USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 180:sc= 0.266 USER MOD Set 1.2: A 71 TYR OH : rot -40:sc= 0.285 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 THR OG1 : rot 84:sc= 1.17 USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0.987 USER MOD Single : A 10 GLN : amide:sc= 1.22 K(o=1.2,f=-6.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -177:sc= -0.412 (180deg=-0.417) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 17 MET CE :methyl -176:sc= -0.367 (180deg=-0.409) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -150:sc= 0.00103 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 92:sc= 1.14 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.396 -5.029 -15.469 1.00 0.00 N ATOM 14 CA LEU A 7 -5.069 -4.325 -14.232 1.00 0.00 C ATOM 15 C LEU A 7 -3.630 -3.786 -14.281 1.00 0.00 C ATOM 16 O LEU A 7 -2.939 -3.886 -15.303 1.00 0.00 O ATOM 17 CB LEU A 7 -5.323 -5.290 -13.049 1.00 0.00 C ATOM 18 CG LEU A 7 -4.591 -6.650 -13.106 1.00 0.00 C ATOM 19 CD1 LEU A 7 -3.062 -6.570 -13.009 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.133 -7.558 -11.991 1.00 0.00 C ATOM 0 HA LEU A 7 -5.704 -3.449 -14.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.035 -4.785 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.394 -5.480 -12.987 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.795 -7.059 -14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.641 -7.574 -13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.676 -5.974 -13.836 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.781 -6.105 -12.064 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.622 -8.520 -12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.960 -7.088 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.203 -7.711 -12.134 1.00 0.00 H new ATOM 31 N LYS A 8 -3.157 -3.267 -13.151 1.00 0.00 N ATOM 32 CA LYS A 8 -1.817 -2.698 -13.007 1.00 0.00 C ATOM 33 C LYS A 8 -1.191 -2.998 -11.633 1.00 0.00 C ATOM 34 O LYS A 8 -1.907 -3.082 -10.633 1.00 0.00 O ATOM 35 CB LYS A 8 -1.911 -1.198 -13.313 1.00 0.00 C ATOM 36 CG LYS A 8 -2.876 -0.433 -12.383 1.00 0.00 C ATOM 37 CD LYS A 8 -2.811 1.095 -12.535 1.00 0.00 C ATOM 38 CE LYS A 8 -1.471 1.665 -12.049 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.476 3.147 -12.010 1.00 0.00 N ATOM 0 H LYS A 8 -3.705 -3.229 -12.291 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.136 -3.168 -13.716 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.917 -0.757 -13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.235 -1.067 -14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.895 -0.765 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.652 -0.695 -11.349 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.960 1.362 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.625 1.550 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.252 1.277 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.672 1.323 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.552 3.489 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.659 3.519 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.221 3.475 -11.362 1.00 0.00 H new ATOM 49 N THR A 9 0.141 -3.145 -11.584 1.00 0.00 N ATOM 50 CA THR A 9 0.931 -3.317 -10.349 1.00 0.00 C ATOM 51 C THR A 9 1.772 -2.071 -10.076 1.00 0.00 C ATOM 52 O THR A 9 1.904 -1.213 -10.947 1.00 0.00 O ATOM 53 CB THR A 9 1.761 -4.608 -10.410 1.00 0.00 C ATOM 54 OG1 THR A 9 2.142 -4.952 -9.099 1.00 0.00 O ATOM 55 CG2 THR A 9 3.017 -4.510 -11.278 1.00 0.00 C ATOM 0 H THR A 9 0.718 -3.148 -12.425 1.00 0.00 H new ATOM 0 HA THR A 9 0.256 -3.428 -9.501 1.00 0.00 H new ATOM 0 HB THR A 9 1.129 -5.365 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.415 -5.446 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.543 -5.464 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.734 -4.265 -12.302 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.670 -3.730 -10.886 1.00 0.00 H new ATOM 63 N GLN A 10 2.340 -1.954 -8.878 1.00 0.00 N ATOM 64 CA GLN A 10 3.125 -0.807 -8.443 1.00 0.00 C ATOM 65 C GLN A 10 3.953 -1.205 -7.219 1.00 0.00 C ATOM 66 O GLN A 10 3.503 -2.004 -6.393 1.00 0.00 O ATOM 67 CB GLN A 10 2.188 0.387 -8.141 1.00 0.00 C ATOM 68 CG GLN A 10 2.859 1.682 -7.643 1.00 0.00 C ATOM 69 CD GLN A 10 3.896 2.267 -8.608 1.00 0.00 C ATOM 70 OE1 GLN A 10 4.877 1.628 -8.976 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.760 3.496 -9.045 1.00 0.00 N ATOM 0 H GLN A 10 2.263 -2.678 -8.164 1.00 0.00 H new ATOM 0 HA GLN A 10 3.809 -0.494 -9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.630 0.620 -9.048 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.462 0.070 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.087 2.430 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.342 1.482 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.956 4.053 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.459 3.894 -9.672 1.00 0.00 H new ATOM 78 N GLN A 11 5.147 -0.620 -7.102 1.00 0.00 N ATOM 79 CA GLN A 11 6.088 -0.828 -6.009 1.00 0.00 C ATOM 80 C GLN A 11 6.623 0.539 -5.545 1.00 0.00 C ATOM 81 O GLN A 11 6.913 1.403 -6.378 1.00 0.00 O ATOM 82 CB GLN A 11 7.205 -1.761 -6.501 1.00 0.00 C ATOM 83 CG GLN A 11 8.145 -2.256 -5.391 1.00 0.00 C ATOM 84 CD GLN A 11 9.408 -2.864 -5.991 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.554 -4.071 -6.158 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.339 -2.035 -6.402 1.00 0.00 N ATOM 0 H GLN A 11 5.496 0.039 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 11 5.610 -1.300 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.753 -2.624 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.794 -1.239 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.410 -1.427 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.634 -2.998 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.224 -1.031 -6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.178 -2.395 -6.857 1.00 0.00 H new ATOM 93 N MET A 12 6.750 0.764 -4.232 1.00 0.00 N ATOM 94 CA MET A 12 6.827 2.104 -3.630 1.00 0.00 C ATOM 95 C MET A 12 7.498 2.094 -2.249 1.00 0.00 C ATOM 96 O MET A 12 7.480 1.082 -1.549 1.00 0.00 O ATOM 97 CB MET A 12 5.405 2.693 -3.529 1.00 0.00 C ATOM 98 CG MET A 12 4.469 1.817 -2.677 1.00 0.00 C ATOM 99 SD MET A 12 2.733 2.318 -2.673 1.00 0.00 S ATOM 100 CE MET A 12 2.823 3.537 -1.346 1.00 0.00 C ATOM 0 H MET A 12 6.803 0.011 -3.546 1.00 0.00 H new ATOM 0 HA MET A 12 7.450 2.725 -4.274 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.458 3.692 -3.096 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.987 2.801 -4.530 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.533 0.790 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.833 1.818 -1.649 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.827 3.933 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.212 3.065 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.484 4.351 -1.644 1.00 0.00 H new ATOM 108 N GLN A 13 8.039 3.237 -1.831 1.00 0.00 N ATOM 109 CA GLN A 13 8.514 3.483 -0.468 1.00 0.00 C ATOM 110 C GLN A 13 7.351 3.891 0.458 1.00 0.00 C ATOM 111 O GLN A 13 6.456 4.632 0.039 1.00 0.00 O ATOM 112 CB GLN A 13 9.555 4.621 -0.499 1.00 0.00 C ATOM 113 CG GLN A 13 10.880 4.267 -1.194 1.00 0.00 C ATOM 114 CD GLN A 13 11.837 3.447 -0.331 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.601 3.174 0.839 1.00 0.00 O ATOM 116 NE2 GLN A 13 12.962 3.041 -0.868 1.00 0.00 N ATOM 0 H GLN A 13 8.163 4.040 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 13 8.958 2.565 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.116 5.482 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.769 4.926 0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.662 3.711 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.378 5.189 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.171 3.262 -1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.628 2.505 -0.312 1.00 0.00 H new ATOM 123 N VAL A 14 7.396 3.478 1.732 1.00 0.00 N ATOM 124 CA VAL A 14 6.417 3.871 2.772 1.00 0.00 C ATOM 125 C VAL A 14 7.122 4.523 3.970 1.00 0.00 C ATOM 126 O VAL A 14 8.280 4.209 4.241 1.00 0.00 O ATOM 127 CB VAL A 14 5.536 2.671 3.200 1.00 0.00 C ATOM 128 CG1 VAL A 14 6.264 1.598 4.014 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.266 3.118 3.937 1.00 0.00 C ATOM 0 H VAL A 14 8.122 2.852 2.081 1.00 0.00 H new ATOM 0 HA VAL A 14 5.749 4.617 2.342 1.00 0.00 H new ATOM 0 HB VAL A 14 5.258 2.202 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.568 0.799 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.086 1.190 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.658 2.040 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.681 2.242 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.542 3.672 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.672 3.758 3.284 1.00 0.00 H new ATOM 139 N GLY A 15 6.433 5.430 4.672 1.00 0.00 N ATOM 140 CA GLY A 15 6.951 6.201 5.807 1.00 0.00 C ATOM 141 C GLY A 15 6.600 5.569 7.154 1.00 0.00 C ATOM 142 O GLY A 15 5.551 5.861 7.729 1.00 0.00 O ATOM 0 H GLY A 15 5.462 5.655 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.034 6.285 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.548 7.213 5.768 1.00 0.00 H new ATOM 146 N GLY A 16 7.521 4.750 7.670 1.00 0.00 N ATOM 147 CA GLY A 16 7.525 4.222 9.041 1.00 0.00 C ATOM 148 C GLY A 16 7.807 2.724 9.185 1.00 0.00 C ATOM 149 O GLY A 16 8.204 2.300 10.269 1.00 0.00 O ATOM 0 H GLY A 16 8.317 4.422 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.272 4.769 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.556 4.434 9.493 1.00 0.00 H new ATOM 153 N MET A 17 7.618 1.906 8.142 1.00 0.00 N ATOM 154 CA MET A 17 7.627 0.440 8.287 1.00 0.00 C ATOM 155 C MET A 17 9.010 -0.166 8.535 1.00 0.00 C ATOM 156 O MET A 17 9.085 -1.188 9.222 1.00 0.00 O ATOM 157 CB MET A 17 6.941 -0.220 7.078 1.00 0.00 C ATOM 158 CG MET A 17 5.409 -0.061 7.074 1.00 0.00 C ATOM 159 SD MET A 17 4.743 1.624 7.206 1.00 0.00 S ATOM 160 CE MET A 17 2.992 1.281 6.959 1.00 0.00 C ATOM 0 H MET A 17 7.457 2.231 7.189 1.00 0.00 H new ATOM 0 HA MET A 17 7.060 0.226 9.193 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.345 0.211 6.162 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.188 -1.282 7.066 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.027 -0.503 6.154 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.007 -0.648 7.900 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.437 2.219 6.938 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.854 0.756 6.014 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.624 0.660 7.776 1.00 0.00 H new ATOM 219 N CYS A 22 5.369 -2.392 11.327 1.00 0.00 N ATOM 220 CA CYS A 22 4.183 -1.630 10.890 1.00 0.00 C ATOM 221 C CYS A 22 3.471 -2.134 9.608 1.00 0.00 C ATOM 222 O CYS A 22 2.537 -1.490 9.139 1.00 0.00 O ATOM 223 CB CYS A 22 4.555 -0.138 10.794 1.00 0.00 C ATOM 224 SG CYS A 22 5.111 0.488 12.407 1.00 0.00 S ATOM 0 HA CYS A 22 3.426 -1.794 11.657 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.343 -0.001 10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.694 0.436 10.452 1.00 0.00 H new ATOM 0 HG CYS A 22 5.420 1.746 12.301 1.00 0.00 H new ATOM 229 N ALA A 23 3.871 -3.269 9.026 1.00 0.00 N ATOM 230 CA ALA A 23 3.096 -3.941 7.977 1.00 0.00 C ATOM 231 C ALA A 23 1.746 -4.479 8.480 1.00 0.00 C ATOM 232 O ALA A 23 0.802 -4.583 7.699 1.00 0.00 O ATOM 233 CB ALA A 23 3.912 -5.111 7.422 1.00 0.00 C ATOM 0 H ALA A 23 4.739 -3.747 9.268 1.00 0.00 H new ATOM 0 HA ALA A 23 2.888 -3.198 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.341 -5.615 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.847 -4.737 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.130 -5.816 8.225 1.00 0.00 H new ATOM 239 N SER A 24 1.657 -4.857 9.759 1.00 0.00 N ATOM 240 CA SER A 24 0.543 -5.645 10.301 1.00 0.00 C ATOM 241 C SER A 24 -0.836 -5.013 10.073 1.00 0.00 C ATOM 242 O SER A 24 -1.747 -5.706 9.622 1.00 0.00 O ATOM 243 CB SER A 24 0.779 -5.894 11.798 1.00 0.00 C ATOM 244 OG SER A 24 1.896 -6.751 11.982 1.00 0.00 O ATOM 0 H SER A 24 2.364 -4.622 10.456 1.00 0.00 H new ATOM 0 HA SER A 24 0.527 -6.587 9.754 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.950 -4.947 12.309 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.109 -6.341 12.244 1.00 0.00 H new ATOM 0 HG SER A 24 2.038 -6.902 12.940 1.00 0.00 H new ATOM 249 N SER A 25 -0.983 -3.709 10.312 1.00 0.00 N ATOM 250 CA SER A 25 -2.210 -2.933 10.066 1.00 0.00 C ATOM 251 C SER A 25 -2.596 -2.895 8.577 1.00 0.00 C ATOM 252 O SER A 25 -3.748 -3.153 8.209 1.00 0.00 O ATOM 253 CB SER A 25 -2.017 -1.498 10.597 1.00 0.00 C ATOM 254 OG SER A 25 -0.794 -0.932 10.149 1.00 0.00 O ATOM 0 H SER A 25 -0.228 -3.140 10.695 1.00 0.00 H new ATOM 0 HA SER A 25 -3.026 -3.427 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.848 -0.874 10.269 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.036 -1.508 11.687 1.00 0.00 H new ATOM 0 HG SER A 25 -0.466 -0.293 10.816 1.00 0.00 H new ATOM 259 N ILE A 26 -1.611 -2.618 7.716 1.00 0.00 N ATOM 260 CA ILE A 26 -1.748 -2.485 6.259 1.00 0.00 C ATOM 261 C ILE A 26 -2.184 -3.806 5.622 1.00 0.00 C ATOM 262 O ILE A 26 -3.128 -3.834 4.827 1.00 0.00 O ATOM 263 CB ILE A 26 -0.403 -2.010 5.654 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.213 -0.782 6.357 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.528 -1.748 4.141 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.717 0.423 6.511 1.00 0.00 C ATOM 0 H ILE A 26 -0.651 -2.473 8.029 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.521 -1.746 6.048 1.00 0.00 H new ATOM 0 HB ILE A 26 0.287 -2.837 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.554 -1.085 7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.095 -0.469 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.433 -1.416 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.829 -2.666 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.277 -0.976 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.186 1.230 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.039 0.762 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.589 0.137 7.100 1.00 0.00 H new ATOM 277 N GLU A 27 -1.512 -4.900 5.985 1.00 0.00 N ATOM 278 CA GLU A 27 -1.785 -6.244 5.473 1.00 0.00 C ATOM 279 C GLU A 27 -3.048 -6.847 6.132 1.00 0.00 C ATOM 280 O GLU A 27 -3.616 -7.813 5.621 1.00 0.00 O ATOM 281 CB GLU A 27 -0.575 -7.166 5.744 1.00 0.00 C ATOM 282 CG GLU A 27 0.775 -6.722 5.146 1.00 0.00 C ATOM 283 CD GLU A 27 0.983 -7.095 3.677 1.00 0.00 C ATOM 284 OE1 GLU A 27 0.047 -6.963 2.857 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.113 -7.505 3.313 1.00 0.00 O ATOM 0 H GLU A 27 -0.746 -4.876 6.658 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.958 -6.167 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.455 -7.263 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.809 -8.158 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.862 -5.640 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.579 -7.163 5.735 1.00 0.00 H new ATOM 290 N ARG A 28 -3.516 -6.308 7.269 1.00 0.00 N ATOM 291 CA ARG A 28 -4.781 -6.703 7.911 1.00 0.00 C ATOM 292 C ARG A 28 -5.994 -6.070 7.221 1.00 0.00 C ATOM 293 O ARG A 28 -7.016 -6.736 7.068 1.00 0.00 O ATOM 294 CB ARG A 28 -4.712 -6.364 9.408 1.00 0.00 C ATOM 295 CG ARG A 28 -5.998 -6.622 10.203 1.00 0.00 C ATOM 296 CD ARG A 28 -5.696 -6.406 11.691 1.00 0.00 C ATOM 297 NE ARG A 28 -6.895 -6.556 12.527 1.00 0.00 N ATOM 298 CZ ARG A 28 -7.668 -5.584 12.993 1.00 0.00 C ATOM 299 NH1 ARG A 28 -7.503 -4.323 12.654 1.00 0.00 N ATOM 300 NH2 ARG A 28 -8.636 -5.870 13.830 1.00 0.00 N ATOM 0 H ARG A 28 -3.020 -5.575 7.776 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.915 -7.780 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.905 -6.943 9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.446 -5.312 9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.789 -5.948 9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.353 -7.638 10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.938 -7.120 12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.277 -5.410 11.834 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.161 -7.509 12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.757 -4.062 12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.121 -3.607 13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.791 -6.836 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.234 -5.127 14.192 1.00 0.00 H new ATOM 311 N ALA A 29 -5.894 -4.826 6.743 1.00 0.00 N ATOM 312 CA ALA A 29 -6.967 -4.193 5.965 1.00 0.00 C ATOM 313 C ALA A 29 -7.088 -4.725 4.521 1.00 0.00 C ATOM 314 O ALA A 29 -8.156 -4.606 3.924 1.00 0.00 O ATOM 315 CB ALA A 29 -6.756 -2.676 5.990 1.00 0.00 C ATOM 0 H ALA A 29 -5.076 -4.233 6.882 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.917 -4.451 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.545 -2.189 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.785 -2.322 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.788 -2.436 5.551 1.00 0.00 H new ATOM 321 N LEU A 30 -6.034 -5.332 3.955 1.00 0.00 N ATOM 322 CA LEU A 30 -5.991 -5.816 2.563 1.00 0.00 C ATOM 323 C LEU A 30 -7.192 -6.699 2.168 1.00 0.00 C ATOM 324 O LEU A 30 -7.787 -6.489 1.112 1.00 0.00 O ATOM 325 CB LEU A 30 -4.649 -6.548 2.359 1.00 0.00 C ATOM 326 CG LEU A 30 -4.449 -7.171 0.961 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.455 -6.112 -0.147 1.00 0.00 C ATOM 328 CD2 LEU A 30 -3.120 -7.929 0.927 1.00 0.00 C ATOM 0 H LEU A 30 -5.166 -5.505 4.463 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.065 -4.956 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.837 -5.845 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.566 -7.337 3.107 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.282 -7.850 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.311 -6.596 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.410 -5.586 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.648 -5.400 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.978 -8.370 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.302 -7.240 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.132 -8.718 1.678 1.00 0.00 H new ATOM 339 N GLU A 31 -7.584 -7.644 3.025 1.00 0.00 N ATOM 340 CA GLU A 31 -8.689 -8.579 2.793 1.00 0.00 C ATOM 341 C GLU A 31 -10.072 -7.906 2.836 1.00 0.00 C ATOM 342 O GLU A 31 -11.057 -8.496 2.380 1.00 0.00 O ATOM 343 CB GLU A 31 -8.603 -9.750 3.802 1.00 0.00 C ATOM 344 CG GLU A 31 -8.616 -9.317 5.283 1.00 0.00 C ATOM 345 CD GLU A 31 -8.104 -10.411 6.227 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.867 -10.594 6.353 1.00 0.00 O ATOM 347 OE2 GLU A 31 -8.939 -11.093 6.867 1.00 0.00 O ATOM 0 H GLU A 31 -7.128 -7.785 3.927 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.581 -8.965 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.439 -10.427 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.690 -10.314 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.001 -8.425 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.632 -9.044 5.568 1.00 0.00 H new ATOM 352 N ARG A 32 -10.165 -6.678 3.365 1.00 0.00 N ATOM 353 CA ARG A 32 -11.417 -5.920 3.450 1.00 0.00 C ATOM 354 C ARG A 32 -11.713 -5.129 2.164 1.00 0.00 C ATOM 355 O ARG A 32 -12.867 -5.052 1.736 1.00 0.00 O ATOM 356 CB ARG A 32 -11.397 -4.977 4.670 1.00 0.00 C ATOM 357 CG ARG A 32 -11.117 -5.660 6.022 1.00 0.00 C ATOM 358 CD ARG A 32 -12.161 -6.731 6.359 1.00 0.00 C ATOM 359 NE ARG A 32 -11.886 -7.370 7.655 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.752 -7.595 8.636 1.00 0.00 C ATOM 361 NH1 ARG A 32 -13.971 -7.106 8.652 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.402 -8.326 9.664 1.00 0.00 N ATOM 0 H ARG A 32 -9.363 -6.179 3.750 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.221 -6.646 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.640 -4.211 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.358 -4.467 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.127 -6.115 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.103 -4.908 6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.153 -6.279 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.172 -7.488 5.575 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.926 -7.673 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.295 -6.520 7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.593 -7.313 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.464 -8.723 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.068 -8.499 10.417 1.00 0.00 H new ATOM 373 N LEU A 33 -10.670 -4.590 1.522 1.00 0.00 N ATOM 374 CA LEU A 33 -10.746 -3.786 0.289 1.00 0.00 C ATOM 375 C LEU A 33 -11.513 -4.453 -0.857 1.00 0.00 C ATOM 376 O LEU A 33 -11.539 -5.681 -0.987 1.00 0.00 O ATOM 377 CB LEU A 33 -9.329 -3.506 -0.242 1.00 0.00 C ATOM 378 CG LEU A 33 -8.321 -2.900 0.742 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.943 -2.904 0.078 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.701 -1.479 1.179 1.00 0.00 C ATOM 0 H LEU A 33 -9.713 -4.704 1.856 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.280 -2.881 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.916 -4.443 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.414 -2.834 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.316 -3.505 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.209 -2.477 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.659 -3.928 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.978 -2.310 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.953 -1.100 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.746 -0.829 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.675 -1.497 1.668 1.00 0.00 H new ATOM 391 N LYS A 34 -12.024 -3.601 -1.748 1.00 0.00 N ATOM 392 CA LYS A 34 -12.480 -3.941 -3.098 1.00 0.00 C ATOM 393 C LYS A 34 -11.443 -3.569 -4.180 1.00 0.00 C ATOM 394 O LYS A 34 -10.504 -2.811 -3.918 1.00 0.00 O ATOM 395 CB LYS A 34 -13.844 -3.271 -3.334 1.00 0.00 C ATOM 396 CG LYS A 34 -13.818 -1.731 -3.314 1.00 0.00 C ATOM 397 CD LYS A 34 -15.138 -1.160 -3.844 1.00 0.00 C ATOM 398 CE LYS A 34 -15.149 0.367 -3.714 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.310 0.963 -4.413 1.00 0.00 N ATOM 0 H LYS A 34 -12.137 -2.609 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.594 -5.022 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.234 -3.602 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.541 -3.619 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.646 -1.378 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.989 -1.368 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.271 -1.444 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.974 -1.585 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.177 0.643 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.226 0.775 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.287 1.997 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.270 0.719 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.190 0.592 -4.002 1.00 0.00 H new ATOM 409 N GLY A 35 -11.616 -4.090 -5.401 1.00 0.00 N ATOM 410 CA GLY A 35 -10.815 -3.769 -6.593 1.00 0.00 C ATOM 411 C GLY A 35 -9.352 -4.231 -6.580 1.00 0.00 C ATOM 412 O GLY A 35 -8.589 -3.799 -7.439 1.00 0.00 O ATOM 0 H GLY A 35 -12.347 -4.774 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.304 -4.210 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.830 -2.688 -6.733 1.00 0.00 H new ATOM 416 N VAL A 36 -8.949 -5.072 -5.625 1.00 0.00 N ATOM 417 CA VAL A 36 -7.548 -5.475 -5.377 1.00 0.00 C ATOM 418 C VAL A 36 -7.287 -6.901 -5.890 1.00 0.00 C ATOM 419 O VAL A 36 -8.214 -7.708 -5.966 1.00 0.00 O ATOM 420 CB VAL A 36 -7.198 -5.297 -3.875 1.00 0.00 C ATOM 421 CG1 VAL A 36 -7.999 -6.219 -2.941 1.00 0.00 C ATOM 422 CG2 VAL A 36 -5.699 -5.450 -3.572 1.00 0.00 C ATOM 0 H VAL A 36 -9.604 -5.510 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.881 -4.822 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.488 -4.267 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.701 -6.038 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.064 -6.014 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.801 -7.259 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.528 -5.313 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.368 -6.445 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.137 -4.700 -4.129 1.00 0.00 H new ATOM 432 N ALA A 37 -6.038 -7.209 -6.263 1.00 0.00 N ATOM 433 CA ALA A 37 -5.627 -8.523 -6.781 1.00 0.00 C ATOM 434 C ALA A 37 -4.488 -9.176 -5.975 1.00 0.00 C ATOM 435 O ALA A 37 -4.605 -10.338 -5.570 1.00 0.00 O ATOM 436 CB ALA A 37 -5.228 -8.336 -8.251 1.00 0.00 C ATOM 0 H ALA A 37 -5.270 -6.540 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.466 -9.212 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.917 -9.294 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.080 -7.955 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.403 -7.626 -8.317 1.00 0.00 H new ATOM 442 N GLU A 38 -3.404 -8.439 -5.715 1.00 0.00 N ATOM 443 CA GLU A 38 -2.209 -8.900 -5.002 1.00 0.00 C ATOM 444 C GLU A 38 -1.558 -7.714 -4.292 1.00 0.00 C ATOM 445 O GLU A 38 -1.676 -6.591 -4.770 1.00 0.00 O ATOM 446 CB GLU A 38 -1.184 -9.560 -5.951 1.00 0.00 C ATOM 447 CG GLU A 38 -1.602 -10.968 -6.393 1.00 0.00 C ATOM 448 CD GLU A 38 -0.493 -11.717 -7.128 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.534 -12.064 -6.490 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.658 -12.000 -8.337 1.00 0.00 O ATOM 0 H GLU A 38 -3.332 -7.465 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.521 -9.654 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.054 -8.931 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.216 -9.613 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.903 -11.543 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.475 -10.895 -7.042 1.00 0.00 H new ATOM 455 N ALA A 39 -0.863 -7.948 -3.174 1.00 0.00 N ATOM 456 CA ALA A 39 -0.127 -6.917 -2.431 1.00 0.00 C ATOM 457 C ALA A 39 0.765 -7.511 -1.329 1.00 0.00 C ATOM 458 O ALA A 39 0.379 -8.483 -0.677 1.00 0.00 O ATOM 459 CB ALA A 39 -1.112 -5.902 -1.825 1.00 0.00 C ATOM 0 H ALA A 39 -0.794 -8.874 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 39 0.531 -6.414 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.558 -5.141 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.684 -5.429 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.793 -6.416 -1.146 1.00 0.00 H new ATOM 465 N SER A 40 1.922 -6.897 -1.077 1.00 0.00 N ATOM 466 CA SER A 40 2.867 -7.300 -0.021 1.00 0.00 C ATOM 467 C SER A 40 3.688 -6.101 0.481 1.00 0.00 C ATOM 468 O SER A 40 4.396 -5.457 -0.301 1.00 0.00 O ATOM 469 CB SER A 40 3.868 -8.365 -0.512 1.00 0.00 C ATOM 470 OG SER A 40 3.251 -9.447 -1.185 1.00 0.00 O ATOM 0 H SER A 40 2.240 -6.088 -1.610 1.00 0.00 H new ATOM 0 HA SER A 40 2.254 -7.711 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.589 -7.895 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.427 -8.749 0.341 1.00 0.00 H new ATOM 0 HG SER A 40 3.936 -10.086 -1.473 1.00 0.00 H new ATOM 475 N VAL A 41 3.652 -5.825 1.785 1.00 0.00 N ATOM 476 CA VAL A 41 4.578 -4.890 2.451 1.00 0.00 C ATOM 477 C VAL A 41 5.937 -5.585 2.642 1.00 0.00 C ATOM 478 O VAL A 41 5.996 -6.810 2.755 1.00 0.00 O ATOM 479 CB VAL A 41 4.018 -4.397 3.812 1.00 0.00 C ATOM 480 CG1 VAL A 41 4.909 -3.314 4.456 1.00 0.00 C ATOM 481 CG2 VAL A 41 2.604 -3.798 3.694 1.00 0.00 C ATOM 0 H VAL A 41 2.974 -6.245 2.421 1.00 0.00 H new ATOM 0 HA VAL A 41 4.699 -4.009 1.821 1.00 0.00 H new ATOM 0 HB VAL A 41 3.995 -5.292 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.474 -3.002 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.906 -3.719 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.977 -2.455 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.264 -3.470 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.625 -2.946 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.920 -4.553 3.307 1.00 0.00 H new ATOM 491 N THR A 42 7.025 -4.807 2.674 1.00 0.00 N ATOM 492 CA THR A 42 8.382 -5.271 2.989 1.00 0.00 C ATOM 493 C THR A 42 8.945 -4.406 4.116 1.00 0.00 C ATOM 494 O THR A 42 9.608 -3.398 3.862 1.00 0.00 O ATOM 495 CB THR A 42 9.269 -5.236 1.734 1.00 0.00 C ATOM 496 OG1 THR A 42 8.662 -5.993 0.706 1.00 0.00 O ATOM 497 CG2 THR A 42 10.649 -5.847 1.993 1.00 0.00 C ATOM 0 H THR A 42 6.985 -3.807 2.476 1.00 0.00 H new ATOM 0 HA THR A 42 8.358 -6.308 3.325 1.00 0.00 H new ATOM 0 HB THR A 42 9.384 -4.190 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.227 -5.969 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.244 -5.802 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.152 -5.288 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.535 -6.886 2.301 1.00 0.00 H new ATOM 505 N VAL A 43 8.692 -4.801 5.365 1.00 0.00 N ATOM 506 CA VAL A 43 9.270 -4.164 6.569 1.00 0.00 C ATOM 507 C VAL A 43 10.810 -4.171 6.552 1.00 0.00 C ATOM 508 O VAL A 43 11.420 -3.255 7.095 1.00 0.00 O ATOM 509 CB VAL A 43 8.728 -4.837 7.858 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.602 -4.667 9.112 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.343 -4.253 8.186 1.00 0.00 C ATOM 0 H VAL A 43 8.073 -5.582 5.581 1.00 0.00 H new ATOM 0 HA VAL A 43 8.957 -3.120 6.562 1.00 0.00 H new ATOM 0 HB VAL A 43 8.708 -5.903 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.132 -5.175 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.586 -5.099 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.708 -3.607 9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.956 -4.721 9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.429 -3.178 8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.661 -4.446 7.357 1.00 0.00 H new ATOM 521 N ALA A 44 11.463 -5.148 5.913 1.00 0.00 N ATOM 522 CA ALA A 44 12.927 -5.276 5.896 1.00 0.00 C ATOM 523 C ALA A 44 13.662 -4.066 5.284 1.00 0.00 C ATOM 524 O ALA A 44 14.797 -3.773 5.681 1.00 0.00 O ATOM 525 CB ALA A 44 13.270 -6.569 5.150 1.00 0.00 C ATOM 0 H ALA A 44 10.986 -5.880 5.387 1.00 0.00 H new ATOM 0 HA ALA A 44 13.277 -5.308 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.352 -6.695 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.821 -7.417 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.882 -6.516 4.133 1.00 0.00 H new ATOM 531 N THR A 45 13.019 -3.360 4.343 1.00 0.00 N ATOM 532 CA THR A 45 13.561 -2.189 3.628 1.00 0.00 C ATOM 533 C THR A 45 12.619 -0.983 3.620 1.00 0.00 C ATOM 534 O THR A 45 13.024 0.078 3.152 1.00 0.00 O ATOM 535 CB THR A 45 13.978 -2.575 2.198 1.00 0.00 C ATOM 536 OG1 THR A 45 12.945 -3.299 1.566 1.00 0.00 O ATOM 537 CG2 THR A 45 15.236 -3.444 2.211 1.00 0.00 C ATOM 0 H THR A 45 12.072 -3.595 4.046 1.00 0.00 H new ATOM 0 HA THR A 45 14.442 -1.871 4.185 1.00 0.00 H new ATOM 0 HB THR A 45 14.178 -1.652 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.222 -3.537 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.510 -3.703 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.053 -2.894 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.043 -4.355 2.777 1.00 0.00 H new ATOM 545 N GLY A 46 11.397 -1.099 4.154 1.00 0.00 N ATOM 546 CA GLY A 46 10.438 0.014 4.253 1.00 0.00 C ATOM 547 C GLY A 46 9.694 0.288 2.943 1.00 0.00 C ATOM 548 O GLY A 46 9.374 1.440 2.626 1.00 0.00 O ATOM 0 H GLY A 46 11.040 -1.976 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.713 -0.209 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.969 0.916 4.557 1.00 0.00 H new ATOM 552 N ARG A 47 9.434 -0.777 2.178 1.00 0.00 N ATOM 553 CA ARG A 47 8.882 -0.737 0.820 1.00 0.00 C ATOM 554 C ARG A 47 7.561 -1.520 0.723 1.00 0.00 C ATOM 555 O ARG A 47 7.132 -2.164 1.682 1.00 0.00 O ATOM 556 CB ARG A 47 9.934 -1.263 -0.177 1.00 0.00 C ATOM 557 CG ARG A 47 11.248 -0.462 -0.140 1.00 0.00 C ATOM 558 CD ARG A 47 12.230 -0.973 -1.197 1.00 0.00 C ATOM 559 NE ARG A 47 13.507 -0.235 -1.163 1.00 0.00 N ATOM 560 CZ ARG A 47 14.327 -0.033 -2.186 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.024 -0.416 -3.403 1.00 0.00 N ATOM 562 NH2 ARG A 47 15.477 0.580 -2.009 1.00 0.00 N ATOM 0 H ARG A 47 9.609 -1.729 2.501 1.00 0.00 H new ATOM 0 HA ARG A 47 8.646 0.296 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.146 -2.309 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.521 -1.228 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.040 0.594 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.699 -0.541 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.419 -2.034 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.781 -0.877 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 47 13.787 0.159 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.136 -0.884 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.676 -0.246 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.744 0.904 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.102 0.731 -2.801 1.00 0.00 H new ATOM 573 N LEU A 48 6.897 -1.461 -0.432 1.00 0.00 N ATOM 574 CA LEU A 48 5.551 -1.998 -0.660 1.00 0.00 C ATOM 575 C LEU A 48 5.363 -2.391 -2.130 1.00 0.00 C ATOM 576 O LEU A 48 5.949 -1.754 -3.002 1.00 0.00 O ATOM 577 CB LEU A 48 4.524 -0.917 -0.250 1.00 0.00 C ATOM 578 CG LEU A 48 3.470 -1.396 0.760 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.676 -0.181 1.240 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.492 -2.416 0.157 1.00 0.00 C ATOM 0 H LEU A 48 7.293 -1.024 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 48 5.406 -2.897 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.058 -0.068 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.016 -0.558 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 48 3.993 -1.889 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.921 -0.500 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.351 0.531 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.188 0.294 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.770 -2.720 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.967 -1.963 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.045 -3.290 -0.188 1.00 0.00 H new ATOM 591 N THR A 49 4.504 -3.385 -2.386 1.00 0.00 N ATOM 592 CA THR A 49 4.032 -3.855 -3.703 1.00 0.00 C ATOM 593 C THR A 49 2.513 -3.973 -3.626 1.00 0.00 C ATOM 594 O THR A 49 2.008 -4.464 -2.616 1.00 0.00 O ATOM 595 CB THR A 49 4.641 -5.225 -4.048 1.00 0.00 C ATOM 596 OG1 THR A 49 6.049 -5.145 -4.023 1.00 0.00 O ATOM 597 CG2 THR A 49 4.252 -5.693 -5.453 1.00 0.00 C ATOM 0 H THR A 49 4.088 -3.924 -1.626 1.00 0.00 H new ATOM 0 HA THR A 49 4.335 -3.153 -4.480 1.00 0.00 H new ATOM 0 HB THR A 49 4.259 -5.928 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.430 -6.021 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.705 -6.664 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.167 -5.778 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.606 -4.970 -6.188 1.00 0.00 H new ATOM 605 N VAL A 50 1.793 -3.548 -4.664 1.00 0.00 N ATOM 606 CA VAL A 50 0.315 -3.581 -4.720 1.00 0.00 C ATOM 607 C VAL A 50 -0.197 -3.651 -6.170 1.00 0.00 C ATOM 608 O VAL A 50 0.364 -2.996 -7.047 1.00 0.00 O ATOM 609 CB VAL A 50 -0.296 -2.385 -3.937 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.052 -1.015 -4.549 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.819 -2.491 -3.755 1.00 0.00 C ATOM 0 H VAL A 50 2.218 -3.163 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.020 -4.495 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 50 0.171 -2.449 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.405 -0.224 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.134 -0.884 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.326 -0.966 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.180 -1.625 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.301 -2.523 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.057 -3.400 -3.203 1.00 0.00 H new ATOM 621 N THR A 51 -1.255 -4.441 -6.411 1.00 0.00 N ATOM 622 CA THR A 51 -1.900 -4.693 -7.711 1.00 0.00 C ATOM 623 C THR A 51 -3.414 -4.546 -7.576 1.00 0.00 C ATOM 624 O THR A 51 -4.022 -5.178 -6.712 1.00 0.00 O ATOM 625 CB THR A 51 -1.554 -6.103 -8.220 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.152 -6.246 -8.279 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.064 -6.336 -9.649 1.00 0.00 C ATOM 0 H THR A 51 -1.712 -4.953 -5.657 1.00 0.00 H new ATOM 0 HA THR A 51 -1.530 -3.963 -8.431 1.00 0.00 H new ATOM 0 HB THR A 51 -2.020 -6.811 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.072 -7.144 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.799 -7.343 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.148 -6.221 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.608 -5.609 -10.321 1.00 0.00 H new ATOM 635 N TYR A 52 -4.025 -3.745 -8.452 1.00 0.00 N ATOM 636 CA TYR A 52 -5.447 -3.353 -8.407 1.00 0.00 C ATOM 637 C TYR A 52 -6.019 -2.989 -9.797 1.00 0.00 C ATOM 638 O TYR A 52 -5.261 -2.676 -10.721 1.00 0.00 O ATOM 639 CB TYR A 52 -5.621 -2.199 -7.399 1.00 0.00 C ATOM 640 CG TYR A 52 -4.810 -0.939 -7.676 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.196 -0.052 -8.703 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.672 -0.642 -6.898 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.435 1.102 -8.969 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.917 0.519 -7.147 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.296 1.395 -8.186 1.00 0.00 C ATOM 646 OH TYR A 52 -2.565 2.519 -8.415 1.00 0.00 O ATOM 0 H TYR A 52 -3.530 -3.333 -9.243 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.025 -4.216 -8.076 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.676 -1.928 -7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.356 -2.567 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.080 -0.259 -9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.377 -1.312 -6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.722 1.764 -9.772 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.049 0.739 -6.544 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.819 2.559 -7.781 1.00 0.00 H new ATOM 655 N ASP A 53 -7.352 -3.009 -9.967 1.00 0.00 N ATOM 656 CA ASP A 53 -8.008 -2.717 -11.245 1.00 0.00 C ATOM 657 C ASP A 53 -8.365 -1.215 -11.367 1.00 0.00 C ATOM 658 O ASP A 53 -9.072 -0.677 -10.504 1.00 0.00 O ATOM 659 CB ASP A 53 -9.187 -3.680 -11.519 1.00 0.00 C ATOM 660 CG ASP A 53 -10.567 -3.275 -10.983 1.00 0.00 C ATOM 661 OD1 ASP A 53 -11.236 -2.452 -11.653 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.038 -3.869 -9.985 1.00 0.00 O ATOM 0 H ASP A 53 -8.005 -3.230 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.297 -2.910 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.270 -3.813 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.933 -4.652 -11.097 1.00 0.00 H new ATOM 666 N PRO A 54 -7.902 -0.520 -12.431 1.00 0.00 N ATOM 667 CA PRO A 54 -8.063 0.926 -12.596 1.00 0.00 C ATOM 668 C PRO A 54 -9.497 1.331 -12.988 1.00 0.00 C ATOM 669 O PRO A 54 -9.736 2.487 -13.337 1.00 0.00 O ATOM 670 CB PRO A 54 -7.037 1.312 -13.671 1.00 0.00 C ATOM 671 CG PRO A 54 -6.994 0.074 -14.562 1.00 0.00 C ATOM 672 CD PRO A 54 -7.131 -1.058 -13.547 1.00 0.00 C ATOM 0 HA PRO A 54 -7.893 1.454 -11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.347 2.198 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.061 1.532 -13.238 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.805 0.068 -15.290 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.061 0.008 -15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.636 -1.917 -13.989 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.152 -1.401 -13.213 1.00 0.00 H new ATOM 677 N LYS A 55 -10.455 0.397 -12.959 1.00 0.00 N ATOM 678 CA LYS A 55 -11.828 0.612 -13.438 1.00 0.00 C ATOM 679 C LYS A 55 -12.809 0.739 -12.265 1.00 0.00 C ATOM 680 O LYS A 55 -13.695 1.599 -12.300 1.00 0.00 O ATOM 681 CB LYS A 55 -12.181 -0.523 -14.416 1.00 0.00 C ATOM 682 CG LYS A 55 -13.622 -0.426 -14.946 1.00 0.00 C ATOM 683 CD LYS A 55 -13.899 -1.451 -16.052 1.00 0.00 C ATOM 684 CE LYS A 55 -13.338 -1.005 -17.405 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.573 -2.041 -18.433 1.00 0.00 N ATOM 0 H LYS A 55 -10.297 -0.543 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.905 1.557 -13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.487 -0.501 -15.256 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.046 -1.482 -13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.321 -0.582 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.800 0.578 -15.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.459 -2.409 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.974 -1.607 -16.140 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.808 -0.070 -17.709 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.269 -0.810 -17.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.186 -1.721 -19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.104 -2.925 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.595 -2.208 -18.531 1.00 0.00 H new ATOM 695 N GLN A 56 -12.614 -0.059 -11.214 1.00 0.00 N ATOM 696 CA GLN A 56 -13.339 0.044 -9.947 1.00 0.00 C ATOM 697 C GLN A 56 -12.582 0.893 -8.918 1.00 0.00 C ATOM 698 O GLN A 56 -13.233 1.558 -8.110 1.00 0.00 O ATOM 699 CB GLN A 56 -13.610 -1.365 -9.389 1.00 0.00 C ATOM 700 CG GLN A 56 -14.470 -2.199 -10.354 1.00 0.00 C ATOM 701 CD GLN A 56 -14.814 -3.589 -9.828 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.975 -3.933 -9.651 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.856 -4.452 -9.560 1.00 0.00 N ATOM 0 H GLN A 56 -11.929 -0.815 -11.221 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.286 0.547 -10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.663 -1.875 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.115 -1.285 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.395 -1.660 -10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.942 -2.300 -11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.880 -4.190 -9.699 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.090 -5.382 -9.213 1.00 0.00 H new ATOM 710 N VAL A 57 -11.242 0.922 -8.937 1.00 0.00 N ATOM 711 CA VAL A 57 -10.435 1.600 -7.898 1.00 0.00 C ATOM 712 C VAL A 57 -9.177 2.262 -8.488 1.00 0.00 C ATOM 713 O VAL A 57 -9.056 2.386 -9.706 1.00 0.00 O ATOM 714 CB VAL A 57 -10.090 0.639 -6.729 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.342 0.077 -6.034 1.00 0.00 C ATOM 716 CG2 VAL A 57 -9.184 -0.520 -7.176 1.00 0.00 C ATOM 0 H VAL A 57 -10.684 0.480 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.048 2.402 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.545 1.248 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.041 -0.589 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.932 0.898 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.941 -0.478 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.971 -1.165 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.688 -1.098 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.250 -0.120 -7.571 1.00 0.00 H new ATOM 726 N SER A 58 -8.236 2.702 -7.644 1.00 0.00 N ATOM 727 CA SER A 58 -6.999 3.374 -8.048 1.00 0.00 C ATOM 728 C SER A 58 -6.014 3.355 -6.862 1.00 0.00 C ATOM 729 O SER A 58 -6.157 2.518 -5.963 1.00 0.00 O ATOM 730 CB SER A 58 -7.306 4.801 -8.550 1.00 0.00 C ATOM 731 OG SER A 58 -7.706 5.659 -7.491 1.00 0.00 O ATOM 0 H SER A 58 -8.318 2.596 -6.633 1.00 0.00 H new ATOM 0 HA SER A 58 -6.531 2.849 -8.881 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.422 5.213 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.094 4.760 -9.302 1.00 0.00 H new ATOM 0 HG SER A 58 -7.890 6.553 -7.846 1.00 0.00 H new ATOM 736 N GLU A 59 -5.084 4.315 -6.789 1.00 0.00 N ATOM 737 CA GLU A 59 -4.206 4.537 -5.632 1.00 0.00 C ATOM 738 C GLU A 59 -4.954 4.676 -4.291 1.00 0.00 C ATOM 739 O GLU A 59 -4.368 4.436 -3.241 1.00 0.00 O ATOM 740 CB GLU A 59 -3.333 5.775 -5.888 1.00 0.00 C ATOM 741 CG GLU A 59 -4.139 7.085 -5.901 1.00 0.00 C ATOM 742 CD GLU A 59 -3.312 8.231 -6.461 1.00 0.00 C ATOM 743 OE1 GLU A 59 -3.013 8.203 -7.675 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.982 9.177 -5.709 1.00 0.00 O ATOM 0 H GLU A 59 -4.917 4.974 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.589 3.644 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.563 5.836 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.820 5.660 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.040 6.955 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.462 7.327 -4.889 1.00 0.00 H new ATOM 749 N ILE A 60 -6.256 4.989 -4.291 1.00 0.00 N ATOM 750 CA ILE A 60 -7.112 5.006 -3.086 1.00 0.00 C ATOM 751 C ILE A 60 -7.047 3.676 -2.297 1.00 0.00 C ATOM 752 O ILE A 60 -7.097 3.695 -1.063 1.00 0.00 O ATOM 753 CB ILE A 60 -8.548 5.432 -3.481 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.590 6.802 -4.211 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.467 5.501 -2.255 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.956 7.991 -3.472 1.00 0.00 C ATOM 0 H ILE A 60 -6.758 5.243 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.730 5.750 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.902 4.664 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.089 6.692 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.632 7.046 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.467 5.803 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.515 4.521 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.073 6.229 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.048 8.889 -4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.468 8.144 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.902 7.784 -3.287 1.00 0.00 H new ATOM 767 N THR A 61 -6.811 2.553 -2.995 1.00 0.00 N ATOM 768 CA THR A 61 -6.567 1.187 -2.467 1.00 0.00 C ATOM 769 C THR A 61 -5.353 1.097 -1.538 1.00 0.00 C ATOM 770 O THR A 61 -5.248 0.182 -0.713 1.00 0.00 O ATOM 771 CB THR A 61 -6.342 0.233 -3.657 1.00 0.00 C ATOM 772 OG1 THR A 61 -7.349 0.440 -4.613 1.00 0.00 O ATOM 773 CG2 THR A 61 -6.355 -1.257 -3.311 1.00 0.00 C ATOM 0 H THR A 61 -6.782 2.569 -4.014 1.00 0.00 H new ATOM 0 HA THR A 61 -7.442 0.913 -1.878 1.00 0.00 H new ATOM 0 HB THR A 61 -5.342 0.471 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.050 1.109 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.188 -1.842 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.566 -1.470 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.321 -1.522 -2.880 1.00 0.00 H new ATOM 781 N ILE A 62 -4.407 2.025 -1.683 1.00 0.00 N ATOM 782 CA ILE A 62 -3.182 2.077 -0.857 1.00 0.00 C ATOM 783 C ILE A 62 -3.033 3.382 -0.050 1.00 0.00 C ATOM 784 O ILE A 62 -2.665 3.313 1.121 1.00 0.00 O ATOM 785 CB ILE A 62 -1.961 1.686 -1.735 1.00 0.00 C ATOM 786 CG1 ILE A 62 -0.758 1.205 -0.901 1.00 0.00 C ATOM 787 CG2 ILE A 62 -1.500 2.792 -2.697 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.965 -0.180 -0.278 1.00 0.00 C ATOM 0 H ILE A 62 -4.461 2.770 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.253 1.335 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.332 0.858 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.128 1.181 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.563 1.927 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.644 2.440 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.314 3.047 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.214 3.675 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.080 -0.457 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.832 -0.156 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.130 -0.913 -1.068 1.00 0.00 H new ATOM 799 N GLN A 63 -3.414 4.533 -0.614 1.00 0.00 N ATOM 800 CA GLN A 63 -3.460 5.862 0.015 1.00 0.00 C ATOM 801 C GLN A 63 -4.178 5.830 1.370 1.00 0.00 C ATOM 802 O GLN A 63 -3.542 6.027 2.406 1.00 0.00 O ATOM 803 CB GLN A 63 -4.153 6.818 -0.986 1.00 0.00 C ATOM 804 CG GLN A 63 -4.564 8.217 -0.490 1.00 0.00 C ATOM 805 CD GLN A 63 -3.443 9.069 0.101 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.520 9.520 1.238 1.00 0.00 O ATOM 807 NE2 GLN A 63 -2.380 9.334 -0.627 1.00 0.00 N ATOM 0 H GLN A 63 -3.719 4.566 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.451 6.212 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.486 6.949 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.049 6.320 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.007 8.761 -1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.342 8.100 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.306 8.964 -1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.630 9.910 -0.244 1.00 0.00 H new ATOM 814 N GLU A 64 -5.486 5.552 1.376 1.00 0.00 N ATOM 815 CA GLU A 64 -6.324 5.625 2.579 1.00 0.00 C ATOM 816 C GLU A 64 -5.902 4.601 3.639 1.00 0.00 C ATOM 817 O GLU A 64 -6.062 4.831 4.839 1.00 0.00 O ATOM 818 CB GLU A 64 -7.791 5.360 2.200 1.00 0.00 C ATOM 819 CG GLU A 64 -8.375 6.362 1.200 1.00 0.00 C ATOM 820 CD GLU A 64 -8.446 7.769 1.786 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.339 8.041 2.626 1.00 0.00 O ATOM 822 OE2 GLU A 64 -7.586 8.613 1.462 1.00 0.00 O ATOM 0 H GLU A 64 -5.997 5.268 0.540 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.203 6.623 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.870 4.357 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.396 5.374 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.763 6.374 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.373 6.040 0.904 1.00 0.00 H new ATOM 827 N ARG A 65 -5.369 3.463 3.189 1.00 0.00 N ATOM 828 CA ARG A 65 -4.953 2.347 4.034 1.00 0.00 C ATOM 829 C ARG A 65 -3.624 2.616 4.742 1.00 0.00 C ATOM 830 O ARG A 65 -3.432 2.152 5.860 1.00 0.00 O ATOM 831 CB ARG A 65 -4.914 1.100 3.144 1.00 0.00 C ATOM 832 CG ARG A 65 -4.549 -0.178 3.907 1.00 0.00 C ATOM 833 CD ARG A 65 -4.946 -1.426 3.113 1.00 0.00 C ATOM 834 NE ARG A 65 -4.366 -1.458 1.757 1.00 0.00 N ATOM 835 CZ ARG A 65 -3.536 -2.376 1.278 1.00 0.00 C ATOM 836 NH1 ARG A 65 -2.934 -3.265 2.041 1.00 0.00 N ATOM 837 NH2 ARG A 65 -3.323 -2.416 -0.017 1.00 0.00 N ATOM 0 H ARG A 65 -5.211 3.290 2.196 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.664 2.200 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.888 0.968 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.191 1.256 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.477 -0.194 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.051 -0.184 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.627 -2.314 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.032 -1.471 3.038 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.629 -0.701 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.098 -3.267 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.304 -3.951 1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.791 -1.750 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.689 -3.113 -0.408 1.00 0.00 H new ATOM 848 N ILE A 66 -2.715 3.379 4.134 1.00 0.00 N ATOM 849 CA ILE A 66 -1.486 3.842 4.801 1.00 0.00 C ATOM 850 C ILE A 66 -1.785 5.059 5.684 1.00 0.00 C ATOM 851 O ILE A 66 -1.402 5.071 6.854 1.00 0.00 O ATOM 852 CB ILE A 66 -0.399 4.115 3.739 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.031 2.790 3.066 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.835 4.800 4.351 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.933 2.998 1.847 1.00 0.00 C ATOM 0 H ILE A 66 -2.804 3.696 3.168 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.103 3.069 5.466 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.829 4.787 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.554 2.172 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.859 2.239 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.577 4.975 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.541 5.752 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.262 4.159 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.199 2.030 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.404 3.590 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.839 3.522 2.150 1.00 0.00 H new ATOM 866 N ALA A 67 -2.480 6.065 5.145 1.00 0.00 N ATOM 867 CA ALA A 67 -2.686 7.343 5.823 1.00 0.00 C ATOM 868 C ALA A 67 -3.512 7.185 7.119 1.00 0.00 C ATOM 869 O ALA A 67 -3.059 7.584 8.196 1.00 0.00 O ATOM 870 CB ALA A 67 -3.352 8.305 4.829 1.00 0.00 C ATOM 0 H ALA A 67 -2.916 6.013 4.224 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.725 7.750 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.517 9.269 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.704 8.439 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.308 7.891 4.507 1.00 0.00 H new ATOM 876 N ALA A 68 -4.704 6.573 7.039 1.00 0.00 N ATOM 877 CA ALA A 68 -5.661 6.513 8.154 1.00 0.00 C ATOM 878 C ALA A 68 -5.238 5.568 9.293 1.00 0.00 C ATOM 879 O ALA A 68 -5.692 5.741 10.429 1.00 0.00 O ATOM 880 CB ALA A 68 -7.037 6.125 7.598 1.00 0.00 C ATOM 0 H ALA A 68 -5.032 6.104 6.195 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.695 7.502 8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.758 6.076 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.360 6.871 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.972 5.151 7.113 1.00 0.00 H new ATOM 886 N LEU A 69 -4.372 4.585 9.017 1.00 0.00 N ATOM 887 CA LEU A 69 -3.785 3.695 10.034 1.00 0.00 C ATOM 888 C LEU A 69 -2.546 4.323 10.719 1.00 0.00 C ATOM 889 O LEU A 69 -2.109 3.827 11.763 1.00 0.00 O ATOM 890 CB LEU A 69 -3.571 2.295 9.413 1.00 0.00 C ATOM 891 CG LEU A 69 -4.861 1.687 8.793 1.00 0.00 C ATOM 892 CD1 LEU A 69 -4.640 0.256 8.282 1.00 0.00 C ATOM 893 CD2 LEU A 69 -6.054 1.661 9.767 1.00 0.00 C ATOM 0 H LEU A 69 -4.053 4.380 8.070 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.477 3.562 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.804 2.362 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.193 1.620 10.181 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.098 2.351 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.568 -0.126 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.865 0.259 7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.329 -0.382 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.920 1.225 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.797 1.062 10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.290 2.678 10.081 1.00 0.00 H new ATOM 904 N GLY A 70 -2.068 5.473 10.210 1.00 0.00 N ATOM 905 CA GLY A 70 -1.204 6.432 10.921 1.00 0.00 C ATOM 906 C GLY A 70 0.124 6.776 10.247 1.00 0.00 C ATOM 907 O GLY A 70 0.969 7.418 10.875 1.00 0.00 O ATOM 0 H GLY A 70 -2.281 5.770 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.764 7.356 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.991 6.031 11.912 1.00 0.00 H new ATOM 911 N TYR A 71 0.333 6.358 9.002 1.00 0.00 N ATOM 912 CA TYR A 71 1.620 6.439 8.298 1.00 0.00 C ATOM 913 C TYR A 71 1.556 7.402 7.093 1.00 0.00 C ATOM 914 O TYR A 71 0.558 8.110 6.909 1.00 0.00 O ATOM 915 CB TYR A 71 2.011 5.004 7.908 1.00 0.00 C ATOM 916 CG TYR A 71 1.979 4.030 9.074 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.031 4.011 10.011 1.00 0.00 C ATOM 918 CD2 TYR A 71 0.861 3.190 9.255 1.00 0.00 C ATOM 919 CE1 TYR A 71 2.964 3.159 11.130 1.00 0.00 C ATOM 920 CE2 TYR A 71 0.794 2.330 10.366 1.00 0.00 C ATOM 921 CZ TYR A 71 1.845 2.312 11.310 1.00 0.00 C ATOM 922 OH TYR A 71 1.778 1.478 12.383 1.00 0.00 O ATOM 0 H TYR A 71 -0.405 5.941 8.435 1.00 0.00 H new ATOM 0 HA TYR A 71 2.390 6.863 8.943 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.334 4.650 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.013 5.013 7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.890 4.651 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.053 3.207 8.538 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.768 3.152 11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.061 1.683 10.497 1.00 0.00 H new ATOM 0 HH TYR A 71 2.661 1.087 12.549 1.00 0.00 H new ATOM 931 N THR A 72 2.611 7.449 6.266 1.00 0.00 N ATOM 932 CA THR A 72 2.665 8.249 5.023 1.00 0.00 C ATOM 933 C THR A 72 3.274 7.426 3.885 1.00 0.00 C ATOM 934 O THR A 72 3.792 6.342 4.133 1.00 0.00 O ATOM 935 CB THR A 72 3.468 9.546 5.227 1.00 0.00 C ATOM 936 OG1 THR A 72 4.793 9.244 5.605 1.00 0.00 O ATOM 937 CG2 THR A 72 2.871 10.458 6.300 1.00 0.00 C ATOM 0 H THR A 72 3.468 6.925 6.441 1.00 0.00 H new ATOM 0 HA THR A 72 1.644 8.522 4.758 1.00 0.00 H new ATOM 0 HB THR A 72 3.437 10.071 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.295 10.076 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.482 11.355 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.857 10.739 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.848 9.931 7.254 1.00 0.00 H new ATOM 945 N LEU A 73 3.235 7.920 2.642 1.00 0.00 N ATOM 946 CA LEU A 73 3.648 7.161 1.448 1.00 0.00 C ATOM 947 C LEU A 73 4.361 8.004 0.381 1.00 0.00 C ATOM 948 O LEU A 73 4.175 9.220 0.305 1.00 0.00 O ATOM 949 CB LEU A 73 2.435 6.427 0.832 1.00 0.00 C ATOM 950 CG LEU A 73 1.235 7.289 0.359 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.445 6.526 -0.718 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.263 7.647 1.498 1.00 0.00 C ATOM 0 H LEU A 73 2.914 8.865 2.431 1.00 0.00 H new ATOM 0 HA LEU A 73 4.385 6.438 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.790 5.850 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.066 5.713 1.568 1.00 0.00 H new ATOM 0 HG LEU A 73 1.655 8.216 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.398 7.133 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.096 6.315 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.076 5.588 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.554 8.250 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.139 6.733 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.793 8.212 2.265 1.00 0.00 H new ATOM 963 N ALA A 74 5.113 7.333 -0.498 1.00 0.00 N ATOM 964 CA ALA A 74 5.693 7.903 -1.718 1.00 0.00 C ATOM 965 C ALA A 74 5.342 7.039 -2.949 1.00 0.00 C ATOM 966 O ALA A 74 6.209 6.429 -3.572 1.00 0.00 O ATOM 967 CB ALA A 74 7.203 8.074 -1.501 1.00 0.00 C ATOM 0 H ALA A 74 5.342 6.347 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 74 5.269 8.886 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.654 8.497 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.376 8.743 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.653 7.103 -1.292 1.00 0.00 H new ATOM 973 N GLU A 75 4.055 6.967 -3.297 1.00 0.00 N ATOM 974 CA GLU A 75 3.613 6.480 -4.612 1.00 0.00 C ATOM 975 C GLU A 75 3.708 7.693 -5.557 1.00 0.00 C ATOM 976 O GLU A 75 3.187 8.752 -5.186 1.00 0.00 O ATOM 977 CB GLU A 75 2.192 5.891 -4.497 1.00 0.00 C ATOM 978 CG GLU A 75 1.755 4.992 -5.667 1.00 0.00 C ATOM 979 CD GLU A 75 1.440 5.746 -6.964 1.00 0.00 C ATOM 980 OE1 GLU A 75 0.759 6.793 -6.925 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.846 5.280 -8.055 1.00 0.00 O ATOM 0 H GLU A 75 3.291 7.243 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 75 4.228 5.669 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.129 5.314 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.482 6.713 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.544 4.267 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.872 4.428 -5.366 1.00 0.00 H new ATOM 986 N PRO A 76 4.439 7.620 -6.686 1.00 0.00 N ATOM 987 CA PRO A 76 5.045 8.807 -7.299 1.00 0.00 C ATOM 988 C PRO A 76 4.082 9.788 -7.979 1.00 0.00 C ATOM 989 O PRO A 76 4.322 11.006 -7.815 1.00 0.00 O ATOM 990 CB PRO A 76 6.138 8.294 -8.249 1.00 0.00 C ATOM 991 CG PRO A 76 5.739 6.848 -8.526 1.00 0.00 C ATOM 992 CD PRO A 76 5.073 6.422 -7.221 1.00 0.00 C ATOM 0 HA PRO A 76 5.453 9.430 -6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.176 8.880 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.125 8.355 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.056 6.772 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.604 6.228 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.338 5.636 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.806 6.022 -6.521 1.00 0.00 H new