USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 724 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 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 180:sc= 0 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.000966 X(o=-0.00097,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -82:sc= 0.417 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0868 USER MOD Single : A 40 SER OG : rot 73:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -3.03 (180deg=-3.99!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= 0.192 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= 0.089 F(o=-0.47,f=0.089) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -27:sc= -2.82! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.326 K(o=-0.33,f=-3.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 150:sc= -0.159 (180deg=-1.41) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -146:sc= -0.524 (180deg=-2.92!) USER MOD Single : A 87 SER OG : rot 43:sc= 0.477 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.814 -13.387 -43.972 1.00 0.00 N ATOM 2 CA GLY A 1 14.816 -12.510 -43.386 1.00 0.00 C ATOM 3 C GLY A 1 15.379 -11.777 -42.166 1.00 0.00 C ATOM 4 O GLY A 1 16.097 -10.789 -42.307 1.00 0.00 O ATOM 0 H1 GLY A 1 15.408 -13.872 -44.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.637 -12.826 -44.271 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.113 -14.092 -43.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.483 -11.785 -44.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.942 -13.092 -43.094 1.00 0.00 H new ATOM 8 N SER A 2 15.031 -12.291 -40.995 1.00 0.00 N ATOM 9 CA SER A 2 15.493 -11.698 -39.751 1.00 0.00 C ATOM 10 C SER A 2 14.952 -10.273 -39.618 1.00 0.00 C ATOM 11 O SER A 2 14.915 -9.526 -40.595 1.00 0.00 O ATOM 12 CB SER A 2 17.021 -11.696 -39.676 1.00 0.00 C ATOM 13 OG SER A 2 17.500 -10.906 -38.591 1.00 0.00 O ATOM 0 H SER A 2 14.435 -13.111 -40.881 1.00 0.00 H new ATOM 0 HA SER A 2 15.117 -12.301 -38.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.380 -12.719 -39.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.430 -11.314 -40.611 1.00 0.00 H new ATOM 0 HG SER A 2 18.480 -10.931 -38.576 1.00 0.00 H new ATOM 19 N SER A 3 14.547 -9.938 -38.402 1.00 0.00 N ATOM 20 CA SER A 3 14.011 -8.616 -38.129 1.00 0.00 C ATOM 21 C SER A 3 13.952 -8.376 -36.619 1.00 0.00 C ATOM 22 O SER A 3 13.807 -9.319 -35.843 1.00 0.00 O ATOM 23 CB SER A 3 12.622 -8.446 -38.748 1.00 0.00 C ATOM 24 OG SER A 3 11.641 -9.238 -38.083 1.00 0.00 O ATOM 0 H SER A 3 14.579 -10.560 -37.594 1.00 0.00 H new ATOM 0 HA SER A 3 14.674 -7.879 -38.582 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.331 -7.396 -38.704 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.658 -8.723 -39.802 1.00 0.00 H new ATOM 0 HG SER A 3 10.768 -9.101 -38.506 1.00 0.00 H new ATOM 30 N GLY A 4 14.068 -7.109 -36.248 1.00 0.00 N ATOM 31 CA GLY A 4 14.030 -6.734 -34.845 1.00 0.00 C ATOM 32 C GLY A 4 14.618 -5.337 -34.635 1.00 0.00 C ATOM 33 O GLY A 4 15.391 -4.854 -35.461 1.00 0.00 O ATOM 0 H GLY A 4 14.188 -6.330 -36.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.001 -6.757 -34.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.589 -7.460 -34.255 1.00 0.00 H new ATOM 37 N SER A 5 14.228 -4.727 -33.526 1.00 0.00 N ATOM 38 CA SER A 5 14.706 -3.395 -33.197 1.00 0.00 C ATOM 39 C SER A 5 14.419 -3.084 -31.726 1.00 0.00 C ATOM 40 O SER A 5 13.594 -3.745 -31.098 1.00 0.00 O ATOM 41 CB SER A 5 14.061 -2.340 -34.098 1.00 0.00 C ATOM 42 OG SER A 5 15.029 -1.470 -34.678 1.00 0.00 O ATOM 0 H SER A 5 13.586 -5.131 -32.844 1.00 0.00 H new ATOM 0 HA SER A 5 15.783 -3.367 -33.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.498 -2.834 -34.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.348 -1.754 -33.518 1.00 0.00 H new ATOM 0 HG SER A 5 14.578 -0.812 -35.247 1.00 0.00 H new ATOM 48 N SER A 6 15.117 -2.078 -31.220 1.00 0.00 N ATOM 49 CA SER A 6 14.947 -1.671 -29.835 1.00 0.00 C ATOM 50 C SER A 6 15.762 -0.406 -29.558 1.00 0.00 C ATOM 51 O SER A 6 16.754 -0.142 -30.234 1.00 0.00 O ATOM 52 CB SER A 6 15.362 -2.791 -28.878 1.00 0.00 C ATOM 53 OG SER A 6 14.308 -3.152 -27.990 1.00 0.00 O ATOM 0 H SER A 6 15.801 -1.533 -31.744 1.00 0.00 H new ATOM 0 HA SER A 6 13.891 -1.459 -29.667 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.667 -3.665 -29.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.229 -2.471 -28.300 1.00 0.00 H new ATOM 0 HG SER A 6 14.612 -3.871 -27.397 1.00 0.00 H new ATOM 59 N GLY A 7 15.312 0.342 -28.561 1.00 0.00 N ATOM 60 CA GLY A 7 15.986 1.573 -28.186 1.00 0.00 C ATOM 61 C GLY A 7 15.719 1.920 -26.720 1.00 0.00 C ATOM 62 O GLY A 7 14.679 1.557 -26.172 1.00 0.00 O ATOM 0 H GLY A 7 14.489 0.119 -28.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.059 1.469 -28.349 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.644 2.388 -28.824 1.00 0.00 H new ATOM 66 N ASP A 8 16.675 2.618 -26.126 1.00 0.00 N ATOM 67 CA ASP A 8 16.556 3.018 -24.734 1.00 0.00 C ATOM 68 C ASP A 8 17.682 3.996 -24.391 1.00 0.00 C ATOM 69 O ASP A 8 18.806 3.581 -24.113 1.00 0.00 O ATOM 70 CB ASP A 8 16.677 1.811 -23.802 1.00 0.00 C ATOM 71 CG ASP A 8 17.736 0.784 -24.208 1.00 0.00 C ATOM 72 OD1 ASP A 8 17.403 -0.066 -25.063 1.00 0.00 O ATOM 73 OD2 ASP A 8 18.853 0.871 -23.656 1.00 0.00 O ATOM 0 H ASP A 8 17.536 2.917 -26.583 1.00 0.00 H new ATOM 0 HA ASP A 8 15.579 3.481 -24.598 1.00 0.00 H new ATOM 0 HB2 ASP A 8 16.905 2.168 -22.798 1.00 0.00 H new ATOM 0 HB3 ASP A 8 15.709 1.312 -23.751 1.00 0.00 H new ATOM 78 N ALA A 9 17.341 5.275 -24.422 1.00 0.00 N ATOM 79 CA ALA A 9 18.309 6.315 -24.117 1.00 0.00 C ATOM 80 C ALA A 9 17.577 7.644 -23.913 1.00 0.00 C ATOM 81 O ALA A 9 16.628 7.950 -24.634 1.00 0.00 O ATOM 82 CB ALA A 9 19.349 6.389 -25.236 1.00 0.00 C ATOM 0 H ALA A 9 16.408 5.615 -24.654 1.00 0.00 H new ATOM 0 HA ALA A 9 18.840 6.085 -23.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.075 7.169 -25.007 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.861 5.430 -25.321 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.853 6.620 -26.179 1.00 0.00 H new ATOM 88 N GLY A 10 18.045 8.396 -22.929 1.00 0.00 N ATOM 89 CA GLY A 10 17.447 9.684 -22.621 1.00 0.00 C ATOM 90 C GLY A 10 18.410 10.557 -21.815 1.00 0.00 C ATOM 91 O GLY A 10 19.466 10.947 -22.313 1.00 0.00 O ATOM 0 H GLY A 10 18.832 8.138 -22.334 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.176 10.193 -23.546 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.526 9.536 -22.057 1.00 0.00 H new ATOM 95 N GLY A 11 18.013 10.839 -20.583 1.00 0.00 N ATOM 96 CA GLY A 11 18.828 11.660 -19.703 1.00 0.00 C ATOM 97 C GLY A 11 18.000 12.201 -18.536 1.00 0.00 C ATOM 98 O GLY A 11 16.771 12.146 -18.563 1.00 0.00 O ATOM 0 H GLY A 11 17.138 10.514 -20.173 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.662 11.072 -19.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.255 12.490 -20.266 1.00 0.00 H new ATOM 102 N GLY A 12 18.706 12.713 -17.538 1.00 0.00 N ATOM 103 CA GLY A 12 18.051 13.264 -16.364 1.00 0.00 C ATOM 104 C GLY A 12 17.448 12.155 -15.501 1.00 0.00 C ATOM 105 O GLY A 12 18.117 11.170 -15.192 1.00 0.00 O ATOM 0 H GLY A 12 19.725 12.758 -17.519 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.770 13.836 -15.777 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.268 13.957 -16.672 1.00 0.00 H new ATOM 109 N VAL A 13 16.189 12.351 -15.136 1.00 0.00 N ATOM 110 CA VAL A 13 15.488 11.379 -14.315 1.00 0.00 C ATOM 111 C VAL A 13 16.176 11.277 -12.952 1.00 0.00 C ATOM 112 O VAL A 13 17.250 10.688 -12.838 1.00 0.00 O ATOM 113 CB VAL A 13 15.407 10.037 -15.046 1.00 0.00 C ATOM 114 CG1 VAL A 13 14.850 8.946 -14.129 1.00 0.00 C ATOM 115 CG2 VAL A 13 14.574 10.158 -16.323 1.00 0.00 C ATOM 0 H VAL A 13 15.637 13.169 -15.394 1.00 0.00 H new ATOM 0 HA VAL A 13 14.461 11.699 -14.137 1.00 0.00 H new ATOM 0 HB VAL A 13 16.419 9.750 -15.332 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.803 8.003 -14.673 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.500 8.833 -13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.849 9.225 -13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.532 9.190 -16.823 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.564 10.479 -16.069 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.031 10.891 -16.988 1.00 0.00 H new ATOM 125 N GLY A 14 15.530 11.861 -11.953 1.00 0.00 N ATOM 126 CA GLY A 14 16.066 11.843 -10.603 1.00 0.00 C ATOM 127 C GLY A 14 15.694 10.546 -9.882 1.00 0.00 C ATOM 128 O GLY A 14 16.407 9.548 -9.985 1.00 0.00 O ATOM 0 H GLY A 14 14.640 12.350 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 14 17.151 11.946 -10.637 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.682 12.697 -10.044 1.00 0.00 H new ATOM 132 N LYS A 15 14.579 10.601 -9.169 1.00 0.00 N ATOM 133 CA LYS A 15 14.104 9.443 -8.432 1.00 0.00 C ATOM 134 C LYS A 15 12.623 9.218 -8.742 1.00 0.00 C ATOM 135 O LYS A 15 11.784 10.064 -8.432 1.00 0.00 O ATOM 136 CB LYS A 15 14.402 9.599 -6.939 1.00 0.00 C ATOM 137 CG LYS A 15 15.910 9.636 -6.682 1.00 0.00 C ATOM 138 CD LYS A 15 16.378 8.357 -5.985 1.00 0.00 C ATOM 139 CE LYS A 15 17.014 8.673 -4.630 1.00 0.00 C ATOM 140 NZ LYS A 15 16.832 7.540 -3.695 1.00 0.00 N ATOM 0 H LYS A 15 13.991 11.430 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 15 14.636 8.546 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.943 10.515 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.956 8.772 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.441 9.755 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.157 10.501 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.532 7.684 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.098 7.837 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.077 8.878 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.564 9.573 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.270 7.771 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.816 7.363 -3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.282 6.689 -4.089 1.00 0.00 H new ATOM 154 N GLU A 16 12.345 8.075 -9.351 1.00 0.00 N ATOM 155 CA GLU A 16 10.980 7.728 -9.707 1.00 0.00 C ATOM 156 C GLU A 16 10.234 7.188 -8.486 1.00 0.00 C ATOM 157 O GLU A 16 10.801 7.096 -7.398 1.00 0.00 O ATOM 158 CB GLU A 16 10.953 6.719 -10.857 1.00 0.00 C ATOM 159 CG GLU A 16 11.527 5.371 -10.417 1.00 0.00 C ATOM 160 CD GLU A 16 11.289 4.300 -11.483 1.00 0.00 C ATOM 161 OE1 GLU A 16 10.142 4.233 -11.975 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.260 3.571 -11.782 1.00 0.00 O ATOM 0 H GLU A 16 13.043 7.377 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 16 10.473 8.631 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.929 6.586 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.528 7.106 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.596 5.471 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.065 5.064 -9.478 1.00 0.00 H new ATOM 169 N LEU A 17 8.973 6.846 -8.706 1.00 0.00 N ATOM 170 CA LEU A 17 8.143 6.318 -7.637 1.00 0.00 C ATOM 171 C LEU A 17 8.972 5.359 -6.780 1.00 0.00 C ATOM 172 O LEU A 17 9.916 4.741 -7.270 1.00 0.00 O ATOM 173 CB LEU A 17 6.870 5.689 -8.207 1.00 0.00 C ATOM 174 CG LEU A 17 6.071 6.557 -9.182 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.167 8.036 -8.803 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.509 6.306 -10.626 1.00 0.00 C ATOM 0 H LEU A 17 8.506 6.924 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 17 7.808 7.123 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.142 4.763 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.219 5.418 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 17 5.021 6.273 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.591 8.631 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.769 8.181 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.210 8.351 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.925 6.935 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.567 6.545 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.347 5.258 -10.878 1.00 0.00 H new ATOM 188 N VAL A 18 8.589 5.264 -5.515 1.00 0.00 N ATOM 189 CA VAL A 18 9.285 4.391 -4.586 1.00 0.00 C ATOM 190 C VAL A 18 8.590 3.028 -4.555 1.00 0.00 C ATOM 191 O VAL A 18 7.364 2.951 -4.615 1.00 0.00 O ATOM 192 CB VAL A 18 9.366 5.051 -3.208 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.985 5.515 -2.740 1.00 0.00 C ATOM 194 CG2 VAL A 18 10.005 4.110 -2.185 1.00 0.00 C ATOM 0 H VAL A 18 7.805 5.778 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 18 10.311 4.226 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 18 10.003 5.931 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.071 5.980 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.584 6.238 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.315 4.658 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.050 4.604 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.407 3.202 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.014 3.852 -2.508 1.00 0.00 H new ATOM 204 N ASP A 19 9.404 1.987 -4.463 1.00 0.00 N ATOM 205 CA ASP A 19 8.883 0.631 -4.424 1.00 0.00 C ATOM 206 C ASP A 19 8.415 0.310 -3.003 1.00 0.00 C ATOM 207 O ASP A 19 9.159 0.499 -2.043 1.00 0.00 O ATOM 208 CB ASP A 19 9.961 -0.385 -4.807 1.00 0.00 C ATOM 209 CG ASP A 19 10.105 -0.640 -6.309 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.869 0.321 -7.073 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.448 -1.790 -6.659 1.00 0.00 O ATOM 0 H ASP A 19 10.421 2.055 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 19 8.058 0.566 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.919 -0.039 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.740 -1.331 -4.313 1.00 0.00 H new ATOM 216 N LEU A 20 7.183 -0.171 -2.915 1.00 0.00 N ATOM 217 CA LEU A 20 6.607 -0.520 -1.628 1.00 0.00 C ATOM 218 C LEU A 20 5.984 -1.915 -1.715 1.00 0.00 C ATOM 219 O LEU A 20 5.516 -2.325 -2.776 1.00 0.00 O ATOM 220 CB LEU A 20 5.629 0.563 -1.167 1.00 0.00 C ATOM 221 CG LEU A 20 6.197 1.980 -1.065 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.090 2.994 -0.771 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.323 2.045 -0.032 1.00 0.00 C ATOM 0 H LEU A 20 6.568 -0.327 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 20 7.382 -0.563 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.785 0.580 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.237 0.279 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 20 6.629 2.246 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.520 3.993 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.352 2.970 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.607 2.742 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.710 3.063 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.938 1.751 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.125 1.367 -0.325 1.00 0.00 H new ATOM 235 N LYS A 21 5.998 -2.606 -0.584 1.00 0.00 N ATOM 236 CA LYS A 21 5.440 -3.946 -0.519 1.00 0.00 C ATOM 237 C LYS A 21 4.073 -3.892 0.166 1.00 0.00 C ATOM 238 O LYS A 21 3.972 -3.499 1.327 1.00 0.00 O ATOM 239 CB LYS A 21 6.426 -4.905 0.151 1.00 0.00 C ATOM 240 CG LYS A 21 7.161 -5.752 -0.890 1.00 0.00 C ATOM 241 CD LYS A 21 8.603 -6.025 -0.457 1.00 0.00 C ATOM 242 CE LYS A 21 8.792 -7.496 -0.081 1.00 0.00 C ATOM 243 NZ LYS A 21 9.660 -8.176 -1.069 1.00 0.00 N ATOM 0 H LYS A 21 6.387 -2.263 0.294 1.00 0.00 H new ATOM 0 HA LYS A 21 5.279 -4.341 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.148 -4.338 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.892 -5.556 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.635 -6.696 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.157 -5.237 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.285 -5.762 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.857 -5.393 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.235 -7.570 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.823 -7.993 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.778 -9.173 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.223 -8.122 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.590 -7.711 -1.092 1.00 0.00 H new ATOM 257 N ILE A 22 3.056 -4.293 -0.582 1.00 0.00 N ATOM 258 CA ILE A 22 1.699 -4.295 -0.061 1.00 0.00 C ATOM 259 C ILE A 22 1.465 -5.580 0.735 1.00 0.00 C ATOM 260 O ILE A 22 0.998 -6.577 0.188 1.00 0.00 O ATOM 261 CB ILE A 22 0.691 -4.080 -1.191 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.148 -2.959 -2.128 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.711 -3.826 -0.634 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.958 -1.588 -1.475 1.00 0.00 C ATOM 0 H ILE A 22 3.144 -4.619 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 22 1.554 -3.462 0.627 1.00 0.00 H new ATOM 0 HB ILE A 22 0.641 -4.994 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.198 -3.101 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.582 -3.004 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.408 -3.676 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.028 -4.684 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.697 -2.936 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.290 -0.809 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.096 -1.440 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.544 -1.538 -0.558 1.00 0.00 H new ATOM 276 N ILE A 23 1.801 -5.514 2.015 1.00 0.00 N ATOM 277 CA ILE A 23 1.633 -6.661 2.893 1.00 0.00 C ATOM 278 C ILE A 23 0.181 -6.723 3.371 1.00 0.00 C ATOM 279 O ILE A 23 -0.338 -5.752 3.918 1.00 0.00 O ATOM 280 CB ILE A 23 2.654 -6.618 4.031 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.064 -6.364 3.494 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.584 -7.890 4.879 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.317 -7.165 2.215 1.00 0.00 C ATOM 0 H ILE A 23 2.189 -4.685 2.465 1.00 0.00 H new ATOM 0 HA ILE A 23 1.831 -7.587 2.353 1.00 0.00 H new ATOM 0 HB ILE A 23 2.403 -5.782 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.194 -5.301 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.800 -6.638 4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.320 -7.834 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.587 -7.987 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.795 -8.757 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.326 -6.966 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.210 -8.229 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.595 -6.871 1.453 1.00 0.00 H new ATOM 295 N TRP A 24 -0.433 -7.876 3.147 1.00 0.00 N ATOM 296 CA TRP A 24 -1.814 -8.078 3.548 1.00 0.00 C ATOM 297 C TRP A 24 -2.082 -9.584 3.579 1.00 0.00 C ATOM 298 O TRP A 24 -2.061 -10.243 2.540 1.00 0.00 O ATOM 299 CB TRP A 24 -2.770 -7.320 2.625 1.00 0.00 C ATOM 300 CG TRP A 24 -4.236 -7.382 3.059 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.724 -7.601 4.288 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.391 -7.215 2.211 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.103 -7.587 4.294 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.522 -7.344 2.991 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.478 -6.962 0.831 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.822 -7.236 2.481 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.784 -6.857 0.336 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.933 -6.985 1.108 1.00 0.00 C ATOM 0 H TRP A 24 0.001 -8.679 2.693 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.989 -7.672 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.460 -6.276 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.683 -7.725 1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.114 -7.767 5.164 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.705 -7.729 5.105 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.606 -6.857 0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.692 -7.341 3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.907 -6.663 -0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.907 -6.891 0.651 1.00 0.00 H new ATOM 319 N ASN A 25 -2.328 -10.085 4.780 1.00 0.00 N ATOM 320 CA ASN A 25 -2.600 -11.501 4.960 1.00 0.00 C ATOM 321 C ASN A 25 -1.311 -12.295 4.740 1.00 0.00 C ATOM 322 O ASN A 25 -0.758 -12.862 5.681 1.00 0.00 O ATOM 323 CB ASN A 25 -3.637 -11.995 3.950 1.00 0.00 C ATOM 324 CG ASN A 25 -4.837 -12.626 4.660 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.728 -13.627 5.348 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.984 -11.985 4.456 1.00 0.00 N ATOM 0 H ASN A 25 -2.345 -9.535 5.639 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.983 -11.645 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.972 -11.163 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.180 -12.725 3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.843 -12.326 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.005 -11.152 3.868 1.00 0.00 H new ATOM 333 N LYS A 26 -0.869 -12.311 3.491 1.00 0.00 N ATOM 334 CA LYS A 26 0.345 -13.026 3.135 1.00 0.00 C ATOM 335 C LYS A 26 0.648 -12.801 1.652 1.00 0.00 C ATOM 336 O LYS A 26 1.101 -13.713 0.962 1.00 0.00 O ATOM 337 CB LYS A 26 0.230 -14.502 3.522 1.00 0.00 C ATOM 338 CG LYS A 26 -1.182 -15.030 3.258 1.00 0.00 C ATOM 339 CD LYS A 26 -1.244 -16.547 3.446 1.00 0.00 C ATOM 340 CE LYS A 26 -2.195 -16.919 4.586 1.00 0.00 C ATOM 341 NZ LYS A 26 -1.433 -17.224 5.818 1.00 0.00 N ATOM 0 H LYS A 26 -1.330 -11.840 2.713 1.00 0.00 H new ATOM 0 HA LYS A 26 1.195 -12.638 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.953 -15.088 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.477 -14.625 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.887 -14.547 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.486 -14.773 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.577 -17.018 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.247 -16.932 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.887 -16.098 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.795 -17.782 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.093 -17.474 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.791 -18.022 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.879 -16.390 6.099 1.00 0.00 H new ATOM 355 N THR A 27 0.387 -11.581 1.206 1.00 0.00 N ATOM 356 CA THR A 27 0.627 -11.225 -0.182 1.00 0.00 C ATOM 357 C THR A 27 1.690 -10.129 -0.275 1.00 0.00 C ATOM 358 O THR A 27 1.893 -9.373 0.675 1.00 0.00 O ATOM 359 CB THR A 27 -0.712 -10.827 -0.806 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.374 -10.100 0.226 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.623 -12.031 -1.055 1.00 0.00 C ATOM 0 H THR A 27 0.012 -10.827 1.781 1.00 0.00 H new ATOM 0 HA THR A 27 1.026 -12.070 -0.744 1.00 0.00 H new ATOM 0 HB THR A 27 -0.533 -10.306 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.805 -10.727 0.843 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.560 -11.693 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.130 -12.726 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.830 -12.533 -0.110 1.00 0.00 H new ATOM 369 N LYS A 28 2.341 -10.077 -1.428 1.00 0.00 N ATOM 370 CA LYS A 28 3.378 -9.085 -1.657 1.00 0.00 C ATOM 371 C LYS A 28 3.212 -8.495 -3.059 1.00 0.00 C ATOM 372 O LYS A 28 3.590 -9.120 -4.048 1.00 0.00 O ATOM 373 CB LYS A 28 4.761 -9.689 -1.404 1.00 0.00 C ATOM 374 CG LYS A 28 4.936 -10.061 0.070 1.00 0.00 C ATOM 375 CD LYS A 28 5.877 -11.257 0.226 1.00 0.00 C ATOM 376 CE LYS A 28 5.227 -12.360 1.064 1.00 0.00 C ATOM 377 NZ LYS A 28 5.594 -12.212 2.490 1.00 0.00 N ATOM 0 H LYS A 28 2.171 -10.705 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 28 3.281 -8.261 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.894 -10.575 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.532 -8.976 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.333 -9.207 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.966 -10.298 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.139 -11.649 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.805 -10.935 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.143 -12.317 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.545 -13.337 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.145 -12.968 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.627 -12.276 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.269 -11.288 2.838 1.00 0.00 H new ATOM 391 N HIS A 29 2.647 -7.297 -3.098 1.00 0.00 N ATOM 392 CA HIS A 29 2.427 -6.615 -4.362 1.00 0.00 C ATOM 393 C HIS A 29 3.394 -5.435 -4.485 1.00 0.00 C ATOM 394 O HIS A 29 3.365 -4.518 -3.666 1.00 0.00 O ATOM 395 CB HIS A 29 0.962 -6.198 -4.507 1.00 0.00 C ATOM 396 CG HIS A 29 -0.014 -7.348 -4.431 1.00 0.00 C ATOM 397 ND1 HIS A 29 0.073 -8.460 -5.251 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.096 -7.548 -3.625 1.00 0.00 C ATOM 399 CE1 HIS A 29 -0.918 -9.284 -4.944 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.642 -8.717 -3.936 1.00 0.00 N ATOM 0 H HIS A 29 2.335 -6.781 -2.275 1.00 0.00 H new ATOM 0 HA HIS A 29 2.634 -7.297 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.721 -5.478 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.833 -5.688 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.449 -6.870 -2.862 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.118 -10.238 -5.410 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.466 -9.124 -3.495 1.00 0.00 H new ATOM 408 N ASP A 30 4.226 -5.498 -5.513 1.00 0.00 N ATOM 409 CA ASP A 30 5.200 -4.447 -5.753 1.00 0.00 C ATOM 410 C ASP A 30 4.527 -3.295 -6.502 1.00 0.00 C ATOM 411 O ASP A 30 4.204 -3.422 -7.682 1.00 0.00 O ATOM 412 CB ASP A 30 6.360 -4.955 -6.612 1.00 0.00 C ATOM 413 CG ASP A 30 7.367 -5.842 -5.878 1.00 0.00 C ATOM 414 OD1 ASP A 30 7.888 -5.374 -4.843 1.00 0.00 O ATOM 415 OD2 ASP A 30 7.595 -6.969 -6.369 1.00 0.00 O ATOM 0 H ASP A 30 4.246 -6.261 -6.190 1.00 0.00 H new ATOM 0 HA ASP A 30 5.584 -4.117 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.951 -5.514 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.889 -4.097 -7.026 1.00 0.00 H new ATOM 420 N VAL A 31 4.334 -2.198 -5.785 1.00 0.00 N ATOM 421 CA VAL A 31 3.705 -1.025 -6.367 1.00 0.00 C ATOM 422 C VAL A 31 4.669 0.160 -6.285 1.00 0.00 C ATOM 423 O VAL A 31 5.364 0.331 -5.285 1.00 0.00 O ATOM 424 CB VAL A 31 2.365 -0.754 -5.679 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.336 -1.827 -6.041 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.539 -0.649 -4.163 1.00 0.00 C ATOM 0 H VAL A 31 4.602 -2.097 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 31 3.486 -1.193 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 31 1.990 0.204 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.393 -1.611 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.180 -1.832 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.701 -2.803 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.572 -0.456 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.947 -1.584 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.222 0.168 -3.931 1.00 0.00 H new ATOM 436 N LYS A 32 4.681 0.947 -7.351 1.00 0.00 N ATOM 437 CA LYS A 32 5.549 2.111 -7.412 1.00 0.00 C ATOM 438 C LYS A 32 4.712 3.377 -7.220 1.00 0.00 C ATOM 439 O LYS A 32 3.911 3.732 -8.084 1.00 0.00 O ATOM 440 CB LYS A 32 6.366 2.103 -8.706 1.00 0.00 C ATOM 441 CG LYS A 32 5.586 2.756 -9.850 1.00 0.00 C ATOM 442 CD LYS A 32 6.149 2.333 -11.208 1.00 0.00 C ATOM 443 CE LYS A 32 5.090 2.462 -12.305 1.00 0.00 C ATOM 444 NZ LYS A 32 5.376 1.525 -13.414 1.00 0.00 N ATOM 0 H LYS A 32 4.104 0.802 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 32 6.278 2.085 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.305 2.635 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.621 1.077 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.535 2.476 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.633 3.841 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.012 2.951 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.499 1.302 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.103 2.255 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.070 3.485 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.648 1.625 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.309 1.741 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.372 0.549 -13.054 1.00 0.00 H new ATOM 458 N VAL A 33 4.926 4.023 -6.084 1.00 0.00 N ATOM 459 CA VAL A 33 4.201 5.242 -5.768 1.00 0.00 C ATOM 460 C VAL A 33 5.198 6.345 -5.408 1.00 0.00 C ATOM 461 O VAL A 33 6.298 6.062 -4.934 1.00 0.00 O ATOM 462 CB VAL A 33 3.181 4.973 -4.660 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.553 3.587 -4.818 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.819 5.131 -3.278 1.00 0.00 C ATOM 0 H VAL A 33 5.591 3.725 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 33 3.636 5.585 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 33 2.386 5.713 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.832 3.421 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.047 3.525 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.332 2.827 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.073 4.934 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.642 4.424 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.197 6.147 -3.166 1.00 0.00 H new ATOM 474 N PRO A 34 4.768 7.612 -5.651 1.00 0.00 N ATOM 475 CA PRO A 34 5.611 8.758 -5.358 1.00 0.00 C ATOM 476 C PRO A 34 5.663 9.029 -3.853 1.00 0.00 C ATOM 477 O PRO A 34 4.690 8.787 -3.140 1.00 0.00 O ATOM 478 CB PRO A 34 5.002 9.906 -6.147 1.00 0.00 C ATOM 479 CG PRO A 34 3.583 9.477 -6.480 1.00 0.00 C ATOM 480 CD PRO A 34 3.472 7.985 -6.211 1.00 0.00 C ATOM 0 HA PRO A 34 6.650 8.601 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.005 10.826 -5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.573 10.103 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.865 10.029 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.353 9.695 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.662 7.767 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.262 7.432 -7.127 1.00 0.00 H new ATOM 488 N LEU A 35 6.809 9.528 -3.413 1.00 0.00 N ATOM 489 CA LEU A 35 7.001 9.834 -2.006 1.00 0.00 C ATOM 490 C LEU A 35 6.171 11.065 -1.638 1.00 0.00 C ATOM 491 O LEU A 35 5.977 11.358 -0.459 1.00 0.00 O ATOM 492 CB LEU A 35 8.491 9.980 -1.688 1.00 0.00 C ATOM 493 CG LEU A 35 8.975 9.288 -0.412 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.570 7.813 -0.401 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.483 9.469 -0.229 1.00 0.00 C ATOM 0 H LEU A 35 7.614 9.728 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 35 6.645 9.012 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.062 9.588 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.724 11.042 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 35 8.488 9.762 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.926 7.345 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.484 7.733 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.011 7.308 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.801 8.968 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.007 9.037 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.716 10.532 -0.160 1.00 0.00 H new ATOM 507 N ASP A 36 5.702 11.753 -2.669 1.00 0.00 N ATOM 508 CA ASP A 36 4.897 12.945 -2.469 1.00 0.00 C ATOM 509 C ASP A 36 3.494 12.538 -2.012 1.00 0.00 C ATOM 510 O ASP A 36 2.666 13.393 -1.700 1.00 0.00 O ATOM 511 CB ASP A 36 4.758 13.741 -3.769 1.00 0.00 C ATOM 512 CG ASP A 36 5.398 15.130 -3.748 1.00 0.00 C ATOM 513 OD1 ASP A 36 6.598 15.197 -3.405 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.673 16.094 -4.076 1.00 0.00 O ATOM 0 H ASP A 36 5.865 11.507 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 36 5.391 13.563 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.203 13.164 -4.580 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.698 13.849 -4.000 1.00 0.00 H new ATOM 519 N SER A 37 3.271 11.232 -1.987 1.00 0.00 N ATOM 520 CA SER A 37 1.983 10.701 -1.574 1.00 0.00 C ATOM 521 C SER A 37 1.770 10.949 -0.079 1.00 0.00 C ATOM 522 O SER A 37 2.608 10.578 0.741 1.00 0.00 O ATOM 523 CB SER A 37 1.878 9.207 -1.884 1.00 0.00 C ATOM 524 OG SER A 37 1.286 8.966 -3.158 1.00 0.00 O ATOM 0 H SER A 37 3.960 10.526 -2.246 1.00 0.00 H new ATOM 0 HA SER A 37 1.204 11.217 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.872 8.760 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.286 8.717 -1.111 1.00 0.00 H new ATOM 0 HG SER A 37 1.238 8.001 -3.319 1.00 0.00 H new ATOM 530 N THR A 38 0.644 11.576 0.229 1.00 0.00 N ATOM 531 CA THR A 38 0.310 11.878 1.611 1.00 0.00 C ATOM 532 C THR A 38 -0.059 10.597 2.363 1.00 0.00 C ATOM 533 O THR A 38 -0.666 9.692 1.793 1.00 0.00 O ATOM 534 CB THR A 38 -0.805 12.925 1.610 1.00 0.00 C ATOM 535 OG1 THR A 38 -1.931 12.232 1.077 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.551 14.050 0.605 1.00 0.00 C ATOM 0 H THR A 38 -0.048 11.883 -0.454 1.00 0.00 H new ATOM 0 HA THR A 38 1.166 12.294 2.143 1.00 0.00 H new ATOM 0 HB THR A 38 -0.907 13.347 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.701 12.837 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.372 14.766 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.383 14.555 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.483 13.632 -0.399 1.00 0.00 H new ATOM 544 N GLY A 39 0.323 10.563 3.631 1.00 0.00 N ATOM 545 CA GLY A 39 0.039 9.409 4.466 1.00 0.00 C ATOM 546 C GLY A 39 -1.422 8.976 4.327 1.00 0.00 C ATOM 547 O GLY A 39 -1.759 7.822 4.586 1.00 0.00 O ATOM 0 H GLY A 39 0.827 11.316 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.694 8.584 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.253 9.648 5.508 1.00 0.00 H new ATOM 551 N SER A 40 -2.250 9.925 3.917 1.00 0.00 N ATOM 552 CA SER A 40 -3.667 9.657 3.740 1.00 0.00 C ATOM 553 C SER A 40 -3.902 8.949 2.404 1.00 0.00 C ATOM 554 O SER A 40 -4.775 8.088 2.299 1.00 0.00 O ATOM 555 CB SER A 40 -4.485 10.948 3.807 1.00 0.00 C ATOM 556 OG SER A 40 -5.883 10.690 3.906 1.00 0.00 O ATOM 0 H SER A 40 -1.967 10.881 3.702 1.00 0.00 H new ATOM 0 HA SER A 40 -3.996 9.008 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.163 11.537 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.289 11.548 2.918 1.00 0.00 H new ATOM 0 HG SER A 40 -6.092 10.360 4.805 1.00 0.00 H new ATOM 562 N GLU A 41 -3.109 9.337 1.417 1.00 0.00 N ATOM 563 CA GLU A 41 -3.220 8.751 0.092 1.00 0.00 C ATOM 564 C GLU A 41 -2.959 7.244 0.156 1.00 0.00 C ATOM 565 O GLU A 41 -3.615 6.467 -0.536 1.00 0.00 O ATOM 566 CB GLU A 41 -2.265 9.431 -0.891 1.00 0.00 C ATOM 567 CG GLU A 41 -2.962 10.578 -1.626 1.00 0.00 C ATOM 568 CD GLU A 41 -2.474 10.679 -3.073 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.415 11.312 -3.272 1.00 0.00 O ATOM 570 OE2 GLU A 41 -3.171 10.120 -3.946 1.00 0.00 O ATOM 0 H GLU A 41 -2.386 10.051 1.508 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.235 8.910 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.396 9.812 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.899 8.701 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.041 10.421 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.770 11.517 -1.107 1.00 0.00 H new ATOM 577 N LEU A 42 -1.999 6.877 0.992 1.00 0.00 N ATOM 578 CA LEU A 42 -1.643 5.477 1.155 1.00 0.00 C ATOM 579 C LEU A 42 -2.917 4.630 1.164 1.00 0.00 C ATOM 580 O LEU A 42 -3.016 3.643 0.437 1.00 0.00 O ATOM 581 CB LEU A 42 -0.769 5.288 2.395 1.00 0.00 C ATOM 582 CG LEU A 42 0.740 5.214 2.148 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.508 5.132 3.468 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.085 4.056 1.210 1.00 0.00 C ATOM 0 H LEU A 42 -1.457 7.524 1.564 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.039 5.136 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.965 6.111 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.080 4.372 2.898 1.00 0.00 H new ATOM 0 HG LEU A 42 1.051 6.133 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.578 5.080 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.295 6.017 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.199 4.240 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.163 4.025 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.757 3.117 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.581 4.199 0.254 1.00 0.00 H new ATOM 596 N LYS A 43 -3.860 5.046 1.997 1.00 0.00 N ATOM 597 CA LYS A 43 -5.123 4.337 2.111 1.00 0.00 C ATOM 598 C LYS A 43 -5.677 4.063 0.712 1.00 0.00 C ATOM 599 O LYS A 43 -5.900 2.911 0.343 1.00 0.00 O ATOM 600 CB LYS A 43 -6.089 5.105 3.015 1.00 0.00 C ATOM 601 CG LYS A 43 -5.747 4.890 4.491 1.00 0.00 C ATOM 602 CD LYS A 43 -4.440 5.594 4.860 1.00 0.00 C ATOM 603 CE LYS A 43 -4.276 5.685 6.378 1.00 0.00 C ATOM 604 NZ LYS A 43 -3.885 7.056 6.776 1.00 0.00 N ATOM 0 H LYS A 43 -3.775 5.865 2.599 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.975 3.370 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.046 6.168 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.111 4.777 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.557 5.269 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.660 3.823 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.597 5.052 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.428 6.595 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.210 5.410 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.520 4.974 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.209 7.241 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.850 7.148 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.321 7.743 6.129 1.00 0.00 H new ATOM 618 N GLN A 44 -5.884 5.141 -0.030 1.00 0.00 N ATOM 619 CA GLN A 44 -6.408 5.032 -1.381 1.00 0.00 C ATOM 620 C GLN A 44 -5.382 4.361 -2.295 1.00 0.00 C ATOM 621 O GLN A 44 -5.732 3.851 -3.359 1.00 0.00 O ATOM 622 CB GLN A 44 -6.814 6.403 -1.925 1.00 0.00 C ATOM 623 CG GLN A 44 -7.924 7.023 -1.075 1.00 0.00 C ATOM 624 CD GLN A 44 -9.237 7.098 -1.857 1.00 0.00 C ATOM 625 OE1 GLN A 44 -10.119 6.266 -1.722 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.316 8.139 -2.682 1.00 0.00 N ATOM 0 H GLN A 44 -5.698 6.095 0.279 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.303 4.410 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.948 7.065 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.153 6.303 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.068 6.431 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.628 8.023 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.541 8.798 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.152 8.278 -3.250 1.00 0.00 H new ATOM 635 N LYS A 45 -4.134 4.383 -1.849 1.00 0.00 N ATOM 636 CA LYS A 45 -3.055 3.783 -2.614 1.00 0.00 C ATOM 637 C LYS A 45 -3.075 2.266 -2.414 1.00 0.00 C ATOM 638 O LYS A 45 -2.696 1.513 -3.310 1.00 0.00 O ATOM 639 CB LYS A 45 -1.717 4.432 -2.253 1.00 0.00 C ATOM 640 CG LYS A 45 -1.026 4.992 -3.498 1.00 0.00 C ATOM 641 CD LYS A 45 -1.958 5.929 -4.268 1.00 0.00 C ATOM 642 CE LYS A 45 -1.257 7.247 -4.603 1.00 0.00 C ATOM 643 NZ LYS A 45 -1.909 7.901 -5.760 1.00 0.00 N ATOM 0 H LYS A 45 -3.847 4.807 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.196 3.967 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.880 5.233 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.070 3.698 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.124 5.530 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.714 4.172 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.288 5.445 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.850 6.128 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.285 7.911 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.207 7.060 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.185 8.196 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.563 7.232 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.438 8.735 -5.435 1.00 0.00 H new ATOM 657 N ILE A 46 -3.522 1.863 -1.234 1.00 0.00 N ATOM 658 CA ILE A 46 -3.597 0.449 -0.906 1.00 0.00 C ATOM 659 C ILE A 46 -4.949 -0.104 -1.361 1.00 0.00 C ATOM 660 O ILE A 46 -5.015 -1.180 -1.954 1.00 0.00 O ATOM 661 CB ILE A 46 -3.311 0.229 0.581 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.075 1.014 1.024 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.189 -1.263 0.900 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.332 1.743 2.344 1.00 0.00 C ATOM 0 H ILE A 46 -3.836 2.490 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.828 -0.108 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.156 0.612 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.230 0.335 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.802 1.735 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.986 -1.392 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.121 -1.767 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.373 -1.694 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.437 2.293 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.162 2.439 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.580 1.017 3.118 1.00 0.00 H new ATOM 676 N HIS A 47 -5.994 0.655 -1.065 1.00 0.00 N ATOM 677 CA HIS A 47 -7.340 0.254 -1.437 1.00 0.00 C ATOM 678 C HIS A 47 -7.415 0.048 -2.951 1.00 0.00 C ATOM 679 O HIS A 47 -8.169 -0.797 -3.430 1.00 0.00 O ATOM 680 CB HIS A 47 -8.369 1.264 -0.924 1.00 0.00 C ATOM 681 CG HIS A 47 -9.562 1.440 -1.833 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.591 0.595 -2.127 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.788 2.597 -2.558 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.402 1.203 -2.984 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -10.905 2.444 -3.253 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.936 1.546 -0.572 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.583 -0.697 -0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.717 0.945 0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.881 2.229 -0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.716 -0.345 -1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.160 3.476 -2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.306 0.784 -3.400 1.00 0.00 H new ATOM 693 N SER A 48 -6.621 0.835 -3.663 1.00 0.00 N ATOM 694 CA SER A 48 -6.588 0.750 -5.113 1.00 0.00 C ATOM 695 C SER A 48 -6.056 -0.618 -5.545 1.00 0.00 C ATOM 696 O SER A 48 -6.219 -1.016 -6.697 1.00 0.00 O ATOM 697 CB SER A 48 -5.730 1.867 -5.711 1.00 0.00 C ATOM 698 OG SER A 48 -6.519 2.842 -6.387 1.00 0.00 O ATOM 0 H SER A 48 -5.996 1.534 -3.262 1.00 0.00 H new ATOM 0 HA SER A 48 -7.605 0.871 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.159 2.349 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.009 1.438 -6.407 1.00 0.00 H new ATOM 0 HG SER A 48 -5.935 3.539 -6.753 1.00 0.00 H new ATOM 704 N ILE A 49 -5.429 -1.299 -4.597 1.00 0.00 N ATOM 705 CA ILE A 49 -4.871 -2.614 -4.865 1.00 0.00 C ATOM 706 C ILE A 49 -5.629 -3.661 -4.047 1.00 0.00 C ATOM 707 O ILE A 49 -6.227 -4.578 -4.608 1.00 0.00 O ATOM 708 CB ILE A 49 -3.361 -2.616 -4.617 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.760 -1.233 -4.880 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.672 -3.706 -5.440 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.264 -1.216 -4.561 1.00 0.00 C ATOM 0 H ILE A 49 -5.295 -0.965 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.999 -2.875 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.188 -2.848 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.916 -0.957 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.274 -0.488 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.600 -3.686 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.073 -4.680 -5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.852 -3.529 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.862 -0.222 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.113 -1.469 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.750 -1.945 -5.187 1.00 0.00 H new ATOM 723 N THR A 50 -5.580 -3.490 -2.734 1.00 0.00 N ATOM 724 CA THR A 50 -6.255 -4.409 -1.834 1.00 0.00 C ATOM 725 C THR A 50 -7.725 -4.561 -2.231 1.00 0.00 C ATOM 726 O THR A 50 -8.302 -5.638 -2.088 1.00 0.00 O ATOM 727 CB THR A 50 -6.062 -3.898 -0.405 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.369 -2.509 -0.488 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.597 -3.930 0.036 1.00 0.00 C ATOM 0 H THR A 50 -5.083 -2.728 -2.272 1.00 0.00 H new ATOM 0 HA THR A 50 -5.828 -5.410 -1.898 1.00 0.00 H new ATOM 0 HB THR A 50 -6.660 -4.500 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.181 -2.186 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.516 -3.557 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.226 -4.954 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.003 -3.301 -0.628 1.00 0.00 H new ATOM 737 N GLY A 51 -8.289 -3.468 -2.722 1.00 0.00 N ATOM 738 CA GLY A 51 -9.680 -3.466 -3.141 1.00 0.00 C ATOM 739 C GLY A 51 -10.617 -3.402 -1.932 1.00 0.00 C ATOM 740 O GLY A 51 -11.836 -3.366 -2.089 1.00 0.00 O ATOM 0 H GLY A 51 -7.807 -2.577 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.865 -2.614 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.890 -4.364 -3.721 1.00 0.00 H new ATOM 744 N LEU A 52 -10.010 -3.390 -0.754 1.00 0.00 N ATOM 745 CA LEU A 52 -10.775 -3.332 0.480 1.00 0.00 C ATOM 746 C LEU A 52 -10.956 -1.870 0.893 1.00 0.00 C ATOM 747 O LEU A 52 -10.297 -0.982 0.354 1.00 0.00 O ATOM 748 CB LEU A 52 -10.120 -4.199 1.557 1.00 0.00 C ATOM 749 CG LEU A 52 -9.272 -3.456 2.592 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.446 -4.069 3.984 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.804 -3.409 2.166 1.00 0.00 C ATOM 0 H LEU A 52 -8.998 -3.419 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.772 -3.748 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.904 -4.744 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.490 -4.941 1.065 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.624 -2.426 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.833 -3.523 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.493 -4.007 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.136 -5.114 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.224 -2.876 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.422 -4.425 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.719 -2.893 1.210 1.00 0.00 H new ATOM 763 N PRO A 53 -11.876 -1.659 1.872 1.00 0.00 N ATOM 764 CA PRO A 53 -12.152 -0.320 2.365 1.00 0.00 C ATOM 765 C PRO A 53 -11.023 0.175 3.271 1.00 0.00 C ATOM 766 O PRO A 53 -10.374 -0.620 3.950 1.00 0.00 O ATOM 767 CB PRO A 53 -13.486 -0.433 3.084 1.00 0.00 C ATOM 768 CG PRO A 53 -13.681 -1.913 3.371 1.00 0.00 C ATOM 769 CD PRO A 53 -12.675 -2.686 2.535 1.00 0.00 C ATOM 0 HA PRO A 53 -12.207 0.419 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.482 0.147 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.296 -0.045 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.535 -2.119 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.698 -2.219 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.054 -3.330 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.174 -3.329 1.810 1.00 0.00 H new ATOM 777 N PRO A 54 -10.818 1.519 3.253 1.00 0.00 N ATOM 778 CA PRO A 54 -9.779 2.129 4.065 1.00 0.00 C ATOM 779 C PRO A 54 -10.191 2.177 5.537 1.00 0.00 C ATOM 780 O PRO A 54 -9.350 2.051 6.426 1.00 0.00 O ATOM 781 CB PRO A 54 -9.568 3.508 3.462 1.00 0.00 C ATOM 782 CG PRO A 54 -10.810 3.796 2.634 1.00 0.00 C ATOM 783 CD PRO A 54 -11.568 2.490 2.461 1.00 0.00 C ATOM 0 HA PRO A 54 -8.850 1.559 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.435 4.259 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.672 3.530 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.436 4.538 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.535 4.209 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.596 2.579 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.614 2.195 1.413 1.00 0.00 H new ATOM 791 N ALA A 55 -11.486 2.360 5.751 1.00 0.00 N ATOM 792 CA ALA A 55 -12.020 2.426 7.100 1.00 0.00 C ATOM 793 C ALA A 55 -11.650 1.147 7.854 1.00 0.00 C ATOM 794 O ALA A 55 -11.474 1.168 9.071 1.00 0.00 O ATOM 795 CB ALA A 55 -13.533 2.651 7.041 1.00 0.00 C ATOM 0 H ALA A 55 -12.181 2.465 5.012 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.587 3.266 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.933 2.700 8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.742 3.587 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.003 1.826 6.505 1.00 0.00 H new ATOM 801 N MET A 56 -11.544 0.063 7.099 1.00 0.00 N ATOM 802 CA MET A 56 -11.198 -1.223 7.681 1.00 0.00 C ATOM 803 C MET A 56 -9.756 -1.607 7.343 1.00 0.00 C ATOM 804 O MET A 56 -9.435 -2.789 7.229 1.00 0.00 O ATOM 805 CB MET A 56 -12.150 -2.296 7.149 1.00 0.00 C ATOM 806 CG MET A 56 -13.194 -2.673 8.203 1.00 0.00 C ATOM 807 SD MET A 56 -14.190 -4.032 7.616 1.00 0.00 S ATOM 808 CE MET A 56 -14.282 -5.014 9.104 1.00 0.00 C ATOM 0 H MET A 56 -11.692 0.049 6.090 1.00 0.00 H new ATOM 0 HA MET A 56 -11.290 -1.148 8.765 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.649 -1.932 6.251 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.582 -3.181 6.861 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.699 -2.949 9.134 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.829 -1.814 8.422 1.00 0.00 H new ATOM 0 HE1 MET A 56 -14.874 -5.909 8.913 1.00 0.00 H new ATOM 0 HE2 MET A 56 -13.277 -5.302 9.412 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.751 -4.431 9.896 1.00 0.00 H new ATOM 818 N GLN A 57 -8.925 -0.586 7.193 1.00 0.00 N ATOM 819 CA GLN A 57 -7.525 -0.802 6.870 1.00 0.00 C ATOM 820 C GLN A 57 -6.641 -0.414 8.057 1.00 0.00 C ATOM 821 O GLN A 57 -7.050 0.374 8.909 1.00 0.00 O ATOM 822 CB GLN A 57 -7.125 -0.028 5.613 1.00 0.00 C ATOM 823 CG GLN A 57 -7.183 -0.925 4.375 1.00 0.00 C ATOM 824 CD GLN A 57 -6.211 -0.437 3.299 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.004 -0.423 3.475 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.803 -0.038 2.176 1.00 0.00 N ATOM 0 H GLN A 57 -9.194 0.393 7.289 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.380 -1.863 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.790 0.825 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.117 0.369 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.939 -1.950 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.197 -0.936 3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.819 -0.076 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.241 0.305 1.397 1.00 0.00 H new ATOM 835 N LYS A 58 -5.445 -0.984 8.075 1.00 0.00 N ATOM 836 CA LYS A 58 -4.500 -0.707 9.144 1.00 0.00 C ATOM 837 C LYS A 58 -3.151 -0.315 8.537 1.00 0.00 C ATOM 838 O LYS A 58 -2.318 -1.176 8.258 1.00 0.00 O ATOM 839 CB LYS A 58 -4.419 -1.892 10.108 1.00 0.00 C ATOM 840 CG LYS A 58 -4.635 -1.439 11.553 1.00 0.00 C ATOM 841 CD LYS A 58 -6.018 -1.854 12.058 1.00 0.00 C ATOM 842 CE LYS A 58 -6.192 -1.500 13.536 1.00 0.00 C ATOM 843 NZ LYS A 58 -6.901 -2.586 14.249 1.00 0.00 N ATOM 0 H LYS A 58 -5.109 -1.636 7.367 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.839 0.139 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.170 -2.635 9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.446 -2.374 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.866 -1.872 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.530 -0.356 11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.788 -1.357 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.153 -2.927 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.217 -1.333 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.752 -0.569 13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.011 -2.330 15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.839 -2.726 13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.352 -3.466 14.175 1.00 0.00 H new ATOM 857 N VAL A 59 -2.978 0.985 8.351 1.00 0.00 N ATOM 858 CA VAL A 59 -1.744 1.501 7.782 1.00 0.00 C ATOM 859 C VAL A 59 -0.738 1.758 8.905 1.00 0.00 C ATOM 860 O VAL A 59 -0.853 2.743 9.634 1.00 0.00 O ATOM 861 CB VAL A 59 -2.036 2.748 6.944 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.908 3.015 5.946 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.383 2.625 6.229 1.00 0.00 C ATOM 0 H VAL A 59 -3.671 1.696 8.584 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.299 0.769 7.108 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.093 3.600 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.141 3.906 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.027 3.168 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.805 2.161 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.566 3.524 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.367 1.757 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.177 2.506 6.966 1.00 0.00 H new ATOM 873 N MET A 60 0.226 0.855 9.011 1.00 0.00 N ATOM 874 CA MET A 60 1.252 0.972 10.033 1.00 0.00 C ATOM 875 C MET A 60 2.569 0.353 9.561 1.00 0.00 C ATOM 876 O MET A 60 2.620 -0.831 9.233 1.00 0.00 O ATOM 877 CB MET A 60 0.784 0.267 11.308 1.00 0.00 C ATOM 878 CG MET A 60 0.308 1.279 12.352 1.00 0.00 C ATOM 879 SD MET A 60 0.031 0.462 13.914 1.00 0.00 S ATOM 880 CE MET A 60 1.717 0.124 14.390 1.00 0.00 C ATOM 0 H MET A 60 0.318 0.039 8.406 1.00 0.00 H new ATOM 0 HA MET A 60 1.421 2.030 10.233 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.026 -0.423 11.070 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.600 -0.328 11.719 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.051 2.067 12.472 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.612 1.757 12.014 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.795 0.124 15.477 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.015 -0.851 14.005 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.372 0.892 13.979 1.00 0.00 H new ATOM 890 N TYR A 61 3.602 1.183 9.543 1.00 0.00 N ATOM 891 CA TYR A 61 4.916 0.732 9.116 1.00 0.00 C ATOM 892 C TYR A 61 5.977 1.061 10.169 1.00 0.00 C ATOM 893 O TYR A 61 6.436 2.198 10.259 1.00 0.00 O ATOM 894 CB TYR A 61 5.231 1.505 7.834 1.00 0.00 C ATOM 895 CG TYR A 61 6.711 1.490 7.446 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.418 0.305 7.466 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.339 2.662 7.077 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.811 0.292 7.102 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.732 2.649 6.713 1.00 0.00 C ATOM 900 CZ TYR A 61 9.399 1.464 6.743 1.00 0.00 C ATOM 901 OH TYR A 61 10.715 1.452 6.399 1.00 0.00 O ATOM 0 H TYR A 61 3.556 2.164 9.817 1.00 0.00 H new ATOM 0 HA TYR A 61 4.921 -0.348 8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.647 1.084 7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.909 2.539 7.957 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.927 -0.612 7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.786 3.589 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.376 -0.628 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.236 3.559 6.423 1.00 0.00 H new ATOM 0 HH TYR A 61 11.000 2.360 6.165 1.00 0.00 H new ATOM 911 N LYS A 62 6.335 0.044 10.939 1.00 0.00 N ATOM 912 CA LYS A 62 7.333 0.210 11.982 1.00 0.00 C ATOM 913 C LYS A 62 7.000 1.456 12.806 1.00 0.00 C ATOM 914 O LYS A 62 7.884 2.054 13.418 1.00 0.00 O ATOM 915 CB LYS A 62 8.739 0.229 11.380 1.00 0.00 C ATOM 916 CG LYS A 62 9.280 -1.192 11.207 1.00 0.00 C ATOM 917 CD LYS A 62 10.206 -1.282 9.992 1.00 0.00 C ATOM 918 CE LYS A 62 11.629 -0.852 10.354 1.00 0.00 C ATOM 919 NZ LYS A 62 12.617 -1.785 9.767 1.00 0.00 N ATOM 0 H LYS A 62 5.952 -0.898 10.861 1.00 0.00 H new ATOM 0 HA LYS A 62 7.315 -0.639 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.718 0.734 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.407 0.800 12.025 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.822 -1.490 12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.450 -1.889 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.216 -2.304 9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.824 -0.649 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.814 0.159 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.743 -0.827 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.578 -1.479 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.450 -2.744 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.518 -1.789 8.732 1.00 0.00 H new ATOM 933 N GLY A 63 5.724 1.810 12.795 1.00 0.00 N ATOM 934 CA GLY A 63 5.263 2.974 13.534 1.00 0.00 C ATOM 935 C GLY A 63 4.012 3.573 12.889 1.00 0.00 C ATOM 936 O GLY A 63 3.760 3.364 11.703 1.00 0.00 O ATOM 0 H GLY A 63 4.994 1.312 12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.046 2.692 14.564 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.053 3.724 13.568 1.00 0.00 H new ATOM 940 N LEU A 64 3.262 4.307 13.698 1.00 0.00 N ATOM 941 CA LEU A 64 2.043 4.938 13.220 1.00 0.00 C ATOM 942 C LEU A 64 2.377 5.856 12.042 1.00 0.00 C ATOM 943 O LEU A 64 3.422 6.504 12.032 1.00 0.00 O ATOM 944 CB LEU A 64 1.323 5.648 14.368 1.00 0.00 C ATOM 945 CG LEU A 64 0.483 4.758 15.286 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.935 4.587 14.736 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.171 3.413 15.525 1.00 0.00 C ATOM 0 H LEU A 64 3.475 4.479 14.681 1.00 0.00 H new ATOM 0 HA LEU A 64 1.344 4.187 12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.068 6.162 14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.674 6.414 13.945 1.00 0.00 H new ATOM 0 HG LEU A 64 0.396 5.251 16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.511 3.950 15.407 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.416 5.562 14.659 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.889 4.127 13.749 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.553 2.800 16.181 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.309 2.901 14.573 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.142 3.579 15.992 1.00 0.00 H new ATOM 959 N VAL A 65 1.469 5.881 11.078 1.00 0.00 N ATOM 960 CA VAL A 65 1.653 6.708 9.898 1.00 0.00 C ATOM 961 C VAL A 65 0.688 7.894 9.955 1.00 0.00 C ATOM 962 O VAL A 65 -0.527 7.713 9.891 1.00 0.00 O ATOM 963 CB VAL A 65 1.486 5.862 8.634 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.224 6.746 7.413 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.705 4.965 8.410 1.00 0.00 C ATOM 0 H VAL A 65 0.603 5.342 11.090 1.00 0.00 H new ATOM 0 HA VAL A 65 2.665 7.113 9.871 1.00 0.00 H new ATOM 0 HB VAL A 65 0.617 5.218 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.109 6.120 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.313 7.323 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.063 7.426 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.561 4.374 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.596 5.583 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.828 4.298 9.263 1.00 0.00 H new ATOM 975 N PRO A 66 1.281 9.112 10.078 1.00 0.00 N ATOM 976 CA PRO A 66 0.486 10.327 10.145 1.00 0.00 C ATOM 977 C PRO A 66 -0.067 10.697 8.767 1.00 0.00 C ATOM 978 O PRO A 66 0.615 10.532 7.757 1.00 0.00 O ATOM 979 CB PRO A 66 1.426 11.380 10.711 1.00 0.00 C ATOM 980 CG PRO A 66 2.831 10.839 10.504 1.00 0.00 C ATOM 981 CD PRO A 66 2.716 9.364 10.157 1.00 0.00 C ATOM 0 HA PRO A 66 -0.396 10.219 10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.296 12.334 10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.226 11.554 11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.335 11.381 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.429 10.974 11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.210 9.140 9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.186 8.741 10.918 1.00 0.00 H new ATOM 989 N GLU A 67 -1.297 11.189 8.772 1.00 0.00 N ATOM 990 CA GLU A 67 -1.949 11.584 7.535 1.00 0.00 C ATOM 991 C GLU A 67 -1.650 13.051 7.221 1.00 0.00 C ATOM 992 O GLU A 67 -1.881 13.511 6.104 1.00 0.00 O ATOM 993 CB GLU A 67 -3.457 11.335 7.607 1.00 0.00 C ATOM 994 CG GLU A 67 -3.756 9.877 7.960 1.00 0.00 C ATOM 995 CD GLU A 67 -5.184 9.498 7.562 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.607 9.943 6.473 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.820 8.772 8.355 1.00 0.00 O ATOM 0 H GLU A 67 -1.859 11.323 9.613 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.551 10.972 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.902 11.992 8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.916 11.583 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.047 9.223 7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.620 9.723 9.030 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.140 13.746 8.228 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.806 15.152 8.074 1.00 0.00 C ATOM 1006 C ASP A 68 0.571 15.276 7.420 1.00 0.00 C ATOM 1007 O ASP A 68 0.960 16.358 6.983 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.751 15.857 9.430 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.689 17.057 9.574 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.856 16.919 9.148 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.218 18.085 10.107 1.00 0.00 O ATOM 0 H ASP A 68 -0.950 13.361 9.153 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.576 15.616 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.990 15.133 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.271 16.191 9.608 1.00 0.00 H new ATOM 1016 N LYS A 69 1.272 14.153 7.373 1.00 0.00 N ATOM 1017 CA LYS A 69 2.599 14.122 6.780 1.00 0.00 C ATOM 1018 C LYS A 69 2.652 13.022 5.718 1.00 0.00 C ATOM 1019 O LYS A 69 2.038 11.969 5.879 1.00 0.00 O ATOM 1020 CB LYS A 69 3.668 13.982 7.866 1.00 0.00 C ATOM 1021 CG LYS A 69 3.547 15.101 8.902 1.00 0.00 C ATOM 1022 CD LYS A 69 4.801 15.978 8.910 1.00 0.00 C ATOM 1023 CE LYS A 69 5.263 16.260 10.341 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.501 17.390 10.918 1.00 0.00 N ATOM 0 H LYS A 69 0.946 13.257 7.736 1.00 0.00 H new ATOM 0 HA LYS A 69 2.813 15.064 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.568 13.014 8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.659 14.008 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.672 15.713 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.394 14.670 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.599 15.483 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.595 16.918 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.127 15.370 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.328 16.491 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.827 17.568 11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.652 18.242 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.488 17.155 10.930 1.00 0.00 H new ATOM 1038 N THR A 70 3.393 13.305 4.656 1.00 0.00 N ATOM 1039 CA THR A 70 3.535 12.353 3.568 1.00 0.00 C ATOM 1040 C THR A 70 4.597 11.306 3.910 1.00 0.00 C ATOM 1041 O THR A 70 5.330 11.457 4.886 1.00 0.00 O ATOM 1042 CB THR A 70 3.844 13.137 2.291 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.206 13.529 2.446 1.00 0.00 O ATOM 1044 CG2 THR A 70 3.081 14.461 2.218 1.00 0.00 C ATOM 0 H THR A 70 3.901 14.180 4.526 1.00 0.00 H new ATOM 0 HA THR A 70 2.613 11.794 3.409 1.00 0.00 H new ATOM 0 HB THR A 70 3.597 12.528 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.490 14.042 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.336 14.978 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.009 14.265 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.353 15.085 3.069 1.00 0.00 H new ATOM 1052 N LEU A 71 4.645 10.268 3.089 1.00 0.00 N ATOM 1053 CA LEU A 71 5.605 9.196 3.292 1.00 0.00 C ATOM 1054 C LEU A 71 6.998 9.796 3.492 1.00 0.00 C ATOM 1055 O LEU A 71 7.655 9.526 4.496 1.00 0.00 O ATOM 1056 CB LEU A 71 5.530 8.185 2.146 1.00 0.00 C ATOM 1057 CG LEU A 71 4.133 7.664 1.802 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.879 7.731 0.294 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.921 6.254 2.357 1.00 0.00 C ATOM 0 H LEU A 71 4.034 10.146 2.281 1.00 0.00 H new ATOM 0 HA LEU A 71 5.365 8.636 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.955 8.645 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.162 7.333 2.397 1.00 0.00 H new ATOM 0 HG LEU A 71 3.399 8.312 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.879 7.355 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.959 8.765 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.617 7.121 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.920 5.908 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.661 5.579 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.030 6.270 3.441 1.00 0.00 H new ATOM 1071 N ARG A 72 7.407 10.599 2.521 1.00 0.00 N ATOM 1072 CA ARG A 72 8.710 11.239 2.578 1.00 0.00 C ATOM 1073 C ARG A 72 8.885 11.968 3.912 1.00 0.00 C ATOM 1074 O ARG A 72 10.009 12.243 4.330 1.00 0.00 O ATOM 1075 CB ARG A 72 8.883 12.238 1.432 1.00 0.00 C ATOM 1076 CG ARG A 72 10.311 12.786 1.394 1.00 0.00 C ATOM 1077 CD ARG A 72 10.310 14.308 1.240 1.00 0.00 C ATOM 1078 NE ARG A 72 10.764 14.680 -0.119 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.952 14.335 -0.635 1.00 0.00 C ATOM 1080 NH1 ARG A 72 12.812 13.609 0.092 1.00 0.00 N ATOM 1081 NH2 ARG A 72 12.279 14.717 -1.877 1.00 0.00 N ATOM 0 H ARG A 72 6.859 10.821 1.690 1.00 0.00 H new ATOM 0 HA ARG A 72 9.467 10.460 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.650 11.753 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.177 13.060 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.835 12.510 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.856 12.333 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.308 14.699 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.964 14.758 1.987 1.00 0.00 H new ATOM 0 HE ARG A 72 10.133 15.233 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.562 13.319 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.716 13.346 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.624 15.270 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.183 14.455 -2.270 1.00 0.00 H new ATOM 1095 N GLU A 73 7.757 12.258 4.544 1.00 0.00 N ATOM 1096 CA GLU A 73 7.772 12.949 5.822 1.00 0.00 C ATOM 1097 C GLU A 73 7.677 11.943 6.970 1.00 0.00 C ATOM 1098 O GLU A 73 8.338 12.101 7.995 1.00 0.00 O ATOM 1099 CB GLU A 73 6.644 13.980 5.901 1.00 0.00 C ATOM 1100 CG GLU A 73 6.891 15.138 4.932 1.00 0.00 C ATOM 1101 CD GLU A 73 7.847 16.167 5.538 1.00 0.00 C ATOM 1102 OE1 GLU A 73 7.337 17.092 6.207 1.00 0.00 O ATOM 1103 OE2 GLU A 73 9.067 16.005 5.320 1.00 0.00 O ATOM 0 H GLU A 73 6.827 12.027 4.195 1.00 0.00 H new ATOM 0 HA GLU A 73 8.717 13.485 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.693 13.502 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.567 14.363 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.307 14.755 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.944 15.618 4.685 1.00 0.00 H new ATOM 1110 N ILE A 74 6.848 10.931 6.761 1.00 0.00 N ATOM 1111 CA ILE A 74 6.658 9.899 7.766 1.00 0.00 C ATOM 1112 C ILE A 74 7.921 9.040 7.855 1.00 0.00 C ATOM 1113 O ILE A 74 8.047 8.205 8.749 1.00 0.00 O ATOM 1114 CB ILE A 74 5.388 9.096 7.475 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.698 7.876 6.605 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.308 9.984 6.855 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.886 6.624 7.462 1.00 0.00 C ATOM 0 H ILE A 74 6.300 10.804 5.910 1.00 0.00 H new ATOM 0 HA ILE A 74 6.507 10.347 8.748 1.00 0.00 H new ATOM 0 HB ILE A 74 4.994 8.724 8.421 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.887 7.716 5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.600 8.061 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.416 9.389 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.061 10.791 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.676 10.406 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.105 5.772 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.714 6.778 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.973 6.428 8.025 1.00 0.00 H new ATOM 1129 N LYS A 75 8.826 9.276 6.916 1.00 0.00 N ATOM 1130 CA LYS A 75 10.075 8.535 6.877 1.00 0.00 C ATOM 1131 C LYS A 75 9.858 7.216 6.132 1.00 0.00 C ATOM 1132 O LYS A 75 9.685 6.169 6.753 1.00 0.00 O ATOM 1133 CB LYS A 75 10.637 8.357 8.289 1.00 0.00 C ATOM 1134 CG LYS A 75 12.146 8.608 8.315 1.00 0.00 C ATOM 1135 CD LYS A 75 12.585 9.170 9.668 1.00 0.00 C ATOM 1136 CE LYS A 75 13.957 8.624 10.069 1.00 0.00 C ATOM 1137 NZ LYS A 75 13.810 7.508 11.030 1.00 0.00 N ATOM 0 H LYS A 75 8.719 9.970 6.176 1.00 0.00 H new ATOM 0 HA LYS A 75 10.831 9.093 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.139 9.045 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.427 7.348 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.677 7.677 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.416 9.306 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.623 10.258 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.850 8.911 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.491 8.281 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.555 9.419 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.750 7.149 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.319 7.846 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.257 6.743 10.592 1.00 0.00 H new ATOM 1151 N VAL A 76 9.874 7.311 4.810 1.00 0.00 N ATOM 1152 CA VAL A 76 9.681 6.139 3.973 1.00 0.00 C ATOM 1153 C VAL A 76 10.840 6.030 2.980 1.00 0.00 C ATOM 1154 O VAL A 76 11.435 7.038 2.603 1.00 0.00 O ATOM 1155 CB VAL A 76 8.313 6.203 3.291 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.211 5.167 2.169 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.184 6.022 4.308 1.00 0.00 C ATOM 0 H VAL A 76 10.018 8.182 4.298 1.00 0.00 H new ATOM 0 HA VAL A 76 9.686 5.232 4.578 1.00 0.00 H new ATOM 0 HB VAL A 76 8.207 7.192 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.229 5.233 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.982 5.361 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.349 4.168 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.223 6.072 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.286 5.053 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.238 6.813 5.056 1.00 0.00 H new ATOM 1167 N THR A 77 11.124 4.798 2.585 1.00 0.00 N ATOM 1168 CA THR A 77 12.201 4.545 1.643 1.00 0.00 C ATOM 1169 C THR A 77 11.824 3.405 0.695 1.00 0.00 C ATOM 1170 O THR A 77 10.778 2.778 0.858 1.00 0.00 O ATOM 1171 CB THR A 77 13.476 4.272 2.444 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.111 3.215 3.328 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.840 5.429 3.376 1.00 0.00 C ATOM 0 H THR A 77 10.627 3.964 2.900 1.00 0.00 H new ATOM 0 HA THR A 77 12.379 5.411 1.005 1.00 0.00 H new ATOM 0 HB THR A 77 14.302 4.084 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.881 2.973 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.752 5.184 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.000 6.333 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.028 5.595 4.084 1.00 0.00 H new ATOM 1181 N SER A 78 12.695 3.171 -0.275 1.00 0.00 N ATOM 1182 CA SER A 78 12.466 2.117 -1.249 1.00 0.00 C ATOM 1183 C SER A 78 12.562 0.748 -0.572 1.00 0.00 C ATOM 1184 O SER A 78 13.656 0.284 -0.254 1.00 0.00 O ATOM 1185 CB SER A 78 13.465 2.208 -2.404 1.00 0.00 C ATOM 1186 OG SER A 78 13.157 1.292 -3.451 1.00 0.00 O ATOM 0 H SER A 78 13.561 3.693 -0.408 1.00 0.00 H new ATOM 0 HA SER A 78 11.464 2.243 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.469 3.223 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.469 2.008 -2.031 1.00 0.00 H new ATOM 0 HG SER A 78 13.817 1.383 -4.170 1.00 0.00 H new ATOM 1192 N GLY A 79 11.402 0.141 -0.371 1.00 0.00 N ATOM 1193 CA GLY A 79 11.341 -1.165 0.263 1.00 0.00 C ATOM 1194 C GLY A 79 10.633 -1.085 1.617 1.00 0.00 C ATOM 1195 O GLY A 79 10.796 -1.967 2.459 1.00 0.00 O ATOM 0 H GLY A 79 10.497 0.529 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.814 -1.864 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.350 -1.555 0.399 1.00 0.00 H new ATOM 1199 N ALA A 80 9.863 -0.020 1.784 1.00 0.00 N ATOM 1200 CA ALA A 80 9.130 0.186 3.021 1.00 0.00 C ATOM 1201 C ALA A 80 7.961 -0.800 3.088 1.00 0.00 C ATOM 1202 O ALA A 80 7.108 -0.817 2.202 1.00 0.00 O ATOM 1203 CB ALA A 80 8.669 1.643 3.105 1.00 0.00 C ATOM 0 H ALA A 80 9.731 0.709 1.083 1.00 0.00 H new ATOM 0 HA ALA A 80 9.771 -0.004 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.119 1.798 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.538 2.301 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.022 1.869 2.258 1.00 0.00 H new ATOM 1209 N LYS A 81 7.960 -1.596 4.147 1.00 0.00 N ATOM 1210 CA LYS A 81 6.911 -2.582 4.340 1.00 0.00 C ATOM 1211 C LYS A 81 5.611 -1.870 4.717 1.00 0.00 C ATOM 1212 O LYS A 81 5.633 -0.854 5.411 1.00 0.00 O ATOM 1213 CB LYS A 81 7.350 -3.639 5.356 1.00 0.00 C ATOM 1214 CG LYS A 81 6.525 -4.919 5.206 1.00 0.00 C ATOM 1215 CD LYS A 81 7.329 -6.008 4.491 1.00 0.00 C ATOM 1216 CE LYS A 81 7.786 -7.087 5.475 1.00 0.00 C ATOM 1217 NZ LYS A 81 9.255 -7.040 5.650 1.00 0.00 N ATOM 0 H LYS A 81 8.669 -1.578 4.880 1.00 0.00 H new ATOM 0 HA LYS A 81 6.721 -3.123 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.407 -3.865 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.238 -3.246 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.217 -5.275 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.615 -4.706 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.720 -6.459 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.197 -5.564 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.294 -6.942 6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.489 -8.070 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.549 -7.779 6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.719 -7.201 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.531 -6.108 6.019 1.00 0.00 H new ATOM 1231 N ILE A 82 4.507 -2.429 4.242 1.00 0.00 N ATOM 1232 CA ILE A 82 3.200 -1.860 4.520 1.00 0.00 C ATOM 1233 C ILE A 82 2.223 -2.985 4.870 1.00 0.00 C ATOM 1234 O ILE A 82 1.839 -3.769 4.004 1.00 0.00 O ATOM 1235 CB ILE A 82 2.738 -0.984 3.354 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.767 0.104 3.044 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.349 -0.401 3.624 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.674 1.250 4.054 1.00 0.00 C ATOM 0 H ILE A 82 4.492 -3.271 3.666 1.00 0.00 H new ATOM 0 HA ILE A 82 3.248 -1.199 5.385 1.00 0.00 H new ATOM 0 HB ILE A 82 2.657 -1.611 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.770 -0.323 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.604 0.488 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.044 0.218 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.633 -1.212 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.379 0.208 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.416 2.010 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.678 1.690 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.862 0.867 5.057 1.00 0.00 H new ATOM 1250 N MET A 83 1.849 -3.027 6.140 1.00 0.00 N ATOM 1251 CA MET A 83 0.924 -4.042 6.615 1.00 0.00 C ATOM 1252 C MET A 83 -0.524 -3.560 6.502 1.00 0.00 C ATOM 1253 O MET A 83 -0.820 -2.401 6.789 1.00 0.00 O ATOM 1254 CB MET A 83 1.239 -4.377 8.074 1.00 0.00 C ATOM 1255 CG MET A 83 2.093 -5.643 8.174 1.00 0.00 C ATOM 1256 SD MET A 83 3.819 -5.205 8.306 1.00 0.00 S ATOM 1257 CE MET A 83 4.568 -6.777 7.915 1.00 0.00 C ATOM 0 H MET A 83 2.170 -2.374 6.855 1.00 0.00 H new ATOM 0 HA MET A 83 1.040 -4.932 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.765 -3.542 8.537 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.310 -4.516 8.628 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.790 -6.228 9.042 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.934 -6.269 7.296 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.487 -6.895 8.489 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.877 -7.582 8.167 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.798 -6.816 6.850 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.387 -4.474 6.084 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.797 -4.157 5.931 1.00 0.00 C ATOM 1269 C VAL A 84 -3.636 -5.243 6.606 1.00 0.00 C ATOM 1270 O VAL A 84 -3.182 -6.376 6.763 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.134 -3.976 4.449 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.573 -3.488 4.270 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.144 -3.024 3.774 1.00 0.00 C ATOM 0 H VAL A 84 -1.137 -5.434 5.846 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.032 -3.213 6.422 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.047 -4.948 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.787 -3.367 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.260 -4.217 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.698 -2.531 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.406 -2.913 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.184 -2.051 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.136 -3.430 3.856 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.846 -4.860 6.987 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.753 -5.788 7.642 1.00 0.00 C ATOM 1285 C VAL A 85 -6.976 -6.013 6.752 1.00 0.00 C ATOM 1286 O VAL A 85 -7.168 -5.304 5.764 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.115 -5.270 9.036 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.940 -3.985 8.945 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -6.852 -6.339 9.844 1.00 0.00 C ATOM 0 H VAL A 85 -5.219 -3.920 6.855 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.272 -6.756 7.784 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.187 -5.037 9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.184 -3.638 9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.364 -3.219 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.860 -4.182 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.097 -5.945 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.770 -6.618 9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.215 -7.217 9.952 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.772 -7.001 7.132 1.00 0.00 N ATOM 1300 CA GLY A 86 -8.971 -7.328 6.380 1.00 0.00 C ATOM 1301 C GLY A 86 -9.011 -8.818 6.031 1.00 0.00 C ATOM 1302 O GLY A 86 -8.133 -9.578 6.438 1.00 0.00 O ATOM 0 H GLY A 86 -7.610 -7.586 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.853 -7.064 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.004 -6.736 5.466 1.00 0.00 H new ATOM 1306 N SER A 87 -10.038 -9.190 5.281 1.00 0.00 N ATOM 1307 CA SER A 87 -10.203 -10.575 4.873 1.00 0.00 C ATOM 1308 C SER A 87 -11.224 -10.667 3.737 1.00 0.00 C ATOM 1309 O SER A 87 -10.884 -11.061 2.623 1.00 0.00 O ATOM 1310 CB SER A 87 -10.640 -11.448 6.051 1.00 0.00 C ATOM 1311 OG SER A 87 -9.534 -12.097 6.673 1.00 0.00 O ATOM 0 H SER A 87 -10.764 -8.557 4.945 1.00 0.00 H new ATOM 0 HA SER A 87 -9.240 -10.945 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.159 -10.832 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.351 -12.197 5.703 1.00 0.00 H new ATOM 0 HG SER A 87 -8.791 -11.464 6.762 1.00 0.00 H new ATOM 1317 N THR A 88 -12.455 -10.297 4.059 1.00 0.00 N ATOM 1318 CA THR A 88 -13.527 -10.333 3.079 1.00 0.00 C ATOM 1319 C THR A 88 -13.784 -8.933 2.517 1.00 0.00 C ATOM 1320 O THR A 88 -14.108 -8.010 3.264 1.00 0.00 O ATOM 1321 CB THR A 88 -14.756 -10.954 3.746 1.00 0.00 C ATOM 1322 OG1 THR A 88 -14.482 -12.353 3.745 1.00 0.00 O ATOM 1323 CG2 THR A 88 -16.017 -10.821 2.890 1.00 0.00 C ATOM 0 H THR A 88 -12.734 -9.971 4.984 1.00 0.00 H new ATOM 0 HA THR A 88 -13.258 -10.949 2.221 1.00 0.00 H new ATOM 0 HB THR A 88 -14.922 -10.480 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.228 -12.833 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.859 -11.278 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.228 -9.766 2.714 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.863 -11.324 1.935 1.00 0.00 H new ATOM 1331 N ILE A 89 -13.629 -8.819 1.206 1.00 0.00 N ATOM 1332 CA ILE A 89 -13.839 -7.547 0.536 1.00 0.00 C ATOM 1333 C ILE A 89 -15.212 -6.993 0.923 1.00 0.00 C ATOM 1334 O ILE A 89 -16.066 -7.728 1.416 1.00 0.00 O ATOM 1335 CB ILE A 89 -13.641 -7.698 -0.973 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -13.444 -6.334 -1.640 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -14.794 -8.482 -1.603 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -12.872 -6.491 -3.050 1.00 0.00 C ATOM 0 H ILE A 89 -13.361 -9.586 0.590 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.097 -6.818 0.861 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.731 -8.274 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -14.397 -5.807 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -12.772 -5.724 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.628 -8.574 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.845 -9.475 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.732 -7.956 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.742 -5.507 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.908 -6.997 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.558 -7.081 -3.657 1.00 0.00 H new ATOM 1350 N SER A 90 -15.381 -5.700 0.686 1.00 0.00 N ATOM 1351 CA SER A 90 -16.635 -5.038 1.003 1.00 0.00 C ATOM 1352 C SER A 90 -16.686 -3.664 0.334 1.00 0.00 C ATOM 1353 O SER A 90 -15.733 -2.891 0.423 1.00 0.00 O ATOM 1354 CB SER A 90 -16.816 -4.899 2.516 1.00 0.00 C ATOM 1355 OG SER A 90 -18.174 -5.075 2.910 1.00 0.00 O ATOM 0 H SER A 90 -14.670 -5.093 0.278 1.00 0.00 H new ATOM 0 HA SER A 90 -17.451 -5.651 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.193 -5.635 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.471 -3.915 2.833 1.00 0.00 H new ATOM 0 HG SER A 90 -18.247 -4.980 3.883 1.00 0.00 H new ATOM 1361 N GLY A 91 -17.807 -3.401 -0.321 1.00 0.00 N ATOM 1362 CA GLY A 91 -17.994 -2.133 -1.006 1.00 0.00 C ATOM 1363 C GLY A 91 -19.053 -1.282 -0.302 1.00 0.00 C ATOM 1364 O GLY A 91 -19.796 -1.781 0.542 1.00 0.00 O ATOM 0 H GLY A 91 -18.595 -4.044 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -17.049 -1.590 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -18.294 -2.314 -2.038 1.00 0.00 H new ATOM 1368 N PRO A 92 -19.089 0.023 -0.685 1.00 0.00 N ATOM 1369 CA PRO A 92 -20.045 0.948 -0.101 1.00 0.00 C ATOM 1370 C PRO A 92 -21.450 0.710 -0.657 1.00 0.00 C ATOM 1371 O PRO A 92 -21.643 -0.147 -1.518 1.00 0.00 O ATOM 1372 CB PRO A 92 -19.503 2.331 -0.427 1.00 0.00 C ATOM 1373 CG PRO A 92 -18.523 2.135 -1.572 1.00 0.00 C ATOM 1374 CD PRO A 92 -18.225 0.649 -1.681 1.00 0.00 C ATOM 0 HA PRO A 92 -20.150 0.819 0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.308 3.008 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.009 2.771 0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.946 2.509 -2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.606 2.696 -1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -18.439 0.275 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.174 0.440 -1.481 1.00 0.00 H new ATOM 1382 N SER A 93 -22.394 1.484 -0.142 1.00 0.00 N ATOM 1383 CA SER A 93 -23.776 1.367 -0.577 1.00 0.00 C ATOM 1384 C SER A 93 -24.126 2.518 -1.523 1.00 0.00 C ATOM 1385 O SER A 93 -24.518 2.289 -2.666 1.00 0.00 O ATOM 1386 CB SER A 93 -24.730 1.355 0.619 1.00 0.00 C ATOM 1387 OG SER A 93 -25.941 0.662 0.328 1.00 0.00 O ATOM 0 H SER A 93 -22.230 2.194 0.572 1.00 0.00 H new ATOM 0 HA SER A 93 -23.889 0.422 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.238 0.884 1.470 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.960 2.380 0.910 1.00 0.00 H new ATOM 0 HG SER A 93 -26.523 0.675 1.117 1.00 0.00 H new ATOM 1393 N SER A 94 -23.970 3.730 -1.011 1.00 0.00 N ATOM 1394 CA SER A 94 -24.264 4.917 -1.796 1.00 0.00 C ATOM 1395 C SER A 94 -23.008 5.379 -2.538 1.00 0.00 C ATOM 1396 O SER A 94 -23.004 5.468 -3.764 1.00 0.00 O ATOM 1397 CB SER A 94 -24.803 6.043 -0.911 1.00 0.00 C ATOM 1398 OG SER A 94 -25.825 6.792 -1.564 1.00 0.00 O ATOM 0 H SER A 94 -23.644 3.916 -0.063 1.00 0.00 H new ATOM 0 HA SER A 94 -25.035 4.663 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 94 -25.197 5.621 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.986 6.709 -0.634 1.00 0.00 H new ATOM 0 HG SER A 94 -26.144 7.500 -0.966 1.00 0.00 H new ATOM 1404 N GLY A 95 -21.972 5.661 -1.762 1.00 0.00 N ATOM 1405 CA GLY A 95 -20.713 6.112 -2.329 1.00 0.00 C ATOM 1406 C GLY A 95 -20.294 7.458 -1.735 1.00 0.00 C ATOM 1407 O GLY A 95 -19.346 8.082 -2.209 1.00 0.00 O ATOM 0 H GLY A 95 -21.979 5.586 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.938 5.370 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.809 6.202 -3.411 1.00 0.00 H new TER 1411 GLY A 95