USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 14 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 14:sc= 0.449! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.41) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -17:sc= 0.708 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.166 K(o=0.17,f=-2) USER MOD Single : A 54 CYS SG : rot -91:sc= -2.16 USER MOD Single : A 65 HIS : no HE2:sc= -2.46! C(o=-2.5!,f=-5.3!) USER MOD Single : A 67 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.12) USER MOD Single : A 70 SER OG : rot 42:sc= 0.22 USER MOD Single : A 71 THR OG1 : rot -41:sc= 0.752 USER MOD Single : A 72 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-0.75) USER MOD Single : A 78 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.8) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 99 SER OG : rot 27:sc= 0.392 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.727 -16.007 8.429 1.00 0.00 N ATOM 2 CA GLY A 1 -25.467 -15.826 7.013 1.00 0.00 C ATOM 3 C GLY A 1 -24.058 -16.228 6.627 1.00 0.00 C ATOM 4 O GLY A 1 -23.085 -15.645 7.106 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.703 -15.718 8.642 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.599 -17.008 8.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.065 -15.425 8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.180 -16.416 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.629 -14.781 6.747 1.00 0.00 H new ATOM 8 N SER A 2 -23.946 -17.228 5.758 1.00 0.00 N ATOM 9 CA SER A 2 -22.644 -17.711 5.312 1.00 0.00 C ATOM 10 C SER A 2 -22.208 -16.997 4.036 1.00 0.00 C ATOM 11 O SER A 2 -21.167 -16.342 4.003 1.00 0.00 O ATOM 12 CB SER A 2 -22.691 -19.221 5.074 1.00 0.00 C ATOM 13 OG SER A 2 -22.368 -19.934 6.256 1.00 0.00 O ATOM 0 H SER A 2 -24.741 -17.719 5.349 1.00 0.00 H new ATOM 0 HA SER A 2 -21.917 -17.496 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.686 -19.508 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.993 -19.489 4.281 1.00 0.00 H new ATOM 0 HG SER A 2 -22.407 -20.897 6.078 1.00 0.00 H new ATOM 19 N SER A 3 -23.014 -17.129 2.987 1.00 0.00 N ATOM 20 CA SER A 3 -22.711 -16.501 1.706 1.00 0.00 C ATOM 21 C SER A 3 -22.671 -14.982 1.843 1.00 0.00 C ATOM 22 O SER A 3 -23.640 -14.360 2.276 1.00 0.00 O ATOM 23 CB SER A 3 -23.750 -16.903 0.658 1.00 0.00 C ATOM 24 OG SER A 3 -24.993 -16.266 0.901 1.00 0.00 O ATOM 0 H SER A 3 -23.882 -17.665 2.999 1.00 0.00 H new ATOM 0 HA SER A 3 -21.729 -16.846 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.390 -16.637 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.884 -17.985 0.670 1.00 0.00 H new ATOM 0 HG SER A 3 -24.868 -15.541 1.548 1.00 0.00 H new ATOM 30 N GLY A 4 -21.541 -14.389 1.469 1.00 0.00 N ATOM 31 CA GLY A 4 -21.394 -12.948 1.557 1.00 0.00 C ATOM 32 C GLY A 4 -20.499 -12.389 0.469 1.00 0.00 C ATOM 33 O GLY A 4 -20.927 -12.227 -0.674 1.00 0.00 O ATOM 0 H GLY A 4 -20.725 -14.881 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.377 -12.481 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.982 -12.687 2.532 1.00 0.00 H new ATOM 37 N SER A 5 -19.253 -12.093 0.824 1.00 0.00 N ATOM 38 CA SER A 5 -18.296 -11.543 -0.130 1.00 0.00 C ATOM 39 C SER A 5 -17.117 -12.491 -0.324 1.00 0.00 C ATOM 40 O SER A 5 -17.029 -13.531 0.328 1.00 0.00 O ATOM 41 CB SER A 5 -17.795 -10.179 0.347 1.00 0.00 C ATOM 42 OG SER A 5 -18.678 -9.144 -0.050 1.00 0.00 O ATOM 0 H SER A 5 -18.882 -12.225 1.765 1.00 0.00 H new ATOM 0 HA SER A 5 -18.803 -11.421 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.699 -10.183 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.802 -9.990 -0.060 1.00 0.00 H new ATOM 0 HG SER A 5 -18.336 -8.282 0.268 1.00 0.00 H new ATOM 48 N SER A 6 -16.213 -12.124 -1.227 1.00 0.00 N ATOM 49 CA SER A 6 -15.041 -12.943 -1.512 1.00 0.00 C ATOM 50 C SER A 6 -14.034 -12.866 -0.368 1.00 0.00 C ATOM 51 O SER A 6 -13.595 -11.782 0.016 1.00 0.00 O ATOM 52 CB SER A 6 -14.382 -12.492 -2.817 1.00 0.00 C ATOM 53 OG SER A 6 -15.239 -12.717 -3.924 1.00 0.00 O ATOM 0 H SER A 6 -16.270 -11.265 -1.774 1.00 0.00 H new ATOM 0 HA SER A 6 -15.368 -13.977 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.132 -11.433 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.446 -13.032 -2.961 1.00 0.00 H new ATOM 0 HG SER A 6 -14.796 -12.419 -4.746 1.00 0.00 H new ATOM 59 N GLY A 7 -13.671 -14.025 0.173 1.00 0.00 N ATOM 60 CA GLY A 7 -12.719 -14.068 1.267 1.00 0.00 C ATOM 61 C GLY A 7 -11.354 -14.560 0.829 1.00 0.00 C ATOM 62 O GLY A 7 -10.330 -14.042 1.272 1.00 0.00 O ATOM 0 H GLY A 7 -14.020 -14.935 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.621 -13.072 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.102 -14.720 2.052 1.00 0.00 H new ATOM 66 N GLN A 8 -11.340 -15.564 -0.042 1.00 0.00 N ATOM 67 CA GLN A 8 -10.090 -16.127 -0.538 1.00 0.00 C ATOM 68 C GLN A 8 -9.234 -15.053 -1.201 1.00 0.00 C ATOM 69 O GLN A 8 -9.493 -14.653 -2.335 1.00 0.00 O ATOM 70 CB GLN A 8 -10.373 -17.256 -1.531 1.00 0.00 C ATOM 71 CG GLN A 8 -9.118 -17.856 -2.144 1.00 0.00 C ATOM 72 CD GLN A 8 -9.415 -19.043 -3.038 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.360 -20.193 -2.601 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.733 -18.771 -4.298 1.00 0.00 N ATOM 0 H GLN A 8 -12.180 -16.004 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.540 -16.530 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.932 -18.043 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.011 -16.876 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.600 -17.091 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.442 -18.166 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.767 -17.803 -4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.944 -19.530 -4.946 1.00 0.00 H new ATOM 83 N ALA A 9 -8.214 -14.591 -0.485 1.00 0.00 N ATOM 84 CA ALA A 9 -7.319 -13.565 -1.005 1.00 0.00 C ATOM 85 C ALA A 9 -6.840 -13.915 -2.410 1.00 0.00 C ATOM 86 O ALA A 9 -5.840 -14.613 -2.579 1.00 0.00 O ATOM 87 CB ALA A 9 -6.133 -13.377 -0.072 1.00 0.00 C ATOM 0 H ALA A 9 -7.987 -14.911 0.457 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.874 -12.629 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.473 -12.608 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.489 -13.073 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.586 -14.316 0.014 1.00 0.00 H new ATOM 93 N SER A 10 -7.559 -13.425 -3.415 1.00 0.00 N ATOM 94 CA SER A 10 -7.208 -13.690 -4.806 1.00 0.00 C ATOM 95 C SER A 10 -6.079 -12.774 -5.266 1.00 0.00 C ATOM 96 O SER A 10 -6.321 -11.687 -5.790 1.00 0.00 O ATOM 97 CB SER A 10 -8.431 -13.504 -5.706 1.00 0.00 C ATOM 98 OG SER A 10 -9.159 -14.713 -5.836 1.00 0.00 O ATOM 0 H SER A 10 -8.388 -12.843 -3.292 1.00 0.00 H new ATOM 0 HA SER A 10 -6.866 -14.722 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.077 -12.730 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.113 -13.160 -6.690 1.00 0.00 H new ATOM 0 HG SER A 10 -9.936 -14.566 -6.415 1.00 0.00 H new ATOM 104 N GLY A 11 -4.843 -13.221 -5.065 1.00 0.00 N ATOM 105 CA GLY A 11 -3.694 -12.430 -5.464 1.00 0.00 C ATOM 106 C GLY A 11 -3.289 -11.421 -4.408 1.00 0.00 C ATOM 107 O GLY A 11 -2.745 -11.787 -3.365 1.00 0.00 O ATOM 0 H GLY A 11 -4.617 -14.117 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.854 -13.093 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.922 -11.907 -6.393 1.00 0.00 H new ATOM 111 N HIS A 12 -3.554 -10.146 -4.677 1.00 0.00 N ATOM 112 CA HIS A 12 -3.212 -9.081 -3.742 1.00 0.00 C ATOM 113 C HIS A 12 -4.317 -8.893 -2.706 1.00 0.00 C ATOM 114 O HIS A 12 -5.503 -8.934 -3.034 1.00 0.00 O ATOM 115 CB HIS A 12 -2.974 -7.771 -4.493 1.00 0.00 C ATOM 116 CG HIS A 12 -3.794 -7.637 -5.739 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.132 -7.304 -5.727 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.458 -7.791 -7.042 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.584 -7.262 -6.968 1.00 0.00 C ATOM 120 NE2 HIS A 12 -4.588 -7.553 -7.785 1.00 0.00 N ATOM 0 H HIS A 12 -4.004 -9.826 -5.535 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.296 -9.366 -3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.197 -6.936 -3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.918 -7.698 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.483 -8.052 -7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.596 -7.029 -7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.648 -7.594 -8.802 1.00 0.00 H new ATOM 129 N PHE A 13 -3.919 -8.687 -1.455 1.00 0.00 N ATOM 130 CA PHE A 13 -4.875 -8.495 -0.371 1.00 0.00 C ATOM 131 C PHE A 13 -4.882 -7.042 0.097 1.00 0.00 C ATOM 132 O PHE A 13 -3.965 -6.278 -0.203 1.00 0.00 O ATOM 133 CB PHE A 13 -4.540 -9.418 0.803 1.00 0.00 C ATOM 134 CG PHE A 13 -3.200 -9.139 1.421 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.078 -8.231 2.461 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.063 -9.785 0.964 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.846 -7.972 3.032 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.828 -9.530 1.531 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.720 -8.623 2.567 1.00 0.00 C ATOM 0 H PHE A 13 -2.941 -8.649 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.867 -8.743 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.311 -9.316 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.565 -10.452 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.955 -7.720 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.142 -10.496 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.764 -7.261 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.051 -10.039 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.243 -8.423 3.013 1.00 0.00 H new ATOM 149 N SER A 14 -5.925 -6.668 0.832 1.00 0.00 N ATOM 150 CA SER A 14 -6.055 -5.307 1.337 1.00 0.00 C ATOM 151 C SER A 14 -5.728 -5.246 2.826 1.00 0.00 C ATOM 152 O SER A 14 -5.745 -6.264 3.519 1.00 0.00 O ATOM 153 CB SER A 14 -7.471 -4.783 1.093 1.00 0.00 C ATOM 154 OG SER A 14 -7.897 -5.062 -0.229 1.00 0.00 O ATOM 0 H SER A 14 -6.692 -7.289 1.091 1.00 0.00 H new ATOM 0 HA SER A 14 -5.345 -4.678 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.159 -5.240 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.499 -3.708 1.268 1.00 0.00 H new ATOM 0 HG SER A 14 -8.853 -4.865 -0.313 1.00 0.00 H new ATOM 160 N VAL A 15 -5.430 -4.046 3.312 1.00 0.00 N ATOM 161 CA VAL A 15 -5.100 -3.850 4.719 1.00 0.00 C ATOM 162 C VAL A 15 -6.048 -2.852 5.373 1.00 0.00 C ATOM 163 O VAL A 15 -6.179 -1.716 4.918 1.00 0.00 O ATOM 164 CB VAL A 15 -3.651 -3.355 4.892 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.350 -3.089 6.359 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.671 -4.362 4.311 1.00 0.00 C ATOM 0 H VAL A 15 -5.410 -3.194 2.752 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.206 -4.819 5.206 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.538 -2.418 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.322 -2.740 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.031 -2.327 6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.480 -4.009 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.653 -3.996 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.782 -5.317 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.874 -4.496 3.249 1.00 0.00 H new ATOM 176 N GLU A 16 -6.708 -3.285 6.443 1.00 0.00 N ATOM 177 CA GLU A 16 -7.646 -2.428 7.159 1.00 0.00 C ATOM 178 C GLU A 16 -7.101 -2.057 8.536 1.00 0.00 C ATOM 179 O GLU A 16 -6.710 -2.926 9.316 1.00 0.00 O ATOM 180 CB GLU A 16 -8.999 -3.126 7.305 1.00 0.00 C ATOM 181 CG GLU A 16 -9.518 -3.725 6.009 1.00 0.00 C ATOM 182 CD GLU A 16 -11.031 -3.827 5.978 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.691 -2.786 5.780 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.554 -4.947 6.151 1.00 0.00 O ATOM 0 H GLU A 16 -6.611 -4.223 6.833 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.778 -1.513 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.912 -3.916 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.729 -2.410 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.181 -3.115 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.088 -4.717 5.874 1.00 0.00 H new ATOM 191 N LEU A 17 -7.078 -0.761 8.826 1.00 0.00 N ATOM 192 CA LEU A 17 -6.581 -0.273 10.108 1.00 0.00 C ATOM 193 C LEU A 17 -7.260 1.038 10.492 1.00 0.00 C ATOM 194 O LEU A 17 -7.636 1.831 9.629 1.00 0.00 O ATOM 195 CB LEU A 17 -5.065 -0.077 10.049 1.00 0.00 C ATOM 196 CG LEU A 17 -4.244 -1.307 9.660 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.807 -0.915 9.353 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.289 -2.350 10.767 1.00 0.00 C ATOM 0 H LEU A 17 -7.397 -0.029 8.191 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.815 -1.019 10.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.849 0.719 9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.725 0.268 11.025 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.680 -1.741 8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.238 -1.803 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.792 -0.205 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.359 -0.456 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.699 -3.218 10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.878 -1.926 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.322 -2.654 10.939 1.00 0.00 H new ATOM 210 N VAL A 18 -7.413 1.261 11.794 1.00 0.00 N ATOM 211 CA VAL A 18 -8.043 2.477 12.293 1.00 0.00 C ATOM 212 C VAL A 18 -6.999 3.482 12.766 1.00 0.00 C ATOM 213 O VAL A 18 -6.136 3.158 13.582 1.00 0.00 O ATOM 214 CB VAL A 18 -9.010 2.173 13.452 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.623 3.458 13.988 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.093 1.204 13.002 1.00 0.00 C ATOM 0 H VAL A 18 -7.109 0.615 12.522 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.606 2.906 11.464 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.446 1.704 14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.303 3.223 14.806 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.832 4.115 14.351 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.173 3.959 13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.767 1.000 13.834 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.655 1.644 12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.633 0.273 12.671 1.00 0.00 H new ATOM 226 N ARG A 19 -7.085 4.704 12.250 1.00 0.00 N ATOM 227 CA ARG A 19 -6.148 5.757 12.619 1.00 0.00 C ATOM 228 C ARG A 19 -6.036 5.878 14.136 1.00 0.00 C ATOM 229 O ARG A 19 -7.001 6.228 14.814 1.00 0.00 O ATOM 230 CB ARG A 19 -6.589 7.095 12.021 1.00 0.00 C ATOM 231 CG ARG A 19 -5.488 8.143 11.995 1.00 0.00 C ATOM 232 CD ARG A 19 -5.971 9.442 11.370 1.00 0.00 C ATOM 233 NE ARG A 19 -5.267 10.603 11.908 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.665 11.856 11.720 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.757 12.109 11.011 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.971 12.860 12.242 1.00 0.00 N ATOM 0 H ARG A 19 -7.795 4.989 11.575 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.169 5.493 12.219 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.945 6.929 11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.432 7.480 12.595 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.141 8.333 13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.635 7.763 11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.828 9.400 10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.041 9.553 11.546 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.423 10.443 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.293 11.340 10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.061 13.072 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.131 12.670 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.278 13.822 12.097 1.00 0.00 H new ATOM 250 N GLY A 20 -4.851 5.585 14.663 1.00 0.00 N ATOM 251 CA GLY A 20 -4.635 5.666 16.095 1.00 0.00 C ATOM 252 C GLY A 20 -4.522 7.096 16.585 1.00 0.00 C ATOM 253 O GLY A 20 -4.928 8.030 15.893 1.00 0.00 O ATOM 0 H GLY A 20 -4.037 5.293 14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.458 5.172 16.612 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.725 5.124 16.353 1.00 0.00 H new ATOM 257 N TYR A 21 -3.972 7.269 17.781 1.00 0.00 N ATOM 258 CA TYR A 21 -3.811 8.595 18.365 1.00 0.00 C ATOM 259 C TYR A 21 -2.997 9.500 17.444 1.00 0.00 C ATOM 260 O TYR A 21 -3.280 10.691 17.318 1.00 0.00 O ATOM 261 CB TYR A 21 -3.131 8.495 19.731 1.00 0.00 C ATOM 262 CG TYR A 21 -2.569 9.809 20.225 1.00 0.00 C ATOM 263 CD1 TYR A 21 -1.287 10.215 19.875 1.00 0.00 C ATOM 264 CD2 TYR A 21 -3.321 10.646 21.042 1.00 0.00 C ATOM 265 CE1 TYR A 21 -0.770 11.414 20.325 1.00 0.00 C ATOM 266 CE2 TYR A 21 -2.812 11.847 21.495 1.00 0.00 C ATOM 267 CZ TYR A 21 -1.536 12.227 21.135 1.00 0.00 C ATOM 268 OH TYR A 21 -1.025 13.423 21.584 1.00 0.00 O ATOM 0 H TYR A 21 -3.630 6.507 18.366 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.802 9.031 18.491 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.850 8.120 20.459 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.325 7.763 19.674 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.685 9.582 19.240 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.320 10.352 21.327 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.229 11.714 20.044 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.410 12.486 22.128 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.692 13.875 22.142 1.00 0.00 H new ATOM 278 N ALA A 22 -1.985 8.925 16.804 1.00 0.00 N ATOM 279 CA ALA A 22 -1.131 9.677 15.893 1.00 0.00 C ATOM 280 C ALA A 22 -0.920 8.919 14.587 1.00 0.00 C ATOM 281 O ALA A 22 0.015 8.129 14.460 1.00 0.00 O ATOM 282 CB ALA A 22 0.206 9.980 16.552 1.00 0.00 C ATOM 0 H ALA A 22 -1.736 7.940 16.899 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.630 10.618 15.660 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.834 10.542 15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.042 10.570 17.454 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.702 9.046 16.815 1.00 0.00 H new ATOM 288 N GLY A 23 -1.795 9.164 13.616 1.00 0.00 N ATOM 289 CA GLY A 23 -1.687 8.496 12.333 1.00 0.00 C ATOM 290 C GLY A 23 -1.781 6.988 12.455 1.00 0.00 C ATOM 291 O GLY A 23 -2.488 6.470 13.320 1.00 0.00 O ATOM 0 H GLY A 23 -2.577 9.814 13.696 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.477 8.854 11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.738 8.761 11.867 1.00 0.00 H new ATOM 295 N PHE A 24 -1.068 6.280 11.584 1.00 0.00 N ATOM 296 CA PHE A 24 -1.076 4.822 11.596 1.00 0.00 C ATOM 297 C PHE A 24 0.268 4.275 12.069 1.00 0.00 C ATOM 298 O PHE A 24 0.364 3.129 12.508 1.00 0.00 O ATOM 299 CB PHE A 24 -1.398 4.281 10.202 1.00 0.00 C ATOM 300 CG PHE A 24 -2.836 4.461 9.806 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.815 3.614 10.300 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.208 5.477 8.941 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.139 3.777 9.938 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.530 5.645 8.576 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.497 4.794 9.074 1.00 0.00 C ATOM 0 H PHE A 24 -0.478 6.693 10.862 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.848 4.493 12.292 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.763 4.782 9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.150 3.220 10.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.540 2.817 10.976 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.456 6.145 8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.893 3.110 10.330 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.807 6.442 7.901 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.531 4.923 8.789 1.00 0.00 H new ATOM 315 N GLY A 25 1.304 5.103 11.975 1.00 0.00 N ATOM 316 CA GLY A 25 2.628 4.685 12.395 1.00 0.00 C ATOM 317 C GLY A 25 3.292 3.764 11.390 1.00 0.00 C ATOM 318 O GLY A 25 4.154 2.961 11.747 1.00 0.00 O ATOM 0 H GLY A 25 1.250 6.056 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.253 5.565 12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.557 4.177 13.357 1.00 0.00 H new ATOM 322 N LEU A 26 2.888 3.878 10.129 1.00 0.00 N ATOM 323 CA LEU A 26 3.448 3.048 9.068 1.00 0.00 C ATOM 324 C LEU A 26 4.413 3.850 8.201 1.00 0.00 C ATOM 325 O LEU A 26 4.098 4.957 7.763 1.00 0.00 O ATOM 326 CB LEU A 26 2.329 2.468 8.203 1.00 0.00 C ATOM 327 CG LEU A 26 2.722 1.311 7.284 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.414 0.212 8.075 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.499 0.763 6.563 1.00 0.00 C ATOM 0 H LEU A 26 2.175 4.537 9.817 1.00 0.00 H new ATOM 0 HA LEU A 26 4.000 2.231 9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.528 2.128 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.919 3.270 7.589 1.00 0.00 H new ATOM 0 HG LEU A 26 3.421 1.687 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.686 -0.603 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.313 0.612 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.739 -0.162 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.798 -0.060 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.776 0.403 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.046 1.553 5.963 1.00 0.00 H new ATOM 341 N THR A 27 5.590 3.284 7.954 1.00 0.00 N ATOM 342 CA THR A 27 6.601 3.945 7.139 1.00 0.00 C ATOM 343 C THR A 27 6.948 3.111 5.910 1.00 0.00 C ATOM 344 O THR A 27 6.847 1.884 5.932 1.00 0.00 O ATOM 345 CB THR A 27 7.887 4.212 7.944 1.00 0.00 C ATOM 346 OG1 THR A 27 7.557 4.736 9.235 1.00 0.00 O ATOM 347 CG2 THR A 27 8.792 5.190 7.210 1.00 0.00 C ATOM 0 H THR A 27 5.867 2.368 8.307 1.00 0.00 H new ATOM 0 HA THR A 27 6.177 4.897 6.821 1.00 0.00 H new ATOM 0 HB THR A 27 8.419 3.268 8.061 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.380 4.901 9.741 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.693 5.363 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.065 4.775 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.266 6.134 7.066 1.00 0.00 H new ATOM 355 N LEU A 28 7.356 3.785 4.841 1.00 0.00 N ATOM 356 CA LEU A 28 7.719 3.105 3.602 1.00 0.00 C ATOM 357 C LEU A 28 9.109 3.528 3.136 1.00 0.00 C ATOM 358 O LEU A 28 9.425 4.716 3.092 1.00 0.00 O ATOM 359 CB LEU A 28 6.690 3.407 2.511 1.00 0.00 C ATOM 360 CG LEU A 28 5.425 2.547 2.526 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.294 3.249 1.791 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.700 1.184 1.908 1.00 0.00 C ATOM 0 H LEU A 28 7.444 4.801 4.807 1.00 0.00 H new ATOM 0 HA LEU A 28 7.731 2.032 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.395 4.453 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.173 3.290 1.541 1.00 0.00 H new ATOM 0 HG LEU A 28 5.121 2.399 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.402 2.622 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.080 4.201 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.588 3.427 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.789 0.585 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.029 1.312 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.479 0.677 2.477 1.00 0.00 H new ATOM 374 N GLY A 29 9.935 2.546 2.787 1.00 0.00 N ATOM 375 CA GLY A 29 11.280 2.837 2.327 1.00 0.00 C ATOM 376 C GLY A 29 11.495 2.445 0.878 1.00 0.00 C ATOM 377 O GLY A 29 11.315 1.285 0.508 1.00 0.00 O ATOM 0 H GLY A 29 9.697 1.555 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.479 3.902 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.998 2.307 2.954 1.00 0.00 H new ATOM 381 N GLY A 30 11.879 3.415 0.054 1.00 0.00 N ATOM 382 CA GLY A 30 12.110 3.146 -1.353 1.00 0.00 C ATOM 383 C GLY A 30 11.119 3.860 -2.250 1.00 0.00 C ATOM 384 O GLY A 30 10.752 5.006 -1.993 1.00 0.00 O ATOM 0 H GLY A 30 12.034 4.383 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.122 3.454 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.047 2.072 -1.530 1.00 0.00 H new ATOM 388 N GLY A 31 10.685 3.182 -3.308 1.00 0.00 N ATOM 389 CA GLY A 31 9.736 3.776 -4.232 1.00 0.00 C ATOM 390 C GLY A 31 10.416 4.469 -5.396 1.00 0.00 C ATOM 391 O GLY A 31 11.557 4.153 -5.735 1.00 0.00 O ATOM 0 H GLY A 31 10.974 2.232 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.071 3.001 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.115 4.495 -3.698 1.00 0.00 H new ATOM 395 N ARG A 32 9.715 5.415 -6.011 1.00 0.00 N ATOM 396 CA ARG A 32 10.257 6.153 -7.146 1.00 0.00 C ATOM 397 C ARG A 32 11.153 7.294 -6.674 1.00 0.00 C ATOM 398 O ARG A 32 10.730 8.147 -5.894 1.00 0.00 O ATOM 399 CB ARG A 32 9.123 6.705 -8.011 1.00 0.00 C ATOM 400 CG ARG A 32 9.508 6.900 -9.468 1.00 0.00 C ATOM 401 CD ARG A 32 9.472 5.587 -10.235 1.00 0.00 C ATOM 402 NE ARG A 32 8.139 5.294 -10.756 1.00 0.00 N ATOM 403 CZ ARG A 32 7.642 5.848 -11.856 1.00 0.00 C ATOM 404 NH1 ARG A 32 8.364 6.719 -12.548 1.00 0.00 N ATOM 405 NH2 ARG A 32 6.421 5.531 -12.266 1.00 0.00 N ATOM 0 H ARG A 32 8.770 5.689 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 32 10.857 5.465 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.272 6.026 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.795 7.660 -7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.827 7.613 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.508 7.330 -9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.183 5.630 -11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.792 4.776 -9.581 1.00 0.00 H new ATOM 0 HE ARG A 32 7.558 4.628 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.303 6.965 -12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.980 7.143 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.863 4.861 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.040 5.957 -13.111 1.00 0.00 H new ATOM 419 N ASP A 33 12.392 7.303 -7.153 1.00 0.00 N ATOM 420 CA ASP A 33 13.348 8.339 -6.781 1.00 0.00 C ATOM 421 C ASP A 33 13.755 9.165 -7.997 1.00 0.00 C ATOM 422 O ASP A 33 13.582 8.736 -9.138 1.00 0.00 O ATOM 423 CB ASP A 33 14.586 7.714 -6.137 1.00 0.00 C ATOM 424 CG ASP A 33 14.337 7.278 -4.706 1.00 0.00 C ATOM 425 OD1 ASP A 33 14.548 8.101 -3.791 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.933 6.114 -4.502 1.00 0.00 O ATOM 0 H ASP A 33 12.758 6.604 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 33 12.867 8.999 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.903 6.853 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.405 8.433 -6.157 1.00 0.00 H new ATOM 431 N VAL A 34 14.295 10.354 -7.746 1.00 0.00 N ATOM 432 CA VAL A 34 14.726 11.240 -8.820 1.00 0.00 C ATOM 433 C VAL A 34 15.663 10.521 -9.783 1.00 0.00 C ATOM 434 O VAL A 34 15.535 10.649 -11.001 1.00 0.00 O ATOM 435 CB VAL A 34 15.437 12.489 -8.265 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.935 13.369 -9.402 1.00 0.00 C ATOM 437 CG2 VAL A 34 14.508 13.267 -7.346 1.00 0.00 C ATOM 0 H VAL A 34 14.444 10.725 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 34 13.828 11.549 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 34 16.300 12.166 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.434 14.246 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.637 12.806 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.090 13.686 -10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.027 14.146 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.625 13.581 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.206 12.633 -6.513 1.00 0.00 H new ATOM 447 N ALA A 35 16.604 9.763 -9.230 1.00 0.00 N ATOM 448 CA ALA A 35 17.561 9.021 -10.041 1.00 0.00 C ATOM 449 C ALA A 35 17.586 7.547 -9.649 1.00 0.00 C ATOM 450 O ALA A 35 18.554 6.839 -9.921 1.00 0.00 O ATOM 451 CB ALA A 35 18.950 9.628 -9.906 1.00 0.00 C ATOM 0 H ALA A 35 16.724 9.647 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 35 17.246 9.088 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.655 9.064 -10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.928 10.665 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.264 9.591 -8.863 1.00 0.00 H new ATOM 457 N GLY A 36 16.514 7.092 -9.008 1.00 0.00 N ATOM 458 CA GLY A 36 16.434 5.705 -8.589 1.00 0.00 C ATOM 459 C GLY A 36 15.047 5.122 -8.775 1.00 0.00 C ATOM 460 O GLY A 36 14.052 5.846 -8.737 1.00 0.00 O ATOM 0 H GLY A 36 15.700 7.659 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.152 5.115 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.719 5.629 -7.540 1.00 0.00 H new ATOM 464 N ASP A 37 14.980 3.811 -8.979 1.00 0.00 N ATOM 465 CA ASP A 37 13.705 3.131 -9.173 1.00 0.00 C ATOM 466 C ASP A 37 13.615 1.884 -8.298 1.00 0.00 C ATOM 467 O ASP A 37 14.291 0.886 -8.550 1.00 0.00 O ATOM 468 CB ASP A 37 13.524 2.752 -10.643 1.00 0.00 C ATOM 469 CG ASP A 37 14.681 1.931 -11.177 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.719 2.529 -11.532 1.00 0.00 O ATOM 471 OD2 ASP A 37 14.550 0.691 -11.238 1.00 0.00 O ATOM 0 H ASP A 37 15.794 3.198 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 37 12.908 3.815 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.599 2.188 -10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.421 3.659 -11.239 1.00 0.00 H new ATOM 476 N THR A 38 12.778 1.949 -7.268 1.00 0.00 N ATOM 477 CA THR A 38 12.601 0.827 -6.354 1.00 0.00 C ATOM 478 C THR A 38 11.140 0.676 -5.945 1.00 0.00 C ATOM 479 O THR A 38 10.414 1.655 -5.774 1.00 0.00 O ATOM 480 CB THR A 38 13.463 0.993 -5.088 1.00 0.00 C ATOM 481 OG1 THR A 38 13.077 2.179 -4.385 1.00 0.00 O ATOM 482 CG2 THR A 38 14.940 1.066 -5.445 1.00 0.00 C ATOM 0 H THR A 38 12.211 2.767 -7.045 1.00 0.00 H new ATOM 0 HA THR A 38 12.920 -0.069 -6.887 1.00 0.00 H new ATOM 0 HB THR A 38 13.303 0.125 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.562 2.760 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.529 1.183 -4.535 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.237 0.149 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.114 1.918 -6.102 1.00 0.00 H new ATOM 490 N PRO A 39 10.697 -0.579 -5.784 1.00 0.00 N ATOM 491 CA PRO A 39 9.319 -0.888 -5.391 1.00 0.00 C ATOM 492 C PRO A 39 9.026 -0.495 -3.947 1.00 0.00 C ATOM 493 O PRO A 39 9.751 -0.878 -3.029 1.00 0.00 O ATOM 494 CB PRO A 39 9.234 -2.407 -5.559 1.00 0.00 C ATOM 495 CG PRO A 39 10.638 -2.884 -5.408 1.00 0.00 C ATOM 496 CD PRO A 39 11.508 -1.795 -5.971 1.00 0.00 C ATOM 0 HA PRO A 39 8.592 -0.338 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.582 -2.852 -4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.827 -2.675 -6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.876 -3.071 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.791 -3.821 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.460 -1.728 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.737 -1.967 -7.023 1.00 0.00 H new ATOM 504 N LEU A 40 7.958 0.272 -3.753 1.00 0.00 N ATOM 505 CA LEU A 40 7.568 0.718 -2.420 1.00 0.00 C ATOM 506 C LEU A 40 7.286 -0.473 -1.509 1.00 0.00 C ATOM 507 O LEU A 40 6.566 -1.397 -1.884 1.00 0.00 O ATOM 508 CB LEU A 40 6.333 1.615 -2.502 1.00 0.00 C ATOM 509 CG LEU A 40 6.590 3.082 -2.851 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.280 3.804 -3.124 1.00 0.00 C ATOM 511 CD2 LEU A 40 7.357 3.770 -1.730 1.00 0.00 C ATOM 0 H LEU A 40 7.347 0.598 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 40 8.396 1.288 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.655 1.199 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.816 1.576 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 40 7.196 3.119 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.483 4.846 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.769 3.327 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.647 3.758 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.531 4.813 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.776 3.722 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.313 3.269 -1.582 1.00 0.00 H new ATOM 523 N ALA A 41 7.858 -0.442 -0.310 1.00 0.00 N ATOM 524 CA ALA A 41 7.665 -1.516 0.656 1.00 0.00 C ATOM 525 C ALA A 41 7.817 -1.004 2.085 1.00 0.00 C ATOM 526 O ALA A 41 8.556 -0.052 2.338 1.00 0.00 O ATOM 527 CB ALA A 41 8.648 -2.647 0.392 1.00 0.00 C ATOM 0 H ALA A 41 8.459 0.315 0.015 1.00 0.00 H new ATOM 0 HA ALA A 41 6.650 -1.897 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.492 -3.442 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.490 -3.040 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.667 -2.271 0.478 1.00 0.00 H new ATOM 533 N VAL A 42 7.113 -1.640 3.015 1.00 0.00 N ATOM 534 CA VAL A 42 7.171 -1.249 4.419 1.00 0.00 C ATOM 535 C VAL A 42 8.610 -1.202 4.918 1.00 0.00 C ATOM 536 O VAL A 42 9.405 -2.099 4.636 1.00 0.00 O ATOM 537 CB VAL A 42 6.363 -2.216 5.304 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.461 -1.809 6.767 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.911 -2.266 4.852 1.00 0.00 C ATOM 0 H VAL A 42 6.495 -2.429 2.822 1.00 0.00 H new ATOM 0 HA VAL A 42 6.734 -0.253 4.489 1.00 0.00 H new ATOM 0 HB VAL A 42 6.786 -3.215 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.884 -2.504 7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.504 -1.830 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.065 -0.801 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.355 -2.954 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.473 -1.271 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.863 -2.609 3.818 1.00 0.00 H new ATOM 549 N ARG A 43 8.939 -0.151 5.661 1.00 0.00 N ATOM 550 CA ARG A 43 10.284 0.014 6.199 1.00 0.00 C ATOM 551 C ARG A 43 10.290 -0.174 7.713 1.00 0.00 C ATOM 552 O ARG A 43 10.815 -1.162 8.225 1.00 0.00 O ATOM 553 CB ARG A 43 10.833 1.397 5.843 1.00 0.00 C ATOM 554 CG ARG A 43 12.339 1.516 6.012 1.00 0.00 C ATOM 555 CD ARG A 43 12.711 1.911 7.432 1.00 0.00 C ATOM 556 NE ARG A 43 12.288 3.272 7.750 1.00 0.00 N ATOM 557 CZ ARG A 43 12.297 3.776 8.979 1.00 0.00 C ATOM 558 NH1 ARG A 43 12.705 3.035 10.000 1.00 0.00 N ATOM 559 NH2 ARG A 43 11.897 5.024 9.189 1.00 0.00 N ATOM 0 H ARG A 43 8.293 0.599 5.904 1.00 0.00 H new ATOM 0 HA ARG A 43 10.923 -0.748 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.572 1.627 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.345 2.144 6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.810 0.565 5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.727 2.257 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.251 1.215 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.790 1.827 7.561 1.00 0.00 H new ATOM 0 HE ARG A 43 11.968 3.868 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.013 2.075 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.711 3.425 10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.582 5.597 8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.904 5.410 10.133 1.00 0.00 H new ATOM 573 N GLY A 44 9.704 0.784 8.426 1.00 0.00 N ATOM 574 CA GLY A 44 9.653 0.706 9.874 1.00 0.00 C ATOM 575 C GLY A 44 8.234 0.684 10.404 1.00 0.00 C ATOM 576 O GLY A 44 7.325 1.245 9.791 1.00 0.00 O ATOM 0 H GLY A 44 9.264 1.613 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.175 -0.192 10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.183 1.558 10.299 1.00 0.00 H new ATOM 580 N LEU A 45 8.040 0.033 11.546 1.00 0.00 N ATOM 581 CA LEU A 45 6.720 -0.061 12.159 1.00 0.00 C ATOM 582 C LEU A 45 6.683 0.682 13.491 1.00 0.00 C ATOM 583 O LEU A 45 7.287 0.249 14.473 1.00 0.00 O ATOM 584 CB LEU A 45 6.338 -1.527 12.370 1.00 0.00 C ATOM 585 CG LEU A 45 5.752 -2.250 11.156 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.766 -3.755 11.373 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.338 -1.762 10.877 1.00 0.00 C ATOM 0 H LEU A 45 8.781 -0.438 12.066 1.00 0.00 H new ATOM 0 HA LEU A 45 6.000 0.403 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.225 -2.069 12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.614 -1.580 13.183 1.00 0.00 H new ATOM 0 HG LEU A 45 6.371 -2.024 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.345 -4.253 10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.792 -4.091 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.171 -4.001 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.936 -2.287 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.708 -1.958 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.356 -0.691 10.676 1.00 0.00 H new ATOM 599 N LEU A 46 5.969 1.802 13.517 1.00 0.00 N ATOM 600 CA LEU A 46 5.851 2.606 14.729 1.00 0.00 C ATOM 601 C LEU A 46 5.234 1.793 15.863 1.00 0.00 C ATOM 602 O LEU A 46 4.067 1.407 15.801 1.00 0.00 O ATOM 603 CB LEU A 46 5.004 3.850 14.458 1.00 0.00 C ATOM 604 CG LEU A 46 5.339 5.086 15.295 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.108 4.808 16.772 1.00 0.00 C ATOM 606 CD2 LEU A 46 6.777 5.521 15.051 1.00 0.00 C ATOM 0 H LEU A 46 5.463 2.174 12.713 1.00 0.00 H new ATOM 0 HA LEU A 46 6.852 2.914 15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.105 4.111 13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.957 3.596 14.625 1.00 0.00 H new ATOM 0 HG LEU A 46 4.678 5.898 14.991 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.351 5.698 17.352 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.063 4.544 16.933 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.744 3.982 17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.998 6.401 15.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.454 4.712 15.327 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.910 5.761 13.996 1.00 0.00 H new ATOM 618 N LYS A 47 6.025 1.539 16.900 1.00 0.00 N ATOM 619 CA LYS A 47 5.557 0.776 18.050 1.00 0.00 C ATOM 620 C LYS A 47 4.321 1.423 18.666 1.00 0.00 C ATOM 621 O LYS A 47 4.049 2.603 18.442 1.00 0.00 O ATOM 622 CB LYS A 47 6.665 0.666 19.100 1.00 0.00 C ATOM 623 CG LYS A 47 6.246 -0.088 20.350 1.00 0.00 C ATOM 624 CD LYS A 47 5.876 -1.528 20.035 1.00 0.00 C ATOM 625 CE LYS A 47 7.106 -2.360 19.708 1.00 0.00 C ATOM 626 NZ LYS A 47 7.832 -2.785 20.937 1.00 0.00 N ATOM 0 H LYS A 47 6.994 1.851 16.967 1.00 0.00 H new ATOM 0 HA LYS A 47 5.289 -0.223 17.707 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.526 0.167 18.656 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.988 1.668 19.382 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.059 -0.071 21.076 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.396 0.414 20.811 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.355 -1.966 20.887 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.185 -1.551 19.192 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.808 -3.241 19.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.776 -1.782 19.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.664 -3.350 20.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.139 -1.944 21.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.201 -3.358 21.533 1.00 0.00 H new ATOM 640 N ASP A 48 3.576 0.644 19.443 1.00 0.00 N ATOM 641 CA ASP A 48 2.370 1.143 20.094 1.00 0.00 C ATOM 642 C ASP A 48 1.388 1.698 19.066 1.00 0.00 C ATOM 643 O ASP A 48 0.568 2.560 19.379 1.00 0.00 O ATOM 644 CB ASP A 48 2.725 2.224 21.115 1.00 0.00 C ATOM 645 CG ASP A 48 3.132 1.644 22.455 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.574 0.596 22.842 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.008 2.239 23.118 1.00 0.00 O ATOM 0 H ASP A 48 3.786 -0.335 19.637 1.00 0.00 H new ATOM 0 HA ASP A 48 1.895 0.310 20.611 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.539 2.835 20.725 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.869 2.884 21.253 1.00 0.00 H new ATOM 652 N GLY A 49 1.480 1.198 17.838 1.00 0.00 N ATOM 653 CA GLY A 49 0.595 1.657 16.783 1.00 0.00 C ATOM 654 C GLY A 49 -0.288 0.549 16.244 1.00 0.00 C ATOM 655 O GLY A 49 -0.093 -0.629 16.542 1.00 0.00 O ATOM 0 H GLY A 49 2.151 0.484 17.555 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.031 2.464 17.164 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.190 2.072 15.969 1.00 0.00 H new ATOM 659 N PRO A 50 -1.287 0.926 15.432 1.00 0.00 N ATOM 660 CA PRO A 50 -2.224 -0.030 14.834 1.00 0.00 C ATOM 661 C PRO A 50 -1.563 -0.906 13.776 1.00 0.00 C ATOM 662 O PRO A 50 -1.844 -2.100 13.680 1.00 0.00 O ATOM 663 CB PRO A 50 -3.288 0.867 14.197 1.00 0.00 C ATOM 664 CG PRO A 50 -2.587 2.155 13.930 1.00 0.00 C ATOM 665 CD PRO A 50 -1.578 2.313 15.034 1.00 0.00 C ATOM 0 HA PRO A 50 -2.621 -0.727 15.572 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.676 0.429 13.277 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.137 1.010 14.865 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.100 2.139 12.955 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.290 2.988 13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.682 2.828 14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.979 2.894 15.865 1.00 0.00 H new ATOM 673 N ALA A 51 -0.682 -0.305 12.983 1.00 0.00 N ATOM 674 CA ALA A 51 0.021 -1.031 11.933 1.00 0.00 C ATOM 675 C ALA A 51 0.981 -2.058 12.524 1.00 0.00 C ATOM 676 O ALA A 51 1.236 -3.100 11.922 1.00 0.00 O ATOM 677 CB ALA A 51 0.771 -0.062 11.032 1.00 0.00 C ATOM 0 H ALA A 51 -0.438 0.683 13.048 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.719 -1.565 11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.291 -0.618 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.064 0.630 10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.496 0.498 11.623 1.00 0.00 H new ATOM 683 N GLN A 52 1.511 -1.755 13.705 1.00 0.00 N ATOM 684 CA GLN A 52 2.444 -2.651 14.376 1.00 0.00 C ATOM 685 C GLN A 52 1.702 -3.644 15.264 1.00 0.00 C ATOM 686 O GLN A 52 2.052 -4.823 15.321 1.00 0.00 O ATOM 687 CB GLN A 52 3.444 -1.850 15.211 1.00 0.00 C ATOM 688 CG GLN A 52 4.370 -2.716 16.049 1.00 0.00 C ATOM 689 CD GLN A 52 5.288 -3.576 15.202 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.373 -3.145 14.809 1.00 0.00 O ATOM 691 NE2 GLN A 52 4.858 -4.800 14.918 1.00 0.00 N ATOM 0 H GLN A 52 1.310 -0.896 14.216 1.00 0.00 H new ATOM 0 HA GLN A 52 2.985 -3.209 13.612 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.044 -1.229 14.546 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.897 -1.176 15.869 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.971 -2.078 16.697 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.774 -3.357 16.698 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.952 -5.116 15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.434 -5.425 14.353 1.00 0.00 H new ATOM 700 N ARG A 53 0.676 -3.160 15.956 1.00 0.00 N ATOM 701 CA ARG A 53 -0.115 -4.005 16.842 1.00 0.00 C ATOM 702 C ARG A 53 -0.828 -5.101 16.056 1.00 0.00 C ATOM 703 O ARG A 53 -0.749 -6.280 16.404 1.00 0.00 O ATOM 704 CB ARG A 53 -1.138 -3.162 17.606 1.00 0.00 C ATOM 705 CG ARG A 53 -0.557 -2.442 18.812 1.00 0.00 C ATOM 706 CD ARG A 53 -1.412 -1.252 19.216 1.00 0.00 C ATOM 707 NE ARG A 53 -1.260 -0.924 20.631 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.607 -1.744 21.617 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.123 -2.934 21.344 1.00 0.00 N ATOM 710 NH2 ARG A 53 -1.437 -1.374 22.880 1.00 0.00 N ATOM 0 H ARG A 53 0.373 -2.187 15.920 1.00 0.00 H new ATOM 0 HA ARG A 53 0.563 -4.476 17.554 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.569 -2.426 16.927 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.953 -3.806 17.936 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.479 -3.136 19.649 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.454 -2.104 18.583 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.138 -0.387 18.612 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.459 -1.470 19.005 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.866 -0.016 20.876 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.255 -3.223 20.375 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.388 -3.561 22.103 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.040 -0.459 23.094 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.704 -2.004 23.636 1.00 0.00 H new ATOM 724 N CYS A 54 -1.523 -4.705 14.996 1.00 0.00 N ATOM 725 CA CYS A 54 -2.252 -5.653 14.161 1.00 0.00 C ATOM 726 C CYS A 54 -1.332 -6.769 13.677 1.00 0.00 C ATOM 727 O CYS A 54 -1.763 -7.906 13.490 1.00 0.00 O ATOM 728 CB CYS A 54 -2.877 -4.935 12.964 1.00 0.00 C ATOM 729 SG CYS A 54 -1.672 -4.279 11.786 1.00 0.00 S ATOM 0 H CYS A 54 -1.597 -3.734 14.694 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.045 -6.096 14.764 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.538 -5.627 12.443 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.496 -4.115 13.328 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.377 -3.053 12.104 1.00 0.00 H new ATOM 735 N GLY A 55 -0.061 -6.436 13.474 1.00 0.00 N ATOM 736 CA GLY A 55 0.900 -7.420 13.011 1.00 0.00 C ATOM 737 C GLY A 55 0.540 -7.987 11.652 1.00 0.00 C ATOM 738 O GLY A 55 0.755 -9.170 11.389 1.00 0.00 O ATOM 0 H GLY A 55 0.320 -5.502 13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.888 -6.963 12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.962 -8.232 13.735 1.00 0.00 H new ATOM 742 N ARG A 56 -0.010 -7.142 10.787 1.00 0.00 N ATOM 743 CA ARG A 56 -0.403 -7.566 9.449 1.00 0.00 C ATOM 744 C ARG A 56 0.641 -7.148 8.417 1.00 0.00 C ATOM 745 O ARG A 56 0.972 -7.911 7.508 1.00 0.00 O ATOM 746 CB ARG A 56 -1.764 -6.973 9.081 1.00 0.00 C ATOM 747 CG ARG A 56 -2.925 -7.598 9.837 1.00 0.00 C ATOM 748 CD ARG A 56 -4.221 -7.500 9.048 1.00 0.00 C ATOM 749 NE ARG A 56 -4.400 -8.635 8.147 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.426 -8.755 7.311 1.00 0.00 C ATOM 751 NH1 ARG A 56 -6.359 -7.815 7.262 1.00 0.00 N ATOM 752 NH2 ARG A 56 -5.519 -9.818 6.522 1.00 0.00 N ATOM 0 H ARG A 56 -0.194 -6.159 10.989 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.476 -8.654 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.749 -5.901 9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.928 -7.099 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.703 -8.645 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.045 -7.099 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.063 -7.449 9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.225 -6.575 8.471 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.699 -9.376 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.291 -6.997 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.145 -7.910 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.803 -10.543 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.307 -9.910 5.881 1.00 0.00 H new ATOM 766 N LEU A 57 1.156 -5.932 8.564 1.00 0.00 N ATOM 767 CA LEU A 57 2.162 -5.412 7.645 1.00 0.00 C ATOM 768 C LEU A 57 3.569 -5.675 8.172 1.00 0.00 C ATOM 769 O LEU A 57 3.935 -5.210 9.251 1.00 0.00 O ATOM 770 CB LEU A 57 1.958 -3.911 7.430 1.00 0.00 C ATOM 771 CG LEU A 57 0.696 -3.507 6.669 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.253 -2.109 7.072 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.931 -3.582 5.167 1.00 0.00 C ATOM 0 H LEU A 57 0.894 -5.288 9.310 1.00 0.00 H new ATOM 0 HA LEU A 57 2.049 -5.928 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.942 -3.424 8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.822 -3.521 6.893 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.099 -4.206 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.647 -1.839 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.042 -2.088 8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.046 -1.396 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.022 -3.291 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.741 -2.907 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.199 -4.602 4.891 1.00 0.00 H new ATOM 785 N GLU A 58 4.354 -6.423 7.402 1.00 0.00 N ATOM 786 CA GLU A 58 5.721 -6.746 7.792 1.00 0.00 C ATOM 787 C GLU A 58 6.727 -5.983 6.934 1.00 0.00 C ATOM 788 O GLU A 58 6.462 -5.679 5.771 1.00 0.00 O ATOM 789 CB GLU A 58 5.968 -8.251 7.669 1.00 0.00 C ATOM 790 CG GLU A 58 5.050 -9.091 8.541 1.00 0.00 C ATOM 791 CD GLU A 58 5.514 -10.530 8.659 1.00 0.00 C ATOM 792 OE1 GLU A 58 5.366 -11.283 7.674 1.00 0.00 O ATOM 793 OE2 GLU A 58 6.024 -10.904 9.736 1.00 0.00 O ATOM 0 H GLU A 58 4.067 -6.816 6.506 1.00 0.00 H new ATOM 0 HA GLU A 58 5.855 -6.446 8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.839 -8.548 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.003 -8.464 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.994 -8.648 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.042 -9.071 8.126 1.00 0.00 H new ATOM 800 N VAL A 59 7.882 -5.677 7.517 1.00 0.00 N ATOM 801 CA VAL A 59 8.927 -4.951 6.807 1.00 0.00 C ATOM 802 C VAL A 59 9.364 -5.701 5.553 1.00 0.00 C ATOM 803 O VAL A 59 9.921 -6.795 5.634 1.00 0.00 O ATOM 804 CB VAL A 59 10.156 -4.716 7.705 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.295 -4.103 6.903 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.790 -3.832 8.887 1.00 0.00 C ATOM 0 H VAL A 59 8.117 -5.921 8.479 1.00 0.00 H new ATOM 0 HA VAL A 59 8.504 -3.988 6.522 1.00 0.00 H new ATOM 0 HB VAL A 59 10.492 -5.679 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.154 -3.944 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.573 -4.777 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.974 -3.148 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.670 -3.676 9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.428 -2.870 8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.009 -4.315 9.475 1.00 0.00 H new ATOM 816 N GLY A 60 9.106 -5.104 4.393 1.00 0.00 N ATOM 817 CA GLY A 60 9.479 -5.730 3.138 1.00 0.00 C ATOM 818 C GLY A 60 8.289 -5.956 2.227 1.00 0.00 C ATOM 819 O GLY A 60 8.450 -6.166 1.024 1.00 0.00 O ATOM 0 H GLY A 60 8.646 -4.199 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.210 -5.104 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.963 -6.685 3.342 1.00 0.00 H new ATOM 823 N ASP A 61 7.091 -5.915 2.799 1.00 0.00 N ATOM 824 CA ASP A 61 5.868 -6.118 2.030 1.00 0.00 C ATOM 825 C ASP A 61 5.821 -5.181 0.828 1.00 0.00 C ATOM 826 O ASP A 61 6.065 -3.980 0.953 1.00 0.00 O ATOM 827 CB ASP A 61 4.641 -5.895 2.915 1.00 0.00 C ATOM 828 CG ASP A 61 4.231 -7.148 3.664 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.959 -7.547 4.596 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.181 -7.728 3.317 1.00 0.00 O ATOM 0 H ASP A 61 6.940 -5.743 3.793 1.00 0.00 H new ATOM 0 HA ASP A 61 5.862 -7.146 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.853 -5.100 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.809 -5.555 2.298 1.00 0.00 H new ATOM 835 N LEU A 62 5.507 -5.737 -0.337 1.00 0.00 N ATOM 836 CA LEU A 62 5.429 -4.951 -1.564 1.00 0.00 C ATOM 837 C LEU A 62 4.039 -4.347 -1.736 1.00 0.00 C ATOM 838 O LEU A 62 3.031 -5.049 -1.651 1.00 0.00 O ATOM 839 CB LEU A 62 5.773 -5.821 -2.773 1.00 0.00 C ATOM 840 CG LEU A 62 6.997 -6.726 -2.623 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.064 -7.728 -3.765 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.271 -5.895 -2.564 1.00 0.00 C ATOM 0 H LEU A 62 5.302 -6.729 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 62 6.152 -4.138 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.910 -6.446 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.932 -5.168 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 62 6.904 -7.278 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.941 -8.363 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.166 -8.345 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.133 -7.195 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.132 -6.555 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.370 -5.315 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.225 -5.218 -1.711 1.00 0.00 H new ATOM 854 N VAL A 63 3.992 -3.042 -1.981 1.00 0.00 N ATOM 855 CA VAL A 63 2.726 -2.344 -2.169 1.00 0.00 C ATOM 856 C VAL A 63 2.381 -2.221 -3.649 1.00 0.00 C ATOM 857 O VAL A 63 3.131 -1.628 -4.426 1.00 0.00 O ATOM 858 CB VAL A 63 2.762 -0.937 -1.543 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.369 -0.328 -1.519 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.353 -0.993 -0.143 1.00 0.00 C ATOM 0 H VAL A 63 4.817 -2.446 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 63 1.960 -2.937 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 63 3.400 -0.301 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.414 0.666 -1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.987 -0.252 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.706 -0.960 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.371 0.009 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.743 -1.644 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.369 -1.385 -0.192 1.00 0.00 H new ATOM 870 N LEU A 64 1.241 -2.784 -4.034 1.00 0.00 N ATOM 871 CA LEU A 64 0.795 -2.737 -5.422 1.00 0.00 C ATOM 872 C LEU A 64 -0.084 -1.515 -5.671 1.00 0.00 C ATOM 873 O LEU A 64 0.157 -0.743 -6.599 1.00 0.00 O ATOM 874 CB LEU A 64 0.026 -4.012 -5.774 1.00 0.00 C ATOM 875 CG LEU A 64 0.860 -5.288 -5.889 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.759 -5.231 -7.114 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.686 -5.500 -4.628 1.00 0.00 C ATOM 0 H LEU A 64 0.609 -3.278 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 64 1.677 -2.663 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.741 -4.170 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.489 -3.852 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 64 0.181 -6.133 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.345 -6.148 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.147 -5.127 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.431 -4.376 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.274 -6.413 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.355 -4.652 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.022 -5.588 -3.768 1.00 0.00 H new ATOM 889 N HIS A 65 -1.102 -1.344 -4.834 1.00 0.00 N ATOM 890 CA HIS A 65 -2.015 -0.214 -4.961 1.00 0.00 C ATOM 891 C HIS A 65 -2.362 0.361 -3.591 1.00 0.00 C ATOM 892 O HIS A 65 -1.866 -0.108 -2.567 1.00 0.00 O ATOM 893 CB HIS A 65 -3.292 -0.641 -5.686 1.00 0.00 C ATOM 894 CG HIS A 65 -3.037 -1.318 -6.998 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.145 -0.837 -7.933 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.563 -2.447 -7.528 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.135 -1.639 -8.982 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.986 -2.624 -8.762 1.00 0.00 N ATOM 0 H HIS A 65 -1.315 -1.974 -4.060 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.516 0.560 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.858 -1.315 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.916 0.237 -5.854 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.581 0.007 -7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.299 -3.089 -7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.533 -1.511 -9.869 1.00 0.00 H new ATOM 907 N ILE A 66 -3.216 1.379 -3.581 1.00 0.00 N ATOM 908 CA ILE A 66 -3.629 2.017 -2.337 1.00 0.00 C ATOM 909 C ILE A 66 -5.043 2.577 -2.450 1.00 0.00 C ATOM 910 O ILE A 66 -5.334 3.381 -3.334 1.00 0.00 O ATOM 911 CB ILE A 66 -2.668 3.154 -1.942 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.266 2.600 -1.684 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.190 3.884 -0.713 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.221 3.673 -1.476 1.00 0.00 C ATOM 0 H ILE A 66 -3.635 1.780 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.606 1.248 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.610 3.865 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.295 1.957 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.970 1.975 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.501 4.685 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.171 4.307 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.273 3.184 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.748 3.207 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.164 4.302 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.493 4.284 -0.615 1.00 0.00 H new ATOM 926 N ASN A 67 -5.917 2.148 -1.545 1.00 0.00 N ATOM 927 CA ASN A 67 -7.301 2.607 -1.542 1.00 0.00 C ATOM 928 C ASN A 67 -7.982 2.294 -2.871 1.00 0.00 C ATOM 929 O ASN A 67 -8.698 3.127 -3.425 1.00 0.00 O ATOM 930 CB ASN A 67 -7.360 4.111 -1.268 1.00 0.00 C ATOM 931 CG ASN A 67 -7.211 4.437 0.206 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.162 4.319 0.979 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.012 4.850 0.601 1.00 0.00 N ATOM 0 H ASN A 67 -5.691 1.484 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.831 2.078 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.571 4.611 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.309 4.507 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.850 5.084 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.253 4.933 -0.075 1.00 0.00 H new ATOM 940 N GLY A 68 -7.753 1.086 -3.377 1.00 0.00 N ATOM 941 CA GLY A 68 -8.351 0.683 -4.636 1.00 0.00 C ATOM 942 C GLY A 68 -7.934 1.577 -5.788 1.00 0.00 C ATOM 943 O GLY A 68 -8.605 1.625 -6.818 1.00 0.00 O ATOM 0 H GLY A 68 -7.164 0.379 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.067 -0.346 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.437 0.700 -4.541 1.00 0.00 H new ATOM 947 N GLU A 69 -6.824 2.287 -5.612 1.00 0.00 N ATOM 948 CA GLU A 69 -6.321 3.185 -6.645 1.00 0.00 C ATOM 949 C GLU A 69 -4.929 2.759 -7.105 1.00 0.00 C ATOM 950 O GLU A 69 -3.993 2.697 -6.309 1.00 0.00 O ATOM 951 CB GLU A 69 -6.281 4.623 -6.126 1.00 0.00 C ATOM 952 CG GLU A 69 -5.909 5.644 -7.189 1.00 0.00 C ATOM 953 CD GLU A 69 -7.028 5.883 -8.184 1.00 0.00 C ATOM 954 OE1 GLU A 69 -8.147 6.225 -7.746 1.00 0.00 O ATOM 955 OE2 GLU A 69 -6.786 5.729 -9.399 1.00 0.00 O ATOM 0 H GLU A 69 -6.257 2.258 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.998 3.133 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.257 4.879 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.564 4.685 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.649 6.586 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.021 5.302 -7.721 1.00 0.00 H new ATOM 962 N SER A 70 -4.802 2.467 -8.396 1.00 0.00 N ATOM 963 CA SER A 70 -3.527 2.044 -8.962 1.00 0.00 C ATOM 964 C SER A 70 -2.485 3.151 -8.842 1.00 0.00 C ATOM 965 O SER A 70 -2.603 4.203 -9.473 1.00 0.00 O ATOM 966 CB SER A 70 -3.703 1.649 -10.429 1.00 0.00 C ATOM 967 OG SER A 70 -4.406 2.649 -11.146 1.00 0.00 O ATOM 0 H SER A 70 -5.567 2.516 -9.069 1.00 0.00 H new ATOM 0 HA SER A 70 -3.177 1.178 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.726 1.489 -10.885 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.243 0.704 -10.492 1.00 0.00 H new ATOM 0 HG SER A 70 -4.086 3.534 -10.872 1.00 0.00 H new ATOM 973 N THR A 71 -1.462 2.908 -8.028 1.00 0.00 N ATOM 974 CA THR A 71 -0.399 3.883 -7.824 1.00 0.00 C ATOM 975 C THR A 71 0.605 3.851 -8.971 1.00 0.00 C ATOM 976 O THR A 71 1.653 4.492 -8.907 1.00 0.00 O ATOM 977 CB THR A 71 0.345 3.634 -6.498 1.00 0.00 C ATOM 978 OG1 THR A 71 1.300 4.676 -6.269 1.00 0.00 O ATOM 979 CG2 THR A 71 1.052 2.287 -6.520 1.00 0.00 C ATOM 0 H THR A 71 -1.348 2.043 -7.499 1.00 0.00 H new ATOM 0 HA THR A 71 -0.873 4.864 -7.788 1.00 0.00 H new ATOM 0 HB THR A 71 -0.387 3.630 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.751 4.897 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.571 2.133 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.319 1.494 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.774 2.268 -7.336 1.00 0.00 H new ATOM 987 N GLN A 72 0.276 3.102 -10.018 1.00 0.00 N ATOM 988 CA GLN A 72 1.150 2.987 -11.179 1.00 0.00 C ATOM 989 C GLN A 72 1.527 4.364 -11.714 1.00 0.00 C ATOM 990 O GLN A 72 2.697 4.640 -11.977 1.00 0.00 O ATOM 991 CB GLN A 72 0.469 2.169 -12.278 1.00 0.00 C ATOM 992 CG GLN A 72 0.564 0.667 -12.065 1.00 0.00 C ATOM 993 CD GLN A 72 -0.353 -0.112 -12.987 1.00 0.00 C ATOM 994 OE1 GLN A 72 -1.391 0.390 -13.420 1.00 0.00 O ATOM 995 NE2 GLN A 72 0.026 -1.348 -13.294 1.00 0.00 N ATOM 0 H GLN A 72 -0.589 2.566 -10.086 1.00 0.00 H new ATOM 0 HA GLN A 72 2.061 2.476 -10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.582 2.454 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.919 2.421 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.593 0.345 -12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.315 0.434 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.894 -1.725 -12.913 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.551 -1.920 -13.911 1.00 0.00 H new ATOM 1004 N GLY A 73 0.528 5.226 -11.874 1.00 0.00 N ATOM 1005 CA GLY A 73 0.776 6.565 -12.378 1.00 0.00 C ATOM 1006 C GLY A 73 1.207 7.524 -11.287 1.00 0.00 C ATOM 1007 O GLY A 73 1.607 8.655 -11.566 1.00 0.00 O ATOM 0 H GLY A 73 -0.449 5.022 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.548 6.523 -13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.128 6.944 -12.854 1.00 0.00 H new ATOM 1011 N LEU A 74 1.125 7.075 -10.039 1.00 0.00 N ATOM 1012 CA LEU A 74 1.509 7.902 -8.901 1.00 0.00 C ATOM 1013 C LEU A 74 2.931 7.584 -8.451 1.00 0.00 C ATOM 1014 O LEU A 74 3.513 6.577 -8.858 1.00 0.00 O ATOM 1015 CB LEU A 74 0.536 7.691 -7.740 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.903 8.152 -7.978 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.813 7.658 -6.863 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.966 9.668 -8.088 1.00 0.00 C ATOM 0 H LEU A 74 0.796 6.142 -9.790 1.00 0.00 H new ATOM 0 HA LEU A 74 1.471 8.946 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.520 6.629 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.925 8.215 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.250 7.725 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.833 7.995 -7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.791 6.569 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.468 8.055 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.997 9.978 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.600 10.115 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.346 9.998 -8.922 1.00 0.00 H new ATOM 1030 N THR A 75 3.487 8.447 -7.607 1.00 0.00 N ATOM 1031 CA THR A 75 4.841 8.258 -7.101 1.00 0.00 C ATOM 1032 C THR A 75 4.837 8.032 -5.593 1.00 0.00 C ATOM 1033 O THR A 75 3.790 8.095 -4.948 1.00 0.00 O ATOM 1034 CB THR A 75 5.736 9.469 -7.425 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.069 10.683 -7.059 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.086 9.503 -8.905 1.00 0.00 C ATOM 0 H THR A 75 3.020 9.284 -7.259 1.00 0.00 H new ATOM 0 HA THR A 75 5.244 7.375 -7.597 1.00 0.00 H new ATOM 0 HB THR A 75 6.658 9.375 -6.852 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.645 11.448 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.719 10.367 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.619 8.591 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.171 9.576 -9.494 1.00 0.00 H new ATOM 1044 N HIS A 76 6.015 7.768 -5.037 1.00 0.00 N ATOM 1045 CA HIS A 76 6.148 7.533 -3.603 1.00 0.00 C ATOM 1046 C HIS A 76 5.454 8.634 -2.806 1.00 0.00 C ATOM 1047 O HIS A 76 4.657 8.357 -1.910 1.00 0.00 O ATOM 1048 CB HIS A 76 7.624 7.456 -3.212 1.00 0.00 C ATOM 1049 CG HIS A 76 7.864 7.634 -1.744 1.00 0.00 C ATOM 1050 ND1 HIS A 76 9.042 8.135 -1.230 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.070 7.377 -0.679 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.962 8.176 0.088 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.775 7.721 0.448 1.00 0.00 N ATOM 0 H HIS A 76 6.891 7.711 -5.557 1.00 0.00 H new ATOM 0 HA HIS A 76 5.669 6.582 -3.369 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.024 6.491 -3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.177 8.221 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.068 6.976 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.735 8.523 0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.437 7.639 1.407 1.00 0.00 H new ATOM 1062 N ALA A 77 5.765 9.883 -3.138 1.00 0.00 N ATOM 1063 CA ALA A 77 5.171 11.025 -2.454 1.00 0.00 C ATOM 1064 C ALA A 77 3.649 10.983 -2.535 1.00 0.00 C ATOM 1065 O ALA A 77 2.965 10.951 -1.512 1.00 0.00 O ATOM 1066 CB ALA A 77 5.697 12.325 -3.043 1.00 0.00 C ATOM 0 H ALA A 77 6.425 10.129 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 77 5.454 10.974 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.245 13.169 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.780 12.365 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.443 12.374 -4.102 1.00 0.00 H new ATOM 1072 N GLN A 78 3.126 10.984 -3.757 1.00 0.00 N ATOM 1073 CA GLN A 78 1.684 10.948 -3.970 1.00 0.00 C ATOM 1074 C GLN A 78 1.042 9.829 -3.157 1.00 0.00 C ATOM 1075 O GLN A 78 0.102 10.062 -2.397 1.00 0.00 O ATOM 1076 CB GLN A 78 1.372 10.758 -5.456 1.00 0.00 C ATOM 1077 CG GLN A 78 1.847 11.908 -6.329 1.00 0.00 C ATOM 1078 CD GLN A 78 1.110 13.202 -6.042 1.00 0.00 C ATOM 1079 OE1 GLN A 78 0.107 13.213 -5.328 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.606 14.301 -6.597 1.00 0.00 N ATOM 0 H GLN A 78 3.679 11.009 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 78 1.268 11.899 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.837 9.835 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.296 10.639 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.915 12.060 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.713 11.643 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.440 14.245 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.153 15.201 -6.438 1.00 0.00 H new ATOM 1089 N ALA A 79 1.555 8.614 -3.322 1.00 0.00 N ATOM 1090 CA ALA A 79 1.032 7.460 -2.601 1.00 0.00 C ATOM 1091 C ALA A 79 0.892 7.759 -1.112 1.00 0.00 C ATOM 1092 O ALA A 79 -0.185 7.604 -0.536 1.00 0.00 O ATOM 1093 CB ALA A 79 1.932 6.252 -2.816 1.00 0.00 C ATOM 0 H ALA A 79 2.332 8.404 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 79 0.040 7.236 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.530 5.397 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.977 6.017 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.934 6.475 -2.451 1.00 0.00 H new ATOM 1099 N VAL A 80 1.988 8.188 -0.494 1.00 0.00 N ATOM 1100 CA VAL A 80 1.987 8.509 0.928 1.00 0.00 C ATOM 1101 C VAL A 80 0.833 9.441 1.280 1.00 0.00 C ATOM 1102 O VAL A 80 0.241 9.334 2.353 1.00 0.00 O ATOM 1103 CB VAL A 80 3.312 9.167 1.356 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.296 9.483 2.844 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.489 8.269 1.005 1.00 0.00 C ATOM 0 H VAL A 80 2.888 8.321 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 80 1.867 7.568 1.465 1.00 0.00 H new ATOM 0 HB VAL A 80 3.425 10.105 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.241 9.947 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.476 10.167 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.160 8.562 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.418 8.749 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.385 7.314 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.509 8.100 -0.072 1.00 0.00 H new ATOM 1115 N GLU A 81 0.519 10.356 0.368 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.565 11.308 0.583 1.00 0.00 C ATOM 1117 C GLU A 81 -1.921 10.608 0.534 1.00 0.00 C ATOM 1118 O GLU A 81 -2.787 10.852 1.374 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.514 12.419 -0.468 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.701 13.366 -0.410 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.523 14.579 -1.302 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -1.261 14.395 -2.510 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -1.646 15.712 -0.793 1.00 0.00 O ATOM 0 H GLU A 81 0.999 10.458 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.438 11.748 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.404 12.992 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.468 11.968 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.603 12.831 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.849 13.695 0.619 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.096 9.739 -0.455 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.346 9.006 -0.615 1.00 0.00 C ATOM 1132 C ARG A 82 -3.726 8.290 0.678 1.00 0.00 C ATOM 1133 O ARG A 82 -4.902 8.028 0.930 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.225 7.992 -1.755 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.155 8.630 -3.133 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.527 9.083 -3.607 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.520 8.017 -3.506 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.831 8.233 -3.483 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -7.303 9.470 -3.554 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.672 7.211 -3.390 1.00 0.00 N ATOM 0 H ARG A 82 -1.388 9.525 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.130 9.723 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.332 7.387 -1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.079 7.315 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.478 9.484 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.740 7.917 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.851 9.938 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.460 9.420 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.189 7.054 -3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.659 10.258 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.310 9.634 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.312 6.258 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.678 7.378 -3.372 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.723 7.978 1.492 1.00 0.00 N ATOM 1155 CA ILE A 83 -2.953 7.294 2.758 1.00 0.00 C ATOM 1156 C ILE A 83 -3.483 8.257 3.815 1.00 0.00 C ATOM 1157 O ILE A 83 -4.600 8.100 4.308 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.665 6.633 3.282 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -0.968 5.862 2.159 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -1.981 5.709 4.449 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.350 5.247 2.576 1.00 0.00 C ATOM 0 H ILE A 83 -1.744 8.188 1.297 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.698 6.521 2.568 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.991 7.414 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.632 5.073 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.796 6.535 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.060 5.249 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.438 6.284 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.671 4.932 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.788 4.716 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.031 6.033 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.182 4.548 3.396 1.00 0.00 H new ATOM 1173 N ARG A 84 -2.675 9.255 4.157 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.062 10.245 5.155 1.00 0.00 C ATOM 1175 C ARG A 84 -4.424 10.847 4.823 1.00 0.00 C ATOM 1176 O ARG A 84 -5.260 11.042 5.705 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.010 11.353 5.241 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.235 12.484 4.251 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.196 13.582 4.415 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.555 14.521 5.474 1.00 0.00 N ATOM 1181 CZ ARG A 84 -2.468 15.476 5.332 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -3.111 15.616 4.180 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.740 16.292 6.342 1.00 0.00 N ATOM 0 H ARG A 84 -1.748 9.400 3.757 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.131 9.743 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.006 11.761 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.024 10.921 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.195 12.093 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.232 12.901 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.228 13.134 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.087 14.121 3.474 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.079 14.439 6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.905 14.990 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.812 16.350 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.248 16.187 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.441 17.025 6.231 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.641 11.140 3.545 1.00 0.00 N ATOM 1198 CA ALA A 85 -5.901 11.718 3.096 1.00 0.00 C ATOM 1199 C ALA A 85 -7.011 10.673 3.084 1.00 0.00 C ATOM 1200 O ALA A 85 -8.188 11.004 2.947 1.00 0.00 O ATOM 1201 CB ALA A 85 -5.738 12.333 1.714 1.00 0.00 C ATOM 0 H ALA A 85 -3.959 10.986 2.802 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.183 12.502 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.687 12.761 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.981 13.116 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.429 11.563 1.007 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.628 9.408 3.228 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.604 8.333 3.230 1.00 0.00 C ATOM 1209 C GLY A 86 -8.715 8.560 4.236 1.00 0.00 C ATOM 1210 O GLY A 86 -9.892 8.391 3.921 1.00 0.00 O ATOM 0 H GLY A 86 -5.660 9.108 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.035 8.236 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.102 7.391 3.454 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.340 8.945 5.453 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.326 9.188 6.490 1.00 0.00 C ATOM 1216 C GLY A 87 -9.108 8.317 7.712 1.00 0.00 C ATOM 1217 O GLY A 87 -7.990 7.895 8.008 1.00 0.00 O ATOM 0 H GLY A 87 -7.372 9.093 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.289 10.237 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.323 9.004 6.090 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.196 8.037 8.445 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.144 7.210 9.654 1.00 0.00 C ATOM 1223 C PRO A 88 -9.857 5.745 9.342 1.00 0.00 C ATOM 1224 O PRO A 88 -9.334 5.013 10.182 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.545 7.365 10.251 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.415 7.703 9.090 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.560 8.507 8.150 1.00 0.00 C ATOM 0 HA PRO A 88 -9.343 7.520 10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.872 6.446 10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.569 8.151 11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.786 6.800 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.287 8.274 9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.830 8.329 7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.664 9.577 8.328 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.203 5.324 8.129 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.982 3.946 7.708 1.00 0.00 C ATOM 1237 C GLN A 89 -8.941 3.877 6.595 1.00 0.00 C ATOM 1238 O GLN A 89 -9.086 4.520 5.554 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.294 3.319 7.234 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.160 2.791 8.367 1.00 0.00 C ATOM 1241 CD GLN A 89 -11.836 1.355 8.728 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -10.711 1.038 9.114 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.824 0.476 8.605 1.00 0.00 N ATOM 0 H GLN A 89 -10.637 5.917 7.422 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.608 3.386 8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.860 4.062 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.070 2.502 6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.026 3.422 9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.209 2.862 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.742 0.782 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.665 -0.505 8.834 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.892 3.094 6.820 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.826 2.941 5.837 1.00 0.00 C ATOM 1254 C LEU A 90 -7.015 1.665 5.022 1.00 0.00 C ATOM 1255 O LEU A 90 -7.371 0.618 5.564 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.463 2.919 6.531 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.347 2.177 5.796 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.991 2.774 6.142 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.380 0.694 6.132 1.00 0.00 C ATOM 0 H LEU A 90 -7.757 2.555 7.675 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.867 3.793 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.143 3.949 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.586 2.466 7.515 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.508 2.289 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.209 2.233 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.970 3.824 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.821 2.694 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.578 0.182 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.245 0.561 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.340 0.274 5.832 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.773 1.760 3.719 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.913 0.612 2.830 1.00 0.00 C ATOM 1273 C HIS A 91 -5.720 0.507 1.885 1.00 0.00 C ATOM 1274 O HIS A 91 -5.610 1.265 0.921 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.209 0.720 2.025 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.668 -0.585 1.451 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.485 -0.933 0.130 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.305 -1.631 2.029 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.991 -2.135 -0.082 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.494 -2.581 1.055 1.00 0.00 N ATOM 0 H HIS A 91 -6.479 2.620 3.255 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.948 -0.289 3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.993 1.121 2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.065 1.434 1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.608 -1.705 3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.993 -2.663 -1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.949 -3.484 1.188 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.829 -0.436 2.168 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.643 -0.640 1.344 1.00 0.00 C ATOM 1291 C LEU A 92 -3.643 -2.034 0.724 1.00 0.00 C ATOM 1292 O LEU A 92 -3.983 -3.018 1.382 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.377 -0.442 2.179 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.264 0.890 2.921 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.012 0.917 3.783 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.261 2.050 1.937 1.00 0.00 C ATOM 0 H LEU A 92 -4.905 -1.072 2.962 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.660 0.096 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.318 -1.248 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.513 -0.544 1.522 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.131 0.995 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.949 1.873 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.055 0.109 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.133 0.789 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.180 2.990 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.413 1.950 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.188 2.043 1.363 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.259 -2.111 -0.547 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.212 -3.385 -1.255 1.00 0.00 C ATOM 1310 C VAL A 93 -1.798 -3.953 -1.270 1.00 0.00 C ATOM 1311 O VAL A 93 -0.909 -3.414 -1.930 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.711 -3.239 -2.705 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.999 -4.605 -3.310 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.946 -2.353 -2.756 1.00 0.00 C ATOM 0 H VAL A 93 -2.976 -1.307 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.869 -4.070 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.927 -2.765 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.350 -4.482 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.088 -5.203 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.765 -5.109 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.285 -2.261 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.737 -2.797 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.702 -1.365 -2.365 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.597 -5.045 -0.540 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.290 -5.688 -0.472 1.00 0.00 C ATOM 1326 C ILE A 94 -0.345 -7.106 -1.030 1.00 0.00 C ATOM 1327 O ILE A 94 -1.375 -7.775 -0.952 1.00 0.00 O ATOM 1328 CB ILE A 94 0.237 -5.737 0.974 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.145 -4.354 1.622 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.671 -6.244 0.998 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.305 -3.447 1.279 1.00 0.00 C ATOM 0 H ILE A 94 -2.322 -5.503 0.012 1.00 0.00 H new ATOM 0 HA ILE A 94 0.389 -5.089 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.382 -6.427 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.784 -3.876 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.094 -4.472 2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.029 -6.273 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.710 -7.247 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.303 -5.576 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.173 -2.484 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.236 -3.903 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.344 -3.299 0.200 1.00 0.00 H new ATOM 1343 N ARG A 95 0.771 -7.558 -1.591 1.00 0.00 N ATOM 1344 CA ARG A 95 0.851 -8.897 -2.162 1.00 0.00 C ATOM 1345 C ARG A 95 2.165 -9.573 -1.782 1.00 0.00 C ATOM 1346 O ARG A 95 3.245 -9.067 -2.086 1.00 0.00 O ATOM 1347 CB ARG A 95 0.719 -8.834 -3.685 1.00 0.00 C ATOM 1348 CG ARG A 95 0.904 -10.179 -4.369 1.00 0.00 C ATOM 1349 CD ARG A 95 0.556 -10.105 -5.847 1.00 0.00 C ATOM 1350 NE ARG A 95 0.270 -11.423 -6.409 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.211 -12.292 -6.760 1.00 0.00 C ATOM 1352 NH1 ARG A 95 2.492 -11.984 -6.607 1.00 0.00 N ATOM 1353 NH2 ARG A 95 0.872 -13.471 -7.264 1.00 0.00 N ATOM 0 H ARG A 95 1.633 -7.017 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 95 0.029 -9.487 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.264 -8.439 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.456 -8.133 -4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.937 -10.508 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.275 -10.925 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.310 -9.457 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.383 -9.650 -6.392 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.706 -11.690 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.756 -11.078 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.213 -12.653 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.112 -13.711 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.596 -14.138 -7.533 1.00 0.00 H new ATOM 1367 N ARG A 96 2.064 -10.718 -1.116 1.00 0.00 N ATOM 1368 CA ARG A 96 3.245 -11.462 -0.693 1.00 0.00 C ATOM 1369 C ARG A 96 4.010 -12.000 -1.899 1.00 0.00 C ATOM 1370 O ARG A 96 3.491 -12.784 -2.695 1.00 0.00 O ATOM 1371 CB ARG A 96 2.843 -12.618 0.226 1.00 0.00 C ATOM 1372 CG ARG A 96 4.026 -13.392 0.783 1.00 0.00 C ATOM 1373 CD ARG A 96 3.584 -14.693 1.435 1.00 0.00 C ATOM 1374 NE ARG A 96 4.530 -15.145 2.452 1.00 0.00 N ATOM 1375 CZ ARG A 96 4.372 -16.259 3.159 1.00 0.00 C ATOM 1376 NH1 ARG A 96 3.311 -17.029 2.960 1.00 0.00 N ATOM 1377 NH2 ARG A 96 5.277 -16.604 4.066 1.00 0.00 N ATOM 0 H ARG A 96 1.177 -11.151 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 96 3.896 -10.780 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.254 -12.224 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.199 -13.303 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.732 -13.607 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.552 -12.778 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.602 -14.556 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.477 -15.463 0.671 1.00 0.00 H new ATOM 0 HE ARG A 96 5.357 -14.575 2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.614 -16.767 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.192 -17.884 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.094 -16.014 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.155 -17.459 4.608 1.00 0.00 H new ATOM 1391 N PRO A 97 5.272 -11.570 -2.039 1.00 0.00 N ATOM 1392 CA PRO A 97 6.135 -11.995 -3.145 1.00 0.00 C ATOM 1393 C PRO A 97 6.544 -13.460 -3.031 1.00 0.00 C ATOM 1394 O PRO A 97 6.188 -14.141 -2.069 1.00 0.00 O ATOM 1395 CB PRO A 97 7.360 -11.087 -3.009 1.00 0.00 C ATOM 1396 CG PRO A 97 7.391 -10.706 -1.569 1.00 0.00 C ATOM 1397 CD PRO A 97 5.955 -10.635 -1.128 1.00 0.00 C ATOM 0 HA PRO A 97 5.632 -11.914 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.273 -11.607 -3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.275 -10.209 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.943 -11.441 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.890 -9.747 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.839 -10.933 -0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.557 -9.624 -1.217 1.00 0.00 H new ATOM 1405 N LEU A 98 7.291 -13.939 -4.019 1.00 0.00 N ATOM 1406 CA LEU A 98 7.749 -15.324 -4.030 1.00 0.00 C ATOM 1407 C LEU A 98 8.671 -15.602 -2.848 1.00 0.00 C ATOM 1408 O LEU A 98 8.582 -16.653 -2.212 1.00 0.00 O ATOM 1409 CB LEU A 98 8.475 -15.632 -5.341 1.00 0.00 C ATOM 1410 CG LEU A 98 9.080 -17.031 -5.461 1.00 0.00 C ATOM 1411 CD1 LEU A 98 7.991 -18.066 -5.695 1.00 0.00 C ATOM 1412 CD2 LEU A 98 10.108 -17.073 -6.582 1.00 0.00 C ATOM 0 H LEU A 98 7.593 -13.389 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 98 6.875 -15.970 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.774 -15.489 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.273 -14.901 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 98 9.583 -17.269 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.441 -19.055 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.292 -18.054 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.458 -17.832 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.528 -18.076 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.628 -16.813 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.905 -16.360 -6.372 1.00 0.00 H new ATOM 1424 N SER A 99 9.555 -14.653 -2.557 1.00 0.00 N ATOM 1425 CA SER A 99 10.494 -14.796 -1.451 1.00 0.00 C ATOM 1426 C SER A 99 10.040 -13.983 -0.243 1.00 0.00 C ATOM 1427 O SER A 99 9.809 -12.779 -0.342 1.00 0.00 O ATOM 1428 CB SER A 99 11.893 -14.352 -1.882 1.00 0.00 C ATOM 1429 OG SER A 99 11.922 -12.964 -2.169 1.00 0.00 O ATOM 0 H SER A 99 9.640 -13.777 -3.072 1.00 0.00 H new ATOM 0 HA SER A 99 10.525 -15.848 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.609 -14.578 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.201 -14.915 -2.763 1.00 0.00 H new ATOM 0 HG SER A 99 11.229 -12.507 -1.647 1.00 0.00 H new ATOM 1435 N GLY A 100 9.914 -14.652 0.900 1.00 0.00 N ATOM 1436 CA GLY A 100 9.488 -13.977 2.111 1.00 0.00 C ATOM 1437 C GLY A 100 10.601 -13.166 2.746 1.00 0.00 C ATOM 1438 O GLY A 100 10.843 -12.014 2.383 1.00 0.00 O ATOM 0 H GLY A 100 10.100 -15.649 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.650 -13.320 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.127 -14.715 2.827 1.00 0.00 H new ATOM 1442 N PRO A 101 11.299 -13.771 3.718 1.00 0.00 N ATOM 1443 CA PRO A 101 12.403 -13.115 4.425 1.00 0.00 C ATOM 1444 C PRO A 101 13.625 -12.918 3.536 1.00 0.00 C ATOM 1445 O PRO A 101 14.223 -13.885 3.063 1.00 0.00 O ATOM 1446 CB PRO A 101 12.721 -14.088 5.564 1.00 0.00 C ATOM 1447 CG PRO A 101 12.262 -15.415 5.068 1.00 0.00 C ATOM 1448 CD PRO A 101 11.064 -15.142 4.201 1.00 0.00 C ATOM 0 HA PRO A 101 12.134 -12.114 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 101 13.787 -14.097 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.203 -13.807 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.049 -15.913 4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.002 -16.073 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.994 -15.852 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.134 -15.216 4.765 1.00 0.00 H new ATOM 1456 N SER A 102 13.992 -11.660 3.313 1.00 0.00 N ATOM 1457 CA SER A 102 15.142 -11.336 2.477 1.00 0.00 C ATOM 1458 C SER A 102 15.600 -9.901 2.715 1.00 0.00 C ATOM 1459 O SER A 102 14.862 -8.951 2.457 1.00 0.00 O ATOM 1460 CB SER A 102 14.798 -11.535 0.999 1.00 0.00 C ATOM 1461 OG SER A 102 15.876 -11.143 0.167 1.00 0.00 O ATOM 0 H SER A 102 13.510 -10.849 3.700 1.00 0.00 H new ATOM 0 HA SER A 102 15.956 -12.008 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.556 -12.582 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.911 -10.954 0.748 1.00 0.00 H new ATOM 0 HG SER A 102 15.632 -11.281 -0.772 1.00 0.00 H new ATOM 1467 N SER A 103 16.825 -9.752 3.211 1.00 0.00 N ATOM 1468 CA SER A 103 17.381 -8.433 3.489 1.00 0.00 C ATOM 1469 C SER A 103 17.152 -7.488 2.314 1.00 0.00 C ATOM 1470 O SER A 103 16.699 -6.358 2.491 1.00 0.00 O ATOM 1471 CB SER A 103 18.878 -8.540 3.788 1.00 0.00 C ATOM 1472 OG SER A 103 19.413 -7.286 4.173 1.00 0.00 O ATOM 0 H SER A 103 17.450 -10.528 3.428 1.00 0.00 H new ATOM 0 HA SER A 103 16.871 -8.028 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.042 -9.268 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.403 -8.907 2.906 1.00 0.00 H new ATOM 0 HG SER A 103 20.370 -7.382 4.360 1.00 0.00 H new ATOM 1478 N GLY A 104 17.469 -7.960 1.112 1.00 0.00 N ATOM 1479 CA GLY A 104 17.292 -7.145 -0.075 1.00 0.00 C ATOM 1480 C GLY A 104 18.040 -7.696 -1.273 1.00 0.00 C ATOM 1481 O GLY A 104 18.668 -8.751 -1.190 1.00 0.00 O ATOM 0 H GLY A 104 17.845 -8.892 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.230 -7.080 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.636 -6.131 0.129 1.00 0.00 H new TER 1485 GLY A 104