USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -22.2! C(o=-27!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot 19:sc= -4.58! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -3.25 K(o=-3.2,f=-5.1) USER MOD Single : A 19 SER OG : rot 51:sc= 1.26 USER MOD Single : A 21 GLN : amide:sc= 0.511 K(o=0.51,f=-0.9) USER MOD Single : A 26 HIS : no HE2:sc= -14! C(o=-14!,f=-17!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -92:sc= 1.82 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= -1.58 USER MOD Single : A 65 HIS : no HD1:sc= -1.9! X(o=-1.9!,f=-1.7) USER MOD Single : A 67 THR OG1 : rot -160:sc= -1.2 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 110:sc= -1.7! USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.677 9.963 -9.563 1.00 0.00 N ATOM 2 CA ALA A 8 -4.651 9.551 -10.555 1.00 0.00 C ATOM 3 C ALA A 8 -5.101 8.268 -11.243 1.00 0.00 C ATOM 4 O ALA A 8 -5.967 7.567 -10.763 1.00 0.00 O ATOM 5 CB ALA A 8 -3.324 9.317 -9.833 1.00 0.00 C ATOM 0 HA ALA A 8 -4.523 10.332 -11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.566 9.014 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.010 10.238 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.449 8.532 -9.087 1.00 0.00 H new ATOM 11 N THR A 9 -4.520 7.957 -12.365 1.00 0.00 N ATOM 12 CA THR A 9 -4.906 6.721 -13.085 1.00 0.00 C ATOM 13 C THR A 9 -4.175 5.553 -12.450 1.00 0.00 C ATOM 14 O THR A 9 -3.024 5.666 -12.060 1.00 0.00 O ATOM 15 CB THR A 9 -4.532 6.841 -14.561 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.646 6.476 -15.362 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.352 5.924 -14.882 1.00 0.00 C ATOM 0 H THR A 9 -3.791 8.510 -12.815 1.00 0.00 H new ATOM 0 HA THR A 9 -5.983 6.565 -13.018 1.00 0.00 H new ATOM 0 HB THR A 9 -4.248 7.872 -14.773 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.407 6.554 -16.309 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.095 6.018 -15.937 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.494 6.208 -14.272 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.625 4.891 -14.666 1.00 0.00 H new ATOM 25 N LEU A 10 -4.856 4.449 -12.318 1.00 0.00 N ATOM 26 CA LEU A 10 -4.256 3.252 -11.675 1.00 0.00 C ATOM 27 C LEU A 10 -3.796 2.268 -12.744 1.00 0.00 C ATOM 28 O LEU A 10 -4.588 1.519 -13.282 1.00 0.00 O ATOM 29 CB LEU A 10 -5.325 2.557 -10.819 1.00 0.00 C ATOM 30 CG LEU A 10 -5.705 3.420 -9.611 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.253 4.774 -10.068 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.779 2.696 -8.800 1.00 0.00 C ATOM 0 H LEU A 10 -5.818 4.326 -12.634 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.409 3.562 -11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.210 2.361 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.952 1.591 -10.478 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.816 3.587 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.517 5.373 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.494 5.296 -10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.139 4.619 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.055 3.303 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.657 2.531 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.392 1.736 -8.458 1.00 0.00 H new ATOM 44 N VAL A 11 -2.531 2.233 -13.056 1.00 0.00 N ATOM 45 CA VAL A 11 -2.072 1.261 -14.080 1.00 0.00 C ATOM 46 C VAL A 11 -1.163 0.228 -13.419 1.00 0.00 C ATOM 47 O VAL A 11 -0.107 0.551 -12.918 1.00 0.00 O ATOM 48 CB VAL A 11 -1.316 1.978 -15.186 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.026 0.987 -16.316 1.00 0.00 C ATOM 50 CG2 VAL A 11 -2.175 3.124 -15.726 1.00 0.00 C ATOM 0 H VAL A 11 -1.806 2.826 -12.652 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.938 0.764 -14.516 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.380 2.377 -14.795 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.483 1.494 -17.114 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.422 0.164 -15.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.965 0.596 -16.707 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.635 3.640 -16.520 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.108 2.724 -16.123 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.394 3.825 -14.921 1.00 0.00 H new ATOM 60 N GLY A 12 -1.566 -1.013 -13.412 1.00 0.00 N ATOM 61 CA GLY A 12 -0.723 -2.071 -12.784 1.00 0.00 C ATOM 62 C GLY A 12 -0.382 -3.125 -13.840 1.00 0.00 C ATOM 63 O GLY A 12 -0.916 -4.216 -13.818 1.00 0.00 O ATOM 0 H GLY A 12 -2.444 -1.341 -13.815 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.190 -1.634 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.254 -2.531 -11.950 1.00 0.00 H new ATOM 67 N PRO A 13 0.487 -2.755 -14.744 1.00 0.00 N ATOM 68 CA PRO A 13 0.917 -3.635 -15.848 1.00 0.00 C ATOM 69 C PRO A 13 1.813 -4.793 -15.381 1.00 0.00 C ATOM 70 O PRO A 13 2.598 -4.673 -14.448 1.00 0.00 O ATOM 71 CB PRO A 13 1.682 -2.695 -16.783 1.00 0.00 C ATOM 72 CG PRO A 13 2.119 -1.491 -15.921 1.00 0.00 C ATOM 73 CD PRO A 13 1.122 -1.420 -14.753 1.00 0.00 C ATOM 0 HA PRO A 13 0.067 -4.126 -16.322 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.547 -3.197 -17.217 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.051 -2.372 -17.611 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.138 -1.622 -15.556 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.104 -0.569 -16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.627 -1.211 -13.810 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.387 -0.629 -14.903 1.00 0.00 H new ATOM 81 N HIS A 14 1.681 -5.903 -16.075 1.00 0.00 N ATOM 82 CA HIS A 14 2.471 -7.146 -15.803 1.00 0.00 C ATOM 83 C HIS A 14 1.633 -8.347 -16.240 1.00 0.00 C ATOM 84 O HIS A 14 0.468 -8.215 -16.558 1.00 0.00 O ATOM 85 CB HIS A 14 2.821 -7.292 -14.320 1.00 0.00 C ATOM 86 CG HIS A 14 4.316 -7.214 -14.181 1.00 0.00 C ATOM 87 ND1 HIS A 14 5.032 -6.076 -14.519 1.00 0.00 N ATOM 88 CD2 HIS A 14 5.248 -8.130 -13.765 1.00 0.00 C ATOM 89 CE1 HIS A 14 6.333 -6.336 -14.305 1.00 0.00 C ATOM 90 NE2 HIS A 14 6.521 -7.575 -13.845 1.00 0.00 N ATOM 0 H HIS A 14 1.028 -5.998 -16.853 1.00 0.00 H new ATOM 0 HA HIS A 14 3.408 -7.089 -16.357 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.343 -6.504 -13.737 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.452 -8.242 -13.934 1.00 0.00 H new ATOM 0 HD1 HIS A 14 4.642 -5.200 -14.867 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.027 -9.131 -13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.129 -5.629 -14.483 1.00 0.00 H new ATOM 98 N GLY A 15 2.208 -9.518 -16.260 1.00 0.00 N ATOM 99 CA GLY A 15 1.430 -10.720 -16.677 1.00 0.00 C ATOM 100 C GLY A 15 0.507 -11.146 -15.533 1.00 0.00 C ATOM 101 O GLY A 15 -0.048 -10.315 -14.844 1.00 0.00 O ATOM 0 H GLY A 15 3.180 -9.695 -16.007 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.844 -10.497 -17.569 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.107 -11.534 -16.936 1.00 0.00 H new ATOM 105 N PRO A 16 0.380 -12.433 -15.355 1.00 0.00 N ATOM 106 CA PRO A 16 -0.457 -12.997 -14.289 1.00 0.00 C ATOM 107 C PRO A 16 0.271 -12.876 -12.953 1.00 0.00 C ATOM 108 O PRO A 16 1.483 -12.858 -12.900 1.00 0.00 O ATOM 109 CB PRO A 16 -0.628 -14.461 -14.700 1.00 0.00 C ATOM 110 CG PRO A 16 0.550 -14.788 -15.649 1.00 0.00 C ATOM 111 CD PRO A 16 1.062 -13.439 -16.192 1.00 0.00 C ATOM 0 HA PRO A 16 -1.415 -12.492 -14.167 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.616 -15.114 -13.827 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.584 -14.615 -15.200 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.341 -15.318 -15.118 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.224 -15.435 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.146 -13.360 -16.107 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.815 -13.314 -17.246 1.00 0.00 H new ATOM 119 N LEU A 17 -0.449 -12.784 -11.872 1.00 0.00 N ATOM 120 CA LEU A 17 0.223 -12.656 -10.553 1.00 0.00 C ATOM 121 C LEU A 17 0.140 -13.986 -9.810 1.00 0.00 C ATOM 122 O LEU A 17 -0.800 -14.251 -9.092 1.00 0.00 O ATOM 123 CB LEU A 17 -0.461 -11.563 -9.730 1.00 0.00 C ATOM 124 CG LEU A 17 -0.071 -10.190 -10.281 1.00 0.00 C ATOM 125 CD1 LEU A 17 -1.021 -9.129 -9.723 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.363 -9.859 -9.863 1.00 0.00 C ATOM 0 H LEU A 17 -1.469 -12.792 -11.845 1.00 0.00 H new ATOM 0 HA LEU A 17 1.269 -12.389 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.543 -11.688 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.167 -11.643 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.138 -10.204 -11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.744 -8.150 -10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.043 -9.363 -10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.954 -9.116 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.640 -8.881 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.431 -9.846 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.041 -10.615 -10.260 1.00 0.00 H new ATOM 138 N ALA A 18 1.121 -14.824 -9.972 1.00 0.00 N ATOM 139 CA ALA A 18 1.099 -16.129 -9.265 1.00 0.00 C ATOM 140 C ALA A 18 1.761 -15.950 -7.902 1.00 0.00 C ATOM 141 O ALA A 18 2.362 -14.930 -7.630 1.00 0.00 O ATOM 142 CB ALA A 18 1.875 -17.167 -10.078 1.00 0.00 C ATOM 0 H ALA A 18 1.936 -14.662 -10.563 1.00 0.00 H new ATOM 0 HA ALA A 18 0.071 -16.471 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.858 -18.124 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.414 -17.279 -11.059 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.907 -16.838 -10.198 1.00 0.00 H new ATOM 148 N SER A 19 1.652 -16.922 -7.039 1.00 0.00 N ATOM 149 CA SER A 19 2.278 -16.792 -5.696 1.00 0.00 C ATOM 150 C SER A 19 3.766 -16.478 -5.859 1.00 0.00 C ATOM 151 O SER A 19 4.533 -17.285 -6.345 1.00 0.00 O ATOM 152 CB SER A 19 2.119 -18.100 -4.921 1.00 0.00 C ATOM 153 OG SER A 19 3.122 -18.165 -3.919 1.00 0.00 O ATOM 0 H SER A 19 1.157 -17.798 -7.206 1.00 0.00 H new ATOM 0 HA SER A 19 1.789 -15.987 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.129 -18.152 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.205 -18.951 -5.596 1.00 0.00 H new ATOM 0 HG SER A 19 3.113 -17.338 -3.393 1.00 0.00 H new ATOM 159 N GLY A 20 4.174 -15.308 -5.461 1.00 0.00 N ATOM 160 CA GLY A 20 5.609 -14.929 -5.593 1.00 0.00 C ATOM 161 C GLY A 20 5.811 -14.170 -6.905 1.00 0.00 C ATOM 162 O GLY A 20 6.802 -14.341 -7.588 1.00 0.00 O ATOM 0 H GLY A 20 3.574 -14.594 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.912 -14.308 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.236 -15.820 -5.575 1.00 0.00 H new ATOM 166 N GLN A 21 4.872 -13.340 -7.269 1.00 0.00 N ATOM 167 CA GLN A 21 5.003 -12.578 -8.545 1.00 0.00 C ATOM 168 C GLN A 21 5.295 -11.099 -8.263 1.00 0.00 C ATOM 169 O GLN A 21 4.825 -10.529 -7.294 1.00 0.00 O ATOM 170 CB GLN A 21 3.700 -12.694 -9.337 1.00 0.00 C ATOM 171 CG GLN A 21 3.924 -12.213 -10.772 1.00 0.00 C ATOM 172 CD GLN A 21 4.637 -13.304 -11.573 1.00 0.00 C ATOM 173 OE1 GLN A 21 5.848 -13.404 -11.538 1.00 0.00 O ATOM 174 NE2 GLN A 21 3.935 -14.129 -12.298 1.00 0.00 N ATOM 0 H GLN A 21 4.020 -13.156 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 21 5.830 -12.995 -9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.356 -13.728 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.920 -12.099 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.969 -11.971 -11.238 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.519 -11.300 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.919 -14.045 -12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.402 -14.859 -12.836 1.00 0.00 H new ATOM 183 N LEU A 22 6.065 -10.477 -9.120 1.00 0.00 N ATOM 184 CA LEU A 22 6.402 -9.036 -8.944 1.00 0.00 C ATOM 185 C LEU A 22 5.666 -8.222 -10.010 1.00 0.00 C ATOM 186 O LEU A 22 6.148 -8.061 -11.110 1.00 0.00 O ATOM 187 CB LEU A 22 7.916 -8.846 -9.121 1.00 0.00 C ATOM 188 CG LEU A 22 8.360 -7.463 -8.611 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.880 -6.360 -9.565 1.00 0.00 C ATOM 190 CD2 LEU A 22 7.777 -7.214 -7.221 1.00 0.00 C ATOM 0 H LEU A 22 6.478 -10.914 -9.944 1.00 0.00 H new ATOM 0 HA LEU A 22 6.104 -8.703 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.450 -9.626 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.179 -8.951 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 22 9.449 -7.444 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.202 -5.389 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.304 -6.525 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.792 -6.382 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.094 -6.234 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.689 -7.247 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.132 -7.983 -6.534 1.00 0.00 H new ATOM 202 N ALA A 23 4.514 -7.698 -9.698 1.00 0.00 N ATOM 203 CA ALA A 23 3.778 -6.884 -10.709 1.00 0.00 C ATOM 204 C ALA A 23 4.425 -5.505 -10.775 1.00 0.00 C ATOM 205 O ALA A 23 5.079 -5.089 -9.845 1.00 0.00 O ATOM 206 CB ALA A 23 2.314 -6.730 -10.291 1.00 0.00 C ATOM 0 H ALA A 23 4.052 -7.796 -8.794 1.00 0.00 H new ATOM 0 HA ALA A 23 3.820 -7.376 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.784 -6.135 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.851 -7.714 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.262 -6.231 -9.323 1.00 0.00 H new ATOM 212 N ALA A 24 4.251 -4.777 -11.840 1.00 0.00 N ATOM 213 CA ALA A 24 4.873 -3.427 -11.888 1.00 0.00 C ATOM 214 C ALA A 24 3.762 -2.408 -12.106 1.00 0.00 C ATOM 215 O ALA A 24 3.034 -2.476 -13.067 1.00 0.00 O ATOM 216 CB ALA A 24 5.909 -3.375 -13.009 1.00 0.00 C ATOM 0 H ALA A 24 3.716 -5.050 -12.664 1.00 0.00 H new ATOM 0 HA ALA A 24 5.391 -3.201 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.362 -2.384 -13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.682 -4.121 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.424 -3.582 -13.963 1.00 0.00 H new ATOM 222 N PHE A 25 3.596 -1.504 -11.185 1.00 0.00 N ATOM 223 CA PHE A 25 2.490 -0.512 -11.289 1.00 0.00 C ATOM 224 C PHE A 25 3.013 0.878 -11.673 1.00 0.00 C ATOM 225 O PHE A 25 4.195 1.152 -11.638 1.00 0.00 O ATOM 226 CB PHE A 25 1.822 -0.380 -9.917 1.00 0.00 C ATOM 227 CG PHE A 25 1.104 -1.650 -9.510 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.790 -2.874 -9.413 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.257 -1.589 -9.193 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.106 -4.022 -9.001 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.937 -2.741 -8.786 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.255 -3.957 -8.689 1.00 0.00 C ATOM 0 H PHE A 25 4.184 -1.408 -10.357 1.00 0.00 H new ATOM 0 HA PHE A 25 1.797 -0.861 -12.055 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.576 -0.134 -9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.112 0.447 -9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.841 -2.927 -9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.784 -0.649 -9.263 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.631 -4.962 -8.924 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.989 -2.691 -8.547 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.780 -4.847 -8.373 1.00 0.00 H new ATOM 242 N HIS A 26 2.106 1.770 -11.980 1.00 0.00 N ATOM 243 CA HIS A 26 2.474 3.174 -12.306 1.00 0.00 C ATOM 244 C HIS A 26 1.197 4.023 -12.234 1.00 0.00 C ATOM 245 O HIS A 26 0.110 3.566 -12.553 1.00 0.00 O ATOM 246 CB HIS A 26 3.165 3.276 -13.682 1.00 0.00 C ATOM 247 CG HIS A 26 2.175 3.320 -14.815 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.265 4.355 -14.982 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.977 2.475 -15.878 1.00 0.00 C ATOM 250 CE1 HIS A 26 0.570 4.103 -16.104 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.967 2.972 -16.690 1.00 0.00 N ATOM 0 H HIS A 26 1.105 1.576 -12.018 1.00 0.00 H new ATOM 0 HA HIS A 26 3.201 3.548 -11.585 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.785 4.172 -13.709 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.830 2.423 -13.816 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.146 5.159 -14.366 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.524 1.561 -16.056 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.215 4.739 -16.485 1.00 0.00 H new ATOM 259 N ILE A 27 1.313 5.237 -11.769 1.00 0.00 N ATOM 260 CA ILE A 27 0.111 6.110 -11.621 1.00 0.00 C ATOM 261 C ILE A 27 0.145 7.227 -12.663 1.00 0.00 C ATOM 262 O ILE A 27 1.196 7.608 -13.135 1.00 0.00 O ATOM 263 CB ILE A 27 0.125 6.716 -10.216 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.640 5.678 -9.230 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.287 7.112 -9.804 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.269 4.454 -9.292 1.00 0.00 C ATOM 0 H ILE A 27 2.194 5.665 -11.483 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.795 5.523 -11.769 1.00 0.00 H new ATOM 0 HB ILE A 27 0.768 7.596 -10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.665 5.400 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.653 6.089 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.267 7.542 -8.803 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.678 7.847 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.928 6.230 -9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.087 3.700 -8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.287 4.743 -9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.258 4.044 -10.302 1.00 0.00 H new ATOM 278 N ALA A 28 -0.994 7.753 -13.039 1.00 0.00 N ATOM 279 CA ALA A 28 -0.985 8.841 -14.069 1.00 0.00 C ATOM 280 C ALA A 28 -1.941 9.982 -13.695 1.00 0.00 C ATOM 281 O ALA A 28 -3.142 9.822 -13.703 1.00 0.00 O ATOM 282 CB ALA A 28 -1.426 8.265 -15.409 1.00 0.00 C ATOM 0 H ALA A 28 -1.913 7.484 -12.687 1.00 0.00 H new ATOM 0 HA ALA A 28 0.028 9.239 -14.126 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.421 9.052 -16.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.740 7.473 -15.708 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.433 7.857 -15.316 1.00 0.00 H new ATOM 288 N ALA A 29 -1.421 11.144 -13.409 1.00 0.00 N ATOM 289 CA ALA A 29 -2.308 12.299 -13.074 1.00 0.00 C ATOM 290 C ALA A 29 -1.459 13.548 -12.819 1.00 0.00 C ATOM 291 O ALA A 29 -1.585 14.527 -13.527 1.00 0.00 O ATOM 292 CB ALA A 29 -3.147 11.987 -11.835 1.00 0.00 C ATOM 0 H ALA A 29 -0.421 11.346 -13.392 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.977 12.480 -13.915 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.787 12.839 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.765 11.110 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.488 11.790 -10.989 1.00 0.00 H new ATOM 298 N PRO A 30 -0.614 13.482 -11.817 1.00 0.00 N ATOM 299 CA PRO A 30 0.269 14.605 -11.462 1.00 0.00 C ATOM 300 C PRO A 30 1.482 14.627 -12.393 1.00 0.00 C ATOM 301 O PRO A 30 2.592 14.454 -11.954 1.00 0.00 O ATOM 302 CB PRO A 30 0.692 14.281 -10.027 1.00 0.00 C ATOM 303 CG PRO A 30 0.506 12.757 -9.844 1.00 0.00 C ATOM 304 CD PRO A 30 -0.459 12.295 -10.948 1.00 0.00 C ATOM 0 HA PRO A 30 -0.208 15.581 -11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.729 14.568 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.085 14.834 -9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.461 12.238 -9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.102 12.532 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.055 11.447 -11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.416 11.978 -10.533 1.00 0.00 H new ATOM 312 N LEU A 31 1.251 14.826 -13.674 1.00 0.00 N ATOM 313 CA LEU A 31 2.349 14.852 -14.705 1.00 0.00 C ATOM 314 C LEU A 31 3.755 14.943 -14.082 1.00 0.00 C ATOM 315 O LEU A 31 4.539 14.026 -14.231 1.00 0.00 O ATOM 316 CB LEU A 31 2.123 16.024 -15.659 1.00 0.00 C ATOM 317 CG LEU A 31 1.591 15.495 -16.990 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.142 15.946 -17.180 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.449 16.042 -18.133 1.00 0.00 C ATOM 0 H LEU A 31 0.319 14.976 -14.060 1.00 0.00 H new ATOM 0 HA LEU A 31 2.307 13.907 -15.247 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.414 16.730 -15.225 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.056 16.565 -15.816 1.00 0.00 H new ATOM 0 HG LEU A 31 1.633 14.406 -16.990 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.235 15.568 -18.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.470 15.557 -16.366 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.097 17.035 -17.180 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.071 15.666 -19.084 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.406 17.131 -18.131 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.482 15.719 -18.000 1.00 0.00 H new ATOM 331 N PRO A 32 4.046 16.032 -13.407 1.00 0.00 N ATOM 332 CA PRO A 32 5.364 16.224 -12.772 1.00 0.00 C ATOM 333 C PRO A 32 5.469 15.414 -11.468 1.00 0.00 C ATOM 334 O PRO A 32 5.469 15.968 -10.387 1.00 0.00 O ATOM 335 CB PRO A 32 5.408 17.728 -12.488 1.00 0.00 C ATOM 336 CG PRO A 32 3.938 18.210 -12.445 1.00 0.00 C ATOM 337 CD PRO A 32 3.110 17.163 -13.213 1.00 0.00 C ATOM 0 HA PRO A 32 6.190 15.886 -13.397 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.910 17.930 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.966 18.253 -13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.590 18.301 -11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.839 19.194 -12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.229 16.859 -12.647 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.757 17.556 -14.166 1.00 0.00 H new ATOM 345 N VAL A 33 5.567 14.109 -11.555 1.00 0.00 N ATOM 346 CA VAL A 33 5.677 13.286 -10.311 1.00 0.00 C ATOM 347 C VAL A 33 7.142 12.971 -10.024 1.00 0.00 C ATOM 348 O VAL A 33 7.888 12.579 -10.900 1.00 0.00 O ATOM 349 CB VAL A 33 4.931 11.956 -10.469 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.671 11.357 -9.085 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.599 12.180 -11.171 1.00 0.00 C ATOM 0 H VAL A 33 5.576 13.582 -12.428 1.00 0.00 H new ATOM 0 HA VAL A 33 5.239 13.859 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 33 5.540 11.276 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.141 10.411 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.621 11.185 -8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.066 12.048 -8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.079 11.228 -11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.988 12.864 -10.582 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.775 12.609 -12.157 1.00 0.00 H new ATOM 361 N THR A 34 7.552 13.111 -8.795 1.00 0.00 N ATOM 362 CA THR A 34 8.961 12.792 -8.438 1.00 0.00 C ATOM 363 C THR A 34 8.990 11.547 -7.549 1.00 0.00 C ATOM 364 O THR A 34 10.018 10.922 -7.378 1.00 0.00 O ATOM 365 CB THR A 34 9.593 13.977 -7.701 1.00 0.00 C ATOM 366 OG1 THR A 34 10.921 13.643 -7.320 1.00 0.00 O ATOM 367 CG2 THR A 34 8.772 14.311 -6.454 1.00 0.00 C ATOM 0 H THR A 34 6.971 13.433 -8.021 1.00 0.00 H new ATOM 0 HA THR A 34 9.531 12.599 -9.347 1.00 0.00 H new ATOM 0 HB THR A 34 9.609 14.844 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.327 14.401 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.227 15.154 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.755 14.571 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.749 13.446 -5.791 1.00 0.00 H new ATOM 375 N ALA A 35 7.871 11.183 -6.983 1.00 0.00 N ATOM 376 CA ALA A 35 7.830 9.985 -6.109 1.00 0.00 C ATOM 377 C ALA A 35 6.404 9.763 -5.599 1.00 0.00 C ATOM 378 O ALA A 35 5.646 10.696 -5.414 1.00 0.00 O ATOM 379 CB ALA A 35 8.749 10.223 -4.922 1.00 0.00 C ATOM 0 H ALA A 35 6.981 11.669 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 35 8.151 9.108 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.731 9.351 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.766 10.390 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.410 11.099 -4.369 1.00 0.00 H new ATOM 385 N THR A 36 6.044 8.534 -5.342 1.00 0.00 N ATOM 386 CA THR A 36 4.681 8.252 -4.808 1.00 0.00 C ATOM 387 C THR A 36 4.798 7.200 -3.708 1.00 0.00 C ATOM 388 O THR A 36 5.521 6.233 -3.837 1.00 0.00 O ATOM 389 CB THR A 36 3.748 7.721 -5.905 1.00 0.00 C ATOM 390 OG1 THR A 36 2.988 6.636 -5.393 1.00 0.00 O ATOM 391 CG2 THR A 36 4.548 7.252 -7.114 1.00 0.00 C ATOM 0 H THR A 36 6.635 7.714 -5.479 1.00 0.00 H new ATOM 0 HA THR A 36 4.261 9.180 -4.421 1.00 0.00 H new ATOM 0 HB THR A 36 3.084 8.527 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.454 5.794 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.867 6.880 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.123 8.086 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.227 6.454 -6.814 1.00 0.00 H new ATOM 399 N ARG A 37 4.091 7.374 -2.629 1.00 0.00 N ATOM 400 CA ARG A 37 4.160 6.377 -1.534 1.00 0.00 C ATOM 401 C ARG A 37 3.096 5.310 -1.776 1.00 0.00 C ATOM 402 O ARG A 37 1.928 5.526 -1.555 1.00 0.00 O ATOM 403 CB ARG A 37 3.908 7.065 -0.194 1.00 0.00 C ATOM 404 CG ARG A 37 5.233 7.216 0.554 1.00 0.00 C ATOM 405 CD ARG A 37 5.530 8.700 0.767 1.00 0.00 C ATOM 406 NE ARG A 37 4.653 9.230 1.847 1.00 0.00 N ATOM 407 CZ ARG A 37 5.139 9.435 3.040 1.00 0.00 C ATOM 408 NH1 ARG A 37 6.265 10.078 3.184 1.00 0.00 N ATOM 409 NH2 ARG A 37 4.499 8.997 4.090 1.00 0.00 N ATOM 0 H ARG A 37 3.469 8.164 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 37 5.148 5.916 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.454 8.043 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.206 6.481 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.182 6.703 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.039 6.750 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.578 8.838 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.361 9.252 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 37 3.672 9.433 1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.765 10.420 2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.645 10.238 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.619 8.494 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.879 9.157 5.023 1.00 0.00 H new ATOM 423 N TRP A 38 3.488 4.155 -2.226 1.00 0.00 N ATOM 424 CA TRP A 38 2.477 3.092 -2.483 1.00 0.00 C ATOM 425 C TRP A 38 2.245 2.297 -1.211 1.00 0.00 C ATOM 426 O TRP A 38 2.868 2.522 -0.192 1.00 0.00 O ATOM 427 CB TRP A 38 2.974 2.117 -3.550 1.00 0.00 C ATOM 428 CG TRP A 38 3.237 2.816 -4.836 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.164 3.778 -5.031 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.596 2.599 -6.118 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.140 4.157 -6.359 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.187 3.460 -7.069 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.567 1.743 -6.543 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.778 3.468 -8.397 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.150 1.751 -7.879 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.755 2.612 -8.805 1.00 0.00 C ATOM 0 H TRP A 38 4.455 3.900 -2.426 1.00 0.00 H new ATOM 0 HA TRP A 38 1.560 3.575 -2.820 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.886 1.630 -3.205 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.232 1.333 -3.704 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.817 4.184 -4.273 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.752 4.865 -6.764 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.096 1.076 -5.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.248 4.132 -9.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.358 1.090 -8.198 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.429 2.613 -9.835 1.00 0.00 H new ATOM 447 N ASP A 39 1.367 1.351 -1.281 1.00 0.00 N ATOM 448 CA ASP A 39 1.093 0.494 -0.107 1.00 0.00 C ATOM 449 C ASP A 39 0.677 -0.868 -0.640 1.00 0.00 C ATOM 450 O ASP A 39 -0.430 -1.047 -1.107 1.00 0.00 O ATOM 451 CB ASP A 39 -0.028 1.098 0.737 1.00 0.00 C ATOM 452 CG ASP A 39 0.579 1.872 1.906 1.00 0.00 C ATOM 453 OD1 ASP A 39 1.019 1.234 2.849 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.599 3.090 1.838 1.00 0.00 O ATOM 0 H ASP A 39 0.819 1.131 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 39 1.975 0.409 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.641 1.761 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.683 0.310 1.109 1.00 0.00 H new ATOM 459 N PHE A 40 1.560 -1.823 -0.614 1.00 0.00 N ATOM 460 CA PHE A 40 1.190 -3.154 -1.169 1.00 0.00 C ATOM 461 C PHE A 40 0.376 -3.937 -0.145 1.00 0.00 C ATOM 462 O PHE A 40 -0.738 -4.343 -0.406 1.00 0.00 O ATOM 463 CB PHE A 40 2.435 -3.966 -1.539 1.00 0.00 C ATOM 464 CG PHE A 40 3.462 -3.129 -2.272 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.096 -1.937 -2.911 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.790 -3.574 -2.331 1.00 0.00 C ATOM 467 CE1 PHE A 40 4.058 -1.193 -3.604 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.748 -2.826 -3.017 1.00 0.00 C ATOM 469 CZ PHE A 40 5.383 -1.638 -3.654 1.00 0.00 C ATOM 0 H PHE A 40 2.506 -1.745 -0.240 1.00 0.00 H new ATOM 0 HA PHE A 40 0.599 -2.986 -2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.882 -4.377 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.144 -4.811 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.073 -1.593 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.072 -4.496 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.777 -0.276 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.772 -3.166 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.125 -1.062 -4.186 1.00 0.00 H new ATOM 479 N GLY A 41 0.926 -4.170 1.011 1.00 0.00 N ATOM 480 CA GLY A 41 0.180 -4.948 2.037 1.00 0.00 C ATOM 481 C GLY A 41 0.491 -6.438 1.867 1.00 0.00 C ATOM 482 O GLY A 41 -0.189 -7.288 2.406 1.00 0.00 O ATOM 0 H GLY A 41 1.856 -3.857 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.462 -4.618 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.891 -4.774 1.934 1.00 0.00 H new ATOM 486 N ASP A 42 1.529 -6.761 1.141 1.00 0.00 N ATOM 487 CA ASP A 42 1.905 -8.182 0.958 1.00 0.00 C ATOM 488 C ASP A 42 3.126 -8.430 1.840 1.00 0.00 C ATOM 489 O ASP A 42 3.027 -8.466 3.050 1.00 0.00 O ATOM 490 CB ASP A 42 2.224 -8.460 -0.524 1.00 0.00 C ATOM 491 CG ASP A 42 2.940 -7.260 -1.173 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.681 -6.576 -0.484 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.748 -7.055 -2.358 1.00 0.00 O ATOM 0 H ASP A 42 2.134 -6.091 0.666 1.00 0.00 H new ATOM 0 HA ASP A 42 1.090 -8.849 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.851 -9.348 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.301 -8.672 -1.064 1.00 0.00 H new ATOM 498 N GLY A 43 4.281 -8.542 1.263 1.00 0.00 N ATOM 499 CA GLY A 43 5.496 -8.717 2.089 1.00 0.00 C ATOM 500 C GLY A 43 5.955 -7.331 2.555 1.00 0.00 C ATOM 501 O GLY A 43 6.721 -7.199 3.488 1.00 0.00 O ATOM 0 H GLY A 43 4.436 -8.520 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.285 -9.357 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.282 -9.205 1.512 1.00 0.00 H new ATOM 505 N SER A 44 5.480 -6.293 1.908 1.00 0.00 N ATOM 506 CA SER A 44 5.868 -4.911 2.302 1.00 0.00 C ATOM 507 C SER A 44 4.618 -4.024 2.311 1.00 0.00 C ATOM 508 O SER A 44 3.896 -3.937 1.336 1.00 0.00 O ATOM 509 CB SER A 44 6.877 -4.360 1.294 1.00 0.00 C ATOM 510 OG SER A 44 7.743 -5.407 0.877 1.00 0.00 O ATOM 0 H SER A 44 4.836 -6.350 1.119 1.00 0.00 H new ATOM 0 HA SER A 44 6.318 -4.922 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.356 -3.939 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.454 -3.552 1.744 1.00 0.00 H new ATOM 0 HG SER A 44 8.390 -5.058 0.229 1.00 0.00 H new ATOM 516 N ALA A 45 4.352 -3.367 3.406 1.00 0.00 N ATOM 517 CA ALA A 45 3.148 -2.491 3.471 1.00 0.00 C ATOM 518 C ALA A 45 3.451 -1.143 2.817 1.00 0.00 C ATOM 519 O ALA A 45 3.162 -0.926 1.653 1.00 0.00 O ATOM 520 CB ALA A 45 2.747 -2.282 4.933 1.00 0.00 C ATOM 0 H ALA A 45 4.914 -3.398 4.256 1.00 0.00 H new ATOM 0 HA ALA A 45 2.326 -2.967 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.866 -1.641 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.520 -3.245 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.569 -1.810 5.472 1.00 0.00 H new ATOM 526 N GLU A 46 4.027 -0.246 3.569 1.00 0.00 N ATOM 527 CA GLU A 46 4.365 1.111 3.040 1.00 0.00 C ATOM 528 C GLU A 46 5.295 0.988 1.835 1.00 0.00 C ATOM 529 O GLU A 46 6.065 0.054 1.725 1.00 0.00 O ATOM 530 CB GLU A 46 5.066 1.920 4.132 1.00 0.00 C ATOM 531 CG GLU A 46 4.094 2.179 5.285 1.00 0.00 C ATOM 532 CD GLU A 46 4.700 3.212 6.236 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.446 2.814 7.114 1.00 0.00 O ATOM 534 OE2 GLU A 46 4.409 4.385 6.067 1.00 0.00 O ATOM 0 H GLU A 46 4.283 -0.397 4.545 1.00 0.00 H new ATOM 0 HA GLU A 46 3.446 1.612 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.940 1.379 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.423 2.866 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.141 2.539 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.891 1.251 5.820 1.00 0.00 H new ATOM 541 N VAL A 47 5.217 1.915 0.916 1.00 0.00 N ATOM 542 CA VAL A 47 6.080 1.834 -0.293 1.00 0.00 C ATOM 543 C VAL A 47 6.618 3.210 -0.683 1.00 0.00 C ATOM 544 O VAL A 47 5.872 4.148 -0.856 1.00 0.00 O ATOM 545 CB VAL A 47 5.250 1.315 -1.457 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.164 1.027 -2.642 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.531 0.035 -1.049 1.00 0.00 C ATOM 0 H VAL A 47 4.594 2.722 0.953 1.00 0.00 H new ATOM 0 HA VAL A 47 6.916 1.171 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 47 4.513 2.068 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.571 0.655 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.674 1.943 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.902 0.277 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.938 -0.332 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.264 -0.720 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.875 0.240 -0.203 1.00 0.00 H new ATOM 557 N ASP A 48 7.904 3.315 -0.875 1.00 0.00 N ATOM 558 CA ASP A 48 8.497 4.611 -1.309 1.00 0.00 C ATOM 559 C ASP A 48 8.926 4.456 -2.770 1.00 0.00 C ATOM 560 O ASP A 48 10.017 4.006 -3.061 1.00 0.00 O ATOM 561 CB ASP A 48 9.714 4.942 -0.443 1.00 0.00 C ATOM 562 CG ASP A 48 9.291 5.872 0.695 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.635 6.861 0.413 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.632 5.580 1.830 1.00 0.00 O ATOM 0 H ASP A 48 8.573 2.555 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 48 7.772 5.418 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.145 4.027 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.486 5.418 -1.048 1.00 0.00 H new ATOM 569 N ALA A 49 8.060 4.784 -3.689 1.00 0.00 N ATOM 570 CA ALA A 49 8.398 4.610 -5.132 1.00 0.00 C ATOM 571 C ALA A 49 8.892 5.917 -5.754 1.00 0.00 C ATOM 572 O ALA A 49 8.578 6.999 -5.298 1.00 0.00 O ATOM 573 CB ALA A 49 7.149 4.149 -5.874 1.00 0.00 C ATOM 0 H ALA A 49 7.132 5.165 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 49 9.196 3.872 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.381 4.018 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.807 3.202 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.364 4.898 -5.765 1.00 0.00 H new ATOM 579 N ALA A 50 9.658 5.810 -6.810 1.00 0.00 N ATOM 580 CA ALA A 50 10.181 7.024 -7.495 1.00 0.00 C ATOM 581 C ALA A 50 9.224 7.427 -8.622 1.00 0.00 C ATOM 582 O ALA A 50 8.530 6.593 -9.198 1.00 0.00 O ATOM 583 CB ALA A 50 11.562 6.727 -8.081 1.00 0.00 C ATOM 0 H ALA A 50 9.944 4.925 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 50 10.260 7.839 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.944 7.617 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.244 6.441 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.485 5.911 -8.799 1.00 0.00 H new ATOM 589 N GLY A 51 9.170 8.702 -8.933 1.00 0.00 N ATOM 590 CA GLY A 51 8.251 9.176 -10.004 1.00 0.00 C ATOM 591 C GLY A 51 6.882 8.559 -9.756 1.00 0.00 C ATOM 592 O GLY A 51 6.594 8.133 -8.660 1.00 0.00 O ATOM 0 H GLY A 51 9.726 9.432 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.186 10.264 -9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.628 8.886 -10.985 1.00 0.00 H new ATOM 596 N PRO A 52 6.082 8.507 -10.776 1.00 0.00 N ATOM 597 CA PRO A 52 4.751 7.906 -10.688 1.00 0.00 C ATOM 598 C PRO A 52 4.837 6.396 -10.963 1.00 0.00 C ATOM 599 O PRO A 52 4.008 5.856 -11.664 1.00 0.00 O ATOM 600 CB PRO A 52 3.984 8.599 -11.816 1.00 0.00 C ATOM 601 CG PRO A 52 5.046 9.095 -12.830 1.00 0.00 C ATOM 602 CD PRO A 52 6.407 9.065 -12.100 1.00 0.00 C ATOM 0 HA PRO A 52 4.286 8.025 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.286 7.910 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.396 9.432 -11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.066 8.456 -13.713 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.813 10.103 -13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.131 8.445 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.840 10.062 -12.019 1.00 0.00 H new ATOM 610 N ALA A 53 5.832 5.696 -10.455 1.00 0.00 N ATOM 611 CA ALA A 53 5.896 4.234 -10.772 1.00 0.00 C ATOM 612 C ALA A 53 6.402 3.408 -9.584 1.00 0.00 C ATOM 613 O ALA A 53 7.183 3.863 -8.776 1.00 0.00 O ATOM 614 CB ALA A 53 6.828 4.019 -11.965 1.00 0.00 C ATOM 0 H ALA A 53 6.574 6.060 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 53 4.885 3.899 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.878 2.956 -12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.446 4.564 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.825 4.384 -11.718 1.00 0.00 H new ATOM 620 N ALA A 54 5.957 2.176 -9.504 1.00 0.00 N ATOM 621 CA ALA A 54 6.388 1.257 -8.407 1.00 0.00 C ATOM 622 C ALA A 54 6.121 -0.184 -8.851 1.00 0.00 C ATOM 623 O ALA A 54 5.827 -0.440 -10.000 1.00 0.00 O ATOM 624 CB ALA A 54 5.589 1.547 -7.133 1.00 0.00 C ATOM 0 H ALA A 54 5.301 1.763 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 54 7.448 1.404 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.911 0.872 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.760 2.578 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.527 1.398 -7.328 1.00 0.00 H new ATOM 630 N SER A 55 6.210 -1.122 -7.952 1.00 0.00 N ATOM 631 CA SER A 55 5.949 -2.543 -8.326 1.00 0.00 C ATOM 632 C SER A 55 5.451 -3.300 -7.096 1.00 0.00 C ATOM 633 O SER A 55 5.725 -2.920 -5.982 1.00 0.00 O ATOM 634 CB SER A 55 7.231 -3.182 -8.845 1.00 0.00 C ATOM 635 OG SER A 55 8.349 -2.441 -8.376 1.00 0.00 O ATOM 0 H SER A 55 6.452 -0.968 -6.973 1.00 0.00 H new ATOM 0 HA SER A 55 5.192 -2.584 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.298 -4.216 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.225 -3.203 -9.935 1.00 0.00 H new ATOM 0 HG SER A 55 9.175 -2.851 -8.707 1.00 0.00 H new ATOM 641 N HIS A 56 4.705 -4.355 -7.283 1.00 0.00 N ATOM 642 CA HIS A 56 4.174 -5.103 -6.106 1.00 0.00 C ATOM 643 C HIS A 56 4.779 -6.500 -6.015 1.00 0.00 C ATOM 644 O HIS A 56 4.835 -7.234 -6.980 1.00 0.00 O ATOM 645 CB HIS A 56 2.664 -5.235 -6.243 1.00 0.00 C ATOM 646 CG HIS A 56 2.009 -4.052 -5.603 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.097 -2.775 -6.134 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.252 -3.936 -4.473 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.404 -1.956 -5.324 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.867 -2.616 -4.299 1.00 0.00 N ATOM 0 H HIS A 56 4.441 -4.730 -8.194 1.00 0.00 H new ATOM 0 HA HIS A 56 4.438 -4.551 -5.204 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.386 -5.295 -7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.323 -6.156 -5.770 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.595 -2.506 -6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.992 -4.751 -3.813 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.296 -0.893 -5.485 1.00 0.00 H new ATOM 658 N ARG A 57 5.202 -6.879 -4.841 1.00 0.00 N ATOM 659 CA ARG A 57 5.782 -8.237 -4.648 1.00 0.00 C ATOM 660 C ARG A 57 4.749 -9.107 -3.930 1.00 0.00 C ATOM 661 O ARG A 57 4.729 -9.202 -2.719 1.00 0.00 O ATOM 662 CB ARG A 57 7.067 -8.143 -3.811 1.00 0.00 C ATOM 663 CG ARG A 57 6.830 -7.277 -2.567 1.00 0.00 C ATOM 664 CD ARG A 57 7.730 -6.036 -2.612 1.00 0.00 C ATOM 665 NE ARG A 57 7.613 -5.369 -3.943 1.00 0.00 N ATOM 666 CZ ARG A 57 8.678 -5.153 -4.669 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.681 -5.991 -4.637 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.739 -4.097 -5.435 1.00 0.00 N ATOM 0 H ARG A 57 5.170 -6.301 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 57 6.031 -8.678 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.388 -9.141 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.870 -7.716 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.784 -6.976 -2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.038 -7.855 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.446 -5.341 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.766 -6.321 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 57 6.697 -5.081 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.635 -6.819 -4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.509 -5.817 -5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.957 -3.443 -5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.569 -3.926 -6.003 1.00 0.00 H new ATOM 682 N TYR A 58 3.876 -9.733 -4.672 1.00 0.00 N ATOM 683 CA TYR A 58 2.828 -10.580 -4.039 1.00 0.00 C ATOM 684 C TYR A 58 3.347 -12.006 -3.879 1.00 0.00 C ATOM 685 O TYR A 58 3.801 -12.617 -4.821 1.00 0.00 O ATOM 686 CB TYR A 58 1.578 -10.551 -4.921 1.00 0.00 C ATOM 687 CG TYR A 58 0.933 -9.211 -4.765 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.590 -8.775 -3.489 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.673 -8.410 -5.879 1.00 0.00 C ATOM 690 CE1 TYR A 58 -0.019 -7.538 -3.316 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.064 -7.166 -5.706 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.283 -6.734 -4.418 1.00 0.00 C ATOM 693 OH TYR A 58 -0.900 -5.522 -4.235 1.00 0.00 O ATOM 0 H TYR A 58 3.844 -9.694 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 58 2.577 -10.198 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.843 -10.727 -5.963 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.888 -11.342 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.797 -9.399 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.941 -8.751 -6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.287 -7.202 -2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.139 -6.538 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.810 -5.247 -3.299 1.00 0.00 H new ATOM 703 N VAL A 59 3.307 -12.530 -2.682 1.00 0.00 N ATOM 704 CA VAL A 59 3.828 -13.909 -2.456 1.00 0.00 C ATOM 705 C VAL A 59 2.696 -14.863 -2.048 1.00 0.00 C ATOM 706 O VAL A 59 2.713 -16.027 -2.391 1.00 0.00 O ATOM 707 CB VAL A 59 4.884 -13.873 -1.350 1.00 0.00 C ATOM 708 CG1 VAL A 59 5.376 -15.295 -1.067 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.065 -13.009 -1.801 1.00 0.00 C ATOM 0 H VAL A 59 2.937 -12.064 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 59 4.268 -14.272 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 59 4.447 -13.451 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.129 -15.270 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.537 -15.913 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.813 -15.716 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.818 -12.983 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.501 -13.432 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.718 -11.996 -2.005 1.00 0.00 H new ATOM 719 N LEU A 60 1.718 -14.401 -1.313 1.00 0.00 N ATOM 720 CA LEU A 60 0.617 -15.316 -0.895 1.00 0.00 C ATOM 721 C LEU A 60 -0.505 -15.274 -1.936 1.00 0.00 C ATOM 722 O LEU A 60 -0.762 -14.245 -2.523 1.00 0.00 O ATOM 723 CB LEU A 60 0.069 -14.860 0.463 1.00 0.00 C ATOM 724 CG LEU A 60 -0.145 -16.070 1.373 1.00 0.00 C ATOM 725 CD1 LEU A 60 0.540 -15.822 2.719 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.645 -16.274 1.599 1.00 0.00 C ATOM 0 H LEU A 60 1.635 -13.438 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 60 0.999 -16.334 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.764 -14.162 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.872 -14.328 0.325 1.00 0.00 H new ATOM 0 HG LEU A 60 0.280 -16.958 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.388 -16.684 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.608 -15.670 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.113 -14.935 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.801 -17.136 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.066 -15.385 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.137 -16.446 0.642 1.00 0.00 H new ATOM 738 N PRO A 61 -1.148 -16.395 -2.129 1.00 0.00 N ATOM 739 CA PRO A 61 -2.259 -16.513 -3.087 1.00 0.00 C ATOM 740 C PRO A 61 -3.532 -15.910 -2.487 1.00 0.00 C ATOM 741 O PRO A 61 -3.952 -16.273 -1.406 1.00 0.00 O ATOM 742 CB PRO A 61 -2.404 -18.023 -3.286 1.00 0.00 C ATOM 743 CG PRO A 61 -1.775 -18.690 -2.039 1.00 0.00 C ATOM 744 CD PRO A 61 -0.828 -17.647 -1.413 1.00 0.00 C ATOM 0 HA PRO A 61 -2.083 -15.986 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.453 -18.302 -3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.898 -18.345 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.546 -18.989 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.229 -19.592 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.997 -17.548 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.217 -17.927 -1.546 1.00 0.00 H new ATOM 752 N GLY A 62 -4.146 -14.987 -3.176 1.00 0.00 N ATOM 753 CA GLY A 62 -5.387 -14.356 -2.644 1.00 0.00 C ATOM 754 C GLY A 62 -5.562 -12.975 -3.275 1.00 0.00 C ATOM 755 O GLY A 62 -5.080 -12.715 -4.357 1.00 0.00 O ATOM 0 H GLY A 62 -3.841 -14.642 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.251 -14.982 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.328 -14.268 -1.559 1.00 0.00 H new ATOM 759 N ARG A 63 -6.248 -12.086 -2.612 1.00 0.00 N ATOM 760 CA ARG A 63 -6.447 -10.726 -3.186 1.00 0.00 C ATOM 761 C ARG A 63 -5.738 -9.690 -2.312 1.00 0.00 C ATOM 762 O ARG A 63 -5.846 -9.706 -1.103 1.00 0.00 O ATOM 763 CB ARG A 63 -7.942 -10.410 -3.252 1.00 0.00 C ATOM 764 CG ARG A 63 -8.513 -10.941 -4.568 1.00 0.00 C ATOM 765 CD ARG A 63 -8.782 -12.441 -4.436 1.00 0.00 C ATOM 766 NE ARG A 63 -9.447 -12.938 -5.671 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.740 -13.105 -5.690 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.273 -14.131 -5.086 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.500 -12.244 -6.310 1.00 0.00 N ATOM 0 H ARG A 63 -6.678 -12.242 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.028 -10.694 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.459 -10.866 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.102 -9.334 -3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.435 -10.415 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.812 -10.756 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.846 -12.976 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.413 -12.633 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.892 -13.148 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.678 -14.802 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.284 -14.262 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.082 -11.441 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.511 -12.375 -6.325 1.00 0.00 H new ATOM 783 N TYR A 64 -5.012 -8.790 -2.916 1.00 0.00 N ATOM 784 CA TYR A 64 -4.294 -7.753 -2.121 1.00 0.00 C ATOM 785 C TYR A 64 -4.847 -6.372 -2.458 1.00 0.00 C ATOM 786 O TYR A 64 -5.274 -6.119 -3.565 1.00 0.00 O ATOM 787 CB TYR A 64 -2.813 -7.756 -2.482 1.00 0.00 C ATOM 788 CG TYR A 64 -2.122 -8.995 -1.970 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.139 -10.169 -2.731 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.420 -8.953 -0.758 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.449 -11.301 -2.282 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.740 -10.087 -0.307 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.751 -11.259 -1.068 1.00 0.00 C ATOM 794 OH TYR A 64 -0.059 -12.368 -0.630 1.00 0.00 O ATOM 0 H TYR A 64 -4.885 -8.727 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.430 -7.975 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.701 -7.697 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.333 -6.871 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.684 -10.202 -3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.405 -8.045 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.455 -12.206 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.205 -10.058 0.631 1.00 0.00 H new ATOM 0 HH TYR A 64 0.556 -12.108 0.088 1.00 0.00 H new ATOM 804 N HIS A 65 -4.810 -5.467 -1.521 1.00 0.00 N ATOM 805 CA HIS A 65 -5.302 -4.089 -1.793 1.00 0.00 C ATOM 806 C HIS A 65 -4.094 -3.165 -1.971 1.00 0.00 C ATOM 807 O HIS A 65 -3.186 -3.156 -1.165 1.00 0.00 O ATOM 808 CB HIS A 65 -6.157 -3.606 -0.621 1.00 0.00 C ATOM 809 CG HIS A 65 -6.510 -2.159 -0.826 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.656 -1.767 -1.498 1.00 0.00 N ATOM 811 CD2 HIS A 65 -5.873 -0.999 -0.462 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.673 -0.421 -1.521 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.609 0.097 -0.902 1.00 0.00 N ATOM 0 H HIS A 65 -4.459 -5.623 -0.576 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.910 -4.082 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.064 -4.206 -0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.614 -3.730 0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.942 -0.945 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.452 0.168 -1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.384 1.084 -0.778 1.00 0.00 H new ATOM 821 N VAL A 66 -4.068 -2.401 -3.029 1.00 0.00 N ATOM 822 CA VAL A 66 -2.911 -1.492 -3.270 1.00 0.00 C ATOM 823 C VAL A 66 -3.340 -0.036 -3.105 1.00 0.00 C ATOM 824 O VAL A 66 -4.489 0.301 -3.279 1.00 0.00 O ATOM 825 CB VAL A 66 -2.407 -1.694 -4.699 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.250 -0.732 -4.979 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.931 -3.131 -4.872 1.00 0.00 C ATOM 0 H VAL A 66 -4.800 -2.367 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.125 -1.721 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.218 -1.494 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.893 -0.879 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.594 0.295 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.438 -0.926 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.572 -3.275 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.122 -3.333 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.758 -3.814 -4.679 1.00 0.00 H new ATOM 837 N THR A 67 -2.411 0.830 -2.790 1.00 0.00 N ATOM 838 CA THR A 67 -2.735 2.278 -2.638 1.00 0.00 C ATOM 839 C THR A 67 -1.495 3.086 -3.022 1.00 0.00 C ATOM 840 O THR A 67 -0.395 2.571 -3.004 1.00 0.00 O ATOM 841 CB THR A 67 -3.113 2.594 -1.186 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.047 3.300 -0.567 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.380 1.298 -0.419 1.00 0.00 C ATOM 0 H THR A 67 -1.432 0.592 -2.630 1.00 0.00 H new ATOM 0 HA THR A 67 -3.579 2.533 -3.279 1.00 0.00 H new ATOM 0 HB THR A 67 -4.016 3.205 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.129 3.229 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.648 1.533 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.200 0.757 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.483 0.678 -0.428 1.00 0.00 H new ATOM 851 N ALA A 68 -1.646 4.338 -3.375 1.00 0.00 N ATOM 852 CA ALA A 68 -0.434 5.130 -3.756 1.00 0.00 C ATOM 853 C ALA A 68 -0.640 6.627 -3.522 1.00 0.00 C ATOM 854 O ALA A 68 -1.527 7.242 -4.069 1.00 0.00 O ATOM 855 CB ALA A 68 -0.105 4.906 -5.232 1.00 0.00 C ATOM 0 H ALA A 68 -2.534 4.838 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 68 0.388 4.788 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.778 5.486 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.090 3.848 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.948 5.224 -5.845 1.00 0.00 H new ATOM 861 N VAL A 69 0.216 7.223 -2.747 1.00 0.00 N ATOM 862 CA VAL A 69 0.120 8.685 -2.506 1.00 0.00 C ATOM 863 C VAL A 69 1.071 9.367 -3.482 1.00 0.00 C ATOM 864 O VAL A 69 2.227 9.030 -3.560 1.00 0.00 O ATOM 865 CB VAL A 69 0.540 9.015 -1.071 1.00 0.00 C ATOM 866 CG1 VAL A 69 -0.289 10.195 -0.560 1.00 0.00 C ATOM 867 CG2 VAL A 69 0.305 7.800 -0.170 1.00 0.00 C ATOM 0 H VAL A 69 0.985 6.756 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.905 9.027 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 69 1.598 9.275 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.007 10.433 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.119 11.062 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.347 9.932 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.605 8.040 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.752 7.536 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.894 6.958 -0.533 1.00 0.00 H new ATOM 877 N LEU A 70 0.603 10.305 -4.241 1.00 0.00 N ATOM 878 CA LEU A 70 1.512 10.962 -5.220 1.00 0.00 C ATOM 879 C LEU A 70 2.195 12.138 -4.539 1.00 0.00 C ATOM 880 O LEU A 70 1.591 12.841 -3.761 1.00 0.00 O ATOM 881 CB LEU A 70 0.722 11.514 -6.413 1.00 0.00 C ATOM 882 CG LEU A 70 0.102 10.397 -7.268 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.157 9.822 -8.192 1.00 0.00 C ATOM 884 CD2 LEU A 70 -0.469 9.284 -6.391 1.00 0.00 C ATOM 0 H LEU A 70 -0.358 10.647 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 70 2.234 10.224 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.068 12.172 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.382 12.120 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.712 10.825 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.717 9.030 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.538 10.609 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.976 9.413 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.901 8.508 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.327 8.855 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.242 9.694 -5.740 1.00 0.00 H new ATOM 896 N ALA A 71 3.438 12.381 -4.826 1.00 0.00 N ATOM 897 CA ALA A 71 4.102 13.543 -4.188 1.00 0.00 C ATOM 898 C ALA A 71 4.808 14.375 -5.242 1.00 0.00 C ATOM 899 O ALA A 71 5.806 13.984 -5.812 1.00 0.00 O ATOM 900 CB ALA A 71 5.113 13.100 -3.148 1.00 0.00 C ATOM 0 H ALA A 71 4.016 11.835 -5.465 1.00 0.00 H new ATOM 0 HA ALA A 71 3.333 14.136 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.581 13.976 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.609 12.522 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.876 12.483 -3.622 1.00 0.00 H new ATOM 906 N LEU A 72 4.289 15.530 -5.481 1.00 0.00 N ATOM 907 CA LEU A 72 4.896 16.449 -6.477 1.00 0.00 C ATOM 908 C LEU A 72 5.614 17.575 -5.739 1.00 0.00 C ATOM 909 O LEU A 72 6.327 18.366 -6.325 1.00 0.00 O ATOM 910 CB LEU A 72 3.787 17.062 -7.318 1.00 0.00 C ATOM 911 CG LEU A 72 3.177 16.004 -8.238 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.048 15.274 -7.506 1.00 0.00 C ATOM 913 CD2 LEU A 72 2.614 16.692 -9.484 1.00 0.00 C ATOM 0 H LEU A 72 3.452 15.890 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 72 5.596 15.901 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.016 17.478 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.184 17.886 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 72 3.943 15.284 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.615 14.521 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.446 14.791 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.278 15.990 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.177 15.945 -10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.847 17.408 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.416 17.214 -10.006 1.00 0.00 H new ATOM 925 N GLY A 73 5.398 17.669 -4.460 1.00 0.00 N ATOM 926 CA GLY A 73 6.025 18.758 -3.666 1.00 0.00 C ATOM 927 C GLY A 73 4.928 19.749 -3.280 1.00 0.00 C ATOM 928 O GLY A 73 4.826 20.175 -2.147 1.00 0.00 O ATOM 0 H GLY A 73 4.808 17.032 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.504 18.353 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.801 19.256 -4.247 1.00 0.00 H new ATOM 932 N ALA A 74 4.094 20.102 -4.222 1.00 0.00 N ATOM 933 CA ALA A 74 2.981 21.050 -3.933 1.00 0.00 C ATOM 934 C ALA A 74 1.632 20.373 -4.219 1.00 0.00 C ATOM 935 O ALA A 74 0.586 20.934 -3.967 1.00 0.00 O ATOM 936 CB ALA A 74 3.120 22.281 -4.824 1.00 0.00 C ATOM 0 H ALA A 74 4.137 19.771 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 74 3.025 21.344 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.307 22.976 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.074 22.769 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.078 21.979 -5.871 1.00 0.00 H new ATOM 942 N GLY A 75 1.647 19.176 -4.745 1.00 0.00 N ATOM 943 CA GLY A 75 0.363 18.477 -5.046 1.00 0.00 C ATOM 944 C GLY A 75 0.517 16.977 -4.784 1.00 0.00 C ATOM 945 O GLY A 75 1.613 16.472 -4.630 1.00 0.00 O ATOM 0 H GLY A 75 2.491 18.653 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.437 18.884 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.080 18.647 -6.085 1.00 0.00 H new ATOM 949 N SER A 76 -0.575 16.265 -4.718 1.00 0.00 N ATOM 950 CA SER A 76 -0.505 14.800 -4.454 1.00 0.00 C ATOM 951 C SER A 76 -1.702 14.099 -5.105 1.00 0.00 C ATOM 952 O SER A 76 -2.514 14.715 -5.766 1.00 0.00 O ATOM 953 CB SER A 76 -0.544 14.573 -2.943 1.00 0.00 C ATOM 954 OG SER A 76 -1.897 14.530 -2.510 1.00 0.00 O ATOM 0 H SER A 76 -1.517 16.637 -4.836 1.00 0.00 H new ATOM 0 HA SER A 76 0.416 14.393 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.039 13.640 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.011 15.373 -2.429 1.00 0.00 H new ATOM 0 HG SER A 76 -1.926 14.383 -1.542 1.00 0.00 H new ATOM 960 N ALA A 77 -1.816 12.815 -4.909 1.00 0.00 N ATOM 961 CA ALA A 77 -2.954 12.055 -5.496 1.00 0.00 C ATOM 962 C ALA A 77 -3.192 10.803 -4.648 1.00 0.00 C ATOM 963 O ALA A 77 -2.354 10.418 -3.856 1.00 0.00 O ATOM 964 CB ALA A 77 -2.618 11.650 -6.935 1.00 0.00 C ATOM 0 H ALA A 77 -1.163 12.255 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.851 12.674 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.453 11.094 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.435 12.544 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.726 11.023 -6.938 1.00 0.00 H new ATOM 970 N LEU A 78 -4.324 10.167 -4.797 1.00 0.00 N ATOM 971 CA LEU A 78 -4.598 8.947 -3.983 1.00 0.00 C ATOM 972 C LEU A 78 -4.841 7.751 -4.898 1.00 0.00 C ATOM 973 O LEU A 78 -5.748 7.743 -5.708 1.00 0.00 O ATOM 974 CB LEU A 78 -5.829 9.180 -3.106 1.00 0.00 C ATOM 975 CG LEU A 78 -5.542 8.697 -1.682 1.00 0.00 C ATOM 976 CD1 LEU A 78 -4.601 9.681 -0.984 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.853 8.610 -0.900 1.00 0.00 C ATOM 0 H LEU A 78 -5.066 10.437 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.735 8.741 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.087 10.239 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.687 8.647 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.073 7.714 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.399 9.334 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.665 9.746 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.068 10.665 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.650 8.266 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.320 9.594 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.525 7.908 -1.393 1.00 0.00 H new ATOM 989 N LEU A 79 -4.028 6.740 -4.773 1.00 0.00 N ATOM 990 CA LEU A 79 -4.184 5.537 -5.625 1.00 0.00 C ATOM 991 C LEU A 79 -4.775 4.407 -4.799 1.00 0.00 C ATOM 992 O LEU A 79 -4.650 4.375 -3.591 1.00 0.00 O ATOM 993 CB LEU A 79 -2.809 5.111 -6.130 1.00 0.00 C ATOM 994 CG LEU A 79 -2.797 4.964 -7.650 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.817 3.476 -8.012 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.017 5.663 -8.252 1.00 0.00 C ATOM 0 H LEU A 79 -3.255 6.699 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.842 5.762 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.064 5.847 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.527 4.165 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.895 5.425 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.809 3.365 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.939 2.987 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.718 3.015 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.001 5.553 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.927 5.213 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.994 6.722 -7.994 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.410 3.475 -5.455 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.021 2.332 -4.731 1.00 0.00 C ATOM 1010 C GLY A 80 -6.395 1.222 -5.723 1.00 0.00 C ATOM 1011 O GLY A 80 -7.421 1.284 -6.368 1.00 0.00 O ATOM 0 H GLY A 80 -5.531 3.459 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.323 1.947 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.909 2.664 -4.193 1.00 0.00 H new ATOM 1015 N THR A 81 -5.581 0.203 -5.849 1.00 0.00 N ATOM 1016 CA THR A 81 -5.914 -0.898 -6.807 1.00 0.00 C ATOM 1017 C THR A 81 -6.145 -2.210 -6.047 1.00 0.00 C ATOM 1018 O THR A 81 -6.168 -2.246 -4.834 1.00 0.00 O ATOM 1019 CB THR A 81 -4.765 -1.090 -7.808 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.891 -2.103 -7.336 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.985 0.214 -7.979 1.00 0.00 C ATOM 0 H THR A 81 -4.708 0.085 -5.335 1.00 0.00 H new ATOM 0 HA THR A 81 -6.823 -0.626 -7.343 1.00 0.00 H new ATOM 0 HB THR A 81 -5.183 -1.381 -8.772 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.975 -2.898 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.174 0.062 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.653 0.992 -8.350 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.571 0.519 -7.018 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.315 -3.289 -6.766 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.545 -4.612 -6.119 1.00 0.00 C ATOM 1031 C ASP A 82 -5.973 -5.700 -7.030 1.00 0.00 C ATOM 1032 O ASP A 82 -6.096 -5.629 -8.237 1.00 0.00 O ATOM 1033 CB ASP A 82 -8.049 -4.836 -5.937 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.321 -6.313 -5.637 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -7.837 -6.792 -4.624 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -9.012 -6.938 -6.424 1.00 0.00 O ATOM 0 H ASP A 82 -6.304 -3.308 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.059 -4.644 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.422 -4.215 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.583 -4.534 -6.838 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.344 -6.701 -6.478 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.767 -7.767 -7.340 1.00 0.00 C ATOM 1043 C VAL A 83 -5.286 -9.136 -6.894 1.00 0.00 C ATOM 1044 O VAL A 83 -5.604 -9.343 -5.741 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.229 -7.752 -7.252 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.743 -6.789 -6.163 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.733 -9.152 -6.909 1.00 0.00 C ATOM 0 H VAL A 83 -5.206 -6.825 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.068 -7.580 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.839 -7.423 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.654 -6.801 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.087 -5.780 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.142 -7.100 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.645 -9.147 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.151 -9.462 -5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.048 -9.850 -7.685 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.359 -10.070 -7.807 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.842 -11.438 -7.459 1.00 0.00 C ATOM 1059 C GLN A 84 -4.711 -12.447 -7.716 1.00 0.00 C ATOM 1060 O GLN A 84 -4.608 -13.030 -8.777 1.00 0.00 O ATOM 1061 CB GLN A 84 -7.064 -11.785 -8.321 1.00 0.00 C ATOM 1062 CG GLN A 84 -6.714 -11.665 -9.809 1.00 0.00 C ATOM 1063 CD GLN A 84 -7.702 -10.722 -10.499 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -8.834 -11.086 -10.750 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -7.318 -9.517 -10.821 1.00 0.00 N ATOM 0 H GLN A 84 -5.103 -9.942 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.130 -11.476 -6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.399 -12.798 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.890 -11.116 -8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.697 -11.289 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.745 -12.648 -10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.368 -9.211 -10.610 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.968 -8.881 -11.283 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.852 -12.644 -6.754 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.719 -13.597 -6.943 1.00 0.00 C ATOM 1076 C VAL A 85 -3.207 -15.041 -6.794 1.00 0.00 C ATOM 1077 O VAL A 85 -4.026 -15.347 -5.950 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.638 -13.305 -5.897 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.548 -14.381 -5.947 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -1.011 -11.942 -6.196 1.00 0.00 C ATOM 0 H VAL A 85 -3.885 -12.186 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.308 -13.471 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.091 -13.303 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.214 -14.162 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.989 -15.356 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.092 -14.391 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.240 -11.726 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.565 -11.957 -7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.780 -11.171 -6.155 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.704 -15.931 -7.611 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.129 -17.361 -7.527 1.00 0.00 C ATOM 1092 C GLU A 86 -1.934 -18.222 -7.108 1.00 0.00 C ATOM 1093 O GLU A 86 -0.875 -17.718 -6.794 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.628 -17.827 -8.896 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.581 -16.783 -9.480 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.594 -17.475 -10.397 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -5.165 -18.177 -11.298 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.781 -17.287 -10.183 1.00 0.00 O ATOM 0 H GLU A 86 -2.015 -15.728 -8.335 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.929 -17.459 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.784 -17.980 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.138 -18.786 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.099 -16.259 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.020 -16.035 -10.039 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.088 -19.519 -7.100 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.951 -20.396 -6.702 1.00 0.00 C ATOM 1107 C ALA A 87 -1.026 -21.719 -7.470 1.00 0.00 C ATOM 1108 O ALA A 87 -0.457 -21.857 -8.535 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.016 -20.662 -5.196 1.00 0.00 C ATOM 0 H ALA A 87 -2.948 -20.007 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.009 -19.901 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.185 -21.304 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.952 -19.717 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.957 -21.155 -4.954 1.00 0.00 H new TER 1115 ALA A 87