USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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= -19.8! C(o=-24!,f=-21!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -3.9! USER MOD Set 2.1: A 14 HIS : no HD1:sc= -4.52! C(o=-4.4!,f=-5.2!) USER MOD Set 2.2: A 21 GLN : amide:sc= 0.115 X(o=-4.4,f=-4.7) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 49:sc= 1.17 USER MOD Single : A 26 HIS : no HE2:sc= -14! C(o=-14!,f=-16!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -110:sc= 0.593 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 175:sc= -1.8! USER MOD Single : A 65 HIS : no HD1:sc= -3! K(o=-3!,f=-0.73) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -1.61 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.485 10.053 -9.395 1.00 0.00 N ATOM 2 CA ALA A 8 -3.762 9.575 -10.605 1.00 0.00 C ATOM 3 C ALA A 8 -4.392 8.264 -11.070 1.00 0.00 C ATOM 4 O ALA A 8 -5.017 7.562 -10.304 1.00 0.00 O ATOM 5 CB ALA A 8 -2.283 9.368 -10.262 1.00 0.00 C ATOM 0 HA ALA A 8 -3.835 10.311 -11.406 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.750 9.018 -11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.851 10.312 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.194 8.627 -9.467 1.00 0.00 H new ATOM 11 N THR A 9 -4.249 7.935 -12.323 1.00 0.00 N ATOM 12 CA THR A 9 -4.856 6.676 -12.825 1.00 0.00 C ATOM 13 C THR A 9 -4.051 5.495 -12.311 1.00 0.00 C ATOM 14 O THR A 9 -2.854 5.591 -12.088 1.00 0.00 O ATOM 15 CB THR A 9 -4.881 6.673 -14.353 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.984 5.898 -14.806 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.586 6.077 -14.895 1.00 0.00 C ATOM 0 H THR A 9 -3.740 8.482 -13.017 1.00 0.00 H new ATOM 0 HA THR A 9 -5.882 6.600 -12.465 1.00 0.00 H new ATOM 0 HB THR A 9 -4.980 7.698 -14.711 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.002 5.897 -15.786 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.613 6.079 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.740 6.672 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.479 5.053 -14.536 1.00 0.00 H new ATOM 25 N LEU A 10 -4.722 4.396 -12.105 1.00 0.00 N ATOM 26 CA LEU A 10 -4.067 3.174 -11.570 1.00 0.00 C ATOM 27 C LEU A 10 -3.567 2.295 -12.715 1.00 0.00 C ATOM 28 O LEU A 10 -4.337 1.591 -13.337 1.00 0.00 O ATOM 29 CB LEU A 10 -5.106 2.366 -10.779 1.00 0.00 C ATOM 30 CG LEU A 10 -5.598 3.154 -9.560 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.484 4.328 -9.994 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.410 2.222 -8.660 1.00 0.00 C ATOM 0 H LEU A 10 -5.720 4.294 -12.290 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.229 3.470 -10.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.950 2.121 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.668 1.422 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.734 3.547 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.822 4.874 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.912 4.997 -10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.348 3.949 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.764 2.774 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.264 1.833 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.782 1.394 -8.333 1.00 0.00 H new ATOM 44 N VAL A 11 -2.292 2.299 -12.989 1.00 0.00 N ATOM 45 CA VAL A 11 -1.788 1.424 -14.077 1.00 0.00 C ATOM 46 C VAL A 11 -0.858 0.377 -13.471 1.00 0.00 C ATOM 47 O VAL A 11 0.261 0.668 -13.109 1.00 0.00 O ATOM 48 CB VAL A 11 -1.032 2.249 -15.106 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.964 1.465 -16.420 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.771 3.569 -15.341 1.00 0.00 C ATOM 0 H VAL A 11 -1.588 2.863 -12.513 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.627 0.936 -14.573 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.024 2.456 -14.746 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.423 2.049 -17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.446 0.520 -16.254 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.974 1.267 -16.778 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.231 4.162 -16.079 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.777 3.363 -15.707 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.833 4.123 -14.404 1.00 0.00 H new ATOM 60 N GLY A 12 -1.315 -0.838 -13.345 1.00 0.00 N ATOM 61 CA GLY A 12 -0.455 -1.898 -12.746 1.00 0.00 C ATOM 62 C GLY A 12 -0.211 -3.012 -13.769 1.00 0.00 C ATOM 63 O GLY A 12 -0.804 -4.069 -13.683 1.00 0.00 O ATOM 0 H GLY A 12 -2.246 -1.143 -13.630 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.496 -1.470 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.934 -2.308 -11.857 1.00 0.00 H new ATOM 67 N PRO A 13 0.663 -2.740 -14.706 1.00 0.00 N ATOM 68 CA PRO A 13 1.020 -3.703 -15.767 1.00 0.00 C ATOM 69 C PRO A 13 1.857 -4.871 -15.225 1.00 0.00 C ATOM 70 O PRO A 13 2.633 -4.736 -14.289 1.00 0.00 O ATOM 71 CB PRO A 13 1.820 -2.863 -16.766 1.00 0.00 C ATOM 72 CG PRO A 13 2.338 -1.637 -15.983 1.00 0.00 C ATOM 73 CD PRO A 13 1.374 -1.448 -14.799 1.00 0.00 C ATOM 0 HA PRO A 13 0.142 -4.171 -16.212 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.648 -3.437 -17.182 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.194 -2.554 -17.603 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.357 -1.800 -15.633 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.356 -0.750 -16.616 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.912 -1.222 -13.879 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.683 -0.624 -14.975 1.00 0.00 H new ATOM 81 N HIS A 14 1.686 -6.019 -15.831 1.00 0.00 N ATOM 82 CA HIS A 14 2.428 -7.249 -15.420 1.00 0.00 C ATOM 83 C HIS A 14 1.694 -8.471 -15.967 1.00 0.00 C ATOM 84 O HIS A 14 2.292 -9.451 -16.367 1.00 0.00 O ATOM 85 CB HIS A 14 2.493 -7.353 -13.892 1.00 0.00 C ATOM 86 CG HIS A 14 2.961 -8.725 -13.499 1.00 0.00 C ATOM 87 ND1 HIS A 14 4.298 -9.014 -13.280 1.00 0.00 N ATOM 88 CD2 HIS A 14 2.284 -9.898 -13.274 1.00 0.00 C ATOM 89 CE1 HIS A 14 4.384 -10.312 -12.942 1.00 0.00 C ATOM 90 NE2 HIS A 14 3.184 -10.899 -12.924 1.00 0.00 N ATOM 0 H HIS A 14 1.046 -6.157 -16.613 1.00 0.00 H new ATOM 0 HA HIS A 14 3.443 -7.200 -15.815 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.172 -6.599 -13.495 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.511 -7.156 -13.462 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.215 -10.024 -13.356 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.310 -10.819 -12.713 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.973 -11.872 -12.701 1.00 0.00 H new ATOM 98 N GLY A 15 0.396 -8.416 -15.968 1.00 0.00 N ATOM 99 CA GLY A 15 -0.414 -9.563 -16.463 1.00 0.00 C ATOM 100 C GLY A 15 -1.036 -10.257 -15.253 1.00 0.00 C ATOM 101 O GLY A 15 -1.461 -9.601 -14.323 1.00 0.00 O ATOM 0 H GLY A 15 -0.147 -7.616 -15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.191 -9.215 -17.144 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.212 -10.259 -17.022 1.00 0.00 H new ATOM 105 N PRO A 16 -1.052 -11.561 -15.282 1.00 0.00 N ATOM 106 CA PRO A 16 -1.593 -12.357 -14.175 1.00 0.00 C ATOM 107 C PRO A 16 -0.581 -12.377 -13.035 1.00 0.00 C ATOM 108 O PRO A 16 0.613 -12.362 -13.254 1.00 0.00 O ATOM 109 CB PRO A 16 -1.776 -13.746 -14.775 1.00 0.00 C ATOM 110 CG PRO A 16 -0.827 -13.818 -15.996 1.00 0.00 C ATOM 111 CD PRO A 16 -0.533 -12.361 -16.408 1.00 0.00 C ATOM 0 HA PRO A 16 -2.525 -11.967 -13.766 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.533 -14.520 -14.047 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.811 -13.906 -15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.094 -14.343 -15.741 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.290 -14.367 -16.816 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.534 -12.196 -16.557 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.029 -12.103 -17.344 1.00 0.00 H new ATOM 119 N LEU A 17 -1.041 -12.395 -11.822 1.00 0.00 N ATOM 120 CA LEU A 17 -0.089 -12.394 -10.678 1.00 0.00 C ATOM 121 C LEU A 17 -0.016 -13.788 -10.063 1.00 0.00 C ATOM 122 O LEU A 17 -0.785 -14.133 -9.193 1.00 0.00 O ATOM 123 CB LEU A 17 -0.561 -11.394 -9.616 1.00 0.00 C ATOM 124 CG LEU A 17 0.163 -10.053 -9.796 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.678 -10.255 -9.691 1.00 0.00 C ATOM 126 CD2 LEU A 17 -0.177 -9.465 -11.168 1.00 0.00 C ATOM 0 H LEU A 17 -2.029 -12.410 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 17 0.899 -12.106 -11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.638 -11.248 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.366 -11.791 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.162 -9.368 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.183 -9.297 -9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.923 -10.665 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.008 -10.946 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.338 -8.513 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.141 -10.156 -11.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.253 -9.307 -11.240 1.00 0.00 H new ATOM 138 N ALA A 18 0.913 -14.589 -10.497 1.00 0.00 N ATOM 139 CA ALA A 18 1.038 -15.951 -9.915 1.00 0.00 C ATOM 140 C ALA A 18 1.666 -15.830 -8.528 1.00 0.00 C ATOM 141 O ALA A 18 2.285 -14.836 -8.204 1.00 0.00 O ATOM 142 CB ALA A 18 1.931 -16.814 -10.808 1.00 0.00 C ATOM 0 H ALA A 18 1.589 -14.361 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 18 0.055 -16.416 -9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.020 -17.812 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.491 -16.886 -11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.920 -16.361 -10.881 1.00 0.00 H new ATOM 148 N SER A 19 1.506 -16.824 -7.703 1.00 0.00 N ATOM 149 CA SER A 19 2.092 -16.758 -6.334 1.00 0.00 C ATOM 150 C SER A 19 3.599 -16.507 -6.423 1.00 0.00 C ATOM 151 O SER A 19 4.325 -17.234 -7.073 1.00 0.00 O ATOM 152 CB SER A 19 1.840 -18.076 -5.611 1.00 0.00 C ATOM 153 OG SER A 19 2.632 -18.117 -4.433 1.00 0.00 O ATOM 0 H SER A 19 0.995 -17.681 -7.916 1.00 0.00 H new ATOM 0 HA SER A 19 1.625 -15.941 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.784 -18.170 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.088 -18.915 -6.261 1.00 0.00 H new ATOM 0 HG SER A 19 2.520 -17.281 -3.934 1.00 0.00 H new ATOM 159 N GLY A 20 4.073 -15.481 -5.769 1.00 0.00 N ATOM 160 CA GLY A 20 5.531 -15.175 -5.807 1.00 0.00 C ATOM 161 C GLY A 20 5.858 -14.433 -7.102 1.00 0.00 C ATOM 162 O GLY A 20 6.775 -14.787 -7.816 1.00 0.00 O ATOM 0 H GLY A 20 3.511 -14.840 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.809 -14.567 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.109 -16.097 -5.747 1.00 0.00 H new ATOM 166 N GLN A 21 5.108 -13.412 -7.416 1.00 0.00 N ATOM 167 CA GLN A 21 5.375 -12.657 -8.675 1.00 0.00 C ATOM 168 C GLN A 21 5.611 -11.173 -8.378 1.00 0.00 C ATOM 169 O GLN A 21 5.103 -10.621 -7.416 1.00 0.00 O ATOM 170 CB GLN A 21 4.180 -12.803 -9.615 1.00 0.00 C ATOM 171 CG GLN A 21 4.348 -14.070 -10.453 1.00 0.00 C ATOM 172 CD GLN A 21 4.717 -13.688 -11.886 1.00 0.00 C ATOM 173 OE1 GLN A 21 3.922 -13.842 -12.793 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.899 -13.192 -12.132 1.00 0.00 N ATOM 0 H GLN A 21 4.326 -13.069 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 21 6.271 -13.065 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.255 -12.853 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.105 -11.931 -10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.124 -14.703 -10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.424 -14.649 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.566 -13.063 -11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.155 -12.934 -13.085 1.00 0.00 H new ATOM 183 N LEU A 22 6.381 -10.526 -9.218 1.00 0.00 N ATOM 184 CA LEU A 22 6.669 -9.075 -9.031 1.00 0.00 C ATOM 185 C LEU A 22 5.879 -8.280 -10.069 1.00 0.00 C ATOM 186 O LEU A 22 6.289 -8.148 -11.205 1.00 0.00 O ATOM 187 CB LEU A 22 8.173 -8.826 -9.239 1.00 0.00 C ATOM 188 CG LEU A 22 8.589 -7.451 -8.683 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.975 -6.320 -9.518 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.124 -7.309 -7.232 1.00 0.00 C ATOM 0 H LEU A 22 6.826 -10.948 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 22 6.383 -8.764 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.746 -9.610 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.410 -8.879 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 22 9.676 -7.381 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.281 -5.358 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.319 -6.401 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.888 -6.396 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.423 -6.334 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.039 -7.400 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.579 -8.092 -6.626 1.00 0.00 H new ATOM 202 N ALA A 23 4.756 -7.736 -9.693 1.00 0.00 N ATOM 203 CA ALA A 23 3.967 -6.938 -10.670 1.00 0.00 C ATOM 204 C ALA A 23 4.616 -5.560 -10.780 1.00 0.00 C ATOM 205 O ALA A 23 5.247 -5.105 -9.855 1.00 0.00 O ATOM 206 CB ALA A 23 2.525 -6.793 -10.181 1.00 0.00 C ATOM 0 H ALA A 23 4.353 -7.809 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 23 3.954 -7.433 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.954 -6.208 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.075 -7.780 -10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.517 -6.288 -9.215 1.00 0.00 H new ATOM 212 N ALA A 24 4.481 -4.882 -11.885 1.00 0.00 N ATOM 213 CA ALA A 24 5.118 -3.541 -11.985 1.00 0.00 C ATOM 214 C ALA A 24 4.020 -2.497 -12.155 1.00 0.00 C ATOM 215 O ALA A 24 3.254 -2.540 -13.087 1.00 0.00 O ATOM 216 CB ALA A 24 6.086 -3.527 -13.166 1.00 0.00 C ATOM 0 H ALA A 24 3.967 -5.191 -12.710 1.00 0.00 H new ATOM 0 HA ALA A 24 5.685 -3.312 -11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.554 -2.545 -13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.855 -4.285 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.541 -3.741 -14.086 1.00 0.00 H new ATOM 222 N PHE A 25 3.913 -1.592 -11.223 1.00 0.00 N ATOM 223 CA PHE A 25 2.827 -0.570 -11.277 1.00 0.00 C ATOM 224 C PHE A 25 3.357 0.821 -11.633 1.00 0.00 C ATOM 225 O PHE A 25 4.540 1.101 -11.582 1.00 0.00 O ATOM 226 CB PHE A 25 2.198 -0.448 -9.890 1.00 0.00 C ATOM 227 CG PHE A 25 1.343 -1.641 -9.555 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.891 -2.932 -9.525 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.008 -1.442 -9.245 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.079 -4.022 -9.187 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.816 -2.533 -8.910 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.273 -3.823 -8.881 1.00 0.00 C ATOM 0 H PHE A 25 4.536 -1.515 -10.419 1.00 0.00 H new ATOM 0 HA PHE A 25 2.118 -0.895 -12.038 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.984 -0.343 -9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.592 0.457 -9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.934 -3.085 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.426 -0.446 -9.265 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.496 -5.018 -9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.859 -2.380 -8.674 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.897 -4.665 -8.622 1.00 0.00 H new ATOM 242 N HIS A 26 2.443 1.705 -11.929 1.00 0.00 N ATOM 243 CA HIS A 26 2.786 3.118 -12.228 1.00 0.00 C ATOM 244 C HIS A 26 1.473 3.914 -12.225 1.00 0.00 C ATOM 245 O HIS A 26 0.421 3.408 -12.582 1.00 0.00 O ATOM 246 CB HIS A 26 3.532 3.239 -13.569 1.00 0.00 C ATOM 247 CG HIS A 26 2.585 3.254 -14.737 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.723 4.312 -14.988 1.00 0.00 N ATOM 249 CD2 HIS A 26 2.395 2.365 -15.762 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.061 4.032 -16.124 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.437 2.860 -16.639 1.00 0.00 N ATOM 0 H HIS A 26 1.446 1.496 -11.976 1.00 0.00 H new ATOM 0 HA HIS A 26 3.465 3.518 -11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.127 4.152 -13.572 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.226 2.405 -13.675 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.612 5.149 -14.415 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.911 1.423 -15.872 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.316 4.677 -16.566 1.00 0.00 H new ATOM 259 N ILE A 27 1.510 5.139 -11.787 1.00 0.00 N ATOM 260 CA ILE A 27 0.260 5.950 -11.725 1.00 0.00 C ATOM 261 C ILE A 27 0.308 7.018 -12.817 1.00 0.00 C ATOM 262 O ILE A 27 1.359 7.312 -13.350 1.00 0.00 O ATOM 263 CB ILE A 27 0.139 6.614 -10.344 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.996 5.872 -9.310 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.317 6.562 -9.880 1.00 0.00 C ATOM 266 CD1 ILE A 27 0.117 4.876 -8.552 1.00 0.00 C ATOM 0 H ILE A 27 2.353 5.617 -11.468 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.606 5.307 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 27 0.481 7.645 -10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.814 5.350 -9.805 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.445 6.582 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.404 7.033 -8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.946 7.093 -10.595 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.641 5.523 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.720 4.345 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.686 5.411 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.311 4.160 -9.254 1.00 0.00 H new ATOM 278 N ALA A 28 -0.814 7.588 -13.186 1.00 0.00 N ATOM 279 CA ALA A 28 -0.771 8.616 -14.279 1.00 0.00 C ATOM 280 C ALA A 28 -1.691 9.812 -13.995 1.00 0.00 C ATOM 281 O ALA A 28 -2.892 9.678 -13.909 1.00 0.00 O ATOM 282 CB ALA A 28 -1.218 7.972 -15.585 1.00 0.00 C ATOM 0 H ALA A 28 -1.735 7.395 -12.792 1.00 0.00 H new ATOM 0 HA ALA A 28 0.254 8.982 -14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.190 8.713 -16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.550 7.147 -15.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.235 7.595 -15.476 1.00 0.00 H new ATOM 288 N ALA A 29 -1.130 10.994 -13.906 1.00 0.00 N ATOM 289 CA ALA A 29 -1.959 12.222 -13.684 1.00 0.00 C ATOM 290 C ALA A 29 -1.034 13.432 -13.478 1.00 0.00 C ATOM 291 O ALA A 29 -0.966 14.302 -14.328 1.00 0.00 O ATOM 292 CB ALA A 29 -2.880 12.050 -12.476 1.00 0.00 C ATOM 0 H ALA A 29 -0.127 11.162 -13.978 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.584 12.386 -14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.471 12.955 -12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.547 11.204 -12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.280 11.868 -11.584 1.00 0.00 H new ATOM 298 N PRO A 30 -0.332 13.460 -12.369 1.00 0.00 N ATOM 299 CA PRO A 30 0.596 14.559 -12.068 1.00 0.00 C ATOM 300 C PRO A 30 1.880 14.371 -12.872 1.00 0.00 C ATOM 301 O PRO A 30 2.874 13.909 -12.362 1.00 0.00 O ATOM 302 CB PRO A 30 0.855 14.419 -10.569 1.00 0.00 C ATOM 303 CG PRO A 30 0.525 12.953 -10.206 1.00 0.00 C ATOM 304 CD PRO A 30 -0.384 12.414 -11.324 1.00 0.00 C ATOM 0 HA PRO A 30 0.208 15.545 -12.324 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.892 14.655 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.232 15.110 -10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.436 12.359 -10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.024 12.897 -9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.026 11.456 -11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.402 12.256 -10.968 1.00 0.00 H new ATOM 312 N LEU A 31 1.843 14.709 -14.132 1.00 0.00 N ATOM 313 CA LEU A 31 3.042 14.542 -15.017 1.00 0.00 C ATOM 314 C LEU A 31 4.366 14.763 -14.257 1.00 0.00 C ATOM 315 O LEU A 31 5.234 13.913 -14.300 1.00 0.00 O ATOM 316 CB LEU A 31 2.950 15.527 -16.186 1.00 0.00 C ATOM 317 CG LEU A 31 2.752 14.750 -17.490 1.00 0.00 C ATOM 318 CD1 LEU A 31 3.885 13.736 -17.660 1.00 0.00 C ATOM 319 CD2 LEU A 31 1.410 14.013 -17.445 1.00 0.00 C ATOM 0 H LEU A 31 1.023 15.100 -14.596 1.00 0.00 H new ATOM 0 HA LEU A 31 3.043 13.515 -15.382 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.120 16.216 -16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.858 16.128 -16.242 1.00 0.00 H new ATOM 0 HG LEU A 31 2.759 15.444 -18.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.743 13.184 -18.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.840 14.260 -17.692 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.880 13.041 -16.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.268 13.459 -18.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.404 13.320 -16.604 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.602 14.735 -17.326 1.00 0.00 H new ATOM 331 N PRO A 32 4.500 15.891 -13.598 1.00 0.00 N ATOM 332 CA PRO A 32 5.728 16.222 -12.846 1.00 0.00 C ATOM 333 C PRO A 32 5.767 15.523 -11.475 1.00 0.00 C ATOM 334 O PRO A 32 5.873 16.168 -10.452 1.00 0.00 O ATOM 335 CB PRO A 32 5.636 17.740 -12.671 1.00 0.00 C ATOM 336 CG PRO A 32 4.139 18.108 -12.806 1.00 0.00 C ATOM 337 CD PRO A 32 3.460 16.940 -13.543 1.00 0.00 C ATOM 0 HA PRO A 32 6.630 15.895 -13.363 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.024 18.043 -11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.231 18.254 -13.425 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.688 18.261 -11.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.018 19.038 -13.361 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.574 16.595 -13.010 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.137 17.233 -14.542 1.00 0.00 H new ATOM 345 N VAL A 33 5.707 14.215 -11.441 1.00 0.00 N ATOM 346 CA VAL A 33 5.763 13.507 -10.124 1.00 0.00 C ATOM 347 C VAL A 33 7.222 13.372 -9.685 1.00 0.00 C ATOM 348 O VAL A 33 8.113 13.238 -10.499 1.00 0.00 O ATOM 349 CB VAL A 33 5.167 12.102 -10.239 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.397 11.352 -8.928 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.669 12.192 -10.496 1.00 0.00 C ATOM 0 H VAL A 33 5.623 13.611 -12.259 1.00 0.00 H new ATOM 0 HA VAL A 33 5.191 14.086 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 33 5.647 11.577 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.975 10.350 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.467 11.281 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.914 11.889 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.253 11.188 -10.577 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.189 12.719 -9.671 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.491 12.734 -11.425 1.00 0.00 H new ATOM 361 N THR A 34 7.470 13.387 -8.405 1.00 0.00 N ATOM 362 CA THR A 34 8.871 13.237 -7.915 1.00 0.00 C ATOM 363 C THR A 34 8.969 12.015 -7.006 1.00 0.00 C ATOM 364 O THR A 34 9.948 11.294 -7.015 1.00 0.00 O ATOM 365 CB THR A 34 9.303 14.497 -7.152 1.00 0.00 C ATOM 366 OG1 THR A 34 10.549 14.255 -6.515 1.00 0.00 O ATOM 367 CG2 THR A 34 8.259 14.866 -6.095 1.00 0.00 C ATOM 0 H THR A 34 6.764 13.496 -7.677 1.00 0.00 H new ATOM 0 HA THR A 34 9.534 13.102 -8.769 1.00 0.00 H new ATOM 0 HB THR A 34 9.398 15.322 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.829 15.058 -6.028 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.581 15.761 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.302 15.056 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.150 14.043 -5.388 1.00 0.00 H new ATOM 375 N ALA A 35 7.957 11.772 -6.233 1.00 0.00 N ATOM 376 CA ALA A 35 7.970 10.594 -5.324 1.00 0.00 C ATOM 377 C ALA A 35 6.534 10.134 -5.079 1.00 0.00 C ATOM 378 O ALA A 35 5.635 10.934 -4.903 1.00 0.00 O ATOM 379 CB ALA A 35 8.620 10.982 -3.995 1.00 0.00 C ATOM 0 H ALA A 35 7.112 12.342 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 35 8.540 9.784 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.630 10.119 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.643 11.314 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.052 11.790 -3.534 1.00 0.00 H new ATOM 385 N THR A 36 6.315 8.852 -5.064 1.00 0.00 N ATOM 386 CA THR A 36 4.942 8.326 -4.829 1.00 0.00 C ATOM 387 C THR A 36 4.990 7.309 -3.695 1.00 0.00 C ATOM 388 O THR A 36 5.851 6.455 -3.656 1.00 0.00 O ATOM 389 CB THR A 36 4.432 7.630 -6.090 1.00 0.00 C ATOM 390 OG1 THR A 36 3.284 6.857 -5.766 1.00 0.00 O ATOM 391 CG2 THR A 36 5.522 6.717 -6.639 1.00 0.00 C ATOM 0 H THR A 36 7.032 8.140 -5.205 1.00 0.00 H new ATOM 0 HA THR A 36 4.277 9.151 -4.573 1.00 0.00 H new ATOM 0 HB THR A 36 4.170 8.375 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.505 5.904 -5.821 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.161 6.219 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.405 7.309 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.781 5.969 -5.890 1.00 0.00 H new ATOM 399 N ARG A 37 4.075 7.380 -2.776 1.00 0.00 N ATOM 400 CA ARG A 37 4.088 6.400 -1.662 1.00 0.00 C ATOM 401 C ARG A 37 2.993 5.363 -1.894 1.00 0.00 C ATOM 402 O ARG A 37 1.827 5.621 -1.686 1.00 0.00 O ATOM 403 CB ARG A 37 3.846 7.120 -0.334 1.00 0.00 C ATOM 404 CG ARG A 37 4.863 6.635 0.703 1.00 0.00 C ATOM 405 CD ARG A 37 5.786 7.789 1.093 1.00 0.00 C ATOM 406 NE ARG A 37 4.969 8.933 1.586 1.00 0.00 N ATOM 407 CZ ARG A 37 5.430 10.150 1.498 1.00 0.00 C ATOM 408 NH1 ARG A 37 5.657 10.680 0.327 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.665 10.838 2.583 1.00 0.00 N ATOM 0 H ARG A 37 3.323 8.069 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 37 5.058 5.905 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.936 8.198 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.832 6.927 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.346 6.255 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.447 5.810 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.483 7.466 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.383 8.098 0.235 1.00 0.00 H new ATOM 0 HE ARG A 37 4.049 8.765 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.474 10.142 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.017 11.632 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.488 10.424 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.026 11.790 2.515 1.00 0.00 H new ATOM 423 N TRP A 38 3.356 4.186 -2.317 1.00 0.00 N ATOM 424 CA TRP A 38 2.328 3.138 -2.555 1.00 0.00 C ATOM 425 C TRP A 38 2.083 2.376 -1.262 1.00 0.00 C ATOM 426 O TRP A 38 2.702 2.620 -0.242 1.00 0.00 O ATOM 427 CB TRP A 38 2.814 2.111 -3.579 1.00 0.00 C ATOM 428 CG TRP A 38 3.131 2.738 -4.891 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.121 3.629 -5.121 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.489 2.497 -6.170 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.131 3.939 -6.468 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.141 3.270 -7.154 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.411 1.689 -6.567 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.747 3.240 -8.487 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.004 1.659 -7.908 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.673 2.431 -8.868 1.00 0.00 C ATOM 0 H TRP A 38 4.318 3.905 -2.508 1.00 0.00 H new ATOM 0 HA TRP A 38 1.428 3.635 -2.917 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.701 1.607 -3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.049 1.347 -3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.792 4.031 -4.377 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.791 4.585 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.893 1.087 -5.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.267 3.837 -9.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.171 1.038 -8.203 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.359 2.401 -9.901 1.00 0.00 H new ATOM 447 N ASP A 39 1.209 1.424 -1.323 1.00 0.00 N ATOM 448 CA ASP A 39 0.926 0.584 -0.142 1.00 0.00 C ATOM 449 C ASP A 39 0.557 -0.796 -0.669 1.00 0.00 C ATOM 450 O ASP A 39 -0.544 -1.014 -1.134 1.00 0.00 O ATOM 451 CB ASP A 39 -0.232 1.173 0.664 1.00 0.00 C ATOM 452 CG ASP A 39 0.278 1.624 2.034 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.648 0.765 2.818 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.291 2.820 2.274 1.00 0.00 O ATOM 0 H ASP A 39 0.670 1.189 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 39 1.791 0.533 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.668 2.017 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.021 0.430 0.784 1.00 0.00 H new ATOM 459 N PHE A 40 1.472 -1.725 -0.640 1.00 0.00 N ATOM 460 CA PHE A 40 1.145 -3.068 -1.189 1.00 0.00 C ATOM 461 C PHE A 40 0.346 -3.864 -0.162 1.00 0.00 C ATOM 462 O PHE A 40 -0.768 -4.275 -0.412 1.00 0.00 O ATOM 463 CB PHE A 40 2.410 -3.859 -1.538 1.00 0.00 C ATOM 464 CG PHE A 40 3.417 -3.022 -2.295 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.023 -1.869 -2.985 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.758 -3.431 -2.329 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.968 -1.132 -3.708 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.699 -2.689 -3.044 1.00 0.00 C ATOM 469 CZ PHE A 40 5.304 -1.541 -3.734 1.00 0.00 C ATOM 0 H PHE A 40 2.415 -1.615 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 40 0.563 -2.917 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.867 -4.233 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.139 -4.728 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.992 -1.549 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.063 -4.322 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.664 -0.246 -4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.732 -3.002 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.032 -0.968 -4.289 1.00 0.00 H new ATOM 479 N GLY A 41 0.915 -4.106 0.983 1.00 0.00 N ATOM 480 CA GLY A 41 0.191 -4.898 2.012 1.00 0.00 C ATOM 481 C GLY A 41 0.532 -6.380 1.836 1.00 0.00 C ATOM 482 O GLY A 41 -0.125 -7.246 2.381 1.00 0.00 O ATOM 0 H GLY A 41 1.847 -3.791 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.472 -4.564 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.884 -4.746 1.916 1.00 0.00 H new ATOM 486 N ASP A 42 1.574 -6.678 1.104 1.00 0.00 N ATOM 487 CA ASP A 42 1.980 -8.092 0.920 1.00 0.00 C ATOM 488 C ASP A 42 3.155 -8.333 1.859 1.00 0.00 C ATOM 489 O ASP A 42 2.992 -8.411 3.062 1.00 0.00 O ATOM 490 CB ASP A 42 2.382 -8.343 -0.548 1.00 0.00 C ATOM 491 CG ASP A 42 3.055 -7.099 -1.157 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.822 -6.449 -0.462 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.803 -6.826 -2.317 1.00 0.00 O ATOM 0 H ASP A 42 2.161 -5.995 0.625 1.00 0.00 H new ATOM 0 HA ASP A 42 1.162 -8.775 1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.063 -9.192 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.499 -8.605 -1.131 1.00 0.00 H new ATOM 498 N GLY A 43 4.342 -8.389 1.341 1.00 0.00 N ATOM 499 CA GLY A 43 5.517 -8.551 2.221 1.00 0.00 C ATOM 500 C GLY A 43 5.909 -7.160 2.726 1.00 0.00 C ATOM 501 O GLY A 43 6.522 -7.011 3.766 1.00 0.00 O ATOM 0 H GLY A 43 4.548 -8.329 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.282 -9.210 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.343 -9.008 1.677 1.00 0.00 H new ATOM 505 N SER A 44 5.543 -6.134 1.992 1.00 0.00 N ATOM 506 CA SER A 44 5.872 -4.744 2.416 1.00 0.00 C ATOM 507 C SER A 44 4.593 -3.896 2.388 1.00 0.00 C ATOM 508 O SER A 44 3.880 -3.856 1.402 1.00 0.00 O ATOM 509 CB SER A 44 6.906 -4.150 1.457 1.00 0.00 C ATOM 510 OG SER A 44 7.884 -5.135 1.156 1.00 0.00 O ATOM 0 H SER A 44 5.028 -6.205 1.114 1.00 0.00 H new ATOM 0 HA SER A 44 6.283 -4.752 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.419 -3.812 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.378 -3.277 1.908 1.00 0.00 H new ATOM 0 HG SER A 44 8.548 -4.760 0.540 1.00 0.00 H new ATOM 516 N ALA A 45 4.290 -3.225 3.466 1.00 0.00 N ATOM 517 CA ALA A 45 3.058 -2.388 3.500 1.00 0.00 C ATOM 518 C ALA A 45 3.329 -1.047 2.819 1.00 0.00 C ATOM 519 O ALA A 45 3.038 -0.860 1.649 1.00 0.00 O ATOM 520 CB ALA A 45 2.635 -2.161 4.954 1.00 0.00 C ATOM 0 H ALA A 45 4.842 -3.221 4.324 1.00 0.00 H new ATOM 0 HA ALA A 45 2.255 -2.900 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.734 -1.549 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.435 -3.121 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.435 -1.651 5.490 1.00 0.00 H new ATOM 526 N GLU A 46 3.883 -0.120 3.555 1.00 0.00 N ATOM 527 CA GLU A 46 4.192 1.230 2.992 1.00 0.00 C ATOM 528 C GLU A 46 5.129 1.083 1.797 1.00 0.00 C ATOM 529 O GLU A 46 5.875 0.129 1.695 1.00 0.00 O ATOM 530 CB GLU A 46 4.862 2.095 4.068 1.00 0.00 C ATOM 531 CG GLU A 46 6.240 1.522 4.431 1.00 0.00 C ATOM 532 CD GLU A 46 6.132 0.646 5.683 1.00 0.00 C ATOM 533 OE1 GLU A 46 5.203 0.844 6.450 1.00 0.00 O ATOM 534 OE2 GLU A 46 6.984 -0.212 5.854 1.00 0.00 O ATOM 0 H GLU A 46 4.138 -0.241 4.535 1.00 0.00 H new ATOM 0 HA GLU A 46 3.267 1.708 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.970 3.118 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.232 2.135 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.629 0.935 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.946 2.334 4.606 1.00 0.00 H new ATOM 541 N VAL A 47 5.077 2.001 0.868 1.00 0.00 N ATOM 542 CA VAL A 47 5.949 1.877 -0.331 1.00 0.00 C ATOM 543 C VAL A 47 6.560 3.221 -0.718 1.00 0.00 C ATOM 544 O VAL A 47 5.872 4.117 -1.153 1.00 0.00 O ATOM 545 CB VAL A 47 5.095 1.390 -1.490 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.974 1.156 -2.713 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.408 0.088 -1.099 1.00 0.00 C ATOM 0 H VAL A 47 4.474 2.823 0.889 1.00 0.00 H new ATOM 0 HA VAL A 47 6.757 1.182 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 47 4.343 2.142 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.358 0.807 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.464 2.089 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.729 0.405 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.795 -0.263 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.161 -0.663 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.776 0.258 -0.227 1.00 0.00 H new ATOM 557 N ASP A 48 7.853 3.354 -0.607 1.00 0.00 N ATOM 558 CA ASP A 48 8.508 4.629 -1.016 1.00 0.00 C ATOM 559 C ASP A 48 9.002 4.467 -2.456 1.00 0.00 C ATOM 560 O ASP A 48 9.972 3.783 -2.712 1.00 0.00 O ATOM 561 CB ASP A 48 9.694 4.920 -0.096 1.00 0.00 C ATOM 562 CG ASP A 48 9.395 6.164 0.739 1.00 0.00 C ATOM 563 OD1 ASP A 48 9.251 7.226 0.154 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.317 6.037 1.949 1.00 0.00 O ATOM 0 H ASP A 48 8.484 2.636 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 48 7.801 5.456 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.880 4.067 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.597 5.073 -0.686 1.00 0.00 H new ATOM 569 N ALA A 49 8.329 5.066 -3.402 1.00 0.00 N ATOM 570 CA ALA A 49 8.756 4.912 -4.824 1.00 0.00 C ATOM 571 C ALA A 49 9.131 6.263 -5.434 1.00 0.00 C ATOM 572 O ALA A 49 8.868 7.311 -4.875 1.00 0.00 O ATOM 573 CB ALA A 49 7.609 4.310 -5.629 1.00 0.00 C ATOM 0 H ALA A 49 7.507 5.652 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 49 9.629 4.260 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.915 4.195 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.348 3.335 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.742 4.969 -5.577 1.00 0.00 H new ATOM 579 N ALA A 50 9.742 6.236 -6.592 1.00 0.00 N ATOM 580 CA ALA A 50 10.143 7.503 -7.265 1.00 0.00 C ATOM 581 C ALA A 50 9.166 7.818 -8.403 1.00 0.00 C ATOM 582 O ALA A 50 8.515 6.933 -8.954 1.00 0.00 O ATOM 583 CB ALA A 50 11.554 7.357 -7.839 1.00 0.00 C ATOM 0 H ALA A 50 9.980 5.384 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 50 10.126 8.313 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.845 8.285 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.254 7.139 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.570 6.543 -8.563 1.00 0.00 H new ATOM 589 N GLY A 51 9.058 9.078 -8.758 1.00 0.00 N ATOM 590 CA GLY A 51 8.129 9.475 -9.851 1.00 0.00 C ATOM 591 C GLY A 51 6.788 8.786 -9.634 1.00 0.00 C ATOM 592 O GLY A 51 6.452 8.424 -8.528 1.00 0.00 O ATOM 0 H GLY A 51 9.577 9.846 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.999 10.557 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.544 9.195 -10.819 1.00 0.00 H new ATOM 596 N PRO A 52 6.064 8.618 -10.694 1.00 0.00 N ATOM 597 CA PRO A 52 4.766 7.949 -10.659 1.00 0.00 C ATOM 598 C PRO A 52 4.934 6.436 -10.881 1.00 0.00 C ATOM 599 O PRO A 52 4.160 5.842 -11.601 1.00 0.00 O ATOM 600 CB PRO A 52 4.034 8.560 -11.855 1.00 0.00 C ATOM 601 CG PRO A 52 5.133 9.069 -12.826 1.00 0.00 C ATOM 602 CD PRO A 52 6.449 9.118 -12.024 1.00 0.00 C ATOM 0 HA PRO A 52 4.247 8.075 -9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.398 7.820 -12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.386 9.377 -11.538 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.228 8.404 -13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.880 10.056 -13.213 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.219 8.495 -12.479 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.849 10.131 -11.971 1.00 0.00 H new ATOM 610 N ALA A 53 5.935 5.789 -10.316 1.00 0.00 N ATOM 611 CA ALA A 53 6.057 4.322 -10.600 1.00 0.00 C ATOM 612 C ALA A 53 6.550 3.524 -9.386 1.00 0.00 C ATOM 613 O ALA A 53 7.235 4.028 -8.520 1.00 0.00 O ATOM 614 CB ALA A 53 7.023 4.116 -11.765 1.00 0.00 C ATOM 0 H ALA A 53 6.640 6.192 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 53 5.062 3.953 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.116 3.051 -11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.643 4.629 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.001 4.521 -11.503 1.00 0.00 H new ATOM 620 N ALA A 54 6.196 2.259 -9.351 1.00 0.00 N ATOM 621 CA ALA A 54 6.612 1.350 -8.237 1.00 0.00 C ATOM 622 C ALA A 54 6.150 -0.066 -8.586 1.00 0.00 C ATOM 623 O ALA A 54 5.219 -0.238 -9.337 1.00 0.00 O ATOM 624 CB ALA A 54 5.944 1.779 -6.933 1.00 0.00 C ATOM 0 H ALA A 54 5.623 1.811 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 54 7.694 1.390 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.253 1.111 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.240 2.800 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.861 1.733 -7.047 1.00 0.00 H new ATOM 630 N SER A 55 6.778 -1.084 -8.062 1.00 0.00 N ATOM 631 CA SER A 55 6.335 -2.471 -8.403 1.00 0.00 C ATOM 632 C SER A 55 5.805 -3.191 -7.163 1.00 0.00 C ATOM 633 O SER A 55 6.152 -2.872 -6.047 1.00 0.00 O ATOM 634 CB SER A 55 7.497 -3.256 -8.990 1.00 0.00 C ATOM 635 OG SER A 55 8.659 -2.441 -9.002 1.00 0.00 O ATOM 0 H SER A 55 7.569 -1.020 -7.421 1.00 0.00 H new ATOM 0 HA SER A 55 5.532 -2.404 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.677 -4.156 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.256 -3.580 -10.002 1.00 0.00 H new ATOM 0 HG SER A 55 9.409 -2.947 -9.379 1.00 0.00 H new ATOM 641 N HIS A 56 4.952 -4.160 -7.368 1.00 0.00 N ATOM 642 CA HIS A 56 4.364 -4.912 -6.226 1.00 0.00 C ATOM 643 C HIS A 56 4.991 -6.302 -6.111 1.00 0.00 C ATOM 644 O HIS A 56 5.272 -6.954 -7.096 1.00 0.00 O ATOM 645 CB HIS A 56 2.868 -5.072 -6.468 1.00 0.00 C ATOM 646 CG HIS A 56 2.132 -3.970 -5.769 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.145 -2.660 -6.223 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.349 -3.972 -4.651 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.385 -1.937 -5.379 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.872 -2.693 -4.408 1.00 0.00 N ATOM 0 H HIS A 56 4.636 -4.464 -8.289 1.00 0.00 H new ATOM 0 HA HIS A 56 4.555 -4.361 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.656 -5.045 -7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.530 -6.041 -6.100 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.639 -2.309 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.133 -4.840 -4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.212 -0.875 -5.477 1.00 0.00 H new ATOM 658 N ARG A 57 5.183 -6.763 -4.905 1.00 0.00 N ATOM 659 CA ARG A 57 5.768 -8.119 -4.694 1.00 0.00 C ATOM 660 C ARG A 57 4.717 -9.008 -4.024 1.00 0.00 C ATOM 661 O ARG A 57 4.566 -9.009 -2.821 1.00 0.00 O ATOM 662 CB ARG A 57 7.008 -8.018 -3.796 1.00 0.00 C ATOM 663 CG ARG A 57 6.696 -7.174 -2.555 1.00 0.00 C ATOM 664 CD ARG A 57 7.711 -6.035 -2.439 1.00 0.00 C ATOM 665 NE ARG A 57 7.612 -5.148 -3.631 1.00 0.00 N ATOM 666 CZ ARG A 57 8.647 -4.447 -4.012 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.457 -3.937 -3.123 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.872 -4.257 -5.283 1.00 0.00 N ATOM 0 H ARG A 57 4.958 -6.255 -4.050 1.00 0.00 H new ATOM 0 HA ARG A 57 6.062 -8.547 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.330 -9.015 -3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.832 -7.571 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.686 -6.769 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.730 -7.797 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.525 -5.461 -1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.719 -6.441 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 57 6.736 -5.088 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.282 -4.086 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.264 -3.390 -3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.240 -4.655 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.679 -3.710 -5.582 1.00 0.00 H new ATOM 682 N TYR A 58 3.979 -9.755 -4.797 1.00 0.00 N ATOM 683 CA TYR A 58 2.925 -10.623 -4.200 1.00 0.00 C ATOM 684 C TYR A 58 3.444 -12.055 -4.077 1.00 0.00 C ATOM 685 O TYR A 58 3.936 -12.629 -5.025 1.00 0.00 O ATOM 686 CB TYR A 58 1.685 -10.558 -5.091 1.00 0.00 C ATOM 687 CG TYR A 58 1.044 -9.215 -4.907 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.755 -8.772 -3.616 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.725 -8.422 -6.013 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.147 -7.536 -3.423 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.109 -7.183 -5.819 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.180 -6.742 -4.519 1.00 0.00 C ATOM 693 OH TYR A 58 -0.801 -5.531 -4.314 1.00 0.00 O ATOM 0 H TYR A 58 4.059 -9.802 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 58 2.664 -10.277 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.959 -10.708 -6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.986 -11.352 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.004 -9.389 -2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.953 -8.765 -7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.071 -7.192 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.144 -6.566 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.722 -5.279 -3.370 1.00 0.00 H new ATOM 703 N VAL A 59 3.362 -12.627 -2.901 1.00 0.00 N ATOM 704 CA VAL A 59 3.883 -14.013 -2.709 1.00 0.00 C ATOM 705 C VAL A 59 2.771 -14.978 -2.262 1.00 0.00 C ATOM 706 O VAL A 59 2.815 -16.151 -2.570 1.00 0.00 O ATOM 707 CB VAL A 59 4.990 -13.991 -1.653 1.00 0.00 C ATOM 708 CG1 VAL A 59 6.011 -12.911 -2.013 1.00 0.00 C ATOM 709 CG2 VAL A 59 4.392 -13.684 -0.278 1.00 0.00 C ATOM 0 H VAL A 59 2.958 -12.195 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 59 4.273 -14.366 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 59 5.478 -14.965 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.801 -12.893 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.443 -13.130 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.517 -11.940 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.186 -13.670 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.901 -12.711 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.663 -14.452 -0.019 1.00 0.00 H new ATOM 719 N LEU A 60 1.785 -14.517 -1.536 1.00 0.00 N ATOM 720 CA LEU A 60 0.706 -15.448 -1.087 1.00 0.00 C ATOM 721 C LEU A 60 -0.477 -15.350 -2.054 1.00 0.00 C ATOM 722 O LEU A 60 -0.813 -14.278 -2.510 1.00 0.00 O ATOM 723 CB LEU A 60 0.272 -15.067 0.339 1.00 0.00 C ATOM 724 CG LEU A 60 -1.040 -15.763 0.707 1.00 0.00 C ATOM 725 CD1 LEU A 60 -0.746 -16.951 1.626 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.948 -14.773 1.437 1.00 0.00 C ATOM 0 H LEU A 60 1.680 -13.547 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 60 1.071 -16.475 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.050 -15.347 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.149 -13.986 0.411 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.533 -16.116 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.680 -17.448 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.093 -17.656 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.256 -16.597 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.884 -15.265 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.453 -14.425 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.155 -13.923 0.788 1.00 0.00 H new ATOM 738 N PRO A 61 -1.072 -16.479 -2.343 1.00 0.00 N ATOM 739 CA PRO A 61 -2.222 -16.550 -3.260 1.00 0.00 C ATOM 740 C PRO A 61 -3.475 -15.985 -2.594 1.00 0.00 C ATOM 741 O PRO A 61 -3.762 -16.257 -1.445 1.00 0.00 O ATOM 742 CB PRO A 61 -2.362 -18.047 -3.550 1.00 0.00 C ATOM 743 CG PRO A 61 -1.665 -18.781 -2.382 1.00 0.00 C ATOM 744 CD PRO A 61 -0.665 -17.781 -1.774 1.00 0.00 C ATOM 0 HA PRO A 61 -2.085 -15.965 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.411 -18.333 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.899 -18.304 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.392 -19.104 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.153 -19.676 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.718 -17.775 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.362 -18.030 -2.042 1.00 0.00 H new ATOM 752 N GLY A 62 -4.216 -15.188 -3.312 1.00 0.00 N ATOM 753 CA GLY A 62 -5.451 -14.584 -2.737 1.00 0.00 C ATOM 754 C GLY A 62 -5.671 -13.208 -3.368 1.00 0.00 C ATOM 755 O GLY A 62 -5.461 -13.021 -4.548 1.00 0.00 O ATOM 0 H GLY A 62 -4.018 -14.927 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.310 -15.228 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.357 -14.492 -1.655 1.00 0.00 H new ATOM 759 N ARG A 63 -6.087 -12.242 -2.593 1.00 0.00 N ATOM 760 CA ARG A 63 -6.310 -10.879 -3.159 1.00 0.00 C ATOM 761 C ARG A 63 -5.591 -9.840 -2.295 1.00 0.00 C ATOM 762 O ARG A 63 -5.623 -9.895 -1.082 1.00 0.00 O ATOM 763 CB ARG A 63 -7.808 -10.562 -3.181 1.00 0.00 C ATOM 764 CG ARG A 63 -8.571 -11.710 -3.841 1.00 0.00 C ATOM 765 CD ARG A 63 -9.499 -12.360 -2.814 1.00 0.00 C ATOM 766 NE ARG A 63 -9.856 -13.731 -3.271 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.039 -13.967 -3.765 1.00 0.00 C ATOM 768 NH1 ARG A 63 -12.046 -14.195 -2.968 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.215 -13.975 -5.058 1.00 0.00 N ATOM 0 H ARG A 63 -6.282 -12.337 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.917 -10.849 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.171 -10.409 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.985 -9.635 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.150 -11.338 -4.686 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.871 -12.448 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.009 -12.405 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.400 -11.760 -2.690 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.174 -14.486 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.908 -14.189 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.971 -14.380 -3.355 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.427 -13.797 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.140 -14.160 -5.446 1.00 0.00 H new ATOM 783 N TYR A 64 -4.948 -8.888 -2.914 1.00 0.00 N ATOM 784 CA TYR A 64 -4.233 -7.839 -2.136 1.00 0.00 C ATOM 785 C TYR A 64 -4.855 -6.475 -2.430 1.00 0.00 C ATOM 786 O TYR A 64 -5.499 -6.279 -3.445 1.00 0.00 O ATOM 787 CB TYR A 64 -2.771 -7.787 -2.559 1.00 0.00 C ATOM 788 CG TYR A 64 -2.017 -8.990 -2.049 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.970 -10.161 -2.814 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.325 -8.919 -0.833 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.229 -11.260 -2.364 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.593 -10.022 -0.380 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.541 -11.191 -1.147 1.00 0.00 C ATOM 794 OH TYR A 64 0.200 -12.271 -0.709 1.00 0.00 O ATOM 0 H TYR A 64 -4.887 -8.792 -3.928 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.311 -8.077 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.705 -7.746 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.310 -6.876 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.505 -10.217 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.357 -8.013 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.188 -12.162 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.068 -9.971 0.562 1.00 0.00 H new ATOM 0 HH TYR A 64 0.678 -12.029 0.112 1.00 0.00 H new ATOM 804 N HIS A 65 -4.644 -5.524 -1.561 1.00 0.00 N ATOM 805 CA HIS A 65 -5.196 -4.160 -1.791 1.00 0.00 C ATOM 806 C HIS A 65 -4.032 -3.188 -1.997 1.00 0.00 C ATOM 807 O HIS A 65 -3.123 -3.112 -1.196 1.00 0.00 O ATOM 808 CB HIS A 65 -6.023 -3.732 -0.579 1.00 0.00 C ATOM 809 CG HIS A 65 -6.592 -2.361 -0.818 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.948 -2.143 -0.998 1.00 0.00 N ATOM 811 CD2 HIS A 65 -5.999 -1.127 -0.906 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.123 -0.821 -1.182 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.966 -0.157 -1.136 1.00 0.00 N ATOM 0 H HIS A 65 -4.111 -5.634 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.836 -4.159 -2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.828 -4.446 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.401 -3.728 0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.940 -0.938 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.083 -0.354 -1.347 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.823 0.847 -1.246 1.00 0.00 H new ATOM 821 N VAL A 66 -4.046 -2.458 -3.076 1.00 0.00 N ATOM 822 CA VAL A 66 -2.936 -1.506 -3.355 1.00 0.00 C ATOM 823 C VAL A 66 -3.411 -0.062 -3.184 1.00 0.00 C ATOM 824 O VAL A 66 -4.562 0.251 -3.396 1.00 0.00 O ATOM 825 CB VAL A 66 -2.472 -1.695 -4.798 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.313 -0.742 -5.092 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.014 -3.133 -5.004 1.00 0.00 C ATOM 0 H VAL A 66 -4.783 -2.480 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.122 -1.702 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.299 -1.479 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.983 -0.878 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.643 0.287 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.486 -0.955 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.683 -3.266 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.188 -3.352 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.842 -3.812 -4.799 1.00 0.00 H new ATOM 837 N THR A 67 -2.515 0.821 -2.828 1.00 0.00 N ATOM 838 CA THR A 67 -2.878 2.260 -2.670 1.00 0.00 C ATOM 839 C THR A 67 -1.651 3.103 -3.025 1.00 0.00 C ATOM 840 O THR A 67 -0.544 2.604 -3.039 1.00 0.00 O ATOM 841 CB THR A 67 -3.297 2.556 -1.225 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.296 3.348 -0.599 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.478 1.254 -0.444 1.00 0.00 C ATOM 0 H THR A 67 -1.537 0.604 -2.638 1.00 0.00 H new ATOM 0 HA THR A 67 -3.715 2.499 -3.326 1.00 0.00 H new ATOM 0 HB THR A 67 -4.245 3.094 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.561 3.540 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.775 1.482 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.250 0.649 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.538 0.702 -0.434 1.00 0.00 H new ATOM 851 N ALA A 68 -1.822 4.369 -3.320 1.00 0.00 N ATOM 852 CA ALA A 68 -0.624 5.198 -3.673 1.00 0.00 C ATOM 853 C ALA A 68 -0.888 6.689 -3.459 1.00 0.00 C ATOM 854 O ALA A 68 -1.768 7.271 -4.049 1.00 0.00 O ATOM 855 CB ALA A 68 -0.255 4.981 -5.138 1.00 0.00 C ATOM 0 H ALA A 68 -2.718 4.857 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 68 0.191 4.886 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.616 5.587 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.025 3.928 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.093 5.273 -5.771 1.00 0.00 H new ATOM 861 N VAL A 69 -0.089 7.317 -2.649 1.00 0.00 N ATOM 862 CA VAL A 69 -0.247 8.780 -2.424 1.00 0.00 C ATOM 863 C VAL A 69 0.978 9.477 -3.010 1.00 0.00 C ATOM 864 O VAL A 69 2.071 9.364 -2.494 1.00 0.00 O ATOM 865 CB VAL A 69 -0.350 9.079 -0.922 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.728 8.308 -0.155 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.160 10.580 -0.690 1.00 0.00 C ATOM 0 H VAL A 69 0.672 6.879 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.158 9.139 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.332 8.769 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.645 8.528 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.594 7.238 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.713 8.608 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.233 10.795 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.821 10.883 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.933 11.132 -1.225 1.00 0.00 H new ATOM 877 N LEU A 70 0.822 10.183 -4.094 1.00 0.00 N ATOM 878 CA LEU A 70 2.009 10.855 -4.693 1.00 0.00 C ATOM 879 C LEU A 70 2.178 12.239 -4.086 1.00 0.00 C ATOM 880 O LEU A 70 1.219 12.907 -3.766 1.00 0.00 O ATOM 881 CB LEU A 70 1.860 11.033 -6.209 1.00 0.00 C ATOM 882 CG LEU A 70 0.723 10.199 -6.795 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.681 10.474 -8.292 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.968 8.707 -6.575 1.00 0.00 C ATOM 0 H LEU A 70 -0.061 10.323 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 70 2.872 10.221 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.684 12.086 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.795 10.757 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.215 10.466 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.122 9.893 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.502 11.536 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.633 10.190 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.143 8.136 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.900 8.416 -7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.036 8.503 -5.506 1.00 0.00 H new ATOM 896 N ALA A 71 3.393 12.688 -3.955 1.00 0.00 N ATOM 897 CA ALA A 71 3.619 14.047 -3.403 1.00 0.00 C ATOM 898 C ALA A 71 4.497 14.829 -4.369 1.00 0.00 C ATOM 899 O ALA A 71 5.636 14.489 -4.616 1.00 0.00 O ATOM 900 CB ALA A 71 4.309 13.973 -2.050 1.00 0.00 C ATOM 0 H ALA A 71 4.237 12.173 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 71 2.656 14.541 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.464 14.981 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.686 13.411 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.272 13.474 -2.159 1.00 0.00 H new ATOM 906 N LEU A 72 3.966 15.874 -4.912 1.00 0.00 N ATOM 907 CA LEU A 72 4.742 16.705 -5.870 1.00 0.00 C ATOM 908 C LEU A 72 5.208 17.982 -5.173 1.00 0.00 C ATOM 909 O LEU A 72 6.038 18.713 -5.676 1.00 0.00 O ATOM 910 CB LEU A 72 3.833 17.085 -7.035 1.00 0.00 C ATOM 911 CG LEU A 72 3.518 15.848 -7.882 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.272 15.147 -7.337 1.00 0.00 C ATOM 913 CD2 LEU A 72 3.258 16.280 -9.325 1.00 0.00 C ATOM 0 H LEU A 72 3.015 16.197 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 72 5.606 16.146 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.908 17.522 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.316 17.844 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 72 4.364 15.162 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.054 14.268 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.448 14.841 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.425 15.832 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.033 15.403 -9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.412 16.967 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.143 16.778 -9.721 1.00 0.00 H new ATOM 925 N GLY A 73 4.658 18.261 -4.029 1.00 0.00 N ATOM 926 CA GLY A 73 5.030 19.500 -3.291 1.00 0.00 C ATOM 927 C GLY A 73 3.800 20.400 -3.236 1.00 0.00 C ATOM 928 O GLY A 73 3.390 20.852 -2.187 1.00 0.00 O ATOM 0 H GLY A 73 3.959 17.679 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.370 19.257 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.853 20.009 -3.791 1.00 0.00 H new ATOM 932 N ALA A 74 3.196 20.645 -4.370 1.00 0.00 N ATOM 933 CA ALA A 74 1.976 21.499 -4.403 1.00 0.00 C ATOM 934 C ALA A 74 0.769 20.668 -4.859 1.00 0.00 C ATOM 935 O ALA A 74 -0.351 21.140 -4.860 1.00 0.00 O ATOM 936 CB ALA A 74 2.187 22.652 -5.382 1.00 0.00 C ATOM 0 H ALA A 74 3.498 20.288 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 74 1.790 21.892 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.294 23.277 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.040 23.250 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.378 22.253 -6.378 1.00 0.00 H new ATOM 942 N GLY A 75 0.981 19.437 -5.248 1.00 0.00 N ATOM 943 CA GLY A 75 -0.160 18.591 -5.705 1.00 0.00 C ATOM 944 C GLY A 75 0.067 17.141 -5.269 1.00 0.00 C ATOM 945 O GLY A 75 1.163 16.753 -4.920 1.00 0.00 O ATOM 0 H GLY A 75 1.894 18.982 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.094 18.965 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.254 18.645 -6.790 1.00 0.00 H new ATOM 949 N SER A 76 -0.967 16.341 -5.280 1.00 0.00 N ATOM 950 CA SER A 76 -0.819 14.916 -4.862 1.00 0.00 C ATOM 951 C SER A 76 -1.854 14.057 -5.592 1.00 0.00 C ATOM 952 O SER A 76 -2.759 14.562 -6.226 1.00 0.00 O ATOM 953 CB SER A 76 -1.050 14.811 -3.355 1.00 0.00 C ATOM 954 OG SER A 76 -2.431 14.583 -3.107 1.00 0.00 O ATOM 0 H SER A 76 -1.909 16.614 -5.561 1.00 0.00 H new ATOM 0 HA SER A 76 0.183 14.565 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.455 13.998 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.726 15.727 -2.861 1.00 0.00 H new ATOM 0 HG SER A 76 -2.583 14.513 -2.141 1.00 0.00 H new ATOM 960 N ALA A 77 -1.730 12.760 -5.505 1.00 0.00 N ATOM 961 CA ALA A 77 -2.710 11.869 -6.188 1.00 0.00 C ATOM 962 C ALA A 77 -2.980 10.642 -5.313 1.00 0.00 C ATOM 963 O ALA A 77 -2.073 10.058 -4.752 1.00 0.00 O ATOM 964 CB ALA A 77 -2.136 11.427 -7.531 1.00 0.00 C ATOM 0 H ALA A 77 -0.992 12.279 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.644 12.406 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.849 10.775 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.945 12.303 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.203 10.887 -7.368 1.00 0.00 H new ATOM 970 N LEU A 78 -4.223 10.252 -5.183 1.00 0.00 N ATOM 971 CA LEU A 78 -4.554 9.070 -4.333 1.00 0.00 C ATOM 972 C LEU A 78 -4.805 7.839 -5.208 1.00 0.00 C ATOM 973 O LEU A 78 -5.520 7.897 -6.190 1.00 0.00 O ATOM 974 CB LEU A 78 -5.808 9.376 -3.510 1.00 0.00 C ATOM 975 CG LEU A 78 -5.983 8.313 -2.423 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.326 8.994 -1.100 1.00 0.00 C ATOM 977 CD2 LEU A 78 -7.119 7.362 -2.808 1.00 0.00 C ATOM 0 H LEU A 78 -5.022 10.702 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.715 8.863 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.725 10.364 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.684 9.395 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.056 7.748 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.451 8.239 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.520 9.672 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.252 9.558 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.240 6.607 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.046 7.926 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.881 6.875 -3.754 1.00 0.00 H new ATOM 989 N LEU A 79 -4.207 6.730 -4.862 1.00 0.00 N ATOM 990 CA LEU A 79 -4.388 5.495 -5.667 1.00 0.00 C ATOM 991 C LEU A 79 -4.973 4.387 -4.805 1.00 0.00 C ATOM 992 O LEU A 79 -4.807 4.369 -3.601 1.00 0.00 O ATOM 993 CB LEU A 79 -3.021 5.040 -6.173 1.00 0.00 C ATOM 994 CG LEU A 79 -2.959 5.046 -7.699 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.711 3.622 -8.197 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.264 5.577 -8.285 1.00 0.00 C ATOM 0 H LEU A 79 -3.598 6.630 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.063 5.703 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.247 5.696 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.810 4.037 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.146 5.697 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.666 3.620 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.767 3.255 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.523 2.974 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.202 5.574 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.091 4.942 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.433 6.595 -7.934 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.641 3.453 -5.428 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.240 2.321 -4.673 1.00 0.00 C ATOM 1010 C GLY A 80 -6.565 1.173 -5.639 1.00 0.00 C ATOM 1011 O GLY A 80 -7.660 1.083 -6.157 1.00 0.00 O ATOM 0 H GLY A 80 -5.797 3.428 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.549 1.978 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.146 2.649 -4.164 1.00 0.00 H new ATOM 1015 N THR A 81 -5.626 0.292 -5.883 1.00 0.00 N ATOM 1016 CA THR A 81 -5.899 -0.846 -6.818 1.00 0.00 C ATOM 1017 C THR A 81 -6.094 -2.141 -6.021 1.00 0.00 C ATOM 1018 O THR A 81 -6.073 -2.143 -4.811 1.00 0.00 O ATOM 1019 CB THR A 81 -4.724 -1.033 -7.798 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.971 -2.177 -7.420 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.807 0.191 -7.794 1.00 0.00 C ATOM 0 H THR A 81 -4.689 0.310 -5.479 1.00 0.00 H new ATOM 0 HA THR A 81 -6.804 -0.618 -7.381 1.00 0.00 H new ATOM 0 HB THR A 81 -5.131 -1.162 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.838 -2.754 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.986 0.033 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.375 1.072 -8.093 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.405 0.342 -6.792 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.275 -3.242 -6.705 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.461 -4.555 -6.019 1.00 0.00 C ATOM 1031 C ASP A 82 -5.920 -5.650 -6.941 1.00 0.00 C ATOM 1032 O ASP A 82 -6.043 -5.559 -8.146 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.949 -4.796 -5.759 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.292 -4.400 -4.321 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.555 -3.229 -4.097 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.286 -5.274 -3.470 1.00 0.00 O ATOM 0 H ASP A 82 -6.302 -3.287 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.932 -4.562 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.549 -4.215 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.192 -5.846 -5.925 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.312 -6.680 -6.410 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.771 -7.740 -7.304 1.00 0.00 C ATOM 1043 C VAL A 83 -5.224 -9.119 -6.823 1.00 0.00 C ATOM 1044 O VAL A 83 -5.470 -9.331 -5.656 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.232 -7.691 -7.312 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.698 -6.754 -6.224 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.686 -9.087 -7.039 1.00 0.00 C ATOM 0 H VAL A 83 -5.169 -6.830 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.147 -7.565 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.913 -7.324 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.609 -6.742 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.077 -5.746 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.028 -7.106 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.596 -9.059 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.036 -9.431 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.034 -9.772 -7.812 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.316 -10.065 -7.721 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.728 -11.438 -7.321 1.00 0.00 C ATOM 1059 C GLN A 84 -4.588 -12.407 -7.650 1.00 0.00 C ATOM 1060 O GLN A 84 -4.403 -12.801 -8.784 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.987 -11.847 -8.088 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.628 -13.056 -7.403 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.968 -13.373 -8.069 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.897 -12.593 -7.995 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.108 -14.495 -8.720 1.00 0.00 N ATOM 0 H GLN A 84 -5.123 -9.943 -8.715 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.943 -11.463 -6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.693 -11.017 -8.120 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.735 -12.091 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.965 -13.918 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.777 -12.849 -6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.328 -15.149 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.997 -14.718 -9.167 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.815 -12.785 -6.670 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.684 -13.716 -6.934 1.00 0.00 C ATOM 1076 C VAL A 85 -3.200 -15.155 -7.000 1.00 0.00 C ATOM 1077 O VAL A 85 -4.008 -15.573 -6.194 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.649 -13.587 -5.818 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.648 -14.741 -5.902 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.910 -12.260 -5.980 1.00 0.00 C ATOM 0 H VAL A 85 -3.918 -12.490 -5.699 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.221 -13.462 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.149 -13.620 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.088 -14.643 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.176 -15.689 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.142 -14.714 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.168 -12.158 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.412 -12.237 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.622 -11.437 -5.919 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.737 -15.910 -7.960 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.192 -17.321 -8.097 1.00 0.00 C ATOM 1092 C GLU A 86 -1.983 -18.261 -8.007 1.00 0.00 C ATOM 1093 O GLU A 86 -0.958 -17.909 -7.458 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.874 -17.493 -9.454 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.936 -16.405 -9.632 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.659 -16.609 -10.964 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -5.008 -16.502 -11.990 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.851 -16.868 -10.937 1.00 0.00 O ATOM 0 H GLU A 86 -2.059 -15.606 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.894 -17.562 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.137 -17.431 -10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.334 -18.479 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.650 -16.441 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.470 -15.420 -9.606 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.094 -19.449 -8.556 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.963 -20.414 -8.522 1.00 0.00 C ATOM 1107 C ALA A 87 -0.592 -20.748 -7.074 1.00 0.00 C ATOM 1108 O ALA A 87 0.133 -20.027 -6.425 1.00 0.00 O ATOM 1109 CB ALA A 87 0.223 -19.795 -9.246 1.00 0.00 C ATOM 0 H ALA A 87 -2.931 -19.788 -9.029 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.252 -21.341 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.062 -20.490 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.052 -19.582 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.510 -18.869 -8.748 1.00 0.00 H new TER 1115 ALA A 87