USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 548 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 18 CYS SG : rot -107:sc= -0.578 USER MOD Set 1.2: A 67 CYS SG : rot 75:sc= 1.39 USER MOD Single : A 1 MET CE :methyl -112:sc= -0.443 (180deg=-2.2!) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.117 (180deg=-0.296) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0944 K(o=-0.094,f=-0.97) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 19 GLN : amide:sc= -0.386 K(o=-0.39,f=-1.3) USER MOD Single : A 24 SER OG : rot 61:sc= 0.336 USER MOD Single : A 28 CYS SG : rot 51:sc= 0.202 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.82! C(o=-2.8!,f=-6.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 70 TYR OH : rot 122:sc= 0.493 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.857 -0.363 -2.524 1.00 64.35 N ATOM 2 CA MET A 1 2.800 -0.421 -1.414 1.00 23.05 C ATOM 3 C MET A 1 3.465 0.934 -1.193 1.00 55.43 C ATOM 4 O MET A 1 4.687 1.028 -1.092 1.00 11.24 O ATOM 5 CB MET A 1 3.866 -1.487 -1.676 1.00 35.44 C ATOM 6 CG MET A 1 3.290 -2.836 -2.077 1.00 53.30 C ATOM 7 SD MET A 1 4.551 -4.117 -2.212 1.00 31.44 S ATOM 8 CE MET A 1 5.349 -3.647 -3.744 1.00 64.03 C ATOM 0 H1 MET A 1 1.296 -1.238 -2.549 1.00 64.35 H new ATOM 0 H2 MET A 1 1.222 0.451 -2.398 1.00 64.35 H new ATOM 0 H3 MET A 1 2.379 -0.260 -3.418 1.00 64.35 H new ATOM 0 HA MET A 1 2.245 -0.685 -0.514 1.00 23.05 H new ATOM 0 HB2 MET A 1 4.532 -1.137 -2.464 1.00 35.44 H new ATOM 0 HB3 MET A 1 4.472 -1.612 -0.778 1.00 35.44 H new ATOM 0 HG2 MET A 1 2.545 -3.141 -1.343 1.00 53.30 H new ATOM 0 HG3 MET A 1 2.774 -2.737 -3.032 1.00 53.30 H new ATOM 0 HE1 MET A 1 5.143 -4.398 -4.507 1.00 64.03 H new ATOM 0 HE2 MET A 1 4.965 -2.681 -4.073 1.00 64.03 H new ATOM 0 HE3 MET A 1 6.425 -3.575 -3.587 1.00 64.03 H new ATOM 18 N GLY A 2 2.650 1.983 -1.121 1.00 1.02 N ATOM 19 CA GLY A 2 3.178 3.319 -0.914 1.00 34.04 C ATOM 20 C GLY A 2 3.718 3.933 -2.190 1.00 13.53 C ATOM 21 O GLY A 2 2.991 4.078 -3.173 1.00 24.30 O ATOM 0 H GLY A 2 1.635 1.931 -1.202 1.00 1.02 H new ATOM 0 HA2 GLY A 2 2.393 3.958 -0.511 1.00 34.04 H new ATOM 0 HA3 GLY A 2 3.972 3.281 -0.168 1.00 34.04 H new ATOM 25 N SER A 3 4.996 4.298 -2.174 1.00 52.13 N ATOM 26 CA SER A 3 5.631 4.906 -3.337 1.00 64.15 C ATOM 27 C SER A 3 6.550 3.909 -4.038 1.00 33.13 C ATOM 28 O SER A 3 7.532 4.293 -4.673 1.00 12.25 O ATOM 29 CB SER A 3 6.427 6.144 -2.921 1.00 43.42 C ATOM 30 OG SER A 3 5.576 7.265 -2.754 1.00 44.12 O ATOM 0 H SER A 3 5.612 4.183 -1.369 1.00 52.13 H new ATOM 0 HA SER A 3 4.847 5.204 -4.034 1.00 64.15 H new ATOM 0 HB2 SER A 3 6.957 5.944 -1.990 1.00 43.42 H new ATOM 0 HB3 SER A 3 7.182 6.366 -3.676 1.00 43.42 H new ATOM 0 HG SER A 3 6.109 8.043 -2.486 1.00 44.12 H new ATOM 36 N TRP A 4 6.222 2.628 -3.917 1.00 25.52 N ATOM 37 CA TRP A 4 7.017 1.574 -4.538 1.00 4.02 C ATOM 38 C TRP A 4 6.805 1.550 -6.047 1.00 45.45 C ATOM 39 O TRP A 4 7.761 1.445 -6.816 1.00 11.02 O ATOM 40 CB TRP A 4 6.657 0.214 -3.938 1.00 75.13 C ATOM 41 CG TRP A 4 7.226 -0.942 -4.703 1.00 62.31 C ATOM 42 CD1 TRP A 4 6.747 -1.471 -5.868 1.00 12.53 C ATOM 43 CD2 TRP A 4 8.381 -1.714 -4.356 1.00 1.13 C ATOM 44 NE1 TRP A 4 7.534 -2.524 -6.265 1.00 62.12 N ATOM 45 CE2 TRP A 4 8.544 -2.693 -5.355 1.00 71.12 C ATOM 46 CE3 TRP A 4 9.295 -1.672 -3.299 1.00 54.21 C ATOM 47 CZ2 TRP A 4 9.582 -3.621 -5.326 1.00 51.41 C ATOM 48 CZ3 TRP A 4 10.324 -2.593 -3.272 1.00 21.25 C ATOM 49 CH2 TRP A 4 10.462 -3.556 -4.280 1.00 34.41 C ATOM 0 H TRP A 4 5.412 2.294 -3.395 1.00 25.52 H new ATOM 0 HA TRP A 4 8.069 1.783 -4.341 1.00 4.02 H new ATOM 0 HB2 TRP A 4 7.016 0.172 -2.910 1.00 75.13 H new ATOM 0 HB3 TRP A 4 5.572 0.117 -3.901 1.00 75.13 H new ATOM 0 HD1 TRP A 4 5.877 -1.113 -6.399 1.00 12.53 H new ATOM 0 HE1 TRP A 4 7.390 -3.089 -7.102 1.00 62.12 H new ATOM 0 HE3 TRP A 4 9.198 -0.933 -2.518 1.00 54.21 H new ATOM 0 HZ2 TRP A 4 9.689 -4.365 -6.101 1.00 51.41 H new ATOM 0 HZ3 TRP A 4 11.035 -2.570 -2.459 1.00 21.25 H new ATOM 0 HH2 TRP A 4 11.279 -4.261 -4.231 1.00 34.41 H new ATOM 60 N ALA A 5 5.548 1.649 -6.466 1.00 11.22 N ATOM 61 CA ALA A 5 5.212 1.641 -7.884 1.00 51.41 C ATOM 62 C ALA A 5 5.960 2.740 -8.632 1.00 15.45 C ATOM 63 O ALA A 5 6.553 2.496 -9.681 1.00 64.40 O ATOM 64 CB ALA A 5 3.710 1.800 -8.072 1.00 3.44 C ATOM 0 H ALA A 5 4.745 1.736 -5.843 1.00 11.22 H new ATOM 0 HA ALA A 5 5.519 0.681 -8.299 1.00 51.41 H new ATOM 0 HB1 ALA A 5 3.474 1.792 -9.136 1.00 3.44 H new ATOM 0 HB2 ALA A 5 3.192 0.977 -7.579 1.00 3.44 H new ATOM 0 HB3 ALA A 5 3.387 2.745 -7.635 1.00 3.44 H new ATOM 70 N GLU A 6 5.925 3.951 -8.084 1.00 10.21 N ATOM 71 CA GLU A 6 6.599 5.088 -8.701 1.00 73.42 C ATOM 72 C GLU A 6 8.104 4.848 -8.784 1.00 55.34 C ATOM 73 O GLU A 6 8.720 5.057 -9.829 1.00 51.55 O ATOM 74 CB GLU A 6 6.318 6.367 -7.910 1.00 74.22 C ATOM 75 CG GLU A 6 5.551 7.415 -8.700 1.00 24.31 C ATOM 76 CD GLU A 6 4.052 7.315 -8.499 1.00 53.24 C ATOM 77 OE1 GLU A 6 3.621 7.088 -7.349 1.00 43.31 O ATOM 78 OE2 GLU A 6 3.309 7.464 -9.492 1.00 33.21 O ATOM 0 H GLU A 6 5.438 4.170 -7.215 1.00 10.21 H new ATOM 0 HA GLU A 6 6.210 5.203 -9.713 1.00 73.42 H new ATOM 0 HB2 GLU A 6 5.752 6.113 -7.014 1.00 74.22 H new ATOM 0 HB3 GLU A 6 7.264 6.795 -7.578 1.00 74.22 H new ATOM 0 HG2 GLU A 6 5.888 8.408 -8.402 1.00 24.31 H new ATOM 0 HG3 GLU A 6 5.780 7.305 -9.760 1.00 24.31 H new ATOM 85 N PHE A 7 8.689 4.409 -7.675 1.00 50.02 N ATOM 86 CA PHE A 7 10.122 4.142 -7.621 1.00 53.50 C ATOM 87 C PHE A 7 10.506 3.035 -8.597 1.00 61.25 C ATOM 88 O PHE A 7 11.537 3.111 -9.267 1.00 32.23 O ATOM 89 CB PHE A 7 10.536 3.752 -6.201 1.00 10.33 C ATOM 90 CG PHE A 7 11.174 4.874 -5.433 1.00 12.53 C ATOM 91 CD1 PHE A 7 10.394 5.812 -4.775 1.00 43.42 C ATOM 92 CD2 PHE A 7 12.553 4.992 -5.369 1.00 30.43 C ATOM 93 CE1 PHE A 7 10.978 6.846 -4.067 1.00 41.12 C ATOM 94 CE2 PHE A 7 13.142 6.023 -4.662 1.00 63.20 C ATOM 95 CZ PHE A 7 12.354 6.952 -4.012 1.00 30.15 C ATOM 0 H PHE A 7 8.193 4.230 -6.802 1.00 50.02 H new ATOM 0 HA PHE A 7 10.647 5.053 -7.908 1.00 53.50 H new ATOM 0 HB2 PHE A 7 9.657 3.404 -5.658 1.00 10.33 H new ATOM 0 HB3 PHE A 7 11.232 2.915 -6.251 1.00 10.33 H new ATOM 0 HD1 PHE A 7 9.318 5.734 -4.816 1.00 43.42 H new ATOM 0 HD2 PHE A 7 13.175 4.270 -5.877 1.00 30.43 H new ATOM 0 HE1 PHE A 7 10.359 7.570 -3.558 1.00 41.12 H new ATOM 0 HE2 PHE A 7 14.218 6.102 -4.618 1.00 63.20 H new ATOM 0 HZ PHE A 7 12.813 7.760 -3.462 1.00 30.15 H new ATOM 105 N LYS A 8 9.670 2.005 -8.673 1.00 61.23 N ATOM 106 CA LYS A 8 9.920 0.880 -9.567 1.00 53.44 C ATOM 107 C LYS A 8 9.883 1.326 -11.026 1.00 14.13 C ATOM 108 O LYS A 8 10.701 0.893 -11.837 1.00 11.44 O ATOM 109 CB LYS A 8 8.885 -0.223 -9.334 1.00 1.22 C ATOM 110 CG LYS A 8 9.441 -1.434 -8.605 1.00 43.12 C ATOM 111 CD LYS A 8 10.506 -2.140 -9.428 1.00 52.34 C ATOM 112 CE LYS A 8 9.887 -3.073 -10.457 1.00 73.05 C ATOM 113 NZ LYS A 8 10.907 -3.952 -11.094 1.00 33.04 N ATOM 0 H LYS A 8 8.813 1.926 -8.126 1.00 61.23 H new ATOM 0 HA LYS A 8 10.914 0.489 -9.349 1.00 53.44 H new ATOM 0 HB2 LYS A 8 8.053 0.186 -8.760 1.00 1.22 H new ATOM 0 HB3 LYS A 8 8.483 -0.541 -10.296 1.00 1.22 H new ATOM 0 HG2 LYS A 8 9.865 -1.122 -7.650 1.00 43.12 H new ATOM 0 HG3 LYS A 8 8.632 -2.129 -8.383 1.00 43.12 H new ATOM 0 HD2 LYS A 8 11.127 -1.400 -9.933 1.00 52.34 H new ATOM 0 HD3 LYS A 8 11.161 -2.708 -8.767 1.00 52.34 H new ATOM 0 HE2 LYS A 8 9.126 -3.688 -9.978 1.00 73.05 H new ATOM 0 HE3 LYS A 8 9.384 -2.485 -11.225 1.00 73.05 H new ATOM 0 HZ1 LYS A 8 10.445 -4.573 -11.789 1.00 33.04 H new ATOM 0 HZ2 LYS A 8 11.620 -3.366 -11.573 1.00 33.04 H new ATOM 0 HZ3 LYS A 8 11.369 -4.532 -10.365 1.00 33.04 H new ATOM 127 N GLN A 9 8.930 2.194 -11.350 1.00 73.25 N ATOM 128 CA GLN A 9 8.788 2.698 -12.711 1.00 51.13 C ATOM 129 C GLN A 9 10.016 3.502 -13.125 1.00 23.13 C ATOM 130 O GLN A 9 10.627 3.233 -14.159 1.00 72.24 O ATOM 131 CB GLN A 9 7.533 3.565 -12.828 1.00 43.32 C ATOM 132 CG GLN A 9 6.664 3.220 -14.027 1.00 23.43 C ATOM 133 CD GLN A 9 5.207 3.580 -13.814 1.00 61.43 C ATOM 134 OE1 GLN A 9 4.669 3.416 -12.719 1.00 13.30 O ATOM 135 NE2 GLN A 9 4.560 4.073 -14.864 1.00 11.15 N ATOM 0 H GLN A 9 8.246 2.563 -10.690 1.00 73.25 H new ATOM 0 HA GLN A 9 8.694 1.843 -13.380 1.00 51.13 H new ATOM 0 HB2 GLN A 9 6.942 3.458 -11.919 1.00 43.32 H new ATOM 0 HB3 GLN A 9 7.830 4.612 -12.894 1.00 43.32 H new ATOM 0 HG2 GLN A 9 7.039 3.744 -14.906 1.00 23.43 H new ATOM 0 HG3 GLN A 9 6.744 2.153 -14.234 1.00 23.43 H new ATOM 0 HE21 GLN A 9 5.046 4.192 -15.753 1.00 11.15 H new ATOM 0 HE22 GLN A 9 3.577 4.333 -14.782 1.00 11.15 H new ATOM 144 N ARG A 10 10.373 4.489 -12.310 1.00 11.41 N ATOM 145 CA ARG A 10 11.528 5.333 -12.592 1.00 53.41 C ATOM 146 C ARG A 10 12.788 4.491 -12.764 1.00 60.33 C ATOM 147 O ARG A 10 13.558 4.690 -13.705 1.00 53.40 O ATOM 148 CB ARG A 10 11.731 6.350 -11.467 1.00 34.32 C ATOM 149 CG ARG A 10 10.610 7.371 -11.359 1.00 33.43 C ATOM 150 CD ARG A 10 10.238 7.638 -9.909 1.00 11.24 C ATOM 151 NE ARG A 10 10.780 8.907 -9.430 1.00 15.20 N ATOM 152 CZ ARG A 10 10.366 10.093 -9.863 1.00 35.12 C ATOM 153 NH1 ARG A 10 9.410 10.171 -10.779 1.00 10.45 N ATOM 154 NH2 ARG A 10 10.907 11.203 -9.379 1.00 3.31 N ATOM 0 H ARG A 10 9.879 4.724 -11.449 1.00 11.41 H new ATOM 0 HA ARG A 10 11.338 5.866 -13.524 1.00 53.41 H new ATOM 0 HB2 ARG A 10 11.819 5.818 -10.520 1.00 34.32 H new ATOM 0 HB3 ARG A 10 12.673 6.873 -11.628 1.00 34.32 H new ATOM 0 HG2 ARG A 10 10.918 8.302 -11.834 1.00 33.43 H new ATOM 0 HG3 ARG A 10 9.735 7.011 -11.900 1.00 33.43 H new ATOM 0 HD2 ARG A 10 9.153 7.646 -9.809 1.00 11.24 H new ATOM 0 HD3 ARG A 10 10.610 6.826 -9.284 1.00 11.24 H new ATOM 0 HE ARG A 10 11.516 8.881 -8.725 1.00 15.20 H new ATOM 0 HH11 ARG A 10 8.991 9.319 -11.153 1.00 10.45 H new ATOM 0 HH12 ARG A 10 9.094 11.083 -11.110 1.00 10.45 H new ATOM 0 HH21 ARG A 10 11.642 11.147 -8.674 1.00 3.31 H new ATOM 0 HH22 ARG A 10 10.588 12.113 -9.712 1.00 3.31 H new ATOM 168 N LEU A 11 12.993 3.549 -11.850 1.00 70.12 N ATOM 169 CA LEU A 11 14.160 2.675 -11.900 1.00 3.40 C ATOM 170 C LEU A 11 14.154 1.830 -13.169 1.00 73.43 C ATOM 171 O LEU A 11 15.198 1.600 -13.779 1.00 75.51 O ATOM 172 CB LEU A 11 14.196 1.768 -10.669 1.00 73.10 C ATOM 173 CG LEU A 11 15.468 1.834 -9.823 1.00 15.12 C ATOM 174 CD1 LEU A 11 15.760 3.268 -9.410 1.00 13.25 C ATOM 175 CD2 LEU A 11 15.340 0.940 -8.598 1.00 64.32 C ATOM 0 H LEU A 11 12.366 3.371 -11.065 1.00 70.12 H new ATOM 0 HA LEU A 11 15.052 3.302 -11.908 1.00 3.40 H new ATOM 0 HB2 LEU A 11 13.347 2.019 -10.033 1.00 73.10 H new ATOM 0 HB3 LEU A 11 14.055 0.738 -10.997 1.00 73.10 H new ATOM 0 HG LEU A 11 16.302 1.474 -10.426 1.00 15.12 H new ATOM 0 HD11 LEU A 11 16.669 3.296 -8.809 1.00 13.25 H new ATOM 0 HD12 LEU A 11 15.895 3.883 -10.300 1.00 13.25 H new ATOM 0 HD13 LEU A 11 14.926 3.655 -8.825 1.00 13.25 H new ATOM 0 HD21 LEU A 11 16.254 0.999 -8.007 1.00 64.32 H new ATOM 0 HD22 LEU A 11 14.495 1.270 -7.993 1.00 64.32 H new ATOM 0 HD23 LEU A 11 15.179 -0.090 -8.915 1.00 64.32 H new ATOM 187 N ALA A 12 12.970 1.371 -13.563 1.00 11.24 N ATOM 188 CA ALA A 12 12.827 0.555 -14.762 1.00 32.24 C ATOM 189 C ALA A 12 13.244 1.330 -16.007 1.00 11.13 C ATOM 190 O ALA A 12 13.976 0.817 -16.852 1.00 44.32 O ATOM 191 CB ALA A 12 11.393 0.065 -14.898 1.00 72.24 C ATOM 0 H ALA A 12 12.096 1.551 -13.069 1.00 11.24 H new ATOM 0 HA ALA A 12 13.487 -0.307 -14.666 1.00 32.24 H new ATOM 0 HB1 ALA A 12 11.300 -0.543 -15.798 1.00 72.24 H new ATOM 0 HB2 ALA A 12 11.129 -0.534 -14.026 1.00 72.24 H new ATOM 0 HB3 ALA A 12 10.721 0.921 -14.968 1.00 72.24 H new ATOM 197 N ALA A 13 12.772 2.568 -16.113 1.00 22.01 N ATOM 198 CA ALA A 13 13.098 3.414 -17.254 1.00 53.23 C ATOM 199 C ALA A 13 14.588 3.737 -17.291 1.00 74.13 C ATOM 200 O ALA A 13 15.208 3.726 -18.355 1.00 1.31 O ATOM 201 CB ALA A 13 12.279 4.696 -17.212 1.00 30.15 C ATOM 0 H ALA A 13 12.163 3.007 -15.423 1.00 22.01 H new ATOM 0 HA ALA A 13 12.849 2.866 -18.163 1.00 53.23 H new ATOM 0 HB1 ALA A 13 12.533 5.318 -18.070 1.00 30.15 H new ATOM 0 HB2 ALA A 13 11.217 4.451 -17.243 1.00 30.15 H new ATOM 0 HB3 ALA A 13 12.499 5.239 -16.293 1.00 30.15 H new ATOM 207 N ILE A 14 15.155 4.024 -16.125 1.00 22.23 N ATOM 208 CA ILE A 14 16.572 4.349 -16.025 1.00 5.21 C ATOM 209 C ILE A 14 17.439 3.158 -16.420 1.00 1.31 C ATOM 210 O ILE A 14 18.444 3.311 -17.114 1.00 64.41 O ATOM 211 CB ILE A 14 16.949 4.793 -14.599 1.00 41.20 C ATOM 212 CG1 ILE A 14 16.214 6.084 -14.233 1.00 10.14 C ATOM 213 CG2 ILE A 14 18.454 4.983 -14.484 1.00 1.24 C ATOM 214 CD1 ILE A 14 16.068 6.294 -12.742 1.00 2.14 C ATOM 0 H ILE A 14 14.655 4.038 -15.236 1.00 22.23 H new ATOM 0 HA ILE A 14 16.755 5.173 -16.714 1.00 5.21 H new ATOM 0 HB ILE A 14 16.647 4.014 -13.899 1.00 41.20 H new ATOM 0 HG12 ILE A 14 16.750 6.931 -14.660 1.00 10.14 H new ATOM 0 HG13 ILE A 14 15.224 6.071 -14.689 1.00 10.14 H new ATOM 0 HG21 ILE A 14 18.705 5.297 -13.471 1.00 1.24 H new ATOM 0 HG22 ILE A 14 18.958 4.043 -14.708 1.00 1.24 H new ATOM 0 HG23 ILE A 14 18.779 5.746 -15.191 1.00 1.24 H new ATOM 0 HD11 ILE A 14 15.538 7.228 -12.556 1.00 2.14 H new ATOM 0 HD12 ILE A 14 15.506 5.466 -12.311 1.00 2.14 H new ATOM 0 HD13 ILE A 14 17.055 6.340 -12.283 1.00 2.14 H new ATOM 226 N LYS A 15 17.042 1.971 -15.974 1.00 50.15 N ATOM 227 CA LYS A 15 17.779 0.752 -16.283 1.00 65.31 C ATOM 228 C LYS A 15 17.696 0.428 -17.771 1.00 62.53 C ATOM 229 O LYS A 15 18.690 0.048 -18.392 1.00 30.54 O ATOM 230 CB LYS A 15 17.234 -0.420 -15.464 1.00 11.02 C ATOM 231 CG LYS A 15 18.309 -1.380 -14.985 1.00 20.11 C ATOM 232 CD LYS A 15 17.928 -2.825 -15.258 1.00 71.42 C ATOM 233 CE LYS A 15 16.975 -3.360 -14.200 1.00 25.32 C ATOM 234 NZ LYS A 15 15.629 -3.654 -14.763 1.00 54.22 N ATOM 0 H LYS A 15 16.213 1.828 -15.397 1.00 50.15 H new ATOM 0 HA LYS A 15 18.825 0.914 -16.022 1.00 65.31 H new ATOM 0 HB2 LYS A 15 16.696 -0.029 -14.600 1.00 11.02 H new ATOM 0 HB3 LYS A 15 16.511 -0.969 -16.068 1.00 11.02 H new ATOM 0 HG2 LYS A 15 19.251 -1.151 -15.483 1.00 20.11 H new ATOM 0 HG3 LYS A 15 18.472 -1.241 -13.916 1.00 20.11 H new ATOM 0 HD2 LYS A 15 17.462 -2.900 -16.240 1.00 71.42 H new ATOM 0 HD3 LYS A 15 18.827 -3.441 -15.284 1.00 71.42 H new ATOM 0 HE2 LYS A 15 17.391 -4.267 -13.762 1.00 25.32 H new ATOM 0 HE3 LYS A 15 16.880 -2.631 -13.395 1.00 25.32 H new ATOM 0 HZ1 LYS A 15 15.009 -4.016 -14.010 1.00 54.22 H new ATOM 0 HZ2 LYS A 15 15.220 -2.783 -15.159 1.00 54.22 H new ATOM 0 HZ3 LYS A 15 15.715 -4.368 -15.514 1.00 54.22 H new ATOM 248 N THR A 16 16.504 0.581 -18.340 1.00 45.22 N ATOM 249 CA THR A 16 16.292 0.305 -19.755 1.00 52.24 C ATOM 250 C THR A 16 17.174 1.192 -20.627 1.00 75.01 C ATOM 251 O THR A 16 17.889 0.704 -21.502 1.00 21.32 O ATOM 252 CB THR A 16 14.819 0.515 -20.154 1.00 13.44 C ATOM 253 OG1 THR A 16 13.977 -0.361 -19.397 1.00 33.14 O ATOM 254 CG2 THR A 16 14.618 0.261 -21.640 1.00 3.01 C ATOM 0 H THR A 16 15.671 0.895 -17.842 1.00 45.22 H new ATOM 0 HA THR A 16 16.559 -0.739 -19.916 1.00 52.24 H new ATOM 0 HB THR A 16 14.552 1.550 -19.940 1.00 13.44 H new ATOM 0 HG1 THR A 16 13.910 -0.035 -18.475 1.00 33.14 H new ATOM 0 HG21 THR A 16 13.570 0.416 -21.897 1.00 3.01 H new ATOM 0 HG22 THR A 16 15.238 0.950 -22.214 1.00 3.01 H new ATOM 0 HG23 THR A 16 14.902 -0.765 -21.875 1.00 3.01 H new ATOM 262 N ARG A 17 17.118 2.497 -20.382 1.00 53.15 N ATOM 263 CA ARG A 17 17.912 3.452 -21.146 1.00 55.12 C ATOM 264 C ARG A 17 19.403 3.231 -20.911 1.00 32.21 C ATOM 265 O ARG A 17 20.213 3.366 -21.829 1.00 30.33 O ATOM 266 CB ARG A 17 17.531 4.884 -20.765 1.00 2.00 C ATOM 267 CG ARG A 17 16.381 5.447 -21.584 1.00 10.25 C ATOM 268 CD ARG A 17 15.038 4.951 -21.072 1.00 32.40 C ATOM 269 NE ARG A 17 13.997 5.039 -22.092 1.00 53.34 N ATOM 270 CZ ARG A 17 12.795 4.488 -21.966 1.00 14.53 C ATOM 271 NH1 ARG A 17 12.484 3.813 -20.868 1.00 15.32 N ATOM 272 NH2 ARG A 17 11.901 4.613 -22.938 1.00 74.13 N ATOM 0 H ARG A 17 16.531 2.917 -19.661 1.00 53.15 H new ATOM 0 HA ARG A 17 17.702 3.297 -22.204 1.00 55.12 H new ATOM 0 HB2 ARG A 17 17.261 4.910 -19.709 1.00 2.00 H new ATOM 0 HB3 ARG A 17 18.402 5.528 -20.887 1.00 2.00 H new ATOM 0 HG2 ARG A 17 16.406 6.536 -21.548 1.00 10.25 H new ATOM 0 HG3 ARG A 17 16.502 5.160 -22.629 1.00 10.25 H new ATOM 0 HD2 ARG A 17 15.135 3.917 -20.742 1.00 32.40 H new ATOM 0 HD3 ARG A 17 14.743 5.537 -20.202 1.00 32.40 H new ATOM 0 HE ARG A 17 14.204 5.552 -22.949 1.00 53.34 H new ATOM 0 HH11 ARG A 17 13.168 3.716 -20.118 1.00 15.32 H new ATOM 0 HH12 ARG A 17 11.560 3.391 -20.773 1.00 15.32 H new ATOM 0 HH21 ARG A 17 12.136 5.133 -23.784 1.00 74.13 H new ATOM 0 HH22 ARG A 17 10.978 4.189 -22.840 1.00 74.13 H new ATOM 286 N CYS A 18 19.758 2.891 -19.677 1.00 15.13 N ATOM 287 CA CYS A 18 21.152 2.652 -19.320 1.00 54.31 C ATOM 288 C CYS A 18 21.683 1.401 -20.011 1.00 72.31 C ATOM 289 O CYS A 18 22.842 1.351 -20.420 1.00 5.31 O ATOM 290 CB CYS A 18 21.295 2.512 -17.804 1.00 1.41 C ATOM 291 SG CYS A 18 21.419 4.088 -16.926 1.00 2.13 S ATOM 0 H CYS A 18 19.100 2.775 -18.907 1.00 15.13 H new ATOM 0 HA CYS A 18 21.739 3.507 -19.655 1.00 54.31 H new ATOM 0 HB2 CYS A 18 20.438 1.960 -17.418 1.00 1.41 H new ATOM 0 HB3 CYS A 18 22.182 1.916 -17.587 1.00 1.41 H new ATOM 0 HG CYS A 18 22.639 4.259 -16.511 1.00 2.13 H new ATOM 297 N GLN A 19 20.827 0.392 -20.136 1.00 32.41 N ATOM 298 CA GLN A 19 21.212 -0.861 -20.775 1.00 74.22 C ATOM 299 C GLN A 19 21.346 -0.684 -22.284 1.00 12.40 C ATOM 300 O GLN A 19 22.292 -1.178 -22.895 1.00 64.31 O ATOM 301 CB GLN A 19 20.184 -1.952 -20.468 1.00 1.25 C ATOM 302 CG GLN A 19 20.123 -2.333 -18.997 1.00 50.21 C ATOM 303 CD GLN A 19 20.777 -3.670 -18.713 1.00 64.31 C ATOM 304 OE1 GLN A 19 21.766 -4.038 -19.348 1.00 60.25 O ATOM 305 NE2 GLN A 19 20.228 -4.407 -17.754 1.00 43.31 N ATOM 0 H GLN A 19 19.863 0.418 -19.804 1.00 32.41 H new ATOM 0 HA GLN A 19 22.181 -1.161 -20.375 1.00 74.22 H new ATOM 0 HB2 GLN A 19 19.199 -1.612 -20.788 1.00 1.25 H new ATOM 0 HB3 GLN A 19 20.421 -2.839 -21.055 1.00 1.25 H new ATOM 0 HG2 GLN A 19 20.613 -1.560 -18.405 1.00 50.21 H new ATOM 0 HG3 GLN A 19 19.081 -2.367 -18.677 1.00 50.21 H new ATOM 0 HE21 GLN A 19 19.409 -4.064 -17.253 1.00 43.31 H new ATOM 0 HE22 GLN A 19 20.626 -5.316 -17.519 1.00 43.31 H new ATOM 314 N ALA A 20 20.392 0.025 -22.879 1.00 11.45 N ATOM 315 CA ALA A 20 20.405 0.270 -24.315 1.00 73.45 C ATOM 316 C ALA A 20 21.478 1.286 -24.690 1.00 13.40 C ATOM 317 O ALA A 20 22.035 1.241 -25.788 1.00 34.12 O ATOM 318 CB ALA A 20 19.037 0.746 -24.782 1.00 42.41 C ATOM 0 H ALA A 20 19.600 0.440 -22.388 1.00 11.45 H new ATOM 0 HA ALA A 20 20.641 -0.669 -24.816 1.00 73.45 H new ATOM 0 HB1 ALA A 20 19.062 0.925 -25.857 1.00 42.41 H new ATOM 0 HB2 ALA A 20 18.291 -0.016 -24.558 1.00 42.41 H new ATOM 0 HB3 ALA A 20 18.778 1.670 -24.266 1.00 42.41 H new ATOM 324 N LEU A 21 21.763 2.203 -23.772 1.00 50.53 N ATOM 325 CA LEU A 21 22.770 3.233 -24.007 1.00 33.15 C ATOM 326 C LEU A 21 22.484 3.990 -25.299 1.00 54.23 C ATOM 327 O LEU A 21 23.390 4.545 -25.920 1.00 31.54 O ATOM 328 CB LEU A 21 24.164 2.606 -24.067 1.00 11.41 C ATOM 329 CG LEU A 21 24.522 1.654 -22.925 1.00 73.04 C ATOM 330 CD1 LEU A 21 25.448 0.554 -23.419 1.00 24.21 C ATOM 331 CD2 LEU A 21 25.162 2.417 -21.775 1.00 50.00 C ATOM 0 H LEU A 21 21.312 2.255 -22.859 1.00 50.53 H new ATOM 0 HA LEU A 21 22.731 3.940 -23.178 1.00 33.15 H new ATOM 0 HB2 LEU A 21 24.256 2.063 -25.008 1.00 11.41 H new ATOM 0 HB3 LEU A 21 24.901 3.409 -24.088 1.00 11.41 H new ATOM 0 HG LEU A 21 23.604 1.192 -22.561 1.00 73.04 H new ATOM 0 HD11 LEU A 21 25.692 -0.114 -22.593 1.00 24.21 H new ATOM 0 HD12 LEU A 21 24.953 -0.011 -24.209 1.00 24.21 H new ATOM 0 HD13 LEU A 21 26.364 0.998 -23.810 1.00 24.21 H new ATOM 0 HD21 LEU A 21 25.410 1.723 -20.972 1.00 50.00 H new ATOM 0 HD22 LEU A 21 26.071 2.907 -22.125 1.00 50.00 H new ATOM 0 HD23 LEU A 21 24.465 3.168 -21.404 1.00 50.00 H new ATOM 343 N GLY A 22 21.216 4.011 -25.699 1.00 74.21 N ATOM 344 CA GLY A 22 20.832 4.705 -26.915 1.00 22.43 C ATOM 345 C GLY A 22 20.209 6.058 -26.638 1.00 0.44 C ATOM 346 O GLY A 22 19.629 6.677 -27.529 1.00 33.50 O ATOM 0 H GLY A 22 20.448 3.560 -25.203 1.00 74.21 H new ATOM 0 HA2 GLY A 22 21.710 4.835 -27.548 1.00 22.43 H new ATOM 0 HA3 GLY A 22 20.125 4.090 -27.473 1.00 22.43 H new ATOM 350 N GLY A 23 20.328 6.520 -25.396 1.00 52.24 N ATOM 351 CA GLY A 23 19.765 7.805 -25.026 1.00 51.51 C ATOM 352 C GLY A 23 20.668 8.964 -25.402 1.00 34.31 C ATOM 353 O GLY A 23 20.281 9.833 -26.184 1.00 22.55 O ATOM 0 H GLY A 23 20.804 6.027 -24.641 1.00 52.24 H new ATOM 0 HA2 GLY A 23 18.798 7.929 -25.514 1.00 51.51 H new ATOM 0 HA3 GLY A 23 19.584 7.823 -23.951 1.00 51.51 H new ATOM 357 N SER A 24 21.873 8.978 -24.843 1.00 25.32 N ATOM 358 CA SER A 24 22.832 10.041 -25.119 1.00 50.35 C ATOM 359 C SER A 24 24.131 9.815 -24.352 1.00 60.11 C ATOM 360 O SER A 24 24.114 9.489 -23.166 1.00 1.55 O ATOM 361 CB SER A 24 22.238 11.401 -24.749 1.00 13.43 C ATOM 362 OG SER A 24 21.914 12.150 -25.908 1.00 24.31 O ATOM 0 H SER A 24 22.209 8.265 -24.196 1.00 25.32 H new ATOM 0 HA SER A 24 23.054 10.027 -26.186 1.00 50.35 H new ATOM 0 HB2 SER A 24 21.343 11.258 -24.143 1.00 13.43 H new ATOM 0 HB3 SER A 24 22.950 11.958 -24.140 1.00 13.43 H new ATOM 0 HG SER A 24 21.250 11.662 -26.438 1.00 24.31 H new ATOM 368 N GLU A 25 25.255 9.990 -25.040 1.00 23.15 N ATOM 369 CA GLU A 25 26.564 9.804 -24.423 1.00 74.00 C ATOM 370 C GLU A 25 26.666 10.586 -23.117 1.00 13.13 C ATOM 371 O GLU A 25 27.321 10.151 -22.170 1.00 52.22 O ATOM 372 CB GLU A 25 27.671 10.245 -25.382 1.00 63.11 C ATOM 373 CG GLU A 25 27.531 11.682 -25.855 1.00 55.01 C ATOM 374 CD GLU A 25 28.601 12.592 -25.284 1.00 34.34 C ATOM 375 OE1 GLU A 25 28.481 12.981 -24.103 1.00 53.55 O ATOM 376 OE2 GLU A 25 29.559 12.914 -26.018 1.00 34.45 O ATOM 0 H GLU A 25 25.286 10.260 -26.023 1.00 23.15 H new ATOM 0 HA GLU A 25 26.686 8.744 -24.202 1.00 74.00 H new ATOM 0 HB2 GLU A 25 28.636 10.126 -24.889 1.00 63.11 H new ATOM 0 HB3 GLU A 25 27.673 9.585 -26.249 1.00 63.11 H new ATOM 0 HG2 GLU A 25 27.580 11.708 -26.944 1.00 55.01 H new ATOM 0 HG3 GLU A 25 26.549 12.060 -25.571 1.00 55.01 H new ATOM 383 N ALA A 26 26.013 11.743 -23.074 1.00 42.12 N ATOM 384 CA ALA A 26 26.029 12.586 -21.885 1.00 33.32 C ATOM 385 C ALA A 26 24.941 12.168 -20.902 1.00 33.54 C ATOM 386 O ALA A 26 25.119 12.264 -19.688 1.00 33.21 O ATOM 387 CB ALA A 26 25.860 14.048 -22.271 1.00 61.54 C ATOM 0 H ALA A 26 25.466 12.118 -23.849 1.00 42.12 H new ATOM 0 HA ALA A 26 26.994 12.461 -21.394 1.00 33.32 H new ATOM 0 HB1 ALA A 26 25.874 14.665 -21.373 1.00 61.54 H new ATOM 0 HB2 ALA A 26 26.675 14.347 -22.930 1.00 61.54 H new ATOM 0 HB3 ALA A 26 24.909 14.180 -22.788 1.00 61.54 H new ATOM 393 N GLU A 27 23.814 11.704 -21.434 1.00 43.14 N ATOM 394 CA GLU A 27 22.697 11.273 -20.602 1.00 43.01 C ATOM 395 C GLU A 27 23.164 10.290 -19.532 1.00 13.31 C ATOM 396 O GLU A 27 22.616 10.250 -18.430 1.00 14.34 O ATOM 397 CB GLU A 27 21.610 10.628 -21.464 1.00 32.35 C ATOM 398 CG GLU A 27 20.438 11.550 -21.756 1.00 33.55 C ATOM 399 CD GLU A 27 19.708 11.982 -20.498 1.00 70.55 C ATOM 400 OE1 GLU A 27 18.786 11.257 -20.068 1.00 44.21 O ATOM 401 OE2 GLU A 27 20.059 13.045 -19.945 1.00 24.40 O ATOM 0 H GLU A 27 23.651 11.617 -22.437 1.00 43.14 H new ATOM 0 HA GLU A 27 22.284 12.152 -20.108 1.00 43.01 H new ATOM 0 HB2 GLU A 27 22.050 10.304 -22.407 1.00 32.35 H new ATOM 0 HB3 GLU A 27 21.242 9.734 -20.961 1.00 32.35 H new ATOM 0 HG2 GLU A 27 20.798 12.433 -22.284 1.00 33.55 H new ATOM 0 HG3 GLU A 27 19.739 11.043 -22.421 1.00 33.55 H new ATOM 408 N CYS A 28 24.178 9.500 -19.865 1.00 74.50 N ATOM 409 CA CYS A 28 24.718 8.515 -18.934 1.00 14.33 C ATOM 410 C CYS A 28 25.029 9.156 -17.585 1.00 40.33 C ATOM 411 O CYS A 28 24.710 8.601 -16.534 1.00 61.14 O ATOM 412 CB CYS A 28 25.981 7.875 -19.512 1.00 14.04 C ATOM 413 SG CYS A 28 25.764 7.176 -21.165 1.00 34.43 S ATOM 0 H CYS A 28 24.643 9.522 -20.773 1.00 74.50 H new ATOM 0 HA CYS A 28 23.965 7.742 -18.783 1.00 14.33 H new ATOM 0 HB2 CYS A 28 26.772 8.624 -19.547 1.00 14.04 H new ATOM 0 HB3 CYS A 28 26.318 7.088 -18.838 1.00 14.04 H new ATOM 0 HG CYS A 28 25.222 8.064 -21.944 1.00 34.43 H new ATOM 419 N ALA A 29 25.655 10.328 -17.623 1.00 64.24 N ATOM 420 CA ALA A 29 26.010 11.045 -16.405 1.00 32.43 C ATOM 421 C ALA A 29 24.780 11.297 -15.539 1.00 21.01 C ATOM 422 O ALA A 29 24.763 10.960 -14.356 1.00 32.24 O ATOM 423 CB ALA A 29 26.696 12.359 -16.746 1.00 61.11 C ATOM 0 H ALA A 29 25.927 10.801 -18.485 1.00 64.24 H new ATOM 0 HA ALA A 29 26.702 10.424 -15.836 1.00 32.43 H new ATOM 0 HB1 ALA A 29 26.955 12.883 -15.826 1.00 61.11 H new ATOM 0 HB2 ALA A 29 27.602 12.159 -17.317 1.00 61.11 H new ATOM 0 HB3 ALA A 29 26.023 12.978 -17.339 1.00 61.11 H new ATOM 429 N ALA A 30 23.753 11.893 -16.137 1.00 25.33 N ATOM 430 CA ALA A 30 22.519 12.189 -15.420 1.00 43.01 C ATOM 431 C ALA A 30 21.939 10.931 -14.782 1.00 43.23 C ATOM 432 O ALA A 30 21.377 10.981 -13.688 1.00 73.42 O ATOM 433 CB ALA A 30 21.504 12.824 -16.358 1.00 75.34 C ATOM 0 H ALA A 30 23.752 12.180 -17.116 1.00 25.33 H new ATOM 0 HA ALA A 30 22.751 12.894 -14.622 1.00 43.01 H new ATOM 0 HB1 ALA A 30 20.587 13.040 -15.810 1.00 75.34 H new ATOM 0 HB2 ALA A 30 21.912 13.751 -16.762 1.00 75.34 H new ATOM 0 HB3 ALA A 30 21.285 12.137 -17.176 1.00 75.34 H new ATOM 439 N PHE A 31 22.079 9.805 -15.473 1.00 63.41 N ATOM 440 CA PHE A 31 21.567 8.533 -14.974 1.00 45.45 C ATOM 441 C PHE A 31 22.282 8.126 -13.690 1.00 25.44 C ATOM 442 O PHE A 31 21.644 7.800 -12.689 1.00 64.22 O ATOM 443 CB PHE A 31 21.735 7.442 -16.033 1.00 73.52 C ATOM 444 CG PHE A 31 20.578 7.349 -16.987 1.00 30.12 C ATOM 445 CD1 PHE A 31 19.277 7.288 -16.515 1.00 12.45 C ATOM 446 CD2 PHE A 31 20.792 7.322 -18.355 1.00 71.15 C ATOM 447 CE1 PHE A 31 18.210 7.204 -17.389 1.00 60.54 C ATOM 448 CE2 PHE A 31 19.729 7.238 -19.235 1.00 62.40 C ATOM 449 CZ PHE A 31 18.437 7.177 -18.751 1.00 52.04 C ATOM 0 H PHE A 31 22.542 9.747 -16.380 1.00 63.41 H new ATOM 0 HA PHE A 31 20.506 8.657 -14.755 1.00 45.45 H new ATOM 0 HB2 PHE A 31 22.647 7.633 -16.598 1.00 73.52 H new ATOM 0 HB3 PHE A 31 21.864 6.481 -15.536 1.00 73.52 H new ATOM 0 HD1 PHE A 31 19.094 7.306 -15.451 1.00 12.45 H new ATOM 0 HD2 PHE A 31 21.801 7.367 -18.739 1.00 71.15 H new ATOM 0 HE1 PHE A 31 17.201 7.160 -17.008 1.00 60.54 H new ATOM 0 HE2 PHE A 31 19.909 7.220 -20.300 1.00 62.40 H new ATOM 0 HZ PHE A 31 17.605 7.108 -19.437 1.00 52.04 H new ATOM 459 N GLU A 32 23.611 8.146 -13.727 1.00 2.02 N ATOM 460 CA GLU A 32 24.413 7.777 -12.566 1.00 51.00 C ATOM 461 C GLU A 32 24.032 8.619 -11.352 1.00 33.34 C ATOM 462 O GLU A 32 23.824 8.093 -10.258 1.00 3.34 O ATOM 463 CB GLU A 32 25.902 7.948 -12.872 1.00 4.42 C ATOM 464 CG GLU A 32 26.655 6.634 -12.989 1.00 71.33 C ATOM 465 CD GLU A 32 28.042 6.806 -13.576 1.00 44.11 C ATOM 466 OE1 GLU A 32 28.745 7.755 -13.170 1.00 41.14 O ATOM 467 OE2 GLU A 32 28.425 5.991 -14.441 1.00 64.14 O ATOM 0 H GLU A 32 24.155 8.414 -14.548 1.00 2.02 H new ATOM 0 HA GLU A 32 24.214 6.730 -12.337 1.00 51.00 H new ATOM 0 HB2 GLU A 32 26.011 8.504 -13.803 1.00 4.42 H new ATOM 0 HB3 GLU A 32 26.359 8.550 -12.086 1.00 4.42 H new ATOM 0 HG2 GLU A 32 26.736 6.177 -12.003 1.00 71.33 H new ATOM 0 HG3 GLU A 32 26.084 5.946 -13.613 1.00 71.33 H new ATOM 474 N LYS A 33 23.942 9.929 -11.552 1.00 55.12 N ATOM 475 CA LYS A 33 23.585 10.846 -10.476 1.00 32.43 C ATOM 476 C LYS A 33 22.210 10.508 -9.907 1.00 4.12 C ATOM 477 O LYS A 33 22.045 10.383 -8.694 1.00 0.11 O ATOM 478 CB LYS A 33 23.598 12.290 -10.982 1.00 62.33 C ATOM 479 CG LYS A 33 24.824 13.075 -10.549 1.00 20.12 C ATOM 480 CD LYS A 33 25.895 13.076 -11.626 1.00 65.33 C ATOM 481 CE LYS A 33 26.473 14.467 -11.837 1.00 23.14 C ATOM 482 NZ LYS A 33 27.337 14.531 -13.048 1.00 2.31 N ATOM 0 H LYS A 33 24.112 10.380 -12.451 1.00 55.12 H new ATOM 0 HA LYS A 33 24.324 10.740 -9.682 1.00 32.43 H new ATOM 0 HB2 LYS A 33 23.546 12.285 -12.071 1.00 62.33 H new ATOM 0 HB3 LYS A 33 22.704 12.800 -10.622 1.00 62.33 H new ATOM 0 HG2 LYS A 33 24.537 14.101 -10.319 1.00 20.12 H new ATOM 0 HG3 LYS A 33 25.228 12.644 -9.633 1.00 20.12 H new ATOM 0 HD2 LYS A 33 26.693 12.388 -11.347 1.00 65.33 H new ATOM 0 HD3 LYS A 33 25.472 12.711 -12.562 1.00 65.33 H new ATOM 0 HE2 LYS A 33 25.660 15.187 -11.932 1.00 23.14 H new ATOM 0 HE3 LYS A 33 27.054 14.756 -10.961 1.00 23.14 H new ATOM 0 HZ1 LYS A 33 27.711 15.495 -13.157 1.00 2.31 H new ATOM 0 HZ2 LYS A 33 28.127 13.862 -12.947 1.00 2.31 H new ATOM 0 HZ3 LYS A 33 26.777 14.280 -13.888 1.00 2.31 H new ATOM 496 N GLU A 34 21.229 10.361 -10.791 1.00 33.40 N ATOM 497 CA GLU A 34 19.869 10.037 -10.375 1.00 22.30 C ATOM 498 C GLU A 34 19.854 8.802 -9.478 1.00 3.53 C ATOM 499 O GLU A 34 19.233 8.803 -8.415 1.00 35.52 O ATOM 500 CB GLU A 34 18.980 9.802 -11.598 1.00 0.40 C ATOM 501 CG GLU A 34 17.733 10.670 -11.619 1.00 50.21 C ATOM 502 CD GLU A 34 17.037 10.658 -12.966 1.00 53.31 C ATOM 503 OE1 GLU A 34 17.599 11.217 -13.930 1.00 44.55 O ATOM 504 OE2 GLU A 34 15.929 10.089 -13.055 1.00 54.14 O ATOM 0 H GLU A 34 21.350 10.461 -11.799 1.00 33.40 H new ATOM 0 HA GLU A 34 19.479 10.882 -9.808 1.00 22.30 H new ATOM 0 HB2 GLU A 34 19.560 9.992 -12.501 1.00 0.40 H new ATOM 0 HB3 GLU A 34 18.683 8.754 -11.625 1.00 0.40 H new ATOM 0 HG2 GLU A 34 17.040 10.322 -10.853 1.00 50.21 H new ATOM 0 HG3 GLU A 34 18.003 11.694 -11.363 1.00 50.21 H new ATOM 511 N ILE A 35 20.542 7.753 -9.914 1.00 24.10 N ATOM 512 CA ILE A 35 20.609 6.513 -9.151 1.00 32.22 C ATOM 513 C ILE A 35 21.208 6.749 -7.769 1.00 5.32 C ATOM 514 O ILE A 35 20.694 6.256 -6.765 1.00 44.33 O ATOM 515 CB ILE A 35 21.442 5.445 -9.884 1.00 30.35 C ATOM 516 CG1 ILE A 35 20.794 5.092 -11.224 1.00 41.42 C ATOM 517 CG2 ILE A 35 21.590 4.202 -9.018 1.00 11.52 C ATOM 518 CD1 ILE A 35 19.491 4.336 -11.086 1.00 4.35 C ATOM 0 H ILE A 35 21.061 7.737 -10.792 1.00 24.10 H new ATOM 0 HA ILE A 35 19.586 6.153 -9.044 1.00 32.22 H new ATOM 0 HB ILE A 35 22.435 5.850 -10.077 1.00 30.35 H new ATOM 0 HG12 ILE A 35 20.614 6.010 -11.784 1.00 41.42 H new ATOM 0 HG13 ILE A 35 21.492 4.493 -11.809 1.00 41.42 H new ATOM 0 HG21 ILE A 35 22.181 3.456 -9.550 1.00 11.52 H new ATOM 0 HG22 ILE A 35 22.091 4.465 -8.086 1.00 11.52 H new ATOM 0 HG23 ILE A 35 20.604 3.793 -8.797 1.00 11.52 H new ATOM 0 HD11 ILE A 35 19.089 4.120 -12.076 1.00 4.35 H new ATOM 0 HD12 ILE A 35 19.667 3.401 -10.554 1.00 4.35 H new ATOM 0 HD13 ILE A 35 18.776 4.942 -10.529 1.00 4.35 H new ATOM 530 N ALA A 36 22.298 7.509 -7.725 1.00 23.33 N ATOM 531 CA ALA A 36 22.966 7.814 -6.466 1.00 10.34 C ATOM 532 C ALA A 36 21.996 8.437 -5.467 1.00 22.42 C ATOM 533 O ALA A 36 21.936 8.027 -4.308 1.00 1.00 O ATOM 534 CB ALA A 36 24.147 8.743 -6.706 1.00 51.03 C ATOM 0 H ALA A 36 22.737 7.924 -8.547 1.00 23.33 H new ATOM 0 HA ALA A 36 23.333 6.879 -6.043 1.00 10.34 H new ATOM 0 HB1 ALA A 36 24.636 8.962 -5.757 1.00 51.03 H new ATOM 0 HB2 ALA A 36 24.858 8.262 -7.378 1.00 51.03 H new ATOM 0 HB3 ALA A 36 23.794 9.671 -7.155 1.00 51.03 H new ATOM 540 N ALA A 37 21.239 9.429 -5.924 1.00 21.32 N ATOM 541 CA ALA A 37 20.271 10.106 -5.070 1.00 41.53 C ATOM 542 C ALA A 37 19.145 9.163 -4.660 1.00 45.12 C ATOM 543 O ALA A 37 18.636 9.238 -3.542 1.00 31.41 O ATOM 544 CB ALA A 37 19.706 11.328 -5.780 1.00 3.33 C ATOM 0 H ALA A 37 21.277 9.782 -6.880 1.00 21.32 H new ATOM 0 HA ALA A 37 20.786 10.429 -4.165 1.00 41.53 H new ATOM 0 HB1 ALA A 37 18.984 11.824 -5.131 1.00 3.33 H new ATOM 0 HB2 ALA A 37 20.516 12.018 -6.017 1.00 3.33 H new ATOM 0 HB3 ALA A 37 19.213 11.018 -6.701 1.00 3.33 H new ATOM 550 N PHE A 38 18.761 8.276 -5.572 1.00 41.32 N ATOM 551 CA PHE A 38 17.694 7.319 -5.306 1.00 31.14 C ATOM 552 C PHE A 38 18.035 6.445 -4.102 1.00 65.24 C ATOM 553 O PHE A 38 17.266 6.360 -3.146 1.00 2.42 O ATOM 554 CB PHE A 38 17.448 6.441 -6.535 1.00 4.24 C ATOM 555 CG PHE A 38 16.139 6.717 -7.216 1.00 73.02 C ATOM 556 CD1 PHE A 38 15.830 7.992 -7.663 1.00 32.34 C ATOM 557 CD2 PHE A 38 15.216 5.701 -7.410 1.00 42.40 C ATOM 558 CE1 PHE A 38 14.626 8.249 -8.291 1.00 35.24 C ATOM 559 CE2 PHE A 38 14.011 5.952 -8.038 1.00 13.44 C ATOM 560 CZ PHE A 38 13.714 7.228 -8.477 1.00 65.13 C ATOM 0 H PHE A 38 19.173 8.200 -6.502 1.00 41.32 H new ATOM 0 HA PHE A 38 16.786 7.879 -5.081 1.00 31.14 H new ATOM 0 HB2 PHE A 38 18.258 6.593 -7.248 1.00 4.24 H new ATOM 0 HB3 PHE A 38 17.479 5.393 -6.235 1.00 4.24 H new ATOM 0 HD1 PHE A 38 16.539 8.794 -7.519 1.00 32.34 H new ATOM 0 HD2 PHE A 38 15.441 4.702 -7.066 1.00 42.40 H new ATOM 0 HE1 PHE A 38 14.398 9.247 -8.636 1.00 35.24 H new ATOM 0 HE2 PHE A 38 13.302 5.151 -8.186 1.00 13.44 H new ATOM 0 HZ PHE A 38 12.771 7.427 -8.964 1.00 65.13 H new ATOM 570 N GLU A 39 19.194 5.796 -4.160 1.00 5.23 N ATOM 571 CA GLU A 39 19.637 4.927 -3.076 1.00 2.35 C ATOM 572 C GLU A 39 19.875 5.729 -1.799 1.00 22.42 C ATOM 573 O GLU A 39 19.563 5.272 -0.699 1.00 71.22 O ATOM 574 CB GLU A 39 20.917 4.190 -3.474 1.00 21.53 C ATOM 575 CG GLU A 39 22.051 5.115 -3.882 1.00 70.23 C ATOM 576 CD GLU A 39 23.280 4.360 -4.350 1.00 61.01 C ATOM 577 OE1 GLU A 39 23.215 3.116 -4.434 1.00 21.52 O ATOM 578 OE2 GLU A 39 24.306 5.013 -4.632 1.00 64.10 O ATOM 0 H GLU A 39 19.842 5.856 -4.945 1.00 5.23 H new ATOM 0 HA GLU A 39 18.850 4.197 -2.885 1.00 2.35 H new ATOM 0 HB2 GLU A 39 21.246 3.573 -2.638 1.00 21.53 H new ATOM 0 HB3 GLU A 39 20.695 3.515 -4.300 1.00 21.53 H new ATOM 0 HG2 GLU A 39 21.708 5.774 -4.680 1.00 70.23 H new ATOM 0 HG3 GLU A 39 22.319 5.750 -3.037 1.00 70.23 H new ATOM 585 N SER A 40 20.431 6.926 -1.954 1.00 11.13 N ATOM 586 CA SER A 40 20.715 7.790 -0.814 1.00 25.11 C ATOM 587 C SER A 40 19.423 8.265 -0.157 1.00 3.44 C ATOM 588 O SER A 40 19.391 8.547 1.041 1.00 43.54 O ATOM 589 CB SER A 40 21.549 8.994 -1.255 1.00 45.23 C ATOM 590 OG SER A 40 21.707 9.922 -0.196 1.00 34.35 O ATOM 0 H SER A 40 20.694 7.320 -2.858 1.00 11.13 H new ATOM 0 HA SER A 40 21.282 7.212 -0.084 1.00 25.11 H new ATOM 0 HB2 SER A 40 22.528 8.657 -1.596 1.00 45.23 H new ATOM 0 HB3 SER A 40 21.068 9.483 -2.102 1.00 45.23 H new ATOM 0 HG SER A 40 22.245 10.681 -0.504 1.00 34.35 H new ATOM 596 N GLU A 41 18.360 8.351 -0.950 1.00 0.30 N ATOM 597 CA GLU A 41 17.065 8.793 -0.446 1.00 2.33 C ATOM 598 C GLU A 41 16.325 7.645 0.234 1.00 21.11 C ATOM 599 O GLU A 41 15.643 7.840 1.241 1.00 5.23 O ATOM 600 CB GLU A 41 16.215 9.359 -1.585 1.00 61.23 C ATOM 601 CG GLU A 41 16.389 10.854 -1.790 1.00 50.32 C ATOM 602 CD GLU A 41 15.404 11.673 -0.978 1.00 24.22 C ATOM 603 OE1 GLU A 41 14.209 11.692 -1.340 1.00 2.22 O ATOM 604 OE2 GLU A 41 15.829 12.294 0.019 1.00 75.20 O ATOM 0 H GLU A 41 18.370 8.121 -1.944 1.00 0.30 H new ATOM 0 HA GLU A 41 17.239 9.577 0.291 1.00 2.33 H new ATOM 0 HB2 GLU A 41 16.471 8.842 -2.510 1.00 61.23 H new ATOM 0 HB3 GLU A 41 15.165 9.148 -1.382 1.00 61.23 H new ATOM 0 HG2 GLU A 41 17.405 11.139 -1.516 1.00 50.32 H new ATOM 0 HG3 GLU A 41 16.266 11.089 -2.847 1.00 50.32 H new ATOM 611 N LEU A 42 16.464 6.447 -0.324 1.00 13.32 N ATOM 612 CA LEU A 42 15.808 5.266 0.227 1.00 4.22 C ATOM 613 C LEU A 42 16.511 4.796 1.497 1.00 12.30 C ATOM 614 O LEU A 42 15.887 4.212 2.382 1.00 13.23 O ATOM 615 CB LEU A 42 15.792 4.139 -0.807 1.00 14.01 C ATOM 616 CG LEU A 42 15.129 4.466 -2.146 1.00 2.24 C ATOM 617 CD1 LEU A 42 15.761 3.655 -3.266 1.00 72.11 C ATOM 618 CD2 LEU A 42 13.631 4.208 -2.077 1.00 21.24 C ATOM 0 H LEU A 42 17.025 6.268 -1.157 1.00 13.32 H new ATOM 0 HA LEU A 42 14.782 5.534 0.479 1.00 4.22 H new ATOM 0 HB2 LEU A 42 16.821 3.834 -0.999 1.00 14.01 H new ATOM 0 HB3 LEU A 42 15.281 3.280 -0.371 1.00 14.01 H new ATOM 0 HG LEU A 42 15.285 5.524 -2.358 1.00 2.24 H new ATOM 0 HD11 LEU A 42 15.277 3.901 -4.211 1.00 72.11 H new ATOM 0 HD12 LEU A 42 16.823 3.890 -3.331 1.00 72.11 H new ATOM 0 HD13 LEU A 42 15.637 2.592 -3.060 1.00 72.11 H new ATOM 0 HD21 LEU A 42 13.176 4.446 -3.038 1.00 21.24 H new ATOM 0 HD22 LEU A 42 13.453 3.159 -1.841 1.00 21.24 H new ATOM 0 HD23 LEU A 42 13.189 4.834 -1.302 1.00 21.24 H new ATOM 630 N GLN A 43 17.811 5.057 1.579 1.00 44.41 N ATOM 631 CA GLN A 43 18.598 4.662 2.741 1.00 13.25 C ATOM 632 C GLN A 43 18.259 5.531 3.948 1.00 23.04 C ATOM 633 O GLN A 43 18.498 5.143 5.091 1.00 30.54 O ATOM 634 CB GLN A 43 20.092 4.761 2.430 1.00 21.33 C ATOM 635 CG GLN A 43 20.646 6.172 2.545 1.00 31.35 C ATOM 636 CD GLN A 43 21.438 6.386 3.820 1.00 30.43 C ATOM 637 OE1 GLN A 43 21.269 5.658 4.799 1.00 21.12 O ATOM 638 NE2 GLN A 43 22.309 7.388 3.815 1.00 21.32 N ATOM 0 H GLN A 43 18.342 5.540 0.855 1.00 44.41 H new ATOM 0 HA GLN A 43 18.352 3.627 2.980 1.00 13.25 H new ATOM 0 HB2 GLN A 43 20.640 4.108 3.109 1.00 21.33 H new ATOM 0 HB3 GLN A 43 20.270 4.391 1.420 1.00 21.33 H new ATOM 0 HG2 GLN A 43 21.285 6.379 1.686 1.00 31.35 H new ATOM 0 HG3 GLN A 43 19.823 6.886 2.509 1.00 31.35 H new ATOM 0 HE21 GLN A 43 22.417 7.966 2.982 1.00 21.32 H new ATOM 0 HE22 GLN A 43 22.871 7.580 4.645 1.00 21.32 H new ATOM 647 N ALA A 44 17.702 6.709 3.686 1.00 64.20 N ATOM 648 CA ALA A 44 17.330 7.632 4.751 1.00 73.23 C ATOM 649 C ALA A 44 16.127 7.113 5.531 1.00 21.45 C ATOM 650 O ALA A 44 15.987 7.380 6.725 1.00 11.30 O ATOM 651 CB ALA A 44 17.034 9.009 4.176 1.00 75.03 C ATOM 0 H ALA A 44 17.499 7.046 2.745 1.00 64.20 H new ATOM 0 HA ALA A 44 18.171 7.711 5.440 1.00 73.23 H new ATOM 0 HB1 ALA A 44 16.757 9.688 4.982 1.00 75.03 H new ATOM 0 HB2 ALA A 44 17.920 9.390 3.669 1.00 75.03 H new ATOM 0 HB3 ALA A 44 16.212 8.937 3.464 1.00 75.03 H new ATOM 657 N TYR A 45 15.262 6.370 4.850 1.00 34.25 N ATOM 658 CA TYR A 45 14.069 5.816 5.480 1.00 71.31 C ATOM 659 C TYR A 45 14.427 5.061 6.756 1.00 21.05 C ATOM 660 O TYR A 45 13.961 5.400 7.844 1.00 21.05 O ATOM 661 CB TYR A 45 13.341 4.883 4.510 1.00 2.20 C ATOM 662 CG TYR A 45 12.605 5.611 3.408 1.00 62.22 C ATOM 663 CD1 TYR A 45 11.750 6.668 3.697 1.00 63.54 C ATOM 664 CD2 TYR A 45 12.764 5.241 2.078 1.00 54.21 C ATOM 665 CE1 TYR A 45 11.075 7.335 2.693 1.00 61.10 C ATOM 666 CE2 TYR A 45 12.094 5.904 1.068 1.00 73.23 C ATOM 667 CZ TYR A 45 11.250 6.950 1.380 1.00 25.32 C ATOM 668 OH TYR A 45 10.580 7.611 0.377 1.00 42.31 O ATOM 0 H TYR A 45 15.364 6.137 3.862 1.00 34.25 H new ATOM 0 HA TYR A 45 13.410 6.644 5.742 1.00 71.31 H new ATOM 0 HB2 TYR A 45 14.064 4.201 4.063 1.00 2.20 H new ATOM 0 HB3 TYR A 45 12.631 4.274 5.069 1.00 2.20 H new ATOM 0 HD1 TYR A 45 11.611 6.973 4.724 1.00 63.54 H new ATOM 0 HD2 TYR A 45 13.422 4.422 1.830 1.00 54.21 H new ATOM 0 HE1 TYR A 45 10.414 8.154 2.935 1.00 61.10 H new ATOM 0 HE2 TYR A 45 12.230 5.605 0.039 1.00 73.23 H new ATOM 0 HH TYR A 45 10.815 7.216 -0.489 1.00 42.31 H new ATOM 678 N LYS A 46 15.260 4.035 6.615 1.00 14.04 N ATOM 679 CA LYS A 46 15.684 3.231 7.755 1.00 1.24 C ATOM 680 C LYS A 46 14.495 2.519 8.392 1.00 11.32 C ATOM 681 O LYS A 46 14.144 2.783 9.542 1.00 63.54 O ATOM 682 CB LYS A 46 16.381 4.112 8.795 1.00 65.41 C ATOM 683 CG LYS A 46 17.467 4.998 8.211 1.00 44.52 C ATOM 684 CD LYS A 46 18.784 4.827 8.949 1.00 44.11 C ATOM 685 CE LYS A 46 19.969 5.189 8.066 1.00 22.23 C ATOM 686 NZ LYS A 46 20.942 6.066 8.775 1.00 15.01 N ATOM 0 H LYS A 46 15.655 3.741 5.722 1.00 14.04 H new ATOM 0 HA LYS A 46 16.385 2.478 7.396 1.00 1.24 H new ATOM 0 HB2 LYS A 46 15.636 4.739 9.285 1.00 65.41 H new ATOM 0 HB3 LYS A 46 16.818 3.475 9.564 1.00 65.41 H new ATOM 0 HG2 LYS A 46 17.606 4.758 7.157 1.00 44.52 H new ATOM 0 HG3 LYS A 46 17.153 6.041 8.262 1.00 44.52 H new ATOM 0 HD2 LYS A 46 18.787 5.455 9.840 1.00 44.11 H new ATOM 0 HD3 LYS A 46 18.882 3.795 9.286 1.00 44.11 H new ATOM 0 HE2 LYS A 46 20.471 4.278 7.741 1.00 22.23 H new ATOM 0 HE3 LYS A 46 19.612 5.694 7.168 1.00 22.23 H new ATOM 0 HZ1 LYS A 46 21.734 6.290 8.140 1.00 15.01 H new ATOM 0 HZ2 LYS A 46 20.470 6.947 9.063 1.00 15.01 H new ATOM 0 HZ3 LYS A 46 21.302 5.575 9.618 1.00 15.01 H new ATOM 700 N GLY A 47 13.879 1.615 7.637 1.00 33.43 N ATOM 701 CA GLY A 47 12.736 0.878 8.146 1.00 64.01 C ATOM 702 C GLY A 47 13.136 -0.422 8.815 1.00 61.34 C ATOM 703 O GLY A 47 14.283 -0.588 9.231 1.00 33.44 O ATOM 0 H GLY A 47 14.150 1.379 6.682 1.00 33.43 H new ATOM 0 HA2 GLY A 47 12.196 1.499 8.860 1.00 64.01 H new ATOM 0 HA3 GLY A 47 12.050 0.665 7.326 1.00 64.01 H new ATOM 707 N LYS A 48 12.188 -1.348 8.920 1.00 43.53 N ATOM 708 CA LYS A 48 12.446 -2.640 9.543 1.00 71.21 C ATOM 709 C LYS A 48 13.329 -3.507 8.652 1.00 65.41 C ATOM 710 O LYS A 48 12.841 -4.390 7.948 1.00 62.13 O ATOM 711 CB LYS A 48 11.128 -3.363 9.830 1.00 11.23 C ATOM 712 CG LYS A 48 10.220 -2.613 10.790 1.00 71.11 C ATOM 713 CD LYS A 48 9.073 -3.487 11.270 1.00 41.31 C ATOM 714 CE LYS A 48 7.779 -2.695 11.384 1.00 24.01 C ATOM 715 NZ LYS A 48 6.969 -3.123 12.558 1.00 2.31 N ATOM 0 H LYS A 48 11.234 -1.227 8.581 1.00 43.53 H new ATOM 0 HA LYS A 48 12.969 -2.464 10.483 1.00 71.21 H new ATOM 0 HB2 LYS A 48 10.598 -3.522 8.891 1.00 11.23 H new ATOM 0 HB3 LYS A 48 11.346 -4.348 10.243 1.00 11.23 H new ATOM 0 HG2 LYS A 48 10.800 -2.269 11.647 1.00 71.11 H new ATOM 0 HG3 LYS A 48 9.821 -1.726 10.298 1.00 71.11 H new ATOM 0 HD2 LYS A 48 8.933 -4.318 10.578 1.00 41.31 H new ATOM 0 HD3 LYS A 48 9.324 -3.918 12.239 1.00 41.31 H new ATOM 0 HE2 LYS A 48 8.009 -1.633 11.469 1.00 24.01 H new ATOM 0 HE3 LYS A 48 7.194 -2.822 10.473 1.00 24.01 H new ATOM 0 HZ1 LYS A 48 6.096 -2.560 12.601 1.00 2.31 H new ATOM 0 HZ2 LYS A 48 6.727 -4.130 12.464 1.00 2.31 H new ATOM 0 HZ3 LYS A 48 7.518 -2.978 13.430 1.00 2.31 H new ATOM 729 N GLY A 49 14.634 -3.250 8.689 1.00 34.41 N ATOM 730 CA GLY A 49 15.564 -4.017 7.881 1.00 21.14 C ATOM 731 C GLY A 49 15.661 -3.500 6.460 1.00 53.11 C ATOM 732 O GLY A 49 16.470 -3.984 5.670 1.00 70.11 O ATOM 0 H GLY A 49 15.063 -2.525 9.264 1.00 34.41 H new ATOM 0 HA2 GLY A 49 16.551 -3.988 8.343 1.00 21.14 H new ATOM 0 HA3 GLY A 49 15.250 -5.061 7.864 1.00 21.14 H new ATOM 736 N ASN A 50 14.832 -2.514 6.133 1.00 55.01 N ATOM 737 CA ASN A 50 14.826 -1.932 4.796 1.00 75.24 C ATOM 738 C ASN A 50 14.726 -3.019 3.730 1.00 72.31 C ATOM 739 O ASN A 50 15.619 -3.194 2.901 1.00 72.25 O ATOM 740 CB ASN A 50 16.090 -1.099 4.574 1.00 75.14 C ATOM 741 CG ASN A 50 16.118 0.149 5.435 1.00 24.51 C ATOM 742 OD1 ASN A 50 15.942 0.081 6.652 1.00 73.44 O ATOM 743 ND2 ASN A 50 16.342 1.297 4.806 1.00 31.42 N ATOM 0 H ASN A 50 14.156 -2.101 6.776 1.00 55.01 H new ATOM 0 HA ASN A 50 13.953 -1.285 4.713 1.00 75.24 H new ATOM 0 HB2 ASN A 50 16.967 -1.708 4.793 1.00 75.14 H new ATOM 0 HB3 ASN A 50 16.155 -0.814 3.524 1.00 75.14 H new ATOM 0 HD21 ASN A 50 16.374 2.170 5.333 1.00 31.42 H new ATOM 0 HD22 ASN A 50 16.482 1.306 3.796 1.00 31.42 H new ATOM 750 N PRO A 51 13.613 -3.768 3.751 1.00 40.14 N ATOM 751 CA PRO A 51 13.369 -4.850 2.792 1.00 30.14 C ATOM 752 C PRO A 51 13.110 -4.329 1.383 1.00 13.10 C ATOM 753 O PRO A 51 13.711 -4.799 0.418 1.00 44.41 O ATOM 754 CB PRO A 51 12.119 -5.539 3.346 1.00 22.01 C ATOM 755 CG PRO A 51 11.423 -4.484 4.135 1.00 24.21 C ATOM 756 CD PRO A 51 12.507 -3.615 4.711 1.00 61.12 C ATOM 0 HA PRO A 51 14.230 -5.511 2.696 1.00 30.14 H new ATOM 0 HB2 PRO A 51 11.486 -5.915 2.543 1.00 22.01 H new ATOM 0 HB3 PRO A 51 12.382 -6.392 3.971 1.00 22.01 H new ATOM 0 HG2 PRO A 51 10.752 -3.903 3.503 1.00 24.21 H new ATOM 0 HG3 PRO A 51 10.815 -4.925 4.925 1.00 24.21 H new ATOM 0 HD2 PRO A 51 12.188 -2.576 4.794 1.00 61.12 H new ATOM 0 HD3 PRO A 51 12.795 -3.941 5.711 1.00 61.12 H new ATOM 764 N GLU A 52 12.211 -3.356 1.273 1.00 51.32 N ATOM 765 CA GLU A 52 11.873 -2.772 -0.020 1.00 11.21 C ATOM 766 C GLU A 52 13.095 -2.119 -0.658 1.00 44.43 C ATOM 767 O GLU A 52 13.168 -1.970 -1.878 1.00 70.22 O ATOM 768 CB GLU A 52 10.754 -1.740 0.138 1.00 21.05 C ATOM 769 CG GLU A 52 11.004 -0.737 1.252 1.00 22.01 C ATOM 770 CD GLU A 52 10.028 0.423 1.222 1.00 4.32 C ATOM 771 OE1 GLU A 52 9.067 0.369 0.427 1.00 32.40 O ATOM 772 OE2 GLU A 52 10.226 1.386 1.993 1.00 61.50 O ATOM 0 H GLU A 52 11.704 -2.956 2.063 1.00 51.32 H new ATOM 0 HA GLU A 52 11.528 -3.574 -0.673 1.00 11.21 H new ATOM 0 HB2 GLU A 52 10.631 -1.203 -0.802 1.00 21.05 H new ATOM 0 HB3 GLU A 52 9.816 -2.260 0.333 1.00 21.05 H new ATOM 0 HG2 GLU A 52 10.932 -1.243 2.215 1.00 22.01 H new ATOM 0 HG3 GLU A 52 12.021 -0.354 1.169 1.00 22.01 H new ATOM 779 N VAL A 53 14.054 -1.729 0.176 1.00 64.31 N ATOM 780 CA VAL A 53 15.274 -1.092 -0.306 1.00 23.54 C ATOM 781 C VAL A 53 16.186 -2.102 -0.994 1.00 41.45 C ATOM 782 O VAL A 53 17.058 -1.730 -1.779 1.00 50.01 O ATOM 783 CB VAL A 53 16.048 -0.420 0.844 1.00 14.40 C ATOM 784 CG1 VAL A 53 17.307 0.253 0.319 1.00 54.30 C ATOM 785 CG2 VAL A 53 15.160 0.582 1.568 1.00 23.30 C ATOM 0 H VAL A 53 14.010 -1.843 1.189 1.00 64.31 H new ATOM 0 HA VAL A 53 14.971 -0.331 -1.025 1.00 23.54 H new ATOM 0 HB VAL A 53 16.347 -1.189 1.557 1.00 14.40 H new ATOM 0 HG11 VAL A 53 17.840 0.722 1.146 1.00 54.30 H new ATOM 0 HG12 VAL A 53 17.949 -0.492 -0.151 1.00 54.30 H new ATOM 0 HG13 VAL A 53 17.035 1.012 -0.415 1.00 54.30 H new ATOM 0 HG21 VAL A 53 15.722 1.048 2.378 1.00 23.30 H new ATOM 0 HG22 VAL A 53 14.830 1.349 0.867 1.00 23.30 H new ATOM 0 HG23 VAL A 53 14.291 0.068 1.979 1.00 23.30 H new ATOM 795 N GLU A 54 15.977 -3.380 -0.695 1.00 65.14 N ATOM 796 CA GLU A 54 16.782 -4.443 -1.286 1.00 73.14 C ATOM 797 C GLU A 54 16.670 -4.428 -2.808 1.00 51.13 C ATOM 798 O GLU A 54 17.647 -4.670 -3.515 1.00 64.44 O ATOM 799 CB GLU A 54 16.343 -5.806 -0.745 1.00 41.45 C ATOM 800 CG GLU A 54 15.151 -6.397 -1.479 1.00 42.22 C ATOM 801 CD GLU A 54 14.515 -7.549 -0.726 1.00 63.10 C ATOM 802 OE1 GLU A 54 14.248 -7.391 0.484 1.00 52.44 O ATOM 803 OE2 GLU A 54 14.286 -8.609 -1.345 1.00 54.43 O ATOM 0 H GLU A 54 15.258 -3.704 -0.048 1.00 65.14 H new ATOM 0 HA GLU A 54 17.823 -4.270 -1.014 1.00 73.14 H new ATOM 0 HB2 GLU A 54 17.180 -6.501 -0.811 1.00 41.45 H new ATOM 0 HB3 GLU A 54 16.095 -5.705 0.312 1.00 41.45 H new ATOM 0 HG2 GLU A 54 14.406 -5.618 -1.641 1.00 42.22 H new ATOM 0 HG3 GLU A 54 15.469 -6.742 -2.463 1.00 42.22 H new ATOM 810 N ALA A 55 15.471 -4.142 -3.305 1.00 12.23 N ATOM 811 CA ALA A 55 15.231 -4.093 -4.742 1.00 34.44 C ATOM 812 C ALA A 55 15.883 -2.865 -5.366 1.00 41.22 C ATOM 813 O ALA A 55 16.683 -2.979 -6.296 1.00 1.12 O ATOM 814 CB ALA A 55 13.736 -4.103 -5.027 1.00 42.45 C ATOM 0 H ALA A 55 14.651 -3.941 -2.733 1.00 12.23 H new ATOM 0 HA ALA A 55 15.682 -4.978 -5.192 1.00 34.44 H new ATOM 0 HB1 ALA A 55 13.571 -4.066 -6.104 1.00 42.45 H new ATOM 0 HB2 ALA A 55 13.295 -5.014 -4.623 1.00 42.45 H new ATOM 0 HB3 ALA A 55 13.270 -3.236 -4.558 1.00 42.45 H new ATOM 820 N LEU A 56 15.537 -1.690 -4.851 1.00 34.41 N ATOM 821 CA LEU A 56 16.089 -0.439 -5.359 1.00 34.22 C ATOM 822 C LEU A 56 17.612 -0.443 -5.277 1.00 13.11 C ATOM 823 O LEU A 56 18.293 0.050 -6.177 1.00 33.55 O ATOM 824 CB LEU A 56 15.527 0.746 -4.571 1.00 70.22 C ATOM 825 CG LEU A 56 14.010 0.765 -4.378 1.00 23.11 C ATOM 826 CD1 LEU A 56 13.659 1.131 -2.944 1.00 64.41 C ATOM 827 CD2 LEU A 56 13.361 1.737 -5.352 1.00 73.23 C ATOM 0 H LEU A 56 14.877 -1.578 -4.082 1.00 34.41 H new ATOM 0 HA LEU A 56 15.800 -0.341 -6.406 1.00 34.22 H new ATOM 0 HB2 LEU A 56 15.998 0.759 -3.588 1.00 70.22 H new ATOM 0 HB3 LEU A 56 15.820 1.665 -5.078 1.00 70.22 H new ATOM 0 HG LEU A 56 13.624 -0.234 -4.581 1.00 23.11 H new ATOM 0 HD11 LEU A 56 12.575 1.140 -2.825 1.00 64.41 H new ATOM 0 HD12 LEU A 56 14.093 0.397 -2.265 1.00 64.41 H new ATOM 0 HD13 LEU A 56 14.057 2.119 -2.713 1.00 64.41 H new ATOM 0 HD21 LEU A 56 12.282 1.738 -5.201 1.00 73.23 H new ATOM 0 HD22 LEU A 56 13.752 2.740 -5.180 1.00 73.23 H new ATOM 0 HD23 LEU A 56 13.584 1.431 -6.374 1.00 73.23 H new ATOM 839 N ARG A 57 18.139 -1.003 -4.194 1.00 25.34 N ATOM 840 CA ARG A 57 19.582 -1.072 -3.995 1.00 21.22 C ATOM 841 C ARG A 57 20.228 -2.003 -5.017 1.00 51.11 C ATOM 842 O ARG A 57 21.268 -1.684 -5.594 1.00 54.42 O ATOM 843 CB ARG A 57 19.901 -1.554 -2.578 1.00 52.41 C ATOM 844 CG ARG A 57 21.381 -1.802 -2.338 1.00 31.41 C ATOM 845 CD ARG A 57 21.754 -3.251 -2.613 1.00 1.33 C ATOM 846 NE ARG A 57 22.991 -3.361 -3.382 1.00 54.31 N ATOM 847 CZ ARG A 57 23.620 -4.510 -3.601 1.00 2.32 C ATOM 848 NH1 ARG A 57 23.132 -5.641 -3.111 1.00 54.13 N ATOM 849 NH2 ARG A 57 24.741 -4.529 -4.311 1.00 51.20 N ATOM 0 H ARG A 57 17.589 -1.416 -3.441 1.00 25.34 H new ATOM 0 HA ARG A 57 19.990 -0.071 -4.132 1.00 21.22 H new ATOM 0 HB2 ARG A 57 19.545 -0.813 -1.862 1.00 52.41 H new ATOM 0 HB3 ARG A 57 19.351 -2.475 -2.384 1.00 52.41 H new ATOM 0 HG2 ARG A 57 21.970 -1.146 -2.979 1.00 31.41 H new ATOM 0 HG3 ARG A 57 21.631 -1.550 -1.307 1.00 31.41 H new ATOM 0 HD2 ARG A 57 21.866 -3.782 -1.668 1.00 1.33 H new ATOM 0 HD3 ARG A 57 20.944 -3.737 -3.157 1.00 1.33 H new ATOM 0 HE ARG A 57 23.394 -2.509 -3.772 1.00 54.31 H new ATOM 0 HH11 ARG A 57 22.271 -5.630 -2.564 1.00 54.13 H new ATOM 0 HH12 ARG A 57 23.617 -6.522 -3.281 1.00 54.13 H new ATOM 0 HH21 ARG A 57 25.120 -3.661 -4.689 1.00 51.20 H new ATOM 0 HH22 ARG A 57 25.224 -5.412 -4.479 1.00 51.20 H new ATOM 863 N LYS A 58 19.605 -3.156 -5.236 1.00 62.00 N ATOM 864 CA LYS A 58 20.117 -4.134 -6.189 1.00 3.14 C ATOM 865 C LYS A 58 20.133 -3.560 -7.602 1.00 23.11 C ATOM 866 O LYS A 58 21.184 -3.481 -8.237 1.00 62.50 O ATOM 867 CB LYS A 58 19.267 -5.406 -6.153 1.00 15.54 C ATOM 868 CG LYS A 58 19.917 -6.551 -5.397 1.00 33.24 C ATOM 869 CD LYS A 58 19.854 -7.848 -6.187 1.00 15.35 C ATOM 870 CE LYS A 58 20.762 -7.802 -7.406 1.00 21.55 C ATOM 871 NZ LYS A 58 21.697 -8.961 -7.444 1.00 33.11 N ATOM 0 H LYS A 58 18.744 -3.436 -4.766 1.00 62.00 H new ATOM 0 HA LYS A 58 21.140 -4.380 -5.904 1.00 3.14 H new ATOM 0 HB2 LYS A 58 18.306 -5.177 -5.693 1.00 15.54 H new ATOM 0 HB3 LYS A 58 19.063 -5.726 -7.175 1.00 15.54 H new ATOM 0 HG2 LYS A 58 20.957 -6.304 -5.184 1.00 33.24 H new ATOM 0 HG3 LYS A 58 19.418 -6.684 -4.437 1.00 33.24 H new ATOM 0 HD2 LYS A 58 20.145 -8.680 -5.546 1.00 15.35 H new ATOM 0 HD3 LYS A 58 18.827 -8.033 -6.503 1.00 15.35 H new ATOM 0 HE2 LYS A 58 20.155 -7.795 -8.311 1.00 21.55 H new ATOM 0 HE3 LYS A 58 21.334 -6.874 -7.398 1.00 21.55 H new ATOM 0 HZ1 LYS A 58 22.299 -8.894 -8.289 1.00 33.11 H new ATOM 0 HZ2 LYS A 58 22.294 -8.954 -6.592 1.00 33.11 H new ATOM 0 HZ3 LYS A 58 21.152 -9.846 -7.477 1.00 33.11 H new ATOM 885 N GLU A 59 18.962 -3.160 -8.087 1.00 11.35 N ATOM 886 CA GLU A 59 18.843 -2.593 -9.425 1.00 3.44 C ATOM 887 C GLU A 59 19.792 -1.411 -9.601 1.00 3.43 C ATOM 888 O GLU A 59 20.561 -1.356 -10.560 1.00 53.43 O ATOM 889 CB GLU A 59 17.403 -2.148 -9.688 1.00 61.14 C ATOM 890 CG GLU A 59 16.394 -3.282 -9.620 1.00 50.11 C ATOM 891 CD GLU A 59 16.324 -4.079 -10.908 1.00 61.11 C ATOM 892 OE1 GLU A 59 17.376 -4.590 -11.347 1.00 1.41 O ATOM 893 OE2 GLU A 59 15.218 -4.192 -11.477 1.00 65.33 O ATOM 0 H GLU A 59 18.083 -3.218 -7.574 1.00 11.35 H new ATOM 0 HA GLU A 59 19.114 -3.365 -10.145 1.00 3.44 H new ATOM 0 HB2 GLU A 59 17.129 -1.385 -8.960 1.00 61.14 H new ATOM 0 HB3 GLU A 59 17.349 -1.683 -10.673 1.00 61.14 H new ATOM 0 HG2 GLU A 59 16.657 -3.949 -8.799 1.00 50.11 H new ATOM 0 HG3 GLU A 59 15.409 -2.874 -9.396 1.00 50.11 H new ATOM 900 N ALA A 60 19.732 -0.467 -8.667 1.00 52.31 N ATOM 901 CA ALA A 60 20.586 0.713 -8.718 1.00 11.45 C ATOM 902 C ALA A 60 22.049 0.325 -8.904 1.00 33.22 C ATOM 903 O ALA A 60 22.721 0.818 -9.809 1.00 3.14 O ATOM 904 CB ALA A 60 20.415 1.543 -7.454 1.00 21.15 C ATOM 0 H ALA A 60 19.101 -0.497 -7.866 1.00 52.31 H new ATOM 0 HA ALA A 60 20.284 1.312 -9.577 1.00 11.45 H new ATOM 0 HB1 ALA A 60 21.059 2.421 -7.506 1.00 21.15 H new ATOM 0 HB2 ALA A 60 19.376 1.859 -7.364 1.00 21.15 H new ATOM 0 HB3 ALA A 60 20.688 0.944 -6.585 1.00 21.15 H new ATOM 910 N ALA A 61 22.535 -0.562 -8.041 1.00 41.35 N ATOM 911 CA ALA A 61 23.918 -1.017 -8.112 1.00 71.13 C ATOM 912 C ALA A 61 24.245 -1.566 -9.497 1.00 33.52 C ATOM 913 O ALA A 61 25.293 -1.262 -10.064 1.00 42.52 O ATOM 914 CB ALA A 61 24.181 -2.072 -7.048 1.00 64.00 C ATOM 0 H ALA A 61 21.992 -0.979 -7.285 1.00 41.35 H new ATOM 0 HA ALA A 61 24.567 -0.161 -7.927 1.00 71.13 H new ATOM 0 HB1 ALA A 61 25.218 -2.403 -7.112 1.00 64.00 H new ATOM 0 HB2 ALA A 61 23.996 -1.648 -6.061 1.00 64.00 H new ATOM 0 HB3 ALA A 61 23.518 -2.922 -7.207 1.00 64.00 H new ATOM 920 N ALA A 62 23.341 -2.379 -10.035 1.00 14.54 N ATOM 921 CA ALA A 62 23.533 -2.969 -11.353 1.00 73.22 C ATOM 922 C ALA A 62 23.677 -1.891 -12.422 1.00 25.20 C ATOM 923 O ALA A 62 24.555 -1.971 -13.282 1.00 50.22 O ATOM 924 CB ALA A 62 22.374 -3.897 -11.690 1.00 4.31 C ATOM 0 H ALA A 62 22.469 -2.644 -9.578 1.00 14.54 H new ATOM 0 HA ALA A 62 24.455 -3.549 -11.333 1.00 73.22 H new ATOM 0 HB1 ALA A 62 22.531 -4.331 -12.678 1.00 4.31 H new ATOM 0 HB2 ALA A 62 22.318 -4.694 -10.948 1.00 4.31 H new ATOM 0 HB3 ALA A 62 21.442 -3.332 -11.686 1.00 4.31 H new ATOM 930 N ILE A 63 22.812 -0.885 -12.362 1.00 75.20 N ATOM 931 CA ILE A 63 22.844 0.209 -13.325 1.00 22.41 C ATOM 932 C ILE A 63 24.179 0.944 -13.277 1.00 22.04 C ATOM 933 O ILE A 63 24.771 1.246 -14.313 1.00 31.00 O ATOM 934 CB ILE A 63 21.707 1.216 -13.072 1.00 33.42 C ATOM 935 CG1 ILE A 63 20.347 0.532 -13.229 1.00 12.22 C ATOM 936 CG2 ILE A 63 21.824 2.398 -14.022 1.00 65.44 C ATOM 937 CD1 ILE A 63 19.181 1.406 -12.821 1.00 30.50 C ATOM 0 H ILE A 63 22.080 -0.804 -11.656 1.00 75.20 H new ATOM 0 HA ILE A 63 22.711 -0.235 -14.311 1.00 22.41 H new ATOM 0 HB ILE A 63 21.791 1.587 -12.051 1.00 33.42 H new ATOM 0 HG12 ILE A 63 20.219 0.231 -14.269 1.00 12.22 H new ATOM 0 HG13 ILE A 63 20.336 -0.378 -12.630 1.00 12.22 H new ATOM 0 HG21 ILE A 63 21.013 3.101 -13.830 1.00 65.44 H new ATOM 0 HG22 ILE A 63 22.781 2.897 -13.866 1.00 65.44 H new ATOM 0 HG23 ILE A 63 21.762 2.045 -15.051 1.00 65.44 H new ATOM 0 HD11 ILE A 63 18.249 0.857 -12.958 1.00 30.50 H new ATOM 0 HD12 ILE A 63 19.286 1.686 -11.773 1.00 30.50 H new ATOM 0 HD13 ILE A 63 19.167 2.305 -13.437 1.00 30.50 H new ATOM 949 N ARG A 64 24.649 1.228 -12.066 1.00 73.41 N ATOM 950 CA ARG A 64 25.915 1.927 -11.882 1.00 54.02 C ATOM 951 C ARG A 64 27.070 1.126 -12.476 1.00 34.23 C ATOM 952 O ARG A 64 27.925 1.673 -13.172 1.00 0.24 O ATOM 953 CB ARG A 64 26.169 2.184 -10.396 1.00 34.34 C ATOM 954 CG ARG A 64 27.018 3.415 -10.127 1.00 23.14 C ATOM 955 CD ARG A 64 27.854 3.251 -8.867 1.00 31.33 C ATOM 956 NE ARG A 64 27.404 4.132 -7.793 1.00 33.13 N ATOM 957 CZ ARG A 64 27.653 5.436 -7.759 1.00 53.32 C ATOM 958 NH1 ARG A 64 28.344 6.008 -8.735 1.00 61.25 N ATOM 959 NH2 ARG A 64 27.209 6.172 -6.748 1.00 22.12 N ATOM 0 H ARG A 64 24.172 0.985 -11.198 1.00 73.41 H new ATOM 0 HA ARG A 64 25.853 2.882 -12.403 1.00 54.02 H new ATOM 0 HB2 ARG A 64 25.212 2.295 -9.886 1.00 34.34 H new ATOM 0 HB3 ARG A 64 26.661 1.312 -9.964 1.00 34.34 H new ATOM 0 HG2 ARG A 64 27.673 3.599 -10.978 1.00 23.14 H new ATOM 0 HG3 ARG A 64 26.373 4.288 -10.026 1.00 23.14 H new ATOM 0 HD2 ARG A 64 27.804 2.215 -8.531 1.00 31.33 H new ATOM 0 HD3 ARG A 64 28.899 3.462 -9.095 1.00 31.33 H new ATOM 0 HE ARG A 64 26.869 3.723 -7.027 1.00 33.13 H new ATOM 0 HH11 ARG A 64 28.686 5.446 -9.515 1.00 61.25 H new ATOM 0 HH12 ARG A 64 28.534 7.010 -8.706 1.00 61.25 H new ATOM 0 HH21 ARG A 64 26.676 5.736 -5.996 1.00 22.12 H new ATOM 0 HH22 ARG A 64 27.401 7.173 -6.723 1.00 22.12 H new ATOM 973 N ASP A 65 27.088 -0.173 -12.195 1.00 54.42 N ATOM 974 CA ASP A 65 28.137 -1.050 -12.701 1.00 50.34 C ATOM 975 C ASP A 65 28.173 -1.030 -14.226 1.00 71.04 C ATOM 976 O ASP A 65 29.241 -0.939 -14.830 1.00 3.11 O ATOM 977 CB ASP A 65 27.921 -2.479 -12.202 1.00 62.24 C ATOM 978 CG ASP A 65 28.292 -2.645 -10.742 1.00 3.22 C ATOM 979 OD1 ASP A 65 28.028 -1.713 -9.954 1.00 3.03 O ATOM 980 OD2 ASP A 65 28.848 -3.706 -10.387 1.00 13.21 O ATOM 0 H ASP A 65 26.388 -0.641 -11.620 1.00 54.42 H new ATOM 0 HA ASP A 65 29.094 -0.684 -12.328 1.00 50.34 H new ATOM 0 HB2 ASP A 65 26.876 -2.755 -12.342 1.00 62.24 H new ATOM 0 HB3 ASP A 65 28.516 -3.165 -12.805 1.00 62.24 H new ATOM 985 N GLU A 66 26.998 -1.117 -14.842 1.00 70.22 N ATOM 986 CA GLU A 66 26.896 -1.111 -16.297 1.00 24.41 C ATOM 987 C GLU A 66 27.453 0.186 -16.876 1.00 12.31 C ATOM 988 O GLU A 66 28.291 0.167 -17.778 1.00 21.21 O ATOM 989 CB GLU A 66 25.440 -1.293 -16.729 1.00 51.54 C ATOM 990 CG GLU A 66 24.770 -2.511 -16.117 1.00 1.04 C ATOM 991 CD GLU A 66 24.484 -3.595 -17.138 1.00 14.41 C ATOM 992 OE1 GLU A 66 25.422 -3.992 -17.859 1.00 64.13 O ATOM 993 OE2 GLU A 66 23.322 -4.045 -17.216 1.00 55.41 O ATOM 0 H GLU A 66 26.104 -1.192 -14.357 1.00 70.22 H new ATOM 0 HA GLU A 66 27.487 -1.942 -16.681 1.00 24.41 H new ATOM 0 HB2 GLU A 66 24.875 -0.402 -16.455 1.00 51.54 H new ATOM 0 HB3 GLU A 66 25.400 -1.374 -17.815 1.00 51.54 H new ATOM 0 HG2 GLU A 66 25.409 -2.916 -15.332 1.00 1.04 H new ATOM 0 HG3 GLU A 66 23.836 -2.208 -15.644 1.00 1.04 H new ATOM 1000 N CYS A 67 26.980 1.311 -16.352 1.00 10.45 N ATOM 1001 CA CYS A 67 27.428 2.619 -16.817 1.00 4.24 C ATOM 1002 C CYS A 67 28.936 2.771 -16.643 1.00 21.45 C ATOM 1003 O CYS A 67 29.597 3.441 -17.435 1.00 63.42 O ATOM 1004 CB CYS A 67 26.701 3.730 -16.058 1.00 2.31 C ATOM 1005 SG CYS A 67 24.902 3.684 -16.228 1.00 14.52 S ATOM 0 H CYS A 67 26.286 1.344 -15.605 1.00 10.45 H new ATOM 0 HA CYS A 67 27.193 2.700 -17.878 1.00 4.24 H new ATOM 0 HB2 CYS A 67 26.957 3.661 -15.001 1.00 2.31 H new ATOM 0 HB3 CYS A 67 27.064 4.695 -16.412 1.00 2.31 H new ATOM 0 HG CYS A 67 24.421 2.722 -15.497 1.00 14.52 H new ATOM 1011 N GLN A 68 29.472 2.145 -15.599 1.00 71.25 N ATOM 1012 CA GLN A 68 30.901 2.212 -15.320 1.00 44.45 C ATOM 1013 C GLN A 68 31.680 1.272 -16.235 1.00 34.34 C ATOM 1014 O GLN A 68 32.860 1.489 -16.505 1.00 40.55 O ATOM 1015 CB GLN A 68 31.174 1.862 -13.857 1.00 30.52 C ATOM 1016 CG GLN A 68 30.596 2.866 -12.873 1.00 25.13 C ATOM 1017 CD GLN A 68 31.662 3.529 -12.022 1.00 62.23 C ATOM 1018 OE1 GLN A 68 32.480 2.855 -11.395 1.00 44.14 O ATOM 1019 NE2 GLN A 68 31.658 4.856 -11.996 1.00 43.44 N ATOM 0 H GLN A 68 28.938 1.586 -14.933 1.00 71.25 H new ATOM 0 HA GLN A 68 31.235 3.232 -15.510 1.00 44.45 H new ATOM 0 HB2 GLN A 68 30.759 0.877 -13.644 1.00 30.52 H new ATOM 0 HB3 GLN A 68 32.251 1.794 -13.703 1.00 30.52 H new ATOM 0 HG2 GLN A 68 30.046 3.631 -13.421 1.00 25.13 H new ATOM 0 HG3 GLN A 68 29.880 2.362 -12.224 1.00 25.13 H new ATOM 0 HE21 GLN A 68 30.961 5.374 -12.531 1.00 43.44 H new ATOM 0 HE22 GLN A 68 32.352 5.357 -11.441 1.00 43.44 H new ATOM 1028 N ALA A 69 31.010 0.225 -16.707 1.00 0.24 N ATOM 1029 CA ALA A 69 31.638 -0.748 -17.592 1.00 3.24 C ATOM 1030 C ALA A 69 31.497 -0.333 -19.052 1.00 75.32 C ATOM 1031 O ALA A 69 32.014 -0.999 -19.949 1.00 44.45 O ATOM 1032 CB ALA A 69 31.036 -2.128 -17.372 1.00 10.54 C ATOM 0 H ALA A 69 30.033 0.029 -16.491 1.00 0.24 H new ATOM 0 HA ALA A 69 32.701 -0.786 -17.354 1.00 3.24 H new ATOM 0 HB1 ALA A 69 31.515 -2.844 -18.040 1.00 10.54 H new ATOM 0 HB2 ALA A 69 31.195 -2.434 -16.338 1.00 10.54 H new ATOM 0 HB3 ALA A 69 29.967 -2.096 -17.581 1.00 10.54 H new ATOM 1038 N TYR A 70 30.792 0.769 -19.284 1.00 33.43 N ATOM 1039 CA TYR A 70 30.579 1.270 -20.636 1.00 62.24 C ATOM 1040 C TYR A 70 31.301 2.598 -20.845 1.00 35.12 C ATOM 1041 O TYR A 70 30.972 3.360 -21.754 1.00 74.43 O ATOM 1042 CB TYR A 70 29.084 1.440 -20.911 1.00 0.24 C ATOM 1043 CG TYR A 70 28.307 0.145 -20.855 1.00 33.51 C ATOM 1044 CD1 TYR A 70 28.852 -1.037 -21.343 1.00 54.35 C ATOM 1045 CD2 TYR A 70 27.027 0.101 -20.315 1.00 3.40 C ATOM 1046 CE1 TYR A 70 28.145 -2.223 -21.295 1.00 50.25 C ATOM 1047 CE2 TYR A 70 26.314 -1.080 -20.261 1.00 60.35 C ATOM 1048 CZ TYR A 70 26.877 -2.240 -20.753 1.00 51.41 C ATOM 1049 OH TYR A 70 26.169 -3.419 -20.703 1.00 10.40 O ATOM 0 H TYR A 70 30.358 1.332 -18.553 1.00 33.43 H new ATOM 0 HA TYR A 70 30.989 0.541 -21.335 1.00 62.24 H new ATOM 0 HB2 TYR A 70 28.666 2.136 -20.184 1.00 0.24 H new ATOM 0 HB3 TYR A 70 28.953 1.890 -21.895 1.00 0.24 H new ATOM 0 HD1 TYR A 70 29.845 -1.028 -21.767 1.00 54.35 H new ATOM 0 HD2 TYR A 70 26.582 1.007 -19.931 1.00 3.40 H new ATOM 0 HE1 TYR A 70 28.583 -3.132 -21.680 1.00 50.25 H new ATOM 0 HE2 TYR A 70 25.321 -1.096 -19.836 1.00 60.35 H new ATOM 0 HH TYR A 70 25.936 -3.621 -19.773 1.00 10.40 H new ATOM 1059 N ARG A 71 32.286 2.868 -19.995 1.00 64.15 N ATOM 1060 CA ARG A 71 33.055 4.103 -20.085 1.00 10.50 C ATOM 1061 C ARG A 71 34.069 4.197 -18.948 1.00 74.22 C ATOM 1062 O ARG A 71 35.193 4.660 -19.141 1.00 40.54 O ATOM 1063 CB ARG A 71 32.120 5.314 -20.050 1.00 4.11 C ATOM 1064 CG ARG A 71 32.218 6.195 -21.285 1.00 75.51 C ATOM 1065 CD ARG A 71 31.096 7.221 -21.327 1.00 60.44 C ATOM 1066 NE ARG A 71 31.591 8.561 -21.629 1.00 65.11 N ATOM 1067 CZ ARG A 71 30.919 9.673 -21.353 1.00 32.52 C ATOM 1068 NH1 ARG A 71 29.729 9.604 -20.771 1.00 43.32 N ATOM 1069 NH2 ARG A 71 31.436 10.856 -21.658 1.00 22.30 N ATOM 0 H ARG A 71 32.570 2.248 -19.236 1.00 64.15 H new ATOM 0 HA ARG A 71 33.596 4.097 -21.031 1.00 10.50 H new ATOM 0 HB2 ARG A 71 31.093 4.966 -19.943 1.00 4.11 H new ATOM 0 HB3 ARG A 71 32.347 5.913 -19.168 1.00 4.11 H new ATOM 0 HG2 ARG A 71 33.181 6.706 -21.293 1.00 75.51 H new ATOM 0 HG3 ARG A 71 32.179 5.574 -22.180 1.00 75.51 H new ATOM 0 HD2 ARG A 71 30.364 6.927 -22.079 1.00 60.44 H new ATOM 0 HD3 ARG A 71 30.580 7.233 -20.367 1.00 60.44 H new ATOM 0 HE ARG A 71 32.503 8.648 -22.077 1.00 65.11 H new ATOM 0 HH11 ARG A 71 29.329 8.696 -20.535 1.00 43.32 H new ATOM 0 HH12 ARG A 71 29.214 10.459 -20.560 1.00 43.32 H new ATOM 0 HH21 ARG A 71 32.351 10.913 -22.105 1.00 22.30 H new ATOM 0 HH22 ARG A 71 30.919 11.709 -21.445 1.00 22.30 H new ATOM 1083 N HIS A 72 33.663 3.754 -17.762 1.00 71.45 N ATOM 1084 CA HIS A 72 34.536 3.787 -16.594 1.00 54.03 C ATOM 1085 C HIS A 72 35.377 2.517 -16.508 1.00 41.33 C ATOM 1086 O HIS A 72 36.021 2.255 -15.493 1.00 53.41 O ATOM 1087 CB HIS A 72 33.709 3.952 -15.319 1.00 2.44 C ATOM 1088 CG HIS A 72 34.394 4.765 -14.263 1.00 35.13 C ATOM 1089 ND1 HIS A 72 34.768 4.248 -13.041 1.00 5.15 N ATOM 1090 CD2 HIS A 72 34.772 6.064 -14.252 1.00 41.42 C ATOM 1091 CE1 HIS A 72 35.346 5.195 -12.323 1.00 64.02 C ATOM 1092 NE2 HIS A 72 35.362 6.307 -13.036 1.00 33.11 N ATOM 0 H HIS A 72 32.736 3.368 -17.585 1.00 71.45 H new ATOM 0 HA HIS A 72 35.207 4.640 -16.696 1.00 54.03 H new ATOM 0 HB2 HIS A 72 32.759 4.424 -15.570 1.00 2.44 H new ATOM 0 HB3 HIS A 72 33.478 2.966 -14.915 1.00 2.44 H new ATOM 0 HD2 HIS A 72 34.635 6.777 -15.051 1.00 41.42 H new ATOM 0 HE1 HIS A 72 35.738 5.079 -11.323 1.00 64.02 H new ATOM 0 HE2 HIS A 72 35.749 7.200 -12.733 1.00 33.11 H new ATOM 1100 N ASN A 73 35.366 1.732 -17.581 1.00 2.13 N ATOM 1101 CA ASN A 73 36.127 0.489 -17.626 1.00 24.15 C ATOM 1102 C ASN A 73 37.170 0.529 -18.739 1.00 1.45 C ATOM 1103 O ASN A 73 38.327 0.877 -18.506 1.00 4.55 O ATOM 1104 CB ASN A 73 35.189 -0.701 -17.834 1.00 35.00 C ATOM 1105 CG ASN A 73 35.933 -1.964 -18.220 1.00 63.42 C ATOM 1106 OD1 ASN A 73 36.040 -2.299 -19.400 1.00 35.50 O ATOM 1107 ND2 ASN A 73 36.453 -2.672 -17.224 1.00 61.42 N ATOM 0 H ASN A 73 34.839 1.935 -18.430 1.00 2.13 H new ATOM 0 HA ASN A 73 36.643 0.374 -16.673 1.00 24.15 H new ATOM 0 HB2 ASN A 73 34.626 -0.880 -16.918 1.00 35.00 H new ATOM 0 HB3 ASN A 73 34.465 -0.457 -18.611 1.00 35.00 H new ATOM 0 HD21 ASN A 73 36.966 -3.531 -17.422 1.00 61.42 H new ATOM 0 HD22 ASN A 73 36.340 -2.357 -16.261 1.00 61.42 H new TER 1114 ASN A 73