -1.556 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.321 -1.570 6.327 1.00 0.00 H new ATOM 458 N GLU A 30 73.734 -0.058 6.166 1.00 0.00 N ATOM 459 CA GLU A 30 75.165 -0.379 6.088 1.00 0.00 C ATOM 460 C GLU A 30 75.373 -1.853 5.751 1.00 0.00 C ATOM 461 O GLU A 30 74.580 -2.709 6.141 1.00 0.00 O ATOM 462 CB GLU A 30 75.835 -0.056 7.423 1.00 0.00 C ATOM 463 CG GLU A 30 75.815 1.459 7.637 1.00 0.00 C ATOM 464 CD GLU A 30 76.408 1.814 8.996 1.00 0.00 C ATOM 465 OE1 GLU A 30 76.867 0.913 9.678 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.383 2.986 9.339 1.00 0.00 O ATOM 0 H GLU A 30 73.244 -0.506 6.940 1.00 0.00 H new ATOM 0 HA GLU A 30 75.613 0.222 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.313 -0.558 8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.861 -0.423 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.381 1.951 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 74.791 1.828 7.573 1.00 0.00 H new ATOM 473 N LYS A 31 76.450 -2.142 5.020 1.00 0.00 N ATOM 474 CA LYS A 31 76.758 -3.517 4.630 1.00 0.00 C ATOM 475 C LYS A 31 77.534 -4.239 5.728 1.00 0.00 C ATOM 476 O LYS A 31 78.761 -4.311 5.689 1.00 0.00 O ATOM 477 CB LYS A 31 77.593 -3.516 3.348 1.00 0.00 C ATOM 478 CG LYS A 31 77.800 -4.955 2.865 1.00 0.00 C ATOM 479 CD LYS A 31 78.606 -4.947 1.563 1.00 0.00 C ATOM 480 CE LYS A 31 78.808 -6.386 1.075 1.00 0.00 C ATOM 481 NZ LYS A 31 77.566 -6.869 0.405 1.00 0.00 N ATOM 0 H LYS A 31 77.119 -1.447 4.688 1.00 0.00 H new ATOM 0 HA LYS A 31 75.816 -4.040 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.091 -2.932 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.557 -3.041 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.324 -5.533 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 31 76.836 -5.438 2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.084 -4.365 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 31 79.572 -4.468 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.648 -6.430 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.055 -7.034 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 77.393 -7.860 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 76.760 -6.285 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 77.678 -6.799 -0.627 1.00 0.00 H new ATOM 495 N ASP A 32 76.809 -4.787 6.697 1.00 0.00 N ATOM 496 CA ASP A 32 77.448 -5.514 7.784 1.00 0.00 C ATOM 497 C ASP A 32 76.439 -6.336 8.577 1.00 0.00 C ATOM 498 O ASP A 32 75.981 -5.918 9.639 1.00 0.00 O ATOM 499 CB ASP A 32 78.176 -4.544 8.717 1.00 0.00 C ATOM 500 CG ASP A 32 77.208 -3.486 9.235 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.021 -3.629 8.998 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.672 -2.540 9.851 1.00 0.00 O ATOM 0 H ASP A 32 75.791 -4.742 6.751 1.00 0.00 H new ATOM 0 HA ASP A 32 78.170 -6.200 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.611 -5.090 9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.999 -4.066 8.186 1.00 0.00 H new ATOM 507 N GLN A 33 76.109 -7.509 8.045 1.00 0.00 N ATOM 508 CA GLN A 33 75.163 -8.415 8.692 1.00 0.00 C ATOM 509 C GLN A 33 73.781 -7.781 8.795 1.00 0.00 C ATOM 510 O GLN A 33 72.830 -8.249 8.170 1.00 0.00 O ATOM 511 CB GLN A 33 75.657 -8.799 10.091 1.00 0.00 C ATOM 512 CG GLN A 33 74.748 -9.883 10.672 1.00 0.00 C ATOM 513 CD GLN A 33 75.257 -10.304 12.046 1.00 0.00 C ATOM 514 OE1 GLN A 33 75.613 -9.457 12.866 1.00 0.00 O ATOM 515 NE2 GLN A 33 75.316 -11.573 12.348 1.00 0.00 N ATOM 0 H GLN A 33 76.485 -7.857 7.163 1.00 0.00 H new ATOM 0 HA GLN A 33 75.091 -9.313 8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.684 -9.160 10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.659 -7.924 10.741 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.727 -9.510 10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.722 -10.744 10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 33 75.021 -12.273 11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 33 75.657 -11.864 13.264 1.00 0.00 H new ATOM 524 N ASP A 34 73.672 -6.725 9.594 1.00 0.00 N ATOM 525 CA ASP A 34 72.388 -6.055 9.773 1.00 0.00 C ATOM 526 C ASP A 34 71.398 -7.028 10.408 1.00 0.00 C ATOM 527 O ASP A 34 71.799 -8.088 10.890 1.00 0.00 O ATOM 528 CB ASP A 34 71.859 -5.569 8.418 1.00 0.00 C ATOM 529 CG ASP A 34 70.800 -4.491 8.622 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.436 -4.255 9.763 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.365 -3.920 7.636 1.00 0.00 O ATOM 0 H ASP A 34 74.445 -6.319 10.121 1.00 0.00 H new ATOM 0 HA ASP A 34 72.514 -5.192 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.680 -5.174 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.434 -6.406 7.864 1.00 0.00 H new ATOM 536 N LEU A 35 70.109 -6.674 10.419 1.00 0.00 N ATOM 537 CA LEU A 35 69.088 -7.549 11.015 1.00 0.00 C ATOM 538 C LEU A 35 67.953 -7.831 10.038 1.00 0.00 C ATOM 539 O LEU A 35 66.846 -7.310 10.179 1.00 0.00 O ATOM 540 CB LEU A 35 68.521 -6.916 12.289 1.00 0.00 C ATOM 541 CG LEU A 35 69.623 -6.830 13.354 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.133 -5.952 14.511 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.980 -8.234 13.888 1.00 0.00 C ATOM 0 H LEU A 35 69.749 -5.803 10.029 1.00 0.00 H new ATOM 0 HA LEU A 35 69.571 -8.494 11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.133 -5.921 12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.686 -7.509 12.662 1.00 0.00 H new ATOM 0 HG LEU A 35 70.516 -6.395 12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.910 -5.886 15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.904 -4.954 14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.236 -6.391 14.946 1.00 0.00 H new ATOM 0 HD21 LEU A 35 70.763 -8.148 14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.096 -8.689 14.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.334 -8.857 13.066 1.00 0.00 H new ATOM 555 N VAL A 36 68.228 -8.704 9.072 1.00 0.00 N ATOM 556 CA VAL A 36 67.225 -9.119 8.089 1.00 0.00 C ATOM 557 C VAL A 36 67.055 -10.630 8.221 1.00 0.00 C ATOM 558 O VAL A 36 68.033 -11.375 8.214 1.00 0.00 O ATOM 559 CB VAL A 36 67.657 -8.714 6.653 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.184 -8.652 6.581 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.141 -9.743 5.631 1.00 0.00 C ATOM 0 H VAL A 36 69.141 -9.141 8.947 1.00 0.00 H new ATOM 0 HA VAL A 36 66.274 -8.621 8.275 1.00 0.00 H new ATOM 0 HB VAL A 36 67.234 -7.737 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.490 -8.368 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.552 -7.914 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.600 -9.630 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.451 -9.447 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.553 -10.725 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.053 -9.787 5.676 1.00 0.00 H new ATOM 571 N GLU A 37 65.809 -11.068 8.369 1.00 0.00 N ATOM 572 CA GLU A 37 65.512 -12.489 8.536 1.00 0.00 C ATOM 573 C GLU A 37 64.515 -12.967 7.491 1.00 0.00 C ATOM 574 O GLU A 37 63.442 -12.386 7.329 1.00 0.00 O ATOM 575 CB GLU A 37 64.922 -12.709 9.933 1.00 0.00 C ATOM 576 CG GLU A 37 64.621 -14.194 10.160 1.00 0.00 C ATOM 577 CD GLU A 37 64.072 -14.400 11.568 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.810 -13.410 12.232 1.00 0.00 O ATOM 579 OE2 GLU A 37 63.903 -15.544 11.955 1.00 0.00 O ATOM 0 H GLU A 37 64.989 -10.462 8.377 1.00 0.00 H new ATOM 0 HA GLU A 37 66.435 -13.056 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.621 -12.354 10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.008 -12.125 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.899 -14.545 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.528 -14.783 10.023 1.00 0.00 H new ATOM 586 N VAL A 38 64.864 -14.054 6.806 1.00 0.00 N ATOM 587 CA VAL A 38 63.989 -14.645 5.801 1.00 0.00 C ATOM 588 C VAL A 38 63.633 -16.065 6.228 1.00 0.00 C ATOM 589 O VAL A 38 64.499 -16.836 6.662 1.00 0.00 O ATOM 590 CB VAL A 38 64.668 -14.664 4.430 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.078 -13.245 4.029 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.908 -15.557 4.466 1.00 0.00 C ATOM 0 H VAL A 38 65.750 -14.543 6.931 1.00 0.00 H new ATOM 0 HA VAL A 38 63.083 -14.044 5.719 1.00 0.00 H new ATOM 0 HB VAL A 38 63.962 -15.059 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.561 -13.268 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.193 -12.610 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.773 -12.845 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.382 -15.562 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.611 -15.174 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.617 -16.573 4.733 1.00 0.00 H new ATOM 602 N MET A 39 62.342 -16.385 6.131 1.00 0.00 N ATOM 603 CA MET A 39 61.831 -17.700 6.520 1.00 0.00 C ATOM 604 C MET A 39 61.193 -18.398 5.322 1.00 0.00 C ATOM 605 O MET A 39 60.163 -17.957 4.814 1.00 0.00 O ATOM 606 CB MET A 39 60.778 -17.530 7.619 1.00 0.00 C ATOM 607 CG MET A 39 60.310 -18.905 8.102 1.00 0.00 C ATOM 608 SD MET A 39 59.118 -18.703 9.451 1.00 0.00 S ATOM 609 CE MET A 39 57.761 -17.991 8.485 1.00 0.00 C ATOM 0 H MET A 39 61.627 -15.746 5.784 1.00 0.00 H new ATOM 0 HA MET A 39 62.660 -18.306 6.885 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.196 -16.964 8.452 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.931 -16.959 7.239 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.853 -19.454 7.279 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.163 -19.492 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.814 -18.193 8.985 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.903 -16.914 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.749 -18.437 7.490 1.00 0.00 H new ATOM 619 N THR A 40 61.805 -19.490 4.877 1.00 0.00 N ATOM 620 CA THR A 40 61.269 -20.231 3.740 1.00 0.00 C ATOM 621 C THR A 40 59.887 -20.779 4.082 1.00 0.00 C ATOM 622 O THR A 40 58.920 -20.563 3.354 1.00 0.00 O ATOM 623 CB THR A 40 62.207 -21.390 3.384 1.00 0.00 C ATOM 624 OG1 THR A 40 61.882 -22.519 4.184 1.00 0.00 O ATOM 625 CG2 THR A 40 63.655 -20.975 3.646 1.00 0.00 C ATOM 0 H THR A 40 62.659 -19.877 5.278 1.00 0.00 H new ATOM 0 HA THR A 40 61.188 -19.558 2.886 1.00 0.00 H new ATOM 0 HB THR A 40 62.091 -21.644 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.479 -23.263 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 40 64.321 -21.800 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.902 -20.108 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.776 -20.721 4.699 1.00 0.00 H new ATOM 633 N ASP A 41 59.811 -21.476 5.213 1.00 0.00 N ATOM 634 CA ASP A 41 58.545 -22.051 5.686 1.00 0.00 C ATOM 635 C ASP A 41 58.523 -22.037 7.210 1.00 0.00 C ATOM 636 O ASP A 41 57.556 -21.594 7.829 1.00 0.00 O ATOM 637 CB ASP A 41 58.402 -23.488 5.179 1.00 0.00 C ATOM 638 CG ASP A 41 57.069 -24.071 5.637 1.00 0.00 C ATOM 639 OD1 ASP A 41 56.046 -23.504 5.289 1.00 0.00 O ATOM 640 OD2 ASP A 41 57.090 -25.072 6.331 1.00 0.00 O ATOM 0 H ASP A 41 60.609 -21.659 5.822 1.00 0.00 H new ATOM 0 HA ASP A 41 57.714 -21.458 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.462 -23.506 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.224 -24.098 5.554 1.00 0.00 H new ATOM 645 N LYS A 42 59.614 -22.510 7.803 1.00 0.00 N ATOM 646 CA LYS A 42 59.740 -22.538 9.262 1.00 0.00 C ATOM 647 C LYS A 42 61.207 -22.684 9.664 1.00 0.00 C ATOM 648 O LYS A 42 61.557 -23.556 10.460 1.00 0.00 O ATOM 649 CB LYS A 42 58.921 -23.696 9.861 1.00 0.00 C ATOM 650 CG LYS A 42 58.699 -23.450 11.357 1.00 0.00 C ATOM 651 CD LYS A 42 57.782 -24.537 11.921 1.00 0.00 C ATOM 652 CE LYS A 42 57.614 -24.335 13.430 1.00 0.00 C ATOM 653 NZ LYS A 42 56.905 -23.051 13.689 1.00 0.00 N ATOM 0 H LYS A 42 60.422 -22.878 7.302 1.00 0.00 H new ATOM 0 HA LYS A 42 59.352 -21.597 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 42 57.962 -23.779 9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.445 -24.640 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.654 -23.455 11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.255 -22.467 11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.810 -24.499 11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.203 -25.522 11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.051 -25.165 13.857 1.00 0.00 H new ATOM 0 HE3 LYS A 42 58.589 -24.327 13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.553 -23.040 14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.562 -22.257 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.104 -22.958 13.032 1.00 0.00 H new ATOM 667 N VAL A 43 62.060 -21.824 9.104 1.00 0.00 N ATOM 668 CA VAL A 43 63.494 -21.856 9.398 1.00 0.00 C ATOM 669 C VAL A 43 64.023 -20.442 9.626 1.00 0.00 C ATOM 670 O VAL A 43 63.408 -19.466 9.200 1.00 0.00 O ATOM 671 CB VAL A 43 64.244 -22.496 8.228 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.732 -22.610 8.565 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.673 -23.890 7.957 1.00 0.00 C ATOM 0 H VAL A 43 61.783 -21.097 8.445 1.00 0.00 H new ATOM 0 HA VAL A 43 63.652 -22.443 10.303 1.00 0.00 H new ATOM 0 HB VAL A 43 64.124 -21.874 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.261 -23.066 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.140 -21.617 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.857 -23.228 9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.207 -24.346 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.790 -24.510 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.615 -23.808 7.708 1.00 0.00 H new ATOM 683 N THR A 44 65.174 -20.345 10.290 1.00 0.00 N ATOM 684 CA THR A 44 65.800 -19.044 10.563 1.00 0.00 C ATOM 685 C THR A 44 67.066 -18.903 9.732 1.00 0.00 C ATOM 686 O THR A 44 68.027 -19.651 9.915 1.00 0.00 O ATOM 687 CB THR A 44 66.163 -18.934 12.046 1.00 0.00 C ATOM 688 OG1 THR A 44 65.044 -19.306 12.838 1.00 0.00 O ATOM 689 CG2 THR A 44 66.571 -17.499 12.388 1.00 0.00 C ATOM 0 H THR A 44 65.693 -21.146 10.649 1.00 0.00 H new ATOM 0 HA THR A 44 65.095 -18.254 10.304 1.00 0.00 H new ATOM 0 HB THR A 44 67.000 -19.601 12.253 1.00 0.00 H new ATOM 0 HG1 THR A 44 65.278 -19.237 13.787 1.00 0.00 H new ATOM 0 HG21 THR A 44 66.826 -17.436 13.446 1.00 0.00 H new ATOM 0 HG22 THR A 44 67.435 -17.214 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 44 65.742 -16.824 12.174 1.00 0.00 H new ATOM 697 N VAL A 45 67.056 -17.949 8.805 1.00 0.00 N ATOM 698 CA VAL A 45 68.212 -17.720 7.927 1.00 0.00 C ATOM 699 C VAL A 45 68.616 -16.243 7.922 1.00 0.00 C ATOM 700 O VAL A 45 67.853 -15.381 7.488 1.00 0.00 O ATOM 701 CB VAL A 45 67.848 -18.166 6.499 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.109 -18.479 5.682 1.00 0.00 C ATOM 703 CG2 VAL A 45 66.975 -19.422 6.565 1.00 0.00 C ATOM 0 H VAL A 45 66.268 -17.323 8.639 1.00 0.00 H new ATOM 0 HA VAL A 45 69.058 -18.298 8.298 1.00 0.00 H new ATOM 0 HB VAL A 45 67.308 -17.353 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.823 -18.792 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.733 -17.588 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.667 -19.280 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 45 66.716 -19.739 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.523 -20.220 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.063 -19.203 7.121 1.00 0.00 H new ATOM 713 N LYS A 46 69.834 -15.968 8.392 1.00 0.00 N ATOM 714 CA LYS A 46 70.361 -14.602 8.426 1.00 0.00 C ATOM 715 C LYS A 46 71.255 -14.366 7.210 1.00 0.00 C ATOM 716 O LYS A 46 72.051 -15.229 6.842 1.00 0.00 O ATOM 717 CB LYS A 46 71.159 -14.384 9.715 1.00 0.00 C ATOM 718 CG LYS A 46 70.197 -14.359 10.906 1.00 0.00 C ATOM 719 CD LYS A 46 70.991 -14.289 12.219 1.00 0.00 C ATOM 720 CE LYS A 46 71.527 -12.871 12.446 1.00 0.00 C ATOM 721 NZ LYS A 46 72.024 -12.757 13.846 1.00 0.00 N ATOM 0 H LYS A 46 70.475 -16.674 8.755 1.00 0.00 H new ATOM 0 HA LYS A 46 69.532 -13.895 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.892 -15.180 9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.713 -13.447 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.530 -13.500 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.570 -15.251 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.353 -14.581 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.819 -14.997 12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.331 -12.656 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.741 -12.138 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.390 -11.797 14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.244 -12.947 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.786 -13.448 14.001 1.00 0.00 H new ATOM 735 N ILE A 47 71.103 -13.202 6.572 1.00 0.00 N ATOM 736 CA ILE A 47 71.891 -12.875 5.370 1.00 0.00 C ATOM 737 C ILE A 47 72.343 -11.400 5.404 1.00 0.00 C ATOM 738 O ILE A 47 71.550 -10.535 5.778 1.00 0.00 O ATOM 739 CB ILE A 47 71.019 -13.112 4.119 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.528 -14.562 4.103 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.821 -12.845 2.842 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.584 -14.773 2.917 1.00 0.00 C ATOM 0 H ILE A 47 70.450 -12.474 6.860 1.00 0.00 H new ATOM 0 HA ILE A 47 72.775 -13.511 5.341 1.00 0.00 H new ATOM 0 HB ILE A 47 70.171 -12.428 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.376 -15.243 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.013 -14.792 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.188 -13.018 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.167 -11.811 2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.680 -13.515 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.236 -15.806 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.729 -14.103 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.113 -14.561 1.988 1.00 0.00 H new ATOM 754 N PRO A 48 73.564 -11.070 4.997 1.00 0.00 N ATOM 755 CA PRO A 48 74.022 -9.642 4.979 1.00 0.00 C ATOM 756 C PRO A 48 73.051 -8.745 4.206 1.00 0.00 C ATOM 757 O PRO A 48 72.436 -9.181 3.233 1.00 0.00 O ATOM 758 CB PRO A 48 75.396 -9.697 4.279 1.00 0.00 C ATOM 759 CG PRO A 48 75.884 -11.097 4.473 1.00 0.00 C ATOM 760 CD PRO A 48 74.641 -11.989 4.544 1.00 0.00 C ATOM 0 HA PRO A 48 74.074 -9.216 5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.307 -9.455 3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.088 -8.976 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.531 -11.399 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.472 -11.179 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.409 -12.428 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.781 -12.814 5.242 1.00 0.00 H new ATOM 768 N SER A 49 72.905 -7.498 4.661 1.00 0.00 N ATOM 769 CA SER A 49 71.992 -6.554 4.011 1.00 0.00 C ATOM 770 C SER A 49 72.191 -6.562 2.483 1.00 0.00 C ATOM 771 O SER A 49 73.022 -7.306 1.967 1.00 0.00 O ATOM 772 CB SER A 49 72.209 -5.155 4.600 1.00 0.00 C ATOM 773 OG SER A 49 70.949 -4.573 4.909 1.00 0.00 O ATOM 0 H SER A 49 73.401 -7.121 5.468 1.00 0.00 H new ATOM 0 HA SER A 49 70.962 -6.857 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 49 72.823 -5.218 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.747 -4.528 3.889 1.00 0.00 H new ATOM 0 HG SER A 49 70.899 -4.393 5.871 1.00 0.00 H new ATOM 779 N PRO A 50 71.429 -5.775 1.755 1.00 0.00 N ATOM 780 CA PRO A 50 71.508 -5.726 0.270 1.00 0.00 C ATOM 781 C PRO A 50 72.547 -4.726 -0.265 1.00 0.00 C ATOM 782 O PRO A 50 72.235 -3.928 -1.147 1.00 0.00 O ATOM 783 CB PRO A 50 70.080 -5.320 -0.116 1.00 0.00 C ATOM 784 CG PRO A 50 69.618 -4.424 0.996 1.00 0.00 C ATOM 785 CD PRO A 50 70.405 -4.835 2.257 1.00 0.00 C ATOM 0 HA PRO A 50 71.839 -6.672 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.062 -4.801 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.434 -6.193 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 50 69.801 -3.378 0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.545 -4.531 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.861 -3.971 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.757 -5.309 2.994 1.00 0.00 H new ATOM 793 N VAL A 51 73.782 -4.783 0.256 1.00 0.00 N ATOM 794 CA VAL A 51 74.852 -3.881 -0.215 1.00 0.00 C ATOM 795 C VAL A 51 74.553 -2.418 0.137 1.00 0.00 C ATOM 796 O VAL A 51 73.519 -1.873 -0.254 1.00 0.00 O ATOM 797 CB VAL A 51 75.024 -4.043 -1.738 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.344 -3.412 -2.196 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.050 -5.535 -2.082 1.00 0.00 C ATOM 0 H VAL A 51 74.065 -5.431 0.991 1.00 0.00 H new ATOM 0 HA VAL A 51 75.779 -4.154 0.290 1.00 0.00 H new ATOM 0 HB VAL A 51 74.194 -3.547 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.451 -3.534 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.344 -2.350 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.176 -3.902 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.171 -5.658 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.883 -6.013 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.114 -5.997 -1.767 1.00 0.00 H new ATOM 809 N ARG A 52 75.470 -1.790 0.885 1.00 0.00 N ATOM 810 CA ARG A 52 75.326 -0.398 1.302 1.00 0.00 C ATOM 811 C ARG A 52 74.991 0.510 0.119 1.00 0.00 C ATOM 812 O ARG A 52 75.587 0.397 -0.952 1.00 0.00 O ATOM 813 CB ARG A 52 76.645 0.059 1.940 1.00 0.00 C ATOM 814 CG ARG A 52 76.538 1.504 2.436 1.00 0.00 C ATOM 815 CD ARG A 52 77.865 1.904 3.086 1.00 0.00 C ATOM 816 NE ARG A 52 78.072 1.130 4.304 1.00 0.00 N ATOM 817 CZ ARG A 52 79.163 1.282 5.045 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.085 2.136 4.697 1.00 0.00 N ATOM 819 NH2 ARG A 52 79.324 0.560 6.121 1.00 0.00 N ATOM 0 H ARG A 52 76.327 -2.234 1.214 1.00 0.00 H new ATOM 0 HA ARG A 52 74.506 -0.330 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.898 -0.598 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.453 -0.022 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.309 2.172 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 52 75.723 1.597 3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.687 1.732 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 52 77.860 2.969 3.318 1.00 0.00 H new ATOM 0 HE ARG A 52 77.363 0.457 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 52 79.971 2.693 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 52 80.920 2.247 5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 78.612 -0.119 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 52 80.161 0.675 6.692 1.00 0.00 H new ATOM 833 N GLY A 53 74.041 1.420 0.327 1.00 0.00 N ATOM 834 CA GLY A 53 73.645 2.351 -0.722 1.00 0.00 C ATOM 835 C GLY A 53 72.468 3.214 -0.266 1.00 0.00 C ATOM 836 O GLY A 53 72.410 3.622 0.894 1.00 0.00 O ATOM 0 H GLY A 53 73.536 1.530 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.489 2.989 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.370 1.798 -1.620 1.00 0.00 H new ATOM 840 N LYS A 54 71.527 3.494 -1.178 1.00 0.00 N ATOM 841 CA LYS A 54 70.358 4.317 -0.847 1.00 0.00 C ATOM 842 C LYS A 54 69.080 3.563 -1.215 1.00 0.00 C ATOM 843 O LYS A 54 68.928 3.107 -2.348 1.00 0.00 O ATOM 844 CB LYS A 54 70.449 5.643 -1.632 1.00 0.00 C ATOM 845 CG LYS A 54 69.694 6.779 -0.919 1.00 0.00 C ATOM 846 CD LYS A 54 68.183 6.608 -1.096 1.00 0.00 C ATOM 847 CE LYS A 54 67.468 7.859 -0.579 1.00 0.00 C ATOM 848 NZ LYS A 54 67.710 7.993 0.885 1.00 0.00 N ATOM 0 H LYS A 54 71.552 3.165 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 54 70.336 4.531 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.495 5.922 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.037 5.503 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 54 69.944 6.781 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 54 70.007 7.742 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 54 67.944 6.447 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 54 67.839 5.728 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.833 8.743 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 66.399 7.789 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.059 8.701 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 67.548 7.076 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.692 8.295 1.048 1.00 0.00 H new ATOM 862 N ILE A 55 68.163 3.429 -0.254 1.00 0.00 N ATOM 863 CA ILE A 55 66.908 2.719 -0.499 1.00 0.00 C ATOM 864 C ILE A 55 65.855 3.728 -0.958 1.00 0.00 C ATOM 865 O ILE A 55 65.564 4.692 -0.250 1.00 0.00 O ATOM 866 CB ILE A 55 66.466 2.029 0.804 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.698 1.452 1.522 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.494 0.888 0.500 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.540 0.612 0.552 1.00 0.00 C ATOM 0 H ILE A 55 68.265 3.799 0.691 1.00 0.00 H new ATOM 0 HA ILE A 55 67.036 1.963 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 55 65.971 2.765 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.302 2.263 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.381 0.837 2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.191 0.410 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.615 1.285 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.983 0.155 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.408 0.211 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.938 -0.210 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.873 1.238 -0.276 1.00 0.00 H new ATOM 881 N VAL A 56 65.329 3.540 -2.175 1.00 0.00 N ATOM 882 CA VAL A 56 64.354 4.480 -2.744 1.00 0.00 C ATOM 883 C VAL A 56 62.909 3.975 -2.648 1.00 0.00 C ATOM 884 O VAL A 56 62.001 4.761 -2.379 1.00 0.00 O ATOM 885 CB VAL A 56 64.715 4.749 -4.219 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.550 5.430 -4.951 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.941 5.666 -4.287 1.00 0.00 C ATOM 0 H VAL A 56 65.560 2.752 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 56 64.405 5.398 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 56 64.928 3.793 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.828 5.610 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.672 4.785 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.322 6.380 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.196 5.856 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.717 6.610 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.783 5.185 -3.789 1.00 0.00 H new ATOM 897 N LYS A 57 62.675 2.687 -2.911 1.00 0.00 N ATOM 898 CA LYS A 57 61.304 2.161 -2.884 1.00 0.00 C ATOM 899 C LYS A 57 61.264 0.729 -2.366 1.00 0.00 C ATOM 900 O LYS A 57 62.247 -0.003 -2.457 1.00 0.00 O ATOM 901 CB LYS A 57 60.707 2.221 -4.294 1.00 0.00 C ATOM 902 CG LYS A 57 59.235 1.803 -4.265 1.00 0.00 C ATOM 903 CD LYS A 57 58.639 1.943 -5.668 1.00 0.00 C ATOM 904 CE LYS A 57 57.163 1.540 -5.632 1.00 0.00 C ATOM 905 NZ LYS A 57 56.413 2.508 -4.781 1.00 0.00 N ATOM 0 H LYS A 57 63.395 2.002 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 57 60.716 2.778 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.797 3.232 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 57 61.266 1.565 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 57 59.145 0.773 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.683 2.424 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.739 2.971 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 59.183 1.313 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.752 1.529 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 57 57.059 0.530 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.400 2.460 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.552 2.269 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.764 3.471 -4.959 1.00 0.00 H new ATOM 919 N ILE A 58 60.109 0.346 -1.818 1.00 0.00 N ATOM 920 CA ILE A 58 59.913 -0.992 -1.273 1.00 0.00 C ATOM 921 C ILE A 58 58.656 -1.626 -1.869 1.00 0.00 C ATOM 922 O ILE A 58 57.578 -1.034 -1.846 1.00 0.00 O ATOM 923 CB ILE A 58 59.775 -0.883 0.245 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.804 -2.274 0.869 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.455 -0.194 0.606 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.688 -2.155 2.394 1.00 0.00 C ATOM 0 H ILE A 58 59.292 0.951 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 58 60.766 -1.622 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 58 60.607 -0.293 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 58 58.984 -2.877 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.730 -2.784 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.367 -0.122 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.436 0.806 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.621 -0.776 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.709 -3.150 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.523 -1.568 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.750 -1.662 2.650 1.00 0.00 H new ATOM 938 N LEU A 59 58.812 -2.831 -2.413 1.00 0.00 N ATOM 939 CA LEU A 59 57.697 -3.553 -3.031 1.00 0.00 C ATOM 940 C LEU A 59 57.133 -4.615 -2.085 1.00 0.00 C ATOM 941 O LEU A 59 55.998 -5.063 -2.245 1.00 0.00 O ATOM 942 CB LEU A 59 58.187 -4.218 -4.324 1.00 0.00 C ATOM 943 CG LEU A 59 57.080 -5.074 -4.956 1.00 0.00 C ATOM 944 CD1 LEU A 59 55.821 -4.231 -5.198 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.591 -5.626 -6.293 1.00 0.00 C ATOM 0 H LEU A 59 59.701 -3.331 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 59 56.900 -2.843 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.509 -3.453 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.056 -4.841 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 59 56.825 -5.891 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.047 -4.854 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 59 55.462 -3.833 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 59 56.059 -3.407 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.815 -6.237 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.844 -4.798 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.478 -6.236 -6.120 1.00 0.00 H new ATOM 957 N TYR A 60 57.939 -5.029 -1.107 1.00 0.00 N ATOM 958 CA TYR A 60 57.524 -6.061 -0.147 1.00 0.00 C ATOM 959 C TYR A 60 57.214 -5.457 1.220 1.00 0.00 C ATOM 960 O TYR A 60 57.897 -4.544 1.684 1.00 0.00 O ATOM 961 CB TYR A 60 58.643 -7.119 -0.006 1.00 0.00 C ATOM 962 CG TYR A 60 58.517 -8.153 -1.120 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.491 -7.739 -2.463 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.410 -9.524 -0.813 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.358 -8.683 -3.487 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.282 -10.465 -1.844 1.00 0.00 C ATOM 967 CZ TYR A 60 58.254 -10.044 -3.179 1.00 0.00 C ATOM 968 OH TYR A 60 58.124 -10.973 -4.191 1.00 0.00 O ATOM 0 H TYR A 60 58.881 -4.669 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 60 56.615 -6.530 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.620 -6.638 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.574 -7.607 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.574 -6.690 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.427 -9.850 0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.336 -8.361 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.205 -11.516 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 60 58.875 -11.601 -4.157 1.00 0.00 H new ATOM 978 N ARG A 61 56.179 -5.993 1.866 1.00 0.00 N ATOM 979 CA ARG A 61 55.769 -5.530 3.190 1.00 0.00 C ATOM 980 C ARG A 61 55.797 -6.686 4.182 1.00 0.00 C ATOM 981 O ARG A 61 55.883 -7.851 3.795 1.00 0.00 O ATOM 982 CB ARG A 61 54.357 -4.945 3.135 1.00 0.00 C ATOM 983 CG ARG A 61 54.350 -3.712 2.232 1.00 0.00 C ATOM 984 CD ARG A 61 52.925 -3.169 2.125 1.00 0.00 C ATOM 985 NE ARG A 61 52.482 -2.663 3.420 1.00 0.00 N ATOM 986 CZ ARG A 61 51.240 -2.226 3.599 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.396 -2.225 2.605 1.00 0.00 N ATOM 988 NH2 ARG A 61 50.866 -1.789 4.771 1.00 0.00 N ATOM 0 H ARG A 61 55.608 -6.751 1.492 1.00 0.00 H new ATOM 0 HA ARG A 61 56.465 -4.757 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.658 -5.690 2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.024 -4.676 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.013 -2.947 2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.728 -3.970 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.886 -2.372 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.252 -3.956 1.784 1.00 0.00 H new ATOM 0 HE ARG A 61 53.137 -2.644 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.689 -2.560 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.443 -1.889 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.527 -1.783 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 61 49.913 -1.453 4.910 1.00 0.00 H new ATOM 1002 N GLU A 62 55.734 -6.348 5.462 1.00 0.00 N ATOM 1003 CA GLU A 62 55.763 -7.350 6.520 1.00 0.00 C ATOM 1004 C GLU A 62 54.693 -8.420 6.306 1.00 0.00 C ATOM 1005 O GLU A 62 53.515 -8.108 6.138 1.00 0.00 O ATOM 1006 CB GLU A 62 55.527 -6.675 7.878 1.00 0.00 C ATOM 1007 CG GLU A 62 56.684 -5.714 8.206 1.00 0.00 C ATOM 1008 CD GLU A 62 56.461 -4.356 7.543 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.499 -4.221 6.807 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.249 -3.460 7.802 1.00 0.00 O ATOM 0 H GLU A 62 55.662 -5.386 5.794 1.00 0.00 H new ATOM 0 HA GLU A 62 56.742 -7.829 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.585 -6.128 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.442 -7.432 8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.764 -5.588 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.627 -6.141 7.864 1.00 0.00 H new ATOM 1017 N GLY A 63 55.111 -9.685 6.342 1.00 0.00 N ATOM 1018 CA GLY A 63 54.167 -10.798 6.181 1.00 0.00 C ATOM 1019 C GLY A 63 53.900 -11.126 4.714 1.00 0.00 C ATOM 1020 O GLY A 63 53.041 -11.955 4.412 1.00 0.00 O ATOM 0 H GLY A 63 56.082 -9.966 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.562 -11.682 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.227 -10.547 6.672 1.00 0.00 H new ATOM 1024 N GLN A 64 54.618 -10.478 3.801 1.00 0.00 N ATOM 1025 CA GLN A 64 54.404 -10.734 2.378 1.00 0.00 C ATOM 1026 C GLN A 64 55.104 -12.020 1.950 1.00 0.00 C ATOM 1027 O GLN A 64 56.257 -12.262 2.309 1.00 0.00 O ATOM 1028 CB GLN A 64 54.927 -9.562 1.545 1.00 0.00 C ATOM 1029 CG GLN A 64 54.430 -9.690 0.102 1.00 0.00 C ATOM 1030 CD GLN A 64 52.923 -9.459 0.047 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.409 -8.576 0.733 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.185 -10.185 -0.746 1.00 0.00 N ATOM 0 H GLN A 64 55.338 -9.787 4.012 1.00 0.00 H new ATOM 0 HA GLN A 64 53.333 -10.845 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.588 -8.619 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 64 56.017 -9.548 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.941 -8.966 -0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.669 -10.680 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.613 -10.916 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.180 -10.022 -0.799 1.00 0.00 H new ATOM 1041 N VAL A 65 54.394 -12.837 1.169 1.00 0.00 N ATOM 1042 CA VAL A 65 54.935 -14.107 0.670 1.00 0.00 C ATOM 1043 C VAL A 65 54.812 -14.154 -0.851 1.00 0.00 C ATOM 1044 O VAL A 65 53.757 -13.847 -1.404 1.00 0.00 O ATOM 1045 CB VAL A 65 54.169 -15.275 1.306 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.664 -15.048 1.160 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.558 -16.590 0.622 1.00 0.00 C ATOM 0 H VAL A 65 53.440 -12.642 0.867 1.00 0.00 H new ATOM 0 HA VAL A 65 55.988 -14.189 0.939 1.00 0.00 H new ATOM 0 HB VAL A 65 54.425 -15.332 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.125 -15.880 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.386 -14.120 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.407 -14.982 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.010 -17.414 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.312 -16.535 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.629 -16.758 0.738 1.00 0.00 H new ATOM 1057 N VAL A 66 55.908 -14.517 -1.521 1.00 0.00 N ATOM 1058 CA VAL A 66 55.929 -14.576 -2.986 1.00 0.00 C ATOM 1059 C VAL A 66 56.905 -15.661 -3.475 1.00 0.00 C ATOM 1060 O VAL A 66 58.017 -15.751 -2.953 1.00 0.00 O ATOM 1061 CB VAL A 66 56.395 -13.227 -3.538 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.240 -13.211 -5.060 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.545 -12.105 -2.937 1.00 0.00 C ATOM 0 H VAL A 66 56.789 -14.774 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 66 54.924 -14.812 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 66 57.442 -13.077 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.573 -12.249 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.844 -14.007 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.193 -13.365 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.878 -11.145 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.499 -12.261 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.652 -12.109 -1.852 1.00 0.00 H new ATOM 1073 N PRO A 67 56.560 -16.458 -4.475 1.00 0.00 N ATOM 1074 CA PRO A 67 57.506 -17.491 -5.001 1.00 0.00 C ATOM 1075 C PRO A 67 58.876 -16.902 -5.350 1.00 0.00 C ATOM 1076 O PRO A 67 58.969 -15.827 -5.941 1.00 0.00 O ATOM 1077 CB PRO A 67 56.810 -18.027 -6.265 1.00 0.00 C ATOM 1078 CG PRO A 67 55.357 -17.758 -6.059 1.00 0.00 C ATOM 1079 CD PRO A 67 55.267 -16.500 -5.189 1.00 0.00 C ATOM 0 HA PRO A 67 57.708 -18.264 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.180 -17.526 -7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.998 -19.093 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.851 -17.607 -7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.871 -18.603 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.118 -15.607 -5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.430 -16.556 -4.493 1.00 0.00 H new ATOM 1087 N VAL A 68 59.938 -17.621 -4.985 1.00 0.00 N ATOM 1088 CA VAL A 68 61.298 -17.153 -5.274 1.00 0.00 C ATOM 1089 C VAL A 68 61.476 -16.898 -6.773 1.00 0.00 C ATOM 1090 O VAL A 68 61.181 -17.757 -7.604 1.00 0.00 O ATOM 1091 CB VAL A 68 62.334 -18.202 -4.807 1.00 0.00 C ATOM 1092 CG1 VAL A 68 63.725 -17.856 -5.360 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.402 -18.242 -3.267 1.00 0.00 C ATOM 0 H VAL A 68 59.888 -18.515 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 68 61.456 -16.219 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 68 62.023 -19.177 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 68 64.446 -18.602 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 63.692 -17.848 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 68 64.026 -16.872 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.136 -18.985 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.695 -17.262 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 61.424 -18.507 -2.866 1.00 0.00 H new ATOM 1103 N GLY A 69 61.985 -15.706 -7.104 1.00 0.00 N ATOM 1104 CA GLY A 69 62.231 -15.333 -8.504 1.00 0.00 C ATOM 1105 C GLY A 69 61.761 -13.910 -8.812 1.00 0.00 C ATOM 1106 O GLY A 69 61.052 -13.689 -9.796 1.00 0.00 O ATOM 0 H GLY A 69 62.234 -14.985 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.296 -15.417 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.717 -16.034 -9.161 1.00 0.00 H new ATOM 1110 N SER A 70 62.146 -12.944 -7.978 1.00 0.00 N ATOM 1111 CA SER A 70 61.743 -11.558 -8.199 1.00 0.00 C ATOM 1112 C SER A 70 62.593 -10.605 -7.363 1.00 0.00 C ATOM 1113 O SER A 70 63.286 -11.032 -6.439 1.00 0.00 O ATOM 1114 CB SER A 70 60.269 -11.379 -7.838 1.00 0.00 C ATOM 1115 OG SER A 70 60.056 -11.823 -6.505 1.00 0.00 O ATOM 0 H SER A 70 62.729 -13.093 -7.154 1.00 0.00 H new ATOM 0 HA SER A 70 61.891 -11.324 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.983 -10.332 -7.935 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.642 -11.945 -8.527 1.00 0.00 H new ATOM 0 HG SER A 70 59.345 -11.289 -6.092 1.00 0.00 H new ATOM 1121 N THR A 71 62.526 -9.311 -7.684 1.00 0.00 N ATOM 1122 CA THR A 71 63.280 -8.295 -6.942 1.00 0.00 C ATOM 1123 C THR A 71 62.354 -7.625 -5.932 1.00 0.00 C ATOM 1124 O THR A 71 61.299 -7.103 -6.296 1.00 0.00 O ATOM 1125 CB THR A 71 63.852 -7.246 -7.902 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.737 -6.395 -7.187 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.719 -6.408 -8.501 1.00 0.00 C ATOM 0 H THR A 71 61.961 -8.942 -8.449 1.00 0.00 H new ATOM 0 HA THR A 71 64.109 -8.773 -6.421 1.00 0.00 H new ATOM 0 HB THR A 71 64.387 -7.750 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.108 -5.723 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.136 -5.666 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.036 -7.058 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.178 -5.903 -7.701 1.00 0.00 H new ATOM 1135 N LEU A 72 62.725 -7.688 -4.659 1.00 0.00 N ATOM 1136 CA LEU A 72 61.891 -7.125 -3.598 1.00 0.00 C ATOM 1137 C LEU A 72 62.238 -5.667 -3.302 1.00 0.00 C ATOM 1138 O LEU A 72 61.573 -5.025 -2.488 1.00 0.00 O ATOM 1139 CB LEU A 72 62.067 -7.945 -2.317 1.00 0.00 C ATOM 1140 CG LEU A 72 61.725 -9.423 -2.581 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.797 -10.093 -3.450 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.596 -10.165 -1.244 1.00 0.00 C ATOM 0 H LEU A 72 63.591 -8.119 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 72 60.858 -7.163 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.093 -7.860 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.423 -7.550 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 72 60.778 -9.468 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.528 -11.136 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 72 62.865 -9.576 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.760 -10.044 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.354 -11.211 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 72 62.539 -10.102 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.804 -9.710 -0.650 1.00 0.00 H new ATOM 1154 N LEU A 73 63.284 -5.149 -3.937 1.00 0.00 N ATOM 1155 CA LEU A 73 63.691 -3.768 -3.686 1.00 0.00 C ATOM 1156 C LEU A 73 64.603 -3.274 -4.815 1.00 0.00 C ATOM 1157 O LEU A 73 65.450 -4.020 -5.306 1.00 0.00 O ATOM 1158 CB LEU A 73 64.426 -3.727 -2.325 1.00 0.00 C ATOM 1159 CG LEU A 73 64.266 -2.369 -1.600 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.504 -2.575 -0.096 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.290 -1.349 -2.126 1.00 0.00 C ATOM 0 H LEU A 73 63.856 -5.651 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 73 62.821 -3.112 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.043 -4.523 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.486 -3.927 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 73 63.261 -1.990 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.393 -1.623 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.777 -3.288 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.511 -2.961 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.161 -0.401 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.299 -1.724 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.137 -1.198 -3.195 1.00 0.00 H new ATOM 1173 N GLN A 74 64.452 -2.001 -5.195 1.00 0.00 N ATOM 1174 CA GLN A 74 65.293 -1.408 -6.237 1.00 0.00 C ATOM 1175 C GLN A 74 66.324 -0.508 -5.561 1.00 0.00 C ATOM 1176 O GLN A 74 65.966 0.373 -4.779 1.00 0.00 O ATOM 1177 CB GLN A 74 64.439 -0.579 -7.205 1.00 0.00 C ATOM 1178 CG GLN A 74 63.545 -1.505 -8.046 1.00 0.00 C ATOM 1179 CD GLN A 74 62.325 -1.940 -7.237 1.00 0.00 C ATOM 1180 OE1 GLN A 74 62.448 -2.739 -6.309 1.00 0.00 O ATOM 1181 NE2 GLN A 74 61.149 -1.460 -7.535 1.00 0.00 N ATOM 0 H GLN A 74 63.759 -1.366 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 74 65.788 -2.196 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.823 0.126 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.083 0.009 -7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 74 63.225 -0.989 -8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 74 64.112 -2.381 -8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 74 61.048 -0.798 -8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 74 60.330 -1.747 -6.999 1.00 0.00 H new ATOM 1190 N ILE A 75 67.611 -0.759 -5.830 1.00 0.00 N ATOM 1191 CA ILE A 75 68.689 0.012 -5.196 1.00 0.00 C ATOM 1192 C ILE A 75 69.586 0.673 -6.230 1.00 0.00 C ATOM 1193 O ILE A 75 70.109 0.024 -7.136 1.00 0.00 O ATOM 1194 CB ILE A 75 69.505 -0.931 -4.308 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.619 -1.466 -3.175 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.699 -0.202 -3.693 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.323 -2.640 -2.490 1.00 0.00 C ATOM 0 H ILE A 75 67.930 -1.482 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 75 68.250 0.809 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 75 69.868 -1.752 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.418 -0.676 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.656 -1.787 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.263 -0.892 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.343 0.176 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.344 0.631 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.695 -3.021 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.501 -3.432 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.275 -2.304 -2.079 1.00 0.00 H new ATOM 1209 N ASP A 76 69.764 1.979 -6.064 1.00 0.00 N ATOM 1210 CA ASP A 76 70.609 2.766 -6.965 1.00 0.00 C ATOM 1211 C ASP A 76 71.995 2.958 -6.355 1.00 0.00 C ATOM 1212 O ASP A 76 72.147 3.654 -5.352 1.00 0.00 O ATOM 1213 CB ASP A 76 69.972 4.133 -7.216 1.00 0.00 C ATOM 1214 CG ASP A 76 68.704 3.966 -8.048 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.541 2.910 -8.636 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.911 4.892 -8.079 1.00 0.00 O ATOM 0 H ASP A 76 69.335 2.519 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 76 70.704 2.230 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.735 4.614 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.676 4.783 -7.735 1.00 0.00 H new ATOM 1221 N THR A 77 73.000 2.329 -6.956 1.00 0.00 N ATOM 1222 CA THR A 77 74.362 2.438 -6.445 1.00 0.00 C ATOM 1223 C THR A 77 74.782 3.899 -6.333 1.00 0.00 C ATOM 1224 O THR A 77 74.246 4.709 -7.070 1.00 0.00 O ATOM 1225 CB THR A 77 75.333 1.684 -7.357 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.667 2.044 -7.025 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.057 2.036 -8.820 1.00 0.00 C ATOM 1228 OXT THR A 77 75.624 4.188 -5.498 1.00 0.00 O ATOM 0 H THR A 77 72.900 1.746 -7.787 1.00 0.00 H new ATOM 0 HA THR A 77 74.389 1.992 -5.451 1.00 0.00 H new ATOM 0 HB THR A 77 75.197 0.612 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.291 1.561 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.752 1.495 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.035 1.756 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.187 3.108 -8.967 1.00 0.00 H new