USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 613 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 15 THR OG1 : rot -75:sc= 0.671 USER MOD Set 1.2: A 18 GLN : amide:sc= 2.98 K(o=3.7,f=-7.2!) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.0775 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-1) USER MOD Single : A 28 CYS SG : rot -5:sc= 0.609 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.556 K(o=-0.56,f=-0.031) USER MOD Single : A 42 HIS : no HE2:sc= 0.574 K(o=0.57,f=-4.6!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0406 (180deg=-0.269) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.0811 X(o=0.081,f=-0.22) USER MOD Single : A 57 ASN : amide:sc= 0.896 K(o=0.9,f=-0.0034) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.668) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.859) USER MOD Single : A 69 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.626 -12.204 -13.841 1.00 52.24 N ATOM 2 CA GLY A 1 -1.253 -11.919 -13.396 1.00 12.32 C ATOM 3 C GLY A 1 -0.605 -13.191 -12.884 1.00 15.52 C ATOM 4 O GLY A 1 -1.309 -14.029 -12.324 1.00 41.45 O ATOM 0 H1 GLY A 1 -3.232 -11.382 -13.645 1.00 52.24 H new ATOM 0 H2 GLY A 1 -2.626 -12.399 -14.863 1.00 52.24 H new ATOM 0 H3 GLY A 1 -2.991 -13.033 -13.330 1.00 52.24 H new ATOM 0 HA2 GLY A 1 -0.671 -11.510 -14.222 1.00 12.32 H new ATOM 0 HA3 GLY A 1 -1.265 -11.164 -12.610 1.00 12.32 H new ATOM 8 N ALA A 2 0.719 -13.335 -13.036 1.00 12.13 N ATOM 9 CA ALA A 2 1.467 -14.525 -12.618 1.00 54.32 C ATOM 10 C ALA A 2 2.663 -14.122 -11.734 1.00 14.33 C ATOM 11 O ALA A 2 3.813 -14.216 -12.178 1.00 2.21 O ATOM 12 CB ALA A 2 1.880 -15.319 -13.867 1.00 4.40 C ATOM 0 H ALA A 2 1.307 -12.617 -13.459 1.00 12.13 H new ATOM 0 HA ALA A 2 0.842 -15.175 -12.006 1.00 54.32 H new ATOM 0 HB1 ALA A 2 2.437 -16.206 -13.566 1.00 4.40 H new ATOM 0 HB2 ALA A 2 0.989 -15.620 -14.418 1.00 4.40 H new ATOM 0 HB3 ALA A 2 2.507 -14.695 -14.504 1.00 4.40 H new ATOM 18 N PRO A 3 2.421 -13.618 -10.508 1.00 71.13 N ATOM 19 CA PRO A 3 3.465 -13.053 -9.661 1.00 35.31 C ATOM 20 C PRO A 3 4.357 -14.129 -9.037 1.00 21.00 C ATOM 21 O PRO A 3 3.920 -15.252 -8.772 1.00 31.04 O ATOM 22 CB PRO A 3 2.715 -12.267 -8.577 1.00 35.31 C ATOM 23 CG PRO A 3 1.395 -13.028 -8.450 1.00 12.12 C ATOM 24 CD PRO A 3 1.115 -13.442 -9.889 1.00 43.41 C ATOM 0 HA PRO A 3 4.141 -12.424 -10.241 1.00 35.31 H new ATOM 0 HB2 PRO A 3 3.265 -12.253 -7.636 1.00 35.31 H new ATOM 0 HB3 PRO A 3 2.556 -11.229 -8.869 1.00 35.31 H new ATOM 0 HG2 PRO A 3 1.485 -13.890 -7.790 1.00 12.12 H new ATOM 0 HG3 PRO A 3 0.601 -12.399 -8.047 1.00 12.12 H new ATOM 0 HD2 PRO A 3 0.536 -14.365 -9.926 1.00 43.41 H new ATOM 0 HD3 PRO A 3 0.534 -12.681 -10.410 1.00 43.41 H new ATOM 32 N GLY A 4 5.586 -13.743 -8.696 1.00 71.15 N ATOM 33 CA GLY A 4 6.520 -14.507 -7.882 1.00 35.40 C ATOM 34 C GLY A 4 7.125 -13.557 -6.855 1.00 40.25 C ATOM 35 O GLY A 4 6.468 -13.194 -5.872 1.00 74.05 O ATOM 0 H GLY A 4 5.972 -12.847 -8.995 1.00 71.15 H new ATOM 0 HA2 GLY A 4 6.009 -15.332 -7.385 1.00 35.40 H new ATOM 0 HA3 GLY A 4 7.300 -14.945 -8.504 1.00 35.40 H new ATOM 39 N GLY A 5 8.349 -13.101 -7.111 1.00 40.52 N ATOM 40 CA GLY A 5 9.042 -12.114 -6.306 1.00 72.32 C ATOM 41 C GLY A 5 10.535 -12.175 -6.586 1.00 72.13 C ATOM 42 O GLY A 5 11.231 -12.997 -5.988 1.00 60.35 O ATOM 0 H GLY A 5 8.897 -13.421 -7.909 1.00 40.52 H new ATOM 0 HA2 GLY A 5 8.662 -11.117 -6.530 1.00 72.32 H new ATOM 0 HA3 GLY A 5 8.854 -12.297 -5.248 1.00 72.32 H new ATOM 46 N LYS A 6 11.053 -11.291 -7.449 1.00 62.44 N ATOM 47 CA LYS A 6 12.502 -11.086 -7.546 1.00 41.33 C ATOM 48 C LYS A 6 13.073 -10.467 -6.266 1.00 11.14 C ATOM 49 O LYS A 6 14.276 -10.596 -6.024 1.00 12.44 O ATOM 50 CB LYS A 6 12.891 -10.249 -8.777 1.00 3.21 C ATOM 51 CG LYS A 6 12.858 -11.017 -10.112 1.00 75.14 C ATOM 52 CD LYS A 6 13.856 -10.382 -11.097 1.00 61.11 C ATOM 53 CE LYS A 6 13.828 -10.966 -12.515 1.00 60.04 C ATOM 54 NZ LYS A 6 12.806 -10.309 -13.354 1.00 41.13 N ATOM 0 H LYS A 6 10.498 -10.714 -8.081 1.00 62.44 H new ATOM 0 HA LYS A 6 12.945 -12.074 -7.670 1.00 41.33 H new ATOM 0 HB2 LYS A 6 12.217 -9.395 -8.847 1.00 3.21 H new ATOM 0 HB3 LYS A 6 13.895 -9.851 -8.627 1.00 3.21 H new ATOM 0 HG2 LYS A 6 13.111 -12.064 -9.947 1.00 75.14 H new ATOM 0 HG3 LYS A 6 11.852 -10.994 -10.532 1.00 75.14 H new ATOM 0 HD2 LYS A 6 13.654 -9.313 -11.157 1.00 61.11 H new ATOM 0 HD3 LYS A 6 14.862 -10.494 -10.694 1.00 61.11 H new ATOM 0 HE2 LYS A 6 14.808 -10.849 -12.977 1.00 60.04 H new ATOM 0 HE3 LYS A 6 13.625 -12.036 -12.464 1.00 60.04 H new ATOM 0 HZ1 LYS A 6 12.815 -10.729 -14.305 1.00 41.13 H new ATOM 0 HZ2 LYS A 6 11.868 -10.442 -12.926 1.00 41.13 H new ATOM 0 HZ3 LYS A 6 13.014 -9.292 -13.422 1.00 41.13 H new ATOM 68 N SER A 7 12.235 -9.852 -5.428 1.00 75.05 N ATOM 69 CA SER A 7 12.514 -9.564 -4.027 1.00 72.15 C ATOM 70 C SER A 7 11.179 -9.253 -3.345 1.00 41.25 C ATOM 71 O SER A 7 10.616 -8.185 -3.595 1.00 42.35 O ATOM 72 CB SER A 7 13.516 -8.404 -3.883 1.00 34.22 C ATOM 73 OG SER A 7 14.065 -8.381 -2.580 1.00 71.41 O ATOM 0 H SER A 7 11.312 -9.531 -5.721 1.00 75.05 H new ATOM 0 HA SER A 7 12.982 -10.424 -3.548 1.00 72.15 H new ATOM 0 HB2 SER A 7 14.314 -8.512 -4.618 1.00 34.22 H new ATOM 0 HB3 SER A 7 13.017 -7.457 -4.090 1.00 34.22 H new ATOM 0 HG SER A 7 14.701 -7.639 -2.506 1.00 71.41 H new ATOM 79 N ARG A 8 10.616 -10.206 -2.591 1.00 74.14 N ATOM 80 CA ARG A 8 9.687 -9.984 -1.469 1.00 44.35 C ATOM 81 C ARG A 8 8.623 -8.916 -1.764 1.00 40.41 C ATOM 82 O ARG A 8 8.750 -7.787 -1.289 1.00 11.23 O ATOM 83 CB ARG A 8 10.453 -9.727 -0.144 1.00 12.52 C ATOM 84 CG ARG A 8 10.702 -10.997 0.686 1.00 73.12 C ATOM 85 CD ARG A 8 11.842 -11.869 0.159 1.00 71.34 C ATOM 86 NE ARG A 8 11.502 -13.295 0.205 1.00 40.14 N ATOM 87 CZ ARG A 8 12.349 -14.327 0.214 1.00 1.52 C ATOM 88 NH1 ARG A 8 13.654 -14.170 0.433 1.00 33.04 N ATOM 89 NH2 ARG A 8 11.862 -15.533 -0.037 1.00 24.22 N ATOM 0 H ARG A 8 10.802 -11.196 -2.751 1.00 74.14 H new ATOM 0 HA ARG A 8 9.125 -10.909 -1.339 1.00 44.35 H new ATOM 0 HB2 ARG A 8 11.411 -9.261 -0.374 1.00 12.52 H new ATOM 0 HB3 ARG A 8 9.889 -9.015 0.459 1.00 12.52 H new ATOM 0 HG2 ARG A 8 10.923 -10.710 1.714 1.00 73.12 H new ATOM 0 HG3 ARG A 8 9.787 -11.588 0.710 1.00 73.12 H new ATOM 0 HD2 ARG A 8 12.074 -11.583 -0.867 1.00 71.34 H new ATOM 0 HD3 ARG A 8 12.740 -11.690 0.750 1.00 71.34 H new ATOM 0 HE ARG A 8 10.508 -13.524 0.233 1.00 40.14 H new ATOM 0 HH11 ARG A 8 14.035 -13.239 0.601 1.00 33.04 H new ATOM 0 HH12 ARG A 8 14.272 -14.981 0.433 1.00 33.04 H new ATOM 0 HH21 ARG A 8 10.867 -15.651 -0.229 1.00 24.22 H new ATOM 0 HH22 ARG A 8 12.482 -16.343 -0.038 1.00 24.22 H new ATOM 103 N ARG A 9 7.556 -9.245 -2.508 1.00 43.43 N ATOM 104 CA ARG A 9 6.584 -8.234 -2.960 1.00 61.01 C ATOM 105 C ARG A 9 5.171 -8.384 -2.385 1.00 71.04 C ATOM 106 O ARG A 9 4.326 -7.529 -2.639 1.00 72.24 O ATOM 107 CB ARG A 9 6.609 -8.179 -4.499 1.00 62.45 C ATOM 108 CG ARG A 9 6.297 -6.764 -5.019 1.00 73.13 C ATOM 109 CD ARG A 9 6.875 -6.532 -6.418 1.00 72.32 C ATOM 110 NE ARG A 9 5.913 -6.793 -7.500 1.00 1.42 N ATOM 111 CZ ARG A 9 6.071 -6.366 -8.756 1.00 3.41 C ATOM 112 NH1 ARG A 9 7.226 -5.854 -9.164 1.00 64.03 N ATOM 113 NH2 ARG A 9 5.059 -6.437 -9.602 1.00 51.11 N ATOM 0 H ARG A 9 7.344 -10.196 -2.809 1.00 43.43 H new ATOM 0 HA ARG A 9 6.900 -7.274 -2.553 1.00 61.01 H new ATOM 0 HB2 ARG A 9 7.589 -8.492 -4.859 1.00 62.45 H new ATOM 0 HB3 ARG A 9 5.881 -8.884 -4.901 1.00 62.45 H new ATOM 0 HG2 ARG A 9 5.217 -6.615 -5.042 1.00 73.13 H new ATOM 0 HG3 ARG A 9 6.706 -6.025 -4.330 1.00 73.13 H new ATOM 0 HD2 ARG A 9 7.223 -5.502 -6.493 1.00 72.32 H new ATOM 0 HD3 ARG A 9 7.746 -7.173 -6.554 1.00 72.32 H new ATOM 0 HE ARG A 9 5.076 -7.332 -7.278 1.00 1.42 H new ATOM 0 HH11 ARG A 9 8.010 -5.782 -8.515 1.00 64.03 H new ATOM 0 HH12 ARG A 9 7.330 -5.533 -10.126 1.00 64.03 H new ATOM 0 HH21 ARG A 9 4.163 -6.816 -9.295 1.00 51.11 H new ATOM 0 HH22 ARG A 9 5.173 -6.113 -10.562 1.00 51.11 H new ATOM 127 N ARG A 10 4.884 -9.441 -1.620 1.00 53.45 N ATOM 128 CA ARG A 10 3.539 -9.782 -1.151 1.00 43.11 C ATOM 129 C ARG A 10 3.664 -10.318 0.274 1.00 60.01 C ATOM 130 O ARG A 10 3.834 -11.525 0.459 1.00 1.13 O ATOM 131 CB ARG A 10 2.938 -10.781 -2.169 1.00 22.04 C ATOM 132 CG ARG A 10 1.483 -11.205 -1.903 1.00 60.12 C ATOM 133 CD ARG A 10 1.308 -12.496 -1.097 1.00 13.30 C ATOM 134 NE ARG A 10 1.863 -13.694 -1.750 1.00 51.34 N ATOM 135 CZ ARG A 10 1.610 -14.942 -1.328 1.00 41.43 C ATOM 136 NH1 ARG A 10 1.119 -15.155 -0.116 1.00 21.40 N ATOM 137 NH2 ARG A 10 1.841 -15.962 -2.143 1.00 4.33 N ATOM 0 H ARG A 10 5.597 -10.098 -1.303 1.00 53.45 H new ATOM 0 HA ARG A 10 2.858 -8.932 -1.101 1.00 43.11 H new ATOM 0 HB2 ARG A 10 2.992 -10.337 -3.163 1.00 22.04 H new ATOM 0 HB3 ARG A 10 3.561 -11.675 -2.185 1.00 22.04 H new ATOM 0 HG2 ARG A 10 0.978 -10.396 -1.374 1.00 60.12 H new ATOM 0 HG3 ARG A 10 0.977 -11.324 -2.861 1.00 60.12 H new ATOM 0 HD2 ARG A 10 1.785 -12.372 -0.125 1.00 13.30 H new ATOM 0 HD3 ARG A 10 0.246 -12.655 -0.913 1.00 13.30 H new ATOM 0 HE ARG A 10 2.468 -13.569 -2.561 1.00 51.34 H new ATOM 0 HH11 ARG A 10 0.931 -14.367 0.504 1.00 21.40 H new ATOM 0 HH12 ARG A 10 0.929 -16.107 0.197 1.00 21.40 H new ATOM 0 HH21 ARG A 10 2.207 -15.793 -3.080 1.00 4.33 H new ATOM 0 HH22 ARG A 10 1.652 -16.915 -1.833 1.00 4.33 H new ATOM 151 N ARG A 11 3.637 -9.452 1.292 1.00 54.42 N ATOM 152 CA ARG A 11 4.043 -9.842 2.652 1.00 12.42 C ATOM 153 C ARG A 11 2.914 -10.363 3.534 1.00 32.40 C ATOM 154 O ARG A 11 3.147 -10.746 4.680 1.00 24.31 O ATOM 155 CB ARG A 11 4.778 -8.665 3.319 1.00 42.12 C ATOM 156 CG ARG A 11 5.815 -9.117 4.359 1.00 54.12 C ATOM 157 CD ARG A 11 6.672 -7.932 4.808 1.00 0.34 C ATOM 158 NE ARG A 11 7.922 -8.364 5.451 1.00 40.43 N ATOM 159 CZ ARG A 11 8.190 -8.387 6.760 1.00 63.34 C ATOM 160 NH1 ARG A 11 7.215 -8.318 7.662 1.00 55.34 N ATOM 161 NH2 ARG A 11 9.450 -8.469 7.161 1.00 54.11 N ATOM 0 H ARG A 11 3.340 -8.480 1.204 1.00 54.42 H new ATOM 0 HA ARG A 11 4.712 -10.696 2.543 1.00 12.42 H new ATOM 0 HB2 ARG A 11 5.276 -8.073 2.551 1.00 42.12 H new ATOM 0 HB3 ARG A 11 4.048 -8.014 3.801 1.00 42.12 H new ATOM 0 HG2 ARG A 11 5.309 -9.555 5.220 1.00 54.12 H new ATOM 0 HG3 ARG A 11 6.451 -9.893 3.934 1.00 54.12 H new ATOM 0 HD2 ARG A 11 6.906 -7.307 3.946 1.00 0.34 H new ATOM 0 HD3 ARG A 11 6.102 -7.316 5.503 1.00 0.34 H new ATOM 0 HE ARG A 11 8.666 -8.681 4.830 1.00 40.43 H new ATOM 0 HH11 ARG A 11 6.244 -8.246 7.359 1.00 55.34 H new ATOM 0 HH12 ARG A 11 7.438 -8.337 8.657 1.00 55.34 H new ATOM 0 HH21 ARG A 11 10.202 -8.514 6.473 1.00 54.11 H new ATOM 0 HH22 ARG A 11 9.668 -8.487 8.157 1.00 54.11 H new ATOM 175 N THR A 12 1.722 -10.481 2.977 1.00 23.02 N ATOM 176 CA THR A 12 0.540 -11.045 3.618 1.00 32.33 C ATOM 177 C THR A 12 -0.429 -11.512 2.531 1.00 74.01 C ATOM 178 O THR A 12 -0.083 -11.459 1.349 1.00 1.24 O ATOM 179 CB THR A 12 -0.114 -10.048 4.612 1.00 73.23 C ATOM 180 OG1 THR A 12 0.583 -8.819 4.751 1.00 0.00 O ATOM 181 CG2 THR A 12 -0.217 -10.712 5.980 1.00 22.42 C ATOM 0 H THR A 12 1.540 -10.173 2.022 1.00 23.02 H new ATOM 0 HA THR A 12 0.830 -11.904 4.223 1.00 32.33 H new ATOM 0 HB THR A 12 -1.093 -9.802 4.200 1.00 73.23 H new ATOM 0 HG1 THR A 12 0.111 -8.246 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.675 -10.020 6.687 1.00 22.42 H new ATOM 0 HG22 THR A 12 -0.829 -11.611 5.903 1.00 22.42 H new ATOM 0 HG23 THR A 12 0.780 -10.981 6.330 1.00 22.42 H new ATOM 189 N ALA A 13 -1.618 -11.977 2.927 1.00 63.35 N ATOM 190 CA ALA A 13 -2.677 -12.556 2.109 1.00 54.31 C ATOM 191 C ALA A 13 -3.369 -11.579 1.148 1.00 51.32 C ATOM 192 O ALA A 13 -4.564 -11.692 0.887 1.00 64.45 O ATOM 193 CB ALA A 13 -3.692 -13.178 3.082 1.00 74.41 C ATOM 0 H ALA A 13 -1.882 -11.954 3.912 1.00 63.35 H new ATOM 0 HA ALA A 13 -2.227 -13.293 1.444 1.00 54.31 H new ATOM 0 HB1 ALA A 13 -4.509 -13.627 2.517 1.00 74.41 H new ATOM 0 HB2 ALA A 13 -3.200 -13.945 3.680 1.00 74.41 H new ATOM 0 HB3 ALA A 13 -4.088 -12.404 3.739 1.00 74.41 H new ATOM 199 N PHE A 14 -2.629 -10.623 0.602 1.00 14.12 N ATOM 200 CA PHE A 14 -3.108 -9.734 -0.438 1.00 54.24 C ATOM 201 C PHE A 14 -2.720 -10.403 -1.762 1.00 33.22 C ATOM 202 O PHE A 14 -1.634 -10.981 -1.893 1.00 14.24 O ATOM 203 CB PHE A 14 -2.507 -8.322 -0.276 1.00 53.23 C ATOM 204 CG PHE A 14 -3.058 -7.460 0.871 1.00 75.43 C ATOM 205 CD1 PHE A 14 -3.140 -7.927 2.194 1.00 61.33 C ATOM 206 CD2 PHE A 14 -3.491 -6.149 0.629 1.00 32.14 C ATOM 207 CE1 PHE A 14 -3.541 -7.115 3.264 1.00 33.41 C ATOM 208 CE2 PHE A 14 -3.936 -5.329 1.684 1.00 12.44 C ATOM 209 CZ PHE A 14 -3.930 -5.798 3.002 1.00 35.43 C ATOM 0 H PHE A 14 -1.663 -10.444 0.877 1.00 14.12 H new ATOM 0 HA PHE A 14 -4.187 -9.585 -0.392 1.00 54.24 H new ATOM 0 HB2 PHE A 14 -1.431 -8.425 -0.136 1.00 53.23 H new ATOM 0 HB3 PHE A 14 -2.657 -7.780 -1.210 1.00 53.23 H new ATOM 0 HD1 PHE A 14 -2.883 -8.956 2.395 1.00 61.33 H new ATOM 0 HD2 PHE A 14 -3.483 -5.763 -0.380 1.00 32.14 H new ATOM 0 HE1 PHE A 14 -3.549 -7.500 4.273 1.00 33.41 H new ATOM 0 HE2 PHE A 14 -4.285 -4.329 1.474 1.00 12.44 H new ATOM 0 HZ PHE A 14 -4.224 -5.147 3.812 1.00 35.43 H new ATOM 219 N THR A 15 -3.633 -10.391 -2.719 1.00 11.42 N ATOM 220 CA THR A 15 -3.477 -10.944 -4.053 1.00 73.33 C ATOM 221 C THR A 15 -3.009 -9.837 -4.999 1.00 40.32 C ATOM 222 O THR A 15 -3.026 -8.659 -4.640 1.00 0.40 O ATOM 223 CB THR A 15 -4.803 -11.581 -4.500 1.00 34.44 C ATOM 224 OG1 THR A 15 -5.881 -10.696 -4.383 1.00 2.52 O ATOM 225 CG2 THR A 15 -5.170 -12.816 -3.684 1.00 73.44 C ATOM 0 H THR A 15 -4.552 -9.972 -2.578 1.00 11.42 H new ATOM 0 HA THR A 15 -2.721 -11.730 -4.063 1.00 73.33 H new ATOM 0 HB THR A 15 -4.633 -11.852 -5.542 1.00 34.44 H new ATOM 0 HG1 THR A 15 -6.128 -10.605 -3.439 1.00 2.52 H new ATOM 0 HG21 THR A 15 -6.115 -13.223 -4.044 1.00 73.44 H new ATOM 0 HG22 THR A 15 -4.388 -13.568 -3.790 1.00 73.44 H new ATOM 0 HG23 THR A 15 -5.270 -12.542 -2.634 1.00 73.44 H new ATOM 233 N SER A 16 -2.579 -10.171 -6.216 1.00 64.01 N ATOM 234 CA SER A 16 -2.026 -9.178 -7.127 1.00 3.32 C ATOM 235 C SER A 16 -3.078 -8.196 -7.628 1.00 62.05 C ATOM 236 O SER A 16 -2.706 -7.109 -8.057 1.00 64.35 O ATOM 237 CB SER A 16 -1.321 -9.844 -8.292 1.00 64.33 C ATOM 238 OG SER A 16 -0.671 -8.871 -9.096 1.00 62.42 O ATOM 0 H SER A 16 -2.604 -11.120 -6.590 1.00 64.01 H new ATOM 0 HA SER A 16 -1.296 -8.603 -6.558 1.00 3.32 H new ATOM 0 HB2 SER A 16 -0.592 -10.565 -7.921 1.00 64.33 H new ATOM 0 HB3 SER A 16 -2.041 -10.399 -8.892 1.00 64.33 H new ATOM 0 HG SER A 16 -0.218 -9.314 -9.844 1.00 62.42 H new ATOM 244 N GLU A 17 -4.353 -8.569 -7.587 1.00 40.43 N ATOM 245 CA GLU A 17 -5.494 -7.716 -7.812 1.00 72.43 C ATOM 246 C GLU A 17 -5.417 -6.535 -6.846 1.00 15.55 C ATOM 247 O GLU A 17 -5.467 -5.369 -7.231 1.00 20.11 O ATOM 248 CB GLU A 17 -6.687 -8.629 -7.514 1.00 64.44 C ATOM 249 CG GLU A 17 -8.041 -7.982 -7.724 1.00 11.53 C ATOM 250 CD GLU A 17 -9.108 -9.001 -7.338 1.00 55.20 C ATOM 251 OE1 GLU A 17 -9.148 -9.368 -6.147 1.00 63.21 O ATOM 252 OE2 GLU A 17 -9.808 -9.573 -8.208 1.00 1.52 O ATOM 0 H GLU A 17 -4.623 -9.531 -7.384 1.00 40.43 H new ATOM 0 HA GLU A 17 -5.558 -7.293 -8.815 1.00 72.43 H new ATOM 0 HB2 GLU A 17 -6.619 -9.513 -8.148 1.00 64.44 H new ATOM 0 HB3 GLU A 17 -6.618 -8.971 -6.481 1.00 64.44 H new ATOM 0 HG2 GLU A 17 -8.133 -7.083 -7.115 1.00 11.53 H new ATOM 0 HG3 GLU A 17 -8.162 -7.677 -8.763 1.00 11.53 H new ATOM 259 N GLN A 18 -5.261 -6.871 -5.570 1.00 33.33 N ATOM 260 CA GLN A 18 -5.290 -5.966 -4.444 1.00 54.50 C ATOM 261 C GLN A 18 -3.955 -5.217 -4.357 1.00 31.05 C ATOM 262 O GLN A 18 -3.910 -4.092 -3.865 1.00 13.45 O ATOM 263 CB GLN A 18 -5.613 -6.780 -3.170 1.00 61.32 C ATOM 264 CG GLN A 18 -6.778 -7.786 -3.360 1.00 3.43 C ATOM 265 CD GLN A 18 -6.978 -8.719 -2.166 1.00 44.14 C ATOM 266 OE1 GLN A 18 -6.161 -9.608 -1.941 1.00 15.32 O ATOM 267 NE2 GLN A 18 -8.048 -8.627 -1.412 1.00 61.42 N ATOM 0 H GLN A 18 -5.103 -7.838 -5.286 1.00 33.33 H new ATOM 0 HA GLN A 18 -6.066 -5.210 -4.560 1.00 54.50 H new ATOM 0 HB2 GLN A 18 -4.721 -7.323 -2.859 1.00 61.32 H new ATOM 0 HB3 GLN A 18 -5.865 -6.092 -2.363 1.00 61.32 H new ATOM 0 HG2 GLN A 18 -7.700 -7.233 -3.537 1.00 3.43 H new ATOM 0 HG3 GLN A 18 -6.589 -8.385 -4.251 1.00 3.43 H new ATOM 0 HE21 GLN A 18 -8.734 -7.893 -1.588 1.00 61.42 H new ATOM 0 HE22 GLN A 18 -8.193 -9.289 -0.650 1.00 61.42 H new ATOM 276 N LEU A 19 -2.858 -5.806 -4.856 1.00 42.11 N ATOM 277 CA LEU A 19 -1.529 -5.179 -4.907 1.00 33.44 C ATOM 278 C LEU A 19 -1.326 -4.317 -6.145 1.00 0.14 C ATOM 279 O LEU A 19 -0.236 -3.802 -6.389 1.00 41.21 O ATOM 280 CB LEU A 19 -0.462 -6.267 -4.849 1.00 13.12 C ATOM 281 CG LEU A 19 -0.320 -6.886 -3.443 1.00 51.23 C ATOM 282 CD1 LEU A 19 0.344 -8.257 -3.511 1.00 55.21 C ATOM 283 CD2 LEU A 19 0.504 -6.033 -2.469 1.00 51.12 C ATOM 0 H LEU A 19 -2.870 -6.750 -5.243 1.00 42.11 H new ATOM 0 HA LEU A 19 -1.447 -4.513 -4.048 1.00 33.44 H new ATOM 0 HB2 LEU A 19 -0.710 -7.052 -5.564 1.00 13.12 H new ATOM 0 HB3 LEU A 19 0.496 -5.847 -5.155 1.00 13.12 H new ATOM 0 HG LEU A 19 -1.342 -6.953 -3.070 1.00 51.23 H new ATOM 0 HD11 LEU A 19 0.431 -8.669 -2.506 1.00 55.21 H new ATOM 0 HD12 LEU A 19 -0.260 -8.924 -4.126 1.00 55.21 H new ATOM 0 HD13 LEU A 19 1.337 -8.159 -3.950 1.00 55.21 H new ATOM 0 HD21 LEU A 19 0.559 -6.534 -1.503 1.00 51.12 H new ATOM 0 HD22 LEU A 19 1.510 -5.898 -2.865 1.00 51.12 H new ATOM 0 HD23 LEU A 19 0.029 -5.060 -2.346 1.00 51.12 H new ATOM 295 N LEU A 20 -2.351 -4.196 -6.959 1.00 33.12 N ATOM 296 CA LEU A 20 -2.417 -3.218 -8.016 1.00 44.11 C ATOM 297 C LEU A 20 -2.754 -1.877 -7.369 1.00 0.14 C ATOM 298 O LEU A 20 -1.925 -0.974 -7.297 1.00 4.41 O ATOM 299 CB LEU A 20 -3.456 -3.684 -9.046 1.00 12.32 C ATOM 300 CG LEU A 20 -3.033 -3.421 -10.488 1.00 43.33 C ATOM 301 CD1 LEU A 20 -4.164 -3.919 -11.389 1.00 52.42 C ATOM 302 CD2 LEU A 20 -2.727 -1.945 -10.745 1.00 42.24 C ATOM 0 H LEU A 20 -3.179 -4.789 -6.901 1.00 33.12 H new ATOM 0 HA LEU A 20 -1.476 -3.104 -8.553 1.00 44.11 H new ATOM 0 HB2 LEU A 20 -3.634 -4.751 -8.915 1.00 12.32 H new ATOM 0 HB3 LEU A 20 -4.402 -3.177 -8.853 1.00 12.32 H new ATOM 0 HG LEU A 20 -2.105 -3.952 -10.702 1.00 43.33 H new ATOM 0 HD11 LEU A 20 -3.900 -3.748 -12.433 1.00 52.42 H new ATOM 0 HD12 LEU A 20 -4.319 -4.985 -11.223 1.00 52.42 H new ATOM 0 HD13 LEU A 20 -5.081 -3.379 -11.154 1.00 52.42 H new ATOM 0 HD21 LEU A 20 -2.431 -1.811 -11.785 1.00 42.24 H new ATOM 0 HD22 LEU A 20 -3.616 -1.348 -10.541 1.00 42.24 H new ATOM 0 HD23 LEU A 20 -1.916 -1.623 -10.092 1.00 42.24 H new ATOM 314 N GLU A 21 -3.961 -1.787 -6.823 1.00 42.51 N ATOM 315 CA GLU A 21 -4.599 -0.541 -6.435 1.00 12.42 C ATOM 316 C GLU A 21 -3.894 0.097 -5.243 1.00 61.02 C ATOM 317 O GLU A 21 -3.706 1.311 -5.221 1.00 4.33 O ATOM 318 CB GLU A 21 -6.074 -0.830 -6.119 1.00 41.32 C ATOM 319 CG GLU A 21 -6.800 -1.475 -7.312 1.00 14.13 C ATOM 320 CD GLU A 21 -6.747 -0.561 -8.534 1.00 53.54 C ATOM 321 OE1 GLU A 21 -7.448 0.478 -8.550 1.00 35.23 O ATOM 322 OE2 GLU A 21 -5.932 -0.799 -9.453 1.00 3.31 O ATOM 0 H GLU A 21 -4.538 -2.606 -6.633 1.00 42.51 H new ATOM 0 HA GLU A 21 -4.532 0.174 -7.255 1.00 12.42 H new ATOM 0 HB2 GLU A 21 -6.137 -1.491 -5.255 1.00 41.32 H new ATOM 0 HB3 GLU A 21 -6.576 0.099 -5.847 1.00 41.32 H new ATOM 0 HG2 GLU A 21 -6.340 -2.434 -7.549 1.00 14.13 H new ATOM 0 HG3 GLU A 21 -7.838 -1.676 -7.047 1.00 14.13 H new ATOM 329 N LEU A 22 -3.438 -0.720 -4.289 1.00 34.33 N ATOM 330 CA LEU A 22 -2.681 -0.252 -3.126 1.00 15.41 C ATOM 331 C LEU A 22 -1.366 0.401 -3.521 1.00 72.42 C ATOM 332 O LEU A 22 -0.846 1.203 -2.756 1.00 3.43 O ATOM 333 CB LEU A 22 -2.432 -1.417 -2.146 1.00 73.02 C ATOM 334 CG LEU A 22 -3.282 -1.349 -0.865 1.00 4.52 C ATOM 335 CD1 LEU A 22 -4.757 -1.160 -1.195 1.00 75.31 C ATOM 336 CD2 LEU A 22 -3.185 -2.637 -0.037 1.00 1.43 C ATOM 0 H LEU A 22 -3.585 -1.729 -4.303 1.00 34.33 H new ATOM 0 HA LEU A 22 -3.283 0.510 -2.631 1.00 15.41 H new ATOM 0 HB2 LEU A 22 -2.637 -2.358 -2.656 1.00 73.02 H new ATOM 0 HB3 LEU A 22 -1.378 -1.427 -1.870 1.00 73.02 H new ATOM 0 HG LEU A 22 -2.890 -0.504 -0.299 1.00 4.52 H new ATOM 0 HD11 LEU A 22 -5.334 -1.115 -0.271 1.00 75.31 H new ATOM 0 HD12 LEU A 22 -4.889 -0.232 -1.751 1.00 75.31 H new ATOM 0 HD13 LEU A 22 -5.105 -1.998 -1.800 1.00 75.31 H new ATOM 0 HD21 LEU A 22 -3.801 -2.542 0.857 1.00 1.43 H new ATOM 0 HD22 LEU A 22 -3.537 -3.480 -0.632 1.00 1.43 H new ATOM 0 HD23 LEU A 22 -2.148 -2.806 0.253 1.00 1.43 H new ATOM 348 N ARG A 23 -0.823 0.088 -4.699 1.00 2.24 N ATOM 349 CA ARG A 23 0.403 0.710 -5.183 1.00 33.02 C ATOM 350 C ARG A 23 0.057 1.920 -6.043 1.00 62.12 C ATOM 351 O ARG A 23 0.769 2.920 -5.978 1.00 21.01 O ATOM 352 CB ARG A 23 1.236 -0.336 -5.933 1.00 43.21 C ATOM 353 CG ARG A 23 1.710 -1.438 -4.967 1.00 31.43 C ATOM 354 CD ARG A 23 2.332 -2.629 -5.696 1.00 60.31 C ATOM 355 NE ARG A 23 3.786 -2.701 -5.529 1.00 1.33 N ATOM 356 CZ ARG A 23 4.660 -3.142 -6.436 1.00 1.11 C ATOM 357 NH1 ARG A 23 4.273 -3.620 -7.615 1.00 73.31 N ATOM 358 NH2 ARG A 23 5.949 -3.113 -6.119 1.00 32.31 N ATOM 0 H ARG A 23 -1.221 -0.600 -5.338 1.00 2.24 H new ATOM 0 HA ARG A 23 1.008 1.073 -4.352 1.00 33.02 H new ATOM 0 HB2 ARG A 23 0.643 -0.776 -6.734 1.00 43.21 H new ATOM 0 HB3 ARG A 23 2.097 0.142 -6.400 1.00 43.21 H new ATOM 0 HG2 ARG A 23 2.439 -1.019 -4.274 1.00 31.43 H new ATOM 0 HG3 ARG A 23 0.865 -1.782 -4.371 1.00 31.43 H new ATOM 0 HD2 ARG A 23 1.882 -3.551 -5.326 1.00 60.31 H new ATOM 0 HD3 ARG A 23 2.096 -2.563 -6.758 1.00 60.31 H new ATOM 0 HE ARG A 23 4.165 -2.385 -4.637 1.00 1.33 H new ATOM 0 HH11 ARG A 23 3.281 -3.658 -7.849 1.00 73.31 H new ATOM 0 HH12 ARG A 23 4.968 -3.949 -8.285 1.00 73.31 H new ATOM 0 HH21 ARG A 23 6.242 -2.762 -5.207 1.00 32.31 H new ATOM 0 HH22 ARG A 23 6.646 -3.442 -6.787 1.00 32.31 H new ATOM 372 N LYS A 24 -1.039 1.863 -6.808 1.00 55.43 N ATOM 373 CA LYS A 24 -1.459 2.997 -7.624 1.00 74.44 C ATOM 374 C LYS A 24 -1.859 4.174 -6.743 1.00 12.15 C ATOM 375 O LYS A 24 -1.455 5.302 -7.019 1.00 60.01 O ATOM 376 CB LYS A 24 -2.609 2.635 -8.566 1.00 33.24 C ATOM 377 CG LYS A 24 -2.217 1.678 -9.698 1.00 3.12 C ATOM 378 CD LYS A 24 -3.373 1.475 -10.689 1.00 72.10 C ATOM 379 CE LYS A 24 -3.843 2.732 -11.437 1.00 61.24 C ATOM 380 NZ LYS A 24 -2.853 3.217 -12.424 1.00 1.52 N ATOM 0 H LYS A 24 -1.646 1.046 -6.876 1.00 55.43 H new ATOM 0 HA LYS A 24 -0.604 3.281 -8.238 1.00 74.44 H new ATOM 0 HB2 LYS A 24 -3.412 2.182 -7.984 1.00 33.24 H new ATOM 0 HB3 LYS A 24 -3.009 3.551 -9.002 1.00 33.24 H new ATOM 0 HG2 LYS A 24 -1.349 2.073 -10.226 1.00 3.12 H new ATOM 0 HG3 LYS A 24 -1.924 0.716 -9.278 1.00 3.12 H new ATOM 0 HD2 LYS A 24 -3.069 0.730 -11.425 1.00 72.10 H new ATOM 0 HD3 LYS A 24 -4.222 1.059 -10.147 1.00 72.10 H new ATOM 0 HE2 LYS A 24 -4.782 2.516 -11.947 1.00 61.24 H new ATOM 0 HE3 LYS A 24 -4.047 3.523 -10.716 1.00 61.24 H new ATOM 0 HZ1 LYS A 24 -3.222 4.066 -12.898 1.00 1.52 H new ATOM 0 HZ2 LYS A 24 -1.964 3.451 -11.938 1.00 1.52 H new ATOM 0 HZ3 LYS A 24 -2.676 2.475 -13.131 1.00 1.52 H new ATOM 394 N GLU A 25 -2.674 3.952 -5.712 1.00 63.22 N ATOM 395 CA GLU A 25 -3.120 5.046 -4.858 1.00 13.14 C ATOM 396 C GLU A 25 -1.967 5.538 -3.980 1.00 64.33 C ATOM 397 O GLU A 25 -1.886 6.731 -3.689 1.00 43.13 O ATOM 398 CB GLU A 25 -4.322 4.612 -4.009 1.00 2.55 C ATOM 399 CG GLU A 25 -5.582 4.315 -4.835 1.00 11.45 C ATOM 400 CD GLU A 25 -6.148 5.549 -5.544 1.00 1.15 C ATOM 401 OE1 GLU A 25 -5.655 5.944 -6.620 1.00 35.11 O ATOM 402 OE2 GLU A 25 -7.158 6.115 -5.063 1.00 34.12 O ATOM 0 H GLU A 25 -3.034 3.034 -5.452 1.00 63.22 H new ATOM 0 HA GLU A 25 -3.441 5.875 -5.488 1.00 13.14 H new ATOM 0 HB2 GLU A 25 -4.052 3.722 -3.440 1.00 2.55 H new ATOM 0 HB3 GLU A 25 -4.548 5.396 -3.286 1.00 2.55 H new ATOM 0 HG2 GLU A 25 -5.349 3.553 -5.578 1.00 11.45 H new ATOM 0 HG3 GLU A 25 -6.347 3.898 -4.180 1.00 11.45 H new ATOM 409 N PHE A 26 -1.036 4.656 -3.600 1.00 64.33 N ATOM 410 CA PHE A 26 0.112 5.029 -2.786 1.00 43.23 C ATOM 411 C PHE A 26 0.933 6.145 -3.434 1.00 54.53 C ATOM 412 O PHE A 26 1.346 7.076 -2.737 1.00 13.52 O ATOM 413 CB PHE A 26 0.988 3.803 -2.514 1.00 62.41 C ATOM 414 CG PHE A 26 2.264 4.138 -1.781 1.00 40.31 C ATOM 415 CD1 PHE A 26 2.194 4.437 -0.413 1.00 64.22 C ATOM 416 CD2 PHE A 26 3.494 4.221 -2.463 1.00 4.34 C ATOM 417 CE1 PHE A 26 3.350 4.816 0.276 1.00 52.54 C ATOM 418 CE2 PHE A 26 4.656 4.603 -1.769 1.00 61.31 C ATOM 419 CZ PHE A 26 4.581 4.894 -0.398 1.00 31.14 C ATOM 0 H PHE A 26 -1.062 3.668 -3.850 1.00 64.33 H new ATOM 0 HA PHE A 26 -0.265 5.414 -1.839 1.00 43.23 H new ATOM 0 HB2 PHE A 26 0.419 3.080 -1.929 1.00 62.41 H new ATOM 0 HB3 PHE A 26 1.235 3.323 -3.461 1.00 62.41 H new ATOM 0 HD1 PHE A 26 1.250 4.375 0.107 1.00 64.22 H new ATOM 0 HD2 PHE A 26 3.544 3.992 -3.517 1.00 4.34 H new ATOM 0 HE1 PHE A 26 3.297 5.050 1.329 1.00 52.54 H new ATOM 0 HE2 PHE A 26 5.601 4.672 -2.288 1.00 61.31 H new ATOM 0 HZ PHE A 26 5.472 5.179 0.141 1.00 31.14 H new ATOM 429 N HIS A 27 1.183 6.065 -4.744 1.00 62.14 N ATOM 430 CA HIS A 27 2.071 7.005 -5.417 1.00 31.33 C ATOM 431 C HIS A 27 1.437 8.381 -5.657 1.00 44.40 C ATOM 432 O HIS A 27 2.105 9.253 -6.223 1.00 14.31 O ATOM 433 CB HIS A 27 2.617 6.393 -6.712 1.00 34.05 C ATOM 434 CG HIS A 27 1.643 6.297 -7.861 1.00 23.15 C ATOM 435 ND1 HIS A 27 1.103 7.350 -8.568 1.00 43.13 N ATOM 436 CD2 HIS A 27 1.233 5.140 -8.462 1.00 31.05 C ATOM 437 CE1 HIS A 27 0.356 6.834 -9.559 1.00 22.43 C ATOM 438 NE2 HIS A 27 0.426 5.492 -9.547 1.00 40.12 N ATOM 0 H HIS A 27 0.780 5.356 -5.357 1.00 62.14 H new ATOM 0 HA HIS A 27 2.906 7.189 -4.741 1.00 31.33 H new ATOM 0 HB2 HIS A 27 3.474 6.984 -7.036 1.00 34.05 H new ATOM 0 HB3 HIS A 27 2.986 5.392 -6.490 1.00 34.05 H new ATOM 0 HD2 HIS A 27 1.487 4.136 -8.154 1.00 31.05 H new ATOM 0 HE1 HIS A 27 -0.219 7.415 -10.265 1.00 22.43 H new ATOM 0 HE2 HIS A 27 -0.023 4.854 -10.203 1.00 40.12 H new ATOM 446 N CYS A 28 0.176 8.609 -5.270 1.00 12.21 N ATOM 447 CA CYS A 28 -0.466 9.918 -5.365 1.00 60.14 C ATOM 448 C CYS A 28 -0.981 10.406 -4.011 1.00 51.52 C ATOM 449 O CYS A 28 -0.824 11.589 -3.688 1.00 62.23 O ATOM 450 CB CYS A 28 -1.571 9.914 -6.435 1.00 15.12 C ATOM 451 SG CYS A 28 -2.801 8.615 -6.147 1.00 60.34 S ATOM 0 H CYS A 28 -0.427 7.885 -4.881 1.00 12.21 H new ATOM 0 HA CYS A 28 0.294 10.633 -5.680 1.00 60.14 H new ATOM 0 HB2 CYS A 28 -2.067 10.885 -6.446 1.00 15.12 H new ATOM 0 HB3 CYS A 28 -1.121 9.774 -7.418 1.00 15.12 H new ATOM 0 HG CYS A 28 -2.427 7.878 -5.143 1.00 60.34 H new ATOM 457 N LYS A 29 -1.625 9.546 -3.223 1.00 42.53 N ATOM 458 CA LYS A 29 -2.286 9.964 -2.002 1.00 13.33 C ATOM 459 C LYS A 29 -1.281 10.086 -0.867 1.00 1.21 C ATOM 460 O LYS A 29 -0.993 9.124 -0.147 1.00 54.44 O ATOM 461 CB LYS A 29 -3.441 9.016 -1.666 1.00 63.01 C ATOM 462 CG LYS A 29 -4.715 9.345 -2.467 1.00 34.12 C ATOM 463 CD LYS A 29 -5.427 10.586 -1.901 1.00 15.24 C ATOM 464 CE LYS A 29 -6.890 10.675 -2.328 1.00 42.53 C ATOM 465 NZ LYS A 29 -7.112 11.269 -3.657 1.00 20.01 N ATOM 0 H LYS A 29 -1.699 8.547 -3.417 1.00 42.53 H new ATOM 0 HA LYS A 29 -2.720 10.953 -2.150 1.00 13.33 H new ATOM 0 HB2 LYS A 29 -3.138 7.990 -1.873 1.00 63.01 H new ATOM 0 HB3 LYS A 29 -3.659 9.075 -0.600 1.00 63.01 H new ATOM 0 HG2 LYS A 29 -4.456 9.517 -3.512 1.00 34.12 H new ATOM 0 HG3 LYS A 29 -5.393 8.492 -2.443 1.00 34.12 H new ATOM 0 HD2 LYS A 29 -5.372 10.566 -0.813 1.00 15.24 H new ATOM 0 HD3 LYS A 29 -4.902 11.482 -2.231 1.00 15.24 H new ATOM 0 HE2 LYS A 29 -7.318 9.673 -2.318 1.00 42.53 H new ATOM 0 HE3 LYS A 29 -7.434 11.262 -1.588 1.00 42.53 H new ATOM 0 HZ1 LYS A 29 -8.131 11.289 -3.863 1.00 20.01 H new ATOM 0 HZ2 LYS A 29 -6.737 12.239 -3.671 1.00 20.01 H new ATOM 0 HZ3 LYS A 29 -6.625 10.699 -4.378 1.00 20.01 H new ATOM 479 N LYS A 30 -0.889 11.338 -0.618 1.00 64.11 N ATOM 480 CA LYS A 30 -0.208 11.776 0.597 1.00 3.11 C ATOM 481 C LYS A 30 -0.868 11.175 1.835 1.00 32.24 C ATOM 482 O LYS A 30 -0.154 10.698 2.722 1.00 72.02 O ATOM 483 CB LYS A 30 -0.172 13.316 0.653 1.00 12.11 C ATOM 484 CG LYS A 30 -1.560 13.992 0.602 1.00 74.01 C ATOM 485 CD LYS A 30 -1.578 15.256 -0.276 1.00 40.31 C ATOM 486 CE LYS A 30 -3.016 15.741 -0.518 1.00 62.24 C ATOM 487 NZ LYS A 30 -3.075 17.060 -1.186 1.00 43.11 N ATOM 0 H LYS A 30 -1.043 12.098 -1.281 1.00 64.11 H new ATOM 0 HA LYS A 30 0.821 11.417 0.579 1.00 3.11 H new ATOM 0 HB2 LYS A 30 0.333 13.622 1.569 1.00 12.11 H new ATOM 0 HB3 LYS A 30 0.428 13.683 -0.180 1.00 12.11 H new ATOM 0 HG2 LYS A 30 -2.292 13.280 0.220 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -1.868 14.254 1.614 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -1.001 16.045 0.206 1.00 40.31 H new ATOM 0 HD3 LYS A 30 -1.096 15.046 -1.231 1.00 40.31 H new ATOM 0 HE2 LYS A 30 -3.544 15.007 -1.127 1.00 62.24 H new ATOM 0 HE3 LYS A 30 -3.540 15.799 0.436 1.00 62.24 H new ATOM 0 HZ1 LYS A 30 -4.068 17.336 -1.323 1.00 43.11 H new ATOM 0 HZ2 LYS A 30 -2.597 17.770 -0.595 1.00 43.11 H new ATOM 0 HZ3 LYS A 30 -2.601 17.003 -2.110 1.00 43.11 H new ATOM 501 N TYR A 31 -2.203 11.157 1.901 1.00 62.43 N ATOM 502 CA TYR A 31 -2.956 10.251 2.747 1.00 42.11 C ATOM 503 C TYR A 31 -4.378 10.124 2.202 1.00 22.31 C ATOM 504 O TYR A 31 -4.895 11.070 1.617 1.00 60.03 O ATOM 505 CB TYR A 31 -2.973 10.736 4.208 1.00 41.14 C ATOM 506 CG TYR A 31 -3.424 12.171 4.415 1.00 73.30 C ATOM 507 CD1 TYR A 31 -2.515 13.233 4.228 1.00 40.22 C ATOM 508 CD2 TYR A 31 -4.749 12.444 4.806 1.00 33.53 C ATOM 509 CE1 TYR A 31 -2.923 14.558 4.460 1.00 43.13 C ATOM 510 CE2 TYR A 31 -5.160 13.767 5.038 1.00 23.24 C ATOM 511 CZ TYR A 31 -4.243 14.828 4.878 1.00 54.23 C ATOM 512 OH TYR A 31 -4.633 16.110 5.095 1.00 21.33 O ATOM 0 H TYR A 31 -2.792 11.786 1.355 1.00 62.43 H new ATOM 0 HA TYR A 31 -2.474 9.273 2.737 1.00 42.11 H new ATOM 0 HB2 TYR A 31 -3.628 10.081 4.782 1.00 41.14 H new ATOM 0 HB3 TYR A 31 -1.970 10.625 4.621 1.00 41.14 H new ATOM 0 HD1 TYR A 31 -1.505 13.028 3.906 1.00 40.22 H new ATOM 0 HD2 TYR A 31 -5.452 11.633 4.928 1.00 33.53 H new ATOM 0 HE1 TYR A 31 -2.225 15.370 4.318 1.00 43.13 H new ATOM 0 HE2 TYR A 31 -6.177 13.972 5.339 1.00 23.24 H new ATOM 0 HH TYR A 31 -5.571 16.123 5.377 1.00 21.33 H new ATOM 522 N LEU A 32 -5.006 8.965 2.412 1.00 53.21 N ATOM 523 CA LEU A 32 -6.424 8.706 2.180 1.00 74.21 C ATOM 524 C LEU A 32 -7.252 9.391 3.266 1.00 20.43 C ATOM 525 O LEU A 32 -6.933 9.235 4.449 1.00 43.12 O ATOM 526 CB LEU A 32 -6.645 7.180 2.258 1.00 75.34 C ATOM 527 CG LEU A 32 -6.547 6.435 0.915 1.00 33.05 C ATOM 528 CD1 LEU A 32 -5.302 6.783 0.116 1.00 2.32 C ATOM 529 CD2 LEU A 32 -6.623 4.917 1.110 1.00 72.04 C ATOM 0 H LEU A 32 -4.514 8.144 2.765 1.00 53.21 H new ATOM 0 HA LEU A 32 -6.727 9.090 1.206 1.00 74.21 H new ATOM 0 HB2 LEU A 32 -5.911 6.757 2.944 1.00 75.34 H new ATOM 0 HB3 LEU A 32 -7.629 6.993 2.688 1.00 75.34 H new ATOM 0 HG LEU A 32 -7.407 6.773 0.337 1.00 33.05 H new ATOM 0 HD11 LEU A 32 -5.300 6.221 -0.818 1.00 2.32 H new ATOM 0 HD12 LEU A 32 -5.297 7.851 -0.103 1.00 2.32 H new ATOM 0 HD13 LEU A 32 -4.415 6.527 0.695 1.00 2.32 H new ATOM 0 HD21 LEU A 32 -6.551 4.422 0.142 1.00 72.04 H new ATOM 0 HD22 LEU A 32 -5.801 4.590 1.747 1.00 72.04 H new ATOM 0 HD23 LEU A 32 -7.571 4.658 1.580 1.00 72.04 H new ATOM 541 N SER A 33 -8.331 10.080 2.896 1.00 51.41 N ATOM 542 CA SER A 33 -9.341 10.557 3.839 1.00 72.21 C ATOM 543 C SER A 33 -10.144 9.381 4.431 1.00 73.41 C ATOM 544 O SER A 33 -9.998 8.221 4.032 1.00 72.30 O ATOM 545 CB SER A 33 -10.265 11.569 3.141 1.00 42.32 C ATOM 546 OG SER A 33 -9.544 12.673 2.635 1.00 3.31 O ATOM 0 H SER A 33 -8.530 10.324 1.926 1.00 51.41 H new ATOM 0 HA SER A 33 -8.841 11.057 4.669 1.00 72.21 H new ATOM 0 HB2 SER A 33 -10.795 11.076 2.326 1.00 42.32 H new ATOM 0 HB3 SER A 33 -11.019 11.919 3.846 1.00 42.32 H new ATOM 0 HG SER A 33 -10.162 13.294 2.197 1.00 3.31 H new ATOM 552 N LEU A 34 -11.025 9.689 5.386 1.00 13.11 N ATOM 553 CA LEU A 34 -11.777 8.728 6.198 1.00 3.35 C ATOM 554 C LEU A 34 -12.839 7.969 5.400 1.00 23.44 C ATOM 555 O LEU A 34 -13.288 6.914 5.846 1.00 41.24 O ATOM 556 CB LEU A 34 -12.415 9.475 7.390 1.00 60.33 C ATOM 557 CG LEU A 34 -11.559 9.556 8.674 1.00 4.41 C ATOM 558 CD1 LEU A 34 -11.875 8.385 9.601 1.00 60.52 C ATOM 559 CD2 LEU A 34 -10.041 9.655 8.456 1.00 43.33 C ATOM 0 H LEU A 34 -11.243 10.656 5.625 1.00 13.11 H new ATOM 0 HA LEU A 34 -11.078 7.972 6.555 1.00 3.35 H new ATOM 0 HB2 LEU A 34 -12.654 10.490 7.072 1.00 60.33 H new ATOM 0 HB3 LEU A 34 -13.358 8.988 7.636 1.00 60.33 H new ATOM 0 HG LEU A 34 -11.844 10.503 9.132 1.00 4.41 H new ATOM 0 HD11 LEU A 34 -11.263 8.458 10.500 1.00 60.52 H new ATOM 0 HD12 LEU A 34 -12.929 8.413 9.876 1.00 60.52 H new ATOM 0 HD13 LEU A 34 -11.658 7.447 9.089 1.00 60.52 H new ATOM 0 HD21 LEU A 34 -9.537 9.706 9.421 1.00 43.33 H new ATOM 0 HD22 LEU A 34 -9.694 8.777 7.912 1.00 43.33 H new ATOM 0 HD23 LEU A 34 -9.814 10.552 7.880 1.00 43.33 H new ATOM 571 N THR A 35 -13.262 8.457 4.236 1.00 22.21 N ATOM 572 CA THR A 35 -14.066 7.663 3.311 1.00 24.53 C ATOM 573 C THR A 35 -13.144 6.765 2.481 1.00 4.15 C ATOM 574 O THR A 35 -13.441 5.597 2.276 1.00 51.10 O ATOM 575 CB THR A 35 -14.887 8.608 2.430 1.00 2.45 C ATOM 576 OG1 THR A 35 -15.800 9.335 3.235 1.00 2.42 O ATOM 577 CG2 THR A 35 -15.667 7.872 1.339 1.00 51.23 C ATOM 0 H THR A 35 -13.060 9.402 3.910 1.00 22.21 H new ATOM 0 HA THR A 35 -14.757 7.018 3.854 1.00 24.53 H new ATOM 0 HB THR A 35 -14.181 9.277 1.938 1.00 2.45 H new ATOM 0 HG1 THR A 35 -16.324 9.941 2.670 1.00 2.42 H new ATOM 0 HG21 THR A 35 -16.230 8.592 0.746 1.00 51.23 H new ATOM 0 HG22 THR A 35 -14.972 7.335 0.694 1.00 51.23 H new ATOM 0 HG23 THR A 35 -16.356 7.163 1.799 1.00 51.23 H new ATOM 585 N GLU A 36 -12.020 7.289 1.998 1.00 55.21 N ATOM 586 CA GLU A 36 -11.136 6.631 1.041 1.00 15.12 C ATOM 587 C GLU A 36 -10.542 5.348 1.616 1.00 33.14 C ATOM 588 O GLU A 36 -10.495 4.312 0.964 1.00 14.53 O ATOM 589 CB GLU A 36 -10.039 7.613 0.642 1.00 40.50 C ATOM 590 CG GLU A 36 -10.621 8.936 0.138 1.00 20.11 C ATOM 591 CD GLU A 36 -9.586 9.797 -0.559 1.00 31.44 C ATOM 592 OE1 GLU A 36 -8.834 10.494 0.149 1.00 20.25 O ATOM 593 OE2 GLU A 36 -9.589 9.815 -1.810 1.00 42.20 O ATOM 0 H GLU A 36 -11.689 8.214 2.272 1.00 55.21 H new ATOM 0 HA GLU A 36 -11.710 6.341 0.161 1.00 15.12 H new ATOM 0 HB2 GLU A 36 -9.391 7.803 1.498 1.00 40.50 H new ATOM 0 HB3 GLU A 36 -9.418 7.169 -0.136 1.00 40.50 H new ATOM 0 HG2 GLU A 36 -11.441 8.730 -0.550 1.00 20.11 H new ATOM 0 HG3 GLU A 36 -11.042 9.488 0.979 1.00 20.11 H new ATOM 600 N ARG A 37 -10.147 5.382 2.884 1.00 13.13 N ATOM 601 CA ARG A 37 -9.719 4.181 3.603 1.00 60.51 C ATOM 602 C ARG A 37 -10.802 3.114 3.755 1.00 11.25 C ATOM 603 O ARG A 37 -10.463 1.958 3.998 1.00 22.32 O ATOM 604 CB ARG A 37 -9.145 4.577 4.963 1.00 2.35 C ATOM 605 CG ARG A 37 -7.624 4.585 4.852 1.00 32.55 C ATOM 606 CD ARG A 37 -6.956 5.137 6.109 1.00 55.32 C ATOM 607 NE ARG A 37 -6.594 6.561 6.006 1.00 15.13 N ATOM 608 CZ ARG A 37 -5.637 7.142 6.739 1.00 21.35 C ATOM 609 NH1 ARG A 37 -4.964 6.455 7.660 1.00 32.35 N ATOM 610 NH2 ARG A 37 -5.358 8.423 6.555 1.00 52.30 N ATOM 0 H ARG A 37 -10.113 6.235 3.442 1.00 13.13 H new ATOM 0 HA ARG A 37 -8.949 3.712 2.990 1.00 60.51 H new ATOM 0 HB2 ARG A 37 -9.510 5.561 5.258 1.00 2.35 H new ATOM 0 HB3 ARG A 37 -9.467 3.874 5.731 1.00 2.35 H new ATOM 0 HG2 ARG A 37 -7.270 3.570 4.670 1.00 32.55 H new ATOM 0 HG3 ARG A 37 -7.327 5.185 3.992 1.00 32.55 H new ATOM 0 HD2 ARG A 37 -7.628 5.002 6.957 1.00 55.32 H new ATOM 0 HD3 ARG A 37 -6.058 4.556 6.318 1.00 55.32 H new ATOM 0 HE ARG A 37 -7.103 7.138 5.336 1.00 15.13 H new ATOM 0 HH11 ARG A 37 -5.175 5.469 7.816 1.00 32.35 H new ATOM 0 HH12 ARG A 37 -4.238 6.914 8.209 1.00 32.35 H new ATOM 0 HH21 ARG A 37 -5.871 8.962 5.857 1.00 52.30 H new ATOM 0 HH22 ARG A 37 -4.630 8.871 7.111 1.00 52.30 H new ATOM 624 N SER A 38 -12.068 3.492 3.617 1.00 20.44 N ATOM 625 CA SER A 38 -13.164 2.553 3.455 1.00 72.23 C ATOM 626 C SER A 38 -13.283 2.114 1.990 1.00 52.10 C ATOM 627 O SER A 38 -13.453 0.924 1.746 1.00 55.31 O ATOM 628 CB SER A 38 -14.467 3.149 3.993 1.00 35.42 C ATOM 629 OG SER A 38 -15.379 2.113 4.291 1.00 31.31 O ATOM 0 H SER A 38 -12.362 4.469 3.615 1.00 20.44 H new ATOM 0 HA SER A 38 -12.956 1.658 4.042 1.00 72.23 H new ATOM 0 HB2 SER A 38 -14.266 3.738 4.888 1.00 35.42 H new ATOM 0 HB3 SER A 38 -14.899 3.826 3.256 1.00 35.42 H new ATOM 0 HG SER A 38 -16.211 2.499 4.637 1.00 31.31 H new ATOM 635 N GLN A 39 -13.167 3.018 1.009 1.00 55.44 N ATOM 636 CA GLN A 39 -13.244 2.689 -0.416 1.00 0.41 C ATOM 637 C GLN A 39 -12.265 1.571 -0.770 1.00 34.31 C ATOM 638 O GLN A 39 -12.674 0.477 -1.163 1.00 4.53 O ATOM 639 CB GLN A 39 -12.925 3.908 -1.298 1.00 23.45 C ATOM 640 CG GLN A 39 -13.960 5.021 -1.312 1.00 44.11 C ATOM 641 CD GLN A 39 -13.475 6.162 -2.206 1.00 53.11 C ATOM 642 OE1 GLN A 39 -13.171 5.962 -3.383 1.00 62.03 O ATOM 643 NE2 GLN A 39 -13.414 7.374 -1.674 1.00 52.40 N ATOM 0 H GLN A 39 -13.015 4.011 1.187 1.00 55.44 H new ATOM 0 HA GLN A 39 -14.267 2.365 -0.607 1.00 0.41 H new ATOM 0 HB2 GLN A 39 -11.975 4.329 -0.969 1.00 23.45 H new ATOM 0 HB3 GLN A 39 -12.782 3.561 -2.321 1.00 23.45 H new ATOM 0 HG2 GLN A 39 -14.914 4.640 -1.677 1.00 44.11 H new ATOM 0 HG3 GLN A 39 -14.130 5.386 -0.299 1.00 44.11 H new ATOM 0 HE21 GLN A 39 -13.671 7.516 -0.697 1.00 52.40 H new ATOM 0 HE22 GLN A 39 -13.110 8.165 -2.241 1.00 52.40 H new ATOM 652 N ILE A 40 -10.974 1.829 -0.580 1.00 55.34 N ATOM 653 CA ILE A 40 -9.877 0.965 -1.011 1.00 64.12 C ATOM 654 C ILE A 40 -9.787 -0.307 -0.147 1.00 22.35 C ATOM 655 O ILE A 40 -8.981 -1.203 -0.386 1.00 54.51 O ATOM 656 CB ILE A 40 -8.594 1.837 -1.016 1.00 33.01 C ATOM 657 CG1 ILE A 40 -8.739 3.158 -1.814 1.00 64.24 C ATOM 658 CG2 ILE A 40 -7.348 1.097 -1.526 1.00 35.02 C ATOM 659 CD1 ILE A 40 -9.347 2.967 -3.203 1.00 15.23 C ATOM 0 H ILE A 40 -10.651 2.673 -0.106 1.00 55.34 H new ATOM 0 HA ILE A 40 -10.036 0.578 -2.018 1.00 64.12 H new ATOM 0 HB ILE A 40 -8.457 2.077 0.039 1.00 33.01 H new ATOM 0 HG12 ILE A 40 -9.361 3.850 -1.246 1.00 64.24 H new ATOM 0 HG13 ILE A 40 -7.758 3.621 -1.916 1.00 64.24 H new ATOM 0 HG21 ILE A 40 -6.490 1.769 -1.501 1.00 35.02 H new ATOM 0 HG22 ILE A 40 -7.152 0.234 -0.890 1.00 35.02 H new ATOM 0 HG23 ILE A 40 -7.517 0.762 -2.549 1.00 35.02 H new ATOM 0 HD11 ILE A 40 -9.419 3.932 -3.705 1.00 15.23 H new ATOM 0 HD12 ILE A 40 -8.714 2.300 -3.789 1.00 15.23 H new ATOM 0 HD13 ILE A 40 -10.342 2.532 -3.108 1.00 15.23 H new ATOM 671 N ALA A 41 -10.661 -0.416 0.847 1.00 0.31 N ATOM 672 CA ALA A 41 -10.876 -1.623 1.625 1.00 72.32 C ATOM 673 C ALA A 41 -12.067 -2.378 1.052 1.00 3.42 C ATOM 674 O ALA A 41 -11.995 -3.593 0.873 1.00 20.01 O ATOM 675 CB ALA A 41 -11.085 -1.263 3.101 1.00 52.32 C ATOM 0 H ALA A 41 -11.256 0.359 1.140 1.00 0.31 H new ATOM 0 HA ALA A 41 -10.001 -2.270 1.568 1.00 72.32 H new ATOM 0 HB1 ALA A 41 -11.246 -2.173 3.678 1.00 52.32 H new ATOM 0 HB2 ALA A 41 -10.203 -0.745 3.478 1.00 52.32 H new ATOM 0 HB3 ALA A 41 -11.955 -0.614 3.197 1.00 52.32 H new ATOM 681 N HIS A 42 -13.175 -1.680 0.789 1.00 21.01 N ATOM 682 CA HIS A 42 -14.420 -2.318 0.414 1.00 0.25 C ATOM 683 C HIS A 42 -14.195 -3.010 -0.921 1.00 4.34 C ATOM 684 O HIS A 42 -14.437 -4.211 -1.006 1.00 63.20 O ATOM 685 CB HIS A 42 -15.620 -1.348 0.393 1.00 23.24 C ATOM 686 CG HIS A 42 -16.061 -0.719 -0.908 1.00 72.43 C ATOM 687 ND1 HIS A 42 -15.389 0.208 -1.672 1.00 51.50 N ATOM 688 CD2 HIS A 42 -17.274 -0.934 -1.507 1.00 23.43 C ATOM 689 CE1 HIS A 42 -16.170 0.534 -2.712 1.00 13.22 C ATOM 690 NE2 HIS A 42 -17.345 -0.111 -2.631 1.00 60.03 N ATOM 0 H HIS A 42 -13.225 -0.662 0.832 1.00 21.01 H new ATOM 0 HA HIS A 42 -14.695 -3.052 1.171 1.00 0.25 H new ATOM 0 HB2 HIS A 42 -16.477 -1.884 0.801 1.00 23.24 H new ATOM 0 HB3 HIS A 42 -15.393 -0.537 1.085 1.00 23.24 H new ATOM 0 HD1 HIS A 42 -14.459 0.582 -1.480 1.00 51.50 H new ATOM 0 HD2 HIS A 42 -18.038 -1.618 -1.169 1.00 23.43 H new ATOM 0 HE1 HIS A 42 -15.894 1.217 -3.501 1.00 13.22 H new ATOM 698 N ALA A 43 -13.645 -2.273 -1.895 1.00 21.43 N ATOM 699 CA ALA A 43 -13.518 -2.697 -3.290 1.00 2.13 C ATOM 700 C ALA A 43 -12.439 -3.766 -3.474 1.00 75.44 C ATOM 701 O ALA A 43 -12.384 -4.435 -4.508 1.00 32.05 O ATOM 702 CB ALA A 43 -13.186 -1.485 -4.162 1.00 24.32 C ATOM 0 H ALA A 43 -13.267 -1.341 -1.727 1.00 21.43 H new ATOM 0 HA ALA A 43 -14.471 -3.134 -3.590 1.00 2.13 H new ATOM 0 HB1 ALA A 43 -13.091 -1.800 -5.201 1.00 24.32 H new ATOM 0 HB2 ALA A 43 -13.983 -0.747 -4.078 1.00 24.32 H new ATOM 0 HB3 ALA A 43 -12.246 -1.044 -3.829 1.00 24.32 H new ATOM 708 N LEU A 44 -11.588 -3.945 -2.463 1.00 52.41 N ATOM 709 CA LEU A 44 -10.569 -4.979 -2.411 1.00 13.13 C ATOM 710 C LEU A 44 -10.958 -6.048 -1.397 1.00 51.52 C ATOM 711 O LEU A 44 -10.126 -6.877 -1.041 1.00 63.11 O ATOM 712 CB LEU A 44 -9.200 -4.363 -2.102 1.00 74.01 C ATOM 713 CG LEU A 44 -8.731 -3.314 -3.122 1.00 12.34 C ATOM 714 CD1 LEU A 44 -7.329 -2.856 -2.734 1.00 23.41 C ATOM 715 CD2 LEU A 44 -8.704 -3.849 -4.558 1.00 74.10 C ATOM 0 H LEU A 44 -11.594 -3.352 -1.633 1.00 52.41 H new ATOM 0 HA LEU A 44 -10.495 -5.462 -3.385 1.00 13.13 H new ATOM 0 HB2 LEU A 44 -9.237 -3.901 -1.115 1.00 74.01 H new ATOM 0 HB3 LEU A 44 -8.459 -5.161 -2.053 1.00 74.01 H new ATOM 0 HG LEU A 44 -9.443 -2.489 -3.101 1.00 12.34 H new ATOM 0 HD11 LEU A 44 -6.979 -2.110 -3.448 1.00 23.41 H new ATOM 0 HD12 LEU A 44 -7.352 -2.420 -1.735 1.00 23.41 H new ATOM 0 HD13 LEU A 44 -6.652 -3.710 -2.741 1.00 23.41 H new ATOM 0 HD21 LEU A 44 -8.365 -3.063 -5.233 1.00 74.10 H new ATOM 0 HD22 LEU A 44 -8.022 -4.697 -4.617 1.00 74.10 H new ATOM 0 HD23 LEU A 44 -9.706 -4.168 -4.846 1.00 74.10 H new ATOM 727 N LYS A 45 -12.210 -6.043 -0.925 1.00 22.35 N ATOM 728 CA LYS A 45 -12.805 -7.103 -0.121 1.00 42.40 C ATOM 729 C LYS A 45 -12.018 -7.376 1.169 1.00 3.13 C ATOM 730 O LYS A 45 -12.110 -8.467 1.729 1.00 41.23 O ATOM 731 CB LYS A 45 -12.984 -8.320 -1.050 1.00 31.21 C ATOM 732 CG LYS A 45 -14.380 -8.949 -1.044 1.00 13.55 C ATOM 733 CD LYS A 45 -14.592 -9.944 0.100 1.00 22.05 C ATOM 734 CE LYS A 45 -15.872 -10.784 -0.052 1.00 14.53 C ATOM 735 NZ LYS A 45 -15.898 -11.588 -1.289 1.00 34.22 N ATOM 0 H LYS A 45 -12.854 -5.272 -1.101 1.00 22.35 H new ATOM 0 HA LYS A 45 -13.783 -6.811 0.261 1.00 42.40 H new ATOM 0 HB2 LYS A 45 -12.745 -8.016 -2.069 1.00 31.21 H new ATOM 0 HB3 LYS A 45 -12.259 -9.083 -0.766 1.00 31.21 H new ATOM 0 HG2 LYS A 45 -15.127 -8.158 -0.971 1.00 13.55 H new ATOM 0 HG3 LYS A 45 -14.546 -9.458 -1.994 1.00 13.55 H new ATOM 0 HD2 LYS A 45 -13.732 -10.612 0.155 1.00 22.05 H new ATOM 0 HD3 LYS A 45 -14.633 -9.399 1.043 1.00 22.05 H new ATOM 0 HE2 LYS A 45 -15.967 -11.448 0.807 1.00 14.53 H new ATOM 0 HE3 LYS A 45 -16.737 -10.121 -0.039 1.00 14.53 H new ATOM 0 HZ1 LYS A 45 -16.632 -12.321 -1.211 1.00 34.22 H new ATOM 0 HZ2 LYS A 45 -16.109 -10.971 -2.099 1.00 34.22 H new ATOM 0 HZ3 LYS A 45 -14.971 -12.039 -1.429 1.00 34.22 H new ATOM 749 N LEU A 46 -11.242 -6.402 1.642 1.00 61.40 N ATOM 750 CA LEU A 46 -10.341 -6.475 2.792 1.00 15.25 C ATOM 751 C LEU A 46 -10.911 -5.584 3.889 1.00 55.02 C ATOM 752 O LEU A 46 -11.705 -4.686 3.610 1.00 4.35 O ATOM 753 CB LEU A 46 -8.944 -5.967 2.382 1.00 23.11 C ATOM 754 CG LEU A 46 -8.035 -7.051 1.765 1.00 42.53 C ATOM 755 CD1 LEU A 46 -6.971 -6.371 0.900 1.00 14.15 C ATOM 756 CD2 LEU A 46 -7.313 -7.879 2.840 1.00 21.32 C ATOM 0 H LEU A 46 -11.225 -5.481 1.204 1.00 61.40 H new ATOM 0 HA LEU A 46 -10.251 -7.502 3.146 1.00 15.25 H new ATOM 0 HB2 LEU A 46 -9.061 -5.155 1.665 1.00 23.11 H new ATOM 0 HB3 LEU A 46 -8.449 -5.549 3.259 1.00 23.11 H new ATOM 0 HG LEU A 46 -8.667 -7.718 1.179 1.00 42.53 H new ATOM 0 HD11 LEU A 46 -6.323 -7.128 0.459 1.00 14.15 H new ATOM 0 HD12 LEU A 46 -7.456 -5.802 0.107 1.00 14.15 H new ATOM 0 HD13 LEU A 46 -6.376 -5.698 1.517 1.00 14.15 H new ATOM 0 HD21 LEU A 46 -6.685 -8.629 2.360 1.00 21.32 H new ATOM 0 HD22 LEU A 46 -6.692 -7.222 3.449 1.00 21.32 H new ATOM 0 HD23 LEU A 46 -8.049 -8.374 3.474 1.00 21.32 H new ATOM 768 N SER A 47 -10.484 -5.775 5.138 1.00 34.14 N ATOM 769 CA SER A 47 -10.931 -4.894 6.209 1.00 51.01 C ATOM 770 C SER A 47 -10.196 -3.556 6.104 1.00 12.43 C ATOM 771 O SER A 47 -9.027 -3.520 5.707 1.00 72.24 O ATOM 772 CB SER A 47 -10.695 -5.553 7.570 1.00 34.54 C ATOM 773 OG SER A 47 -11.386 -4.872 8.602 1.00 63.13 O ATOM 0 H SER A 47 -9.844 -6.515 5.426 1.00 34.14 H new ATOM 0 HA SER A 47 -12.001 -4.711 6.112 1.00 51.01 H new ATOM 0 HB2 SER A 47 -11.023 -6.592 7.535 1.00 34.54 H new ATOM 0 HB3 SER A 47 -9.628 -5.563 7.790 1.00 34.54 H new ATOM 0 HG SER A 47 -11.217 -5.318 9.458 1.00 63.13 H new ATOM 779 N GLU A 48 -10.826 -2.481 6.590 1.00 22.25 N ATOM 780 CA GLU A 48 -10.215 -1.160 6.745 1.00 62.22 C ATOM 781 C GLU A 48 -8.889 -1.228 7.515 1.00 13.01 C ATOM 782 O GLU A 48 -8.015 -0.375 7.331 1.00 60.12 O ATOM 783 CB GLU A 48 -11.141 -0.214 7.530 1.00 61.34 C ATOM 784 CG GLU A 48 -12.435 0.215 6.831 1.00 42.02 C ATOM 785 CD GLU A 48 -13.123 1.386 7.561 1.00 0.22 C ATOM 786 OE1 GLU A 48 -12.489 2.465 7.720 1.00 74.24 O ATOM 787 OE2 GLU A 48 -14.289 1.254 7.985 1.00 75.20 O ATOM 0 H GLU A 48 -11.799 -2.508 6.894 1.00 22.25 H new ATOM 0 HA GLU A 48 -10.042 -0.790 5.735 1.00 62.22 H new ATOM 0 HB2 GLU A 48 -11.406 -0.699 8.470 1.00 61.34 H new ATOM 0 HB3 GLU A 48 -10.576 0.684 7.782 1.00 61.34 H new ATOM 0 HG2 GLU A 48 -12.213 0.507 5.805 1.00 42.02 H new ATOM 0 HG3 GLU A 48 -13.118 -0.633 6.780 1.00 42.02 H new ATOM 794 N VAL A 49 -8.752 -2.190 8.433 1.00 44.43 N ATOM 795 CA VAL A 49 -7.539 -2.341 9.233 1.00 2.45 C ATOM 796 C VAL A 49 -6.415 -2.932 8.383 1.00 55.24 C ATOM 797 O VAL A 49 -5.295 -2.427 8.408 1.00 3.25 O ATOM 798 CB VAL A 49 -7.814 -3.173 10.498 1.00 34.33 C ATOM 799 CG1 VAL A 49 -6.551 -3.293 11.360 1.00 53.40 C ATOM 800 CG2 VAL A 49 -8.910 -2.520 11.350 1.00 60.52 C ATOM 0 H VAL A 49 -9.475 -2.880 8.639 1.00 44.43 H new ATOM 0 HA VAL A 49 -7.212 -1.357 9.570 1.00 2.45 H new ATOM 0 HB VAL A 49 -8.134 -4.162 10.169 1.00 34.33 H new ATOM 0 HG11 VAL A 49 -6.771 -3.885 12.248 1.00 53.40 H new ATOM 0 HG12 VAL A 49 -5.763 -3.780 10.785 1.00 53.40 H new ATOM 0 HG13 VAL A 49 -6.220 -2.299 11.660 1.00 53.40 H new ATOM 0 HG21 VAL A 49 -9.088 -3.125 12.239 1.00 60.52 H new ATOM 0 HG22 VAL A 49 -8.592 -1.521 11.648 1.00 60.52 H new ATOM 0 HG23 VAL A 49 -9.829 -2.450 10.769 1.00 60.52 H new ATOM 810 N GLN A 50 -6.704 -3.969 7.594 1.00 3.41 N ATOM 811 CA GLN A 50 -5.714 -4.616 6.747 1.00 31.22 C ATOM 812 C GLN A 50 -5.062 -3.569 5.833 1.00 53.04 C ATOM 813 O GLN A 50 -3.835 -3.535 5.712 1.00 51.24 O ATOM 814 CB GLN A 50 -6.374 -5.757 5.947 1.00 15.24 C ATOM 815 CG GLN A 50 -7.187 -6.768 6.784 1.00 51.10 C ATOM 816 CD GLN A 50 -6.621 -8.185 6.791 1.00 44.24 C ATOM 817 OE1 GLN A 50 -7.233 -9.111 6.265 1.00 43.23 O ATOM 818 NE2 GLN A 50 -5.474 -8.396 7.414 1.00 35.15 N ATOM 0 H GLN A 50 -7.635 -4.381 7.528 1.00 3.41 H new ATOM 0 HA GLN A 50 -4.928 -5.060 7.358 1.00 31.22 H new ATOM 0 HB2 GLN A 50 -7.033 -5.319 5.197 1.00 15.24 H new ATOM 0 HB3 GLN A 50 -5.596 -6.299 5.410 1.00 15.24 H new ATOM 0 HG2 GLN A 50 -7.243 -6.408 7.811 1.00 51.10 H new ATOM 0 HG3 GLN A 50 -8.207 -6.800 6.401 1.00 51.10 H new ATOM 0 HE21 GLN A 50 -4.977 -7.617 7.846 1.00 35.15 H new ATOM 0 HE22 GLN A 50 -5.086 -9.338 7.463 1.00 35.15 H new ATOM 827 N VAL A 51 -5.876 -2.683 5.249 1.00 14.03 N ATOM 828 CA VAL A 51 -5.423 -1.583 4.407 1.00 74.30 C ATOM 829 C VAL A 51 -4.588 -0.574 5.211 1.00 60.41 C ATOM 830 O VAL A 51 -3.540 -0.150 4.722 1.00 44.11 O ATOM 831 CB VAL A 51 -6.640 -0.947 3.698 1.00 12.45 C ATOM 832 CG1 VAL A 51 -6.249 0.217 2.778 1.00 53.52 C ATOM 833 CG2 VAL A 51 -7.362 -1.994 2.835 1.00 23.45 C ATOM 0 H VAL A 51 -6.890 -2.716 5.354 1.00 14.03 H new ATOM 0 HA VAL A 51 -4.754 -1.961 3.633 1.00 74.30 H new ATOM 0 HB VAL A 51 -7.286 -0.570 4.491 1.00 12.45 H new ATOM 0 HG11 VAL A 51 -7.143 0.625 2.307 1.00 53.52 H new ATOM 0 HG12 VAL A 51 -5.760 0.996 3.364 1.00 53.52 H new ATOM 0 HG13 VAL A 51 -5.565 -0.141 2.009 1.00 53.52 H new ATOM 0 HG21 VAL A 51 -8.217 -1.532 2.342 1.00 23.45 H new ATOM 0 HG22 VAL A 51 -6.675 -2.382 2.083 1.00 23.45 H new ATOM 0 HG23 VAL A 51 -7.707 -2.812 3.468 1.00 23.45 H new ATOM 843 N LYS A 52 -4.980 -0.198 6.441 1.00 15.12 N ATOM 844 CA LYS A 52 -4.206 0.782 7.216 1.00 61.42 C ATOM 845 C LYS A 52 -2.793 0.284 7.493 1.00 53.33 C ATOM 846 O LYS A 52 -1.872 1.098 7.579 1.00 11.44 O ATOM 847 CB LYS A 52 -4.924 1.226 8.504 1.00 43.03 C ATOM 848 CG LYS A 52 -4.583 0.533 9.821 1.00 41.23 C ATOM 849 CD LYS A 52 -5.680 0.816 10.862 1.00 23.13 C ATOM 850 CE LYS A 52 -5.063 1.229 12.182 1.00 42.31 C ATOM 851 NZ LYS A 52 -6.063 1.292 13.270 1.00 75.40 N ATOM 0 H LYS A 52 -5.813 -0.551 6.911 1.00 15.12 H new ATOM 0 HA LYS A 52 -4.123 1.674 6.595 1.00 61.42 H new ATOM 0 HB2 LYS A 52 -4.735 2.291 8.635 1.00 43.03 H new ATOM 0 HB3 LYS A 52 -5.995 1.110 8.340 1.00 43.03 H new ATOM 0 HG2 LYS A 52 -4.488 -0.541 9.663 1.00 41.23 H new ATOM 0 HG3 LYS A 52 -3.620 0.887 10.189 1.00 41.23 H new ATOM 0 HD2 LYS A 52 -6.339 1.605 10.499 1.00 23.13 H new ATOM 0 HD3 LYS A 52 -6.294 -0.073 11.003 1.00 23.13 H new ATOM 0 HE2 LYS A 52 -4.279 0.522 12.452 1.00 42.31 H new ATOM 0 HE3 LYS A 52 -4.588 2.204 12.070 1.00 42.31 H new ATOM 0 HZ1 LYS A 52 -5.596 1.578 14.154 1.00 75.40 H new ATOM 0 HZ2 LYS A 52 -6.798 1.986 13.026 1.00 75.40 H new ATOM 0 HZ3 LYS A 52 -6.498 0.356 13.396 1.00 75.40 H new ATOM 865 N ILE A 53 -2.620 -1.026 7.663 1.00 12.14 N ATOM 866 CA ILE A 53 -1.317 -1.621 7.907 1.00 0.21 C ATOM 867 C ILE A 53 -0.520 -1.656 6.602 1.00 60.11 C ATOM 868 O ILE A 53 0.697 -1.476 6.634 1.00 75.51 O ATOM 869 CB ILE A 53 -1.479 -3.013 8.553 1.00 71.43 C ATOM 870 CG1 ILE A 53 -2.210 -2.933 9.909 1.00 13.04 C ATOM 871 CG2 ILE A 53 -0.105 -3.666 8.778 1.00 53.32 C ATOM 872 CD1 ILE A 53 -2.911 -4.233 10.285 1.00 74.42 C ATOM 0 H ILE A 53 -3.384 -1.701 7.634 1.00 12.14 H new ATOM 0 HA ILE A 53 -0.752 -1.015 8.615 1.00 0.21 H new ATOM 0 HB ILE A 53 -2.074 -3.613 7.865 1.00 71.43 H new ATOM 0 HG12 ILE A 53 -1.492 -2.675 10.688 1.00 13.04 H new ATOM 0 HG13 ILE A 53 -2.944 -2.128 9.873 1.00 13.04 H new ATOM 0 HG21 ILE A 53 -0.239 -4.647 9.234 1.00 53.32 H new ATOM 0 HG22 ILE A 53 0.406 -3.777 7.822 1.00 53.32 H new ATOM 0 HG23 ILE A 53 0.493 -3.037 9.438 1.00 53.32 H new ATOM 0 HD11 ILE A 53 -3.407 -4.114 11.248 1.00 74.42 H new ATOM 0 HD12 ILE A 53 -3.651 -4.480 9.524 1.00 74.42 H new ATOM 0 HD13 ILE A 53 -2.177 -5.036 10.352 1.00 74.42 H new ATOM 884 N TRP A 54 -1.164 -1.832 5.449 1.00 64.42 N ATOM 885 CA TRP A 54 -0.432 -1.822 4.194 1.00 15.14 C ATOM 886 C TRP A 54 0.104 -0.419 3.899 1.00 4.31 C ATOM 887 O TRP A 54 1.310 -0.248 3.712 1.00 40.35 O ATOM 888 CB TRP A 54 -1.294 -2.382 3.065 1.00 64.45 C ATOM 889 CG TRP A 54 -0.465 -2.942 1.956 1.00 33.14 C ATOM 890 CD1 TRP A 54 -0.233 -4.255 1.746 1.00 62.41 C ATOM 891 CD2 TRP A 54 0.251 -2.232 0.902 1.00 2.51 C ATOM 892 NE1 TRP A 54 0.590 -4.408 0.649 1.00 1.42 N ATOM 893 CE2 TRP A 54 0.940 -3.192 0.103 1.00 13.40 C ATOM 894 CE3 TRP A 54 0.367 -0.878 0.524 1.00 43.42 C ATOM 895 CZ2 TRP A 54 1.756 -2.823 -0.976 1.00 34.10 C ATOM 896 CZ3 TRP A 54 1.177 -0.495 -0.559 1.00 41.55 C ATOM 897 CH2 TRP A 54 1.892 -1.460 -1.288 1.00 35.34 C ATOM 0 H TRP A 54 -2.169 -1.980 5.362 1.00 64.42 H new ATOM 0 HA TRP A 54 0.435 -2.477 4.277 1.00 15.14 H new ATOM 0 HB2 TRP A 54 -1.947 -3.161 3.459 1.00 64.45 H new ATOM 0 HB3 TRP A 54 -1.938 -1.594 2.675 1.00 64.45 H new ATOM 0 HD1 TRP A 54 -0.630 -5.062 2.344 1.00 62.41 H new ATOM 0 HE1 TRP A 54 0.901 -5.310 0.287 1.00 1.42 H new ATOM 0 HE3 TRP A 54 -0.175 -0.124 1.075 1.00 43.42 H new ATOM 0 HZ2 TRP A 54 2.271 -3.574 -1.557 1.00 34.10 H new ATOM 0 HZ3 TRP A 54 1.250 0.547 -0.832 1.00 41.55 H new ATOM 0 HH2 TRP A 54 2.547 -1.153 -2.090 1.00 35.34 H new ATOM 908 N PHE A 55 -0.768 0.596 3.911 1.00 11.41 N ATOM 909 CA PHE A 55 -0.389 1.963 3.551 1.00 61.30 C ATOM 910 C PHE A 55 0.705 2.527 4.463 1.00 1.23 C ATOM 911 O PHE A 55 1.563 3.269 3.977 1.00 51.30 O ATOM 912 CB PHE A 55 -1.617 2.884 3.534 1.00 51.34 C ATOM 913 CG PHE A 55 -2.324 2.954 2.193 1.00 73.44 C ATOM 914 CD1 PHE A 55 -3.289 1.990 1.850 1.00 52.33 C ATOM 915 CD2 PHE A 55 -2.024 3.989 1.283 1.00 33.02 C ATOM 916 CE1 PHE A 55 -3.961 2.070 0.618 1.00 63.41 C ATOM 917 CE2 PHE A 55 -2.690 4.061 0.046 1.00 61.22 C ATOM 918 CZ PHE A 55 -3.661 3.102 -0.284 1.00 60.23 C ATOM 0 H PHE A 55 -1.749 0.492 4.169 1.00 11.41 H new ATOM 0 HA PHE A 55 0.029 1.922 2.545 1.00 61.30 H new ATOM 0 HB2 PHE A 55 -2.325 2.540 4.288 1.00 51.34 H new ATOM 0 HB3 PHE A 55 -1.308 3.889 3.822 1.00 51.34 H new ATOM 0 HD1 PHE A 55 -3.514 1.186 2.535 1.00 52.33 H new ATOM 0 HD2 PHE A 55 -1.280 4.729 1.537 1.00 33.02 H new ATOM 0 HE1 PHE A 55 -4.711 1.335 0.365 1.00 63.41 H new ATOM 0 HE2 PHE A 55 -2.455 4.853 -0.649 1.00 61.22 H new ATOM 0 HZ PHE A 55 -4.177 3.159 -1.231 1.00 60.23 H new ATOM 928 N GLN A 56 0.715 2.184 5.759 1.00 33.32 N ATOM 929 CA GLN A 56 1.809 2.581 6.645 1.00 71.14 C ATOM 930 C GLN A 56 3.119 1.896 6.255 1.00 1.24 C ATOM 931 O GLN A 56 4.157 2.556 6.174 1.00 72.25 O ATOM 932 CB GLN A 56 1.464 2.373 8.124 1.00 43.13 C ATOM 933 CG GLN A 56 1.332 0.937 8.567 1.00 52.22 C ATOM 934 CD GLN A 56 0.796 0.805 9.986 1.00 32.21 C ATOM 935 OE1 GLN A 56 1.530 0.581 10.940 1.00 43.31 O ATOM 936 NE2 GLN A 56 -0.508 0.914 10.158 1.00 52.03 N ATOM 0 H GLN A 56 -0.018 1.637 6.211 1.00 33.32 H new ATOM 0 HA GLN A 56 1.955 3.653 6.515 1.00 71.14 H new ATOM 0 HB2 GLN A 56 2.234 2.852 8.729 1.00 43.13 H new ATOM 0 HB3 GLN A 56 0.527 2.887 8.336 1.00 43.13 H new ATOM 0 HG2 GLN A 56 0.668 0.410 7.882 1.00 52.22 H new ATOM 0 HG3 GLN A 56 2.306 0.451 8.504 1.00 52.22 H new ATOM 0 HE21 GLN A 56 -1.114 1.101 9.359 1.00 52.03 H new ATOM 0 HE22 GLN A 56 -0.910 0.812 11.090 1.00 52.03 H new ATOM 945 N ASN A 57 3.070 0.588 5.987 1.00 13.24 N ATOM 946 CA ASN A 57 4.254 -0.222 5.773 1.00 11.23 C ATOM 947 C ASN A 57 5.020 0.265 4.559 1.00 22.00 C ATOM 948 O ASN A 57 6.248 0.189 4.542 1.00 62.33 O ATOM 949 CB ASN A 57 3.867 -1.695 5.587 1.00 41.04 C ATOM 950 CG ASN A 57 4.032 -2.450 6.888 1.00 31.30 C ATOM 951 OD1 ASN A 57 5.021 -3.155 7.060 1.00 14.40 O ATOM 952 ND2 ASN A 57 3.082 -2.333 7.796 1.00 4.30 N ATOM 0 H ASN A 57 2.197 0.066 5.914 1.00 13.24 H new ATOM 0 HA ASN A 57 4.893 -0.131 6.652 1.00 11.23 H new ATOM 0 HB2 ASN A 57 2.834 -1.766 5.246 1.00 41.04 H new ATOM 0 HB3 ASN A 57 4.490 -2.147 4.815 1.00 41.04 H new ATOM 0 HD21 ASN A 57 3.155 -2.839 8.679 1.00 4.30 H new ATOM 0 HD22 ASN A 57 2.275 -1.736 7.615 1.00 4.30 H new ATOM 959 N GLU A 58 4.298 0.739 3.549 1.00 23.33 N ATOM 960 CA GLU A 58 4.886 1.191 2.300 1.00 4.43 C ATOM 961 C GLU A 58 5.367 2.628 2.444 1.00 74.31 C ATOM 962 O GLU A 58 6.486 2.919 2.027 1.00 24.03 O ATOM 963 CB GLU A 58 3.883 1.019 1.161 1.00 13.54 C ATOM 964 CG GLU A 58 4.506 1.137 -0.246 1.00 41.13 C ATOM 965 CD GLU A 58 5.560 0.069 -0.583 1.00 74.34 C ATOM 966 OE1 GLU A 58 5.250 -1.145 -0.568 1.00 60.43 O ATOM 967 OE2 GLU A 58 6.723 0.429 -0.884 1.00 63.23 O ATOM 0 H GLU A 58 3.282 0.820 3.578 1.00 23.33 H new ATOM 0 HA GLU A 58 5.757 0.583 2.056 1.00 4.43 H new ATOM 0 HB2 GLU A 58 3.405 0.044 1.255 1.00 13.54 H new ATOM 0 HB3 GLU A 58 3.099 1.769 1.264 1.00 13.54 H new ATOM 0 HG2 GLU A 58 3.707 1.084 -0.986 1.00 41.13 H new ATOM 0 HG3 GLU A 58 4.964 2.121 -0.342 1.00 41.13 H new ATOM 974 N ARG A 59 4.600 3.511 3.107 1.00 0.44 N ATOM 975 CA ARG A 59 5.049 4.889 3.333 1.00 51.44 C ATOM 976 C ARG A 59 6.430 4.893 3.957 1.00 13.10 C ATOM 977 O ARG A 59 7.280 5.681 3.546 1.00 44.42 O ATOM 978 CB ARG A 59 4.071 5.714 4.198 1.00 53.15 C ATOM 979 CG ARG A 59 3.672 7.023 3.497 1.00 52.23 C ATOM 980 CD ARG A 59 3.057 8.056 4.445 1.00 11.55 C ATOM 981 NE ARG A 59 4.087 8.769 5.219 1.00 63.02 N ATOM 982 CZ ARG A 59 3.959 9.982 5.770 1.00 43.42 C ATOM 983 NH1 ARG A 59 2.779 10.592 5.845 1.00 40.10 N ATOM 984 NH2 ARG A 59 5.046 10.571 6.241 1.00 61.22 N ATOM 0 H ARG A 59 3.679 3.296 3.490 1.00 0.44 H new ATOM 0 HA ARG A 59 5.083 5.370 2.356 1.00 51.44 H new ATOM 0 HB2 ARG A 59 3.179 5.123 4.405 1.00 53.15 H new ATOM 0 HB3 ARG A 59 4.534 5.940 5.159 1.00 53.15 H new ATOM 0 HG2 ARG A 59 4.553 7.455 3.022 1.00 52.23 H new ATOM 0 HG3 ARG A 59 2.959 6.799 2.703 1.00 52.23 H new ATOM 0 HD2 ARG A 59 2.472 8.774 3.870 1.00 11.55 H new ATOM 0 HD3 ARG A 59 2.369 7.558 5.128 1.00 11.55 H new ATOM 0 HE ARG A 59 4.981 8.295 5.347 1.00 63.02 H new ATOM 0 HH11 ARG A 59 1.944 10.135 5.478 1.00 40.10 H new ATOM 0 HH12 ARG A 59 2.709 11.517 6.270 1.00 40.10 H new ATOM 0 HH21 ARG A 59 5.949 10.101 6.178 1.00 61.22 H new ATOM 0 HH22 ARG A 59 4.981 11.496 6.667 1.00 61.22 H new ATOM 998 N ALA A 60 6.639 4.023 4.938 1.00 1.20 N ATOM 999 CA ALA A 60 7.872 4.018 5.698 1.00 35.20 C ATOM 1000 C ALA A 60 8.987 3.373 4.873 1.00 2.11 C ATOM 1001 O ALA A 60 10.080 3.939 4.804 1.00 22.13 O ATOM 1002 CB ALA A 60 7.647 3.295 7.029 1.00 44.41 C ATOM 0 H ALA A 60 5.965 3.312 5.222 1.00 1.20 H new ATOM 0 HA ALA A 60 8.181 5.039 5.921 1.00 35.20 H new ATOM 0 HB1 ALA A 60 8.574 3.291 7.602 1.00 44.41 H new ATOM 0 HB2 ALA A 60 6.872 3.810 7.597 1.00 44.41 H new ATOM 0 HB3 ALA A 60 7.334 2.269 6.837 1.00 44.41 H new ATOM 1008 N LYS A 61 8.747 2.221 4.232 1.00 31.32 N ATOM 1009 CA LYS A 61 9.800 1.544 3.472 1.00 24.11 C ATOM 1010 C LYS A 61 10.224 2.397 2.284 1.00 0.42 C ATOM 1011 O LYS A 61 11.418 2.611 2.090 1.00 11.13 O ATOM 1012 CB LYS A 61 9.417 0.097 3.113 1.00 61.41 C ATOM 1013 CG LYS A 61 8.795 -0.158 1.732 1.00 54.53 C ATOM 1014 CD LYS A 61 8.308 -1.612 1.632 1.00 4.14 C ATOM 1015 CE LYS A 61 8.231 -2.084 0.181 1.00 41.23 C ATOM 1016 NZ LYS A 61 7.136 -3.046 -0.041 1.00 1.31 N ATOM 0 H LYS A 61 7.845 1.746 4.225 1.00 31.32 H new ATOM 0 HA LYS A 61 10.682 1.439 4.104 1.00 24.11 H new ATOM 0 HB2 LYS A 61 10.314 -0.517 3.195 1.00 61.41 H new ATOM 0 HB3 LYS A 61 8.716 -0.261 3.867 1.00 61.41 H new ATOM 0 HG2 LYS A 61 7.961 0.525 1.568 1.00 54.53 H new ATOM 0 HG3 LYS A 61 9.529 0.042 0.951 1.00 54.53 H new ATOM 0 HD2 LYS A 61 8.983 -2.261 2.190 1.00 4.14 H new ATOM 0 HD3 LYS A 61 7.325 -1.699 2.096 1.00 4.14 H new ATOM 0 HE2 LYS A 61 8.091 -1.222 -0.471 1.00 41.23 H new ATOM 0 HE3 LYS A 61 9.178 -2.545 -0.099 1.00 41.23 H new ATOM 0 HZ1 LYS A 61 7.448 -3.778 -0.711 1.00 1.31 H new ATOM 0 HZ2 LYS A 61 6.876 -3.491 0.862 1.00 1.31 H new ATOM 0 HZ3 LYS A 61 6.311 -2.548 -0.432 1.00 1.31 H new ATOM 1030 N TRP A 62 9.271 2.979 1.552 1.00 54.14 N ATOM 1031 CA TRP A 62 9.594 3.857 0.442 1.00 12.11 C ATOM 1032 C TRP A 62 10.350 5.090 0.948 1.00 53.22 C ATOM 1033 O TRP A 62 11.251 5.588 0.279 1.00 40.35 O ATOM 1034 CB TRP A 62 8.338 4.201 -0.373 1.00 51.41 C ATOM 1035 CG TRP A 62 8.584 4.486 -1.826 1.00 53.42 C ATOM 1036 CD1 TRP A 62 8.395 3.602 -2.834 1.00 31.04 C ATOM 1037 CD2 TRP A 62 9.139 5.681 -2.455 1.00 4.41 C ATOM 1038 NE1 TRP A 62 8.830 4.150 -4.026 1.00 54.44 N ATOM 1039 CE2 TRP A 62 9.307 5.430 -3.849 1.00 33.04 C ATOM 1040 CE3 TRP A 62 9.543 6.946 -1.983 1.00 1.43 C ATOM 1041 CZ2 TRP A 62 9.867 6.377 -4.720 1.00 32.12 C ATOM 1042 CZ3 TRP A 62 10.130 7.898 -2.841 1.00 73.31 C ATOM 1043 CH2 TRP A 62 10.295 7.613 -4.208 1.00 24.10 C ATOM 0 H TRP A 62 8.272 2.854 1.714 1.00 54.14 H new ATOM 0 HA TRP A 62 10.261 3.340 -0.247 1.00 12.11 H new ATOM 0 HB2 TRP A 62 7.634 3.373 -0.295 1.00 51.41 H new ATOM 0 HB3 TRP A 62 7.858 5.071 0.076 1.00 51.41 H new ATOM 0 HD1 TRP A 62 7.968 2.616 -2.723 1.00 31.04 H new ATOM 0 HE1 TRP A 62 8.801 3.667 -4.924 1.00 54.44 H new ATOM 0 HE3 TRP A 62 9.400 7.191 -0.941 1.00 1.43 H new ATOM 0 HZ2 TRP A 62 9.968 6.158 -5.773 1.00 32.12 H new ATOM 0 HZ3 TRP A 62 10.454 8.850 -2.447 1.00 73.31 H new ATOM 0 HH2 TRP A 62 10.749 8.342 -4.862 1.00 24.10 H new ATOM 1054 N LYS A 63 10.074 5.568 2.169 1.00 44.23 N ATOM 1055 CA LYS A 63 10.867 6.653 2.755 1.00 34.41 C ATOM 1056 C LYS A 63 12.314 6.262 3.094 1.00 34.14 C ATOM 1057 O LYS A 63 13.086 7.160 3.436 1.00 34.30 O ATOM 1058 CB LYS A 63 10.134 7.266 3.962 1.00 43.42 C ATOM 1059 CG LYS A 63 9.145 8.369 3.523 1.00 63.45 C ATOM 1060 CD LYS A 63 9.381 9.692 4.251 1.00 42.12 C ATOM 1061 CE LYS A 63 10.755 10.298 3.923 1.00 3.40 C ATOM 1062 NZ LYS A 63 10.932 11.651 4.495 1.00 31.01 N ATOM 0 H LYS A 63 9.318 5.225 2.762 1.00 44.23 H new ATOM 0 HA LYS A 63 10.963 7.415 1.982 1.00 34.41 H new ATOM 0 HB2 LYS A 63 9.595 6.484 4.497 1.00 43.42 H new ATOM 0 HB3 LYS A 63 10.862 7.684 4.657 1.00 43.42 H new ATOM 0 HG2 LYS A 63 9.237 8.528 2.449 1.00 63.45 H new ATOM 0 HG3 LYS A 63 8.125 8.033 3.709 1.00 63.45 H new ATOM 0 HD2 LYS A 63 8.599 10.400 3.977 1.00 42.12 H new ATOM 0 HD3 LYS A 63 9.304 9.532 5.326 1.00 42.12 H new ATOM 0 HE2 LYS A 63 11.538 9.642 4.304 1.00 3.40 H new ATOM 0 HE3 LYS A 63 10.878 10.346 2.841 1.00 3.40 H new ATOM 0 HZ1 LYS A 63 11.874 12.013 4.244 1.00 31.01 H new ATOM 0 HZ2 LYS A 63 10.203 12.287 4.113 1.00 31.01 H new ATOM 0 HZ3 LYS A 63 10.843 11.605 5.530 1.00 31.01 H new ATOM 1076 N ARG A 64 12.727 4.994 2.975 1.00 24.14 N ATOM 1077 CA ARG A 64 14.147 4.623 2.998 1.00 60.04 C ATOM 1078 C ARG A 64 14.795 4.702 1.611 1.00 14.53 C ATOM 1079 O ARG A 64 16.016 4.801 1.500 1.00 41.11 O ATOM 1080 CB ARG A 64 14.343 3.217 3.595 1.00 32.40 C ATOM 1081 CG ARG A 64 13.640 2.994 4.945 1.00 73.02 C ATOM 1082 CD ARG A 64 14.262 1.833 5.741 1.00 4.22 C ATOM 1083 NE ARG A 64 15.288 2.334 6.677 1.00 20.32 N ATOM 1084 CZ ARG A 64 16.521 1.856 6.894 1.00 62.01 C ATOM 1085 NH1 ARG A 64 16.912 0.699 6.368 1.00 21.14 N ATOM 1086 NH2 ARG A 64 17.358 2.554 7.657 1.00 32.02 N ATOM 0 H ARG A 64 12.093 4.203 2.861 1.00 24.14 H new ATOM 0 HA ARG A 64 14.647 5.352 3.636 1.00 60.04 H new ATOM 0 HB2 ARG A 64 13.976 2.479 2.882 1.00 32.40 H new ATOM 0 HB3 ARG A 64 15.410 3.035 3.721 1.00 32.40 H new ATOM 0 HG2 ARG A 64 13.695 3.908 5.536 1.00 73.02 H new ATOM 0 HG3 ARG A 64 12.583 2.789 4.773 1.00 73.02 H new ATOM 0 HD2 ARG A 64 13.484 1.306 6.294 1.00 4.22 H new ATOM 0 HD3 ARG A 64 14.709 1.113 5.055 1.00 4.22 H new ATOM 0 HE ARG A 64 15.024 3.149 7.230 1.00 20.32 H new ATOM 0 HH11 ARG A 64 16.269 0.159 5.788 1.00 21.14 H new ATOM 0 HH12 ARG A 64 17.855 0.351 6.544 1.00 21.14 H new ATOM 0 HH21 ARG A 64 17.058 3.439 8.067 1.00 32.02 H new ATOM 0 HH22 ARG A 64 18.300 2.205 7.832 1.00 32.02 H new ATOM 1100 N ILE A 65 13.988 4.663 0.556 1.00 40.45 N ATOM 1101 CA ILE A 65 14.446 4.649 -0.834 1.00 41.33 C ATOM 1102 C ILE A 65 14.921 6.042 -1.269 1.00 0.14 C ATOM 1103 O ILE A 65 15.858 6.119 -2.054 1.00 61.45 O ATOM 1104 CB ILE A 65 13.340 4.115 -1.780 1.00 2.22 C ATOM 1105 CG1 ILE A 65 12.823 2.732 -1.330 1.00 34.10 C ATOM 1106 CG2 ILE A 65 13.828 4.035 -3.236 1.00 3.30 C ATOM 1107 CD1 ILE A 65 11.614 2.233 -2.120 1.00 71.25 C ATOM 0 H ILE A 65 12.972 4.640 0.643 1.00 40.45 H new ATOM 0 HA ILE A 65 15.296 3.970 -0.900 1.00 41.33 H new ATOM 0 HB ILE A 65 12.518 4.828 -1.727 1.00 2.22 H new ATOM 0 HG12 ILE A 65 13.630 2.006 -1.424 1.00 34.10 H new ATOM 0 HG13 ILE A 65 12.559 2.780 -0.274 1.00 34.10 H new ATOM 0 HG21 ILE A 65 13.025 3.656 -3.869 1.00 3.30 H new ATOM 0 HG22 ILE A 65 14.121 5.028 -3.577 1.00 3.30 H new ATOM 0 HG23 ILE A 65 14.685 3.364 -3.296 1.00 3.30 H new ATOM 0 HD11 ILE A 65 11.312 1.256 -1.744 1.00 71.25 H new ATOM 0 HD12 ILE A 65 10.789 2.937 -2.006 1.00 71.25 H new ATOM 0 HD13 ILE A 65 11.877 2.150 -3.174 1.00 71.25 H new ATOM 1119 N LYS A 66 14.272 7.114 -0.787 1.00 11.31 N ATOM 1120 CA LYS A 66 14.417 8.532 -1.171 1.00 55.55 C ATOM 1121 C LYS A 66 15.831 9.111 -1.005 1.00 4.21 C ATOM 1122 O LYS A 66 16.034 10.048 -0.242 1.00 40.32 O ATOM 1123 CB LYS A 66 13.315 9.363 -0.480 1.00 23.43 C ATOM 1124 CG LYS A 66 13.254 9.289 1.060 1.00 51.33 C ATOM 1125 CD LYS A 66 13.832 10.519 1.778 1.00 20.02 C ATOM 1126 CE LYS A 66 15.100 10.192 2.574 1.00 51.24 C ATOM 1127 NZ LYS A 66 14.883 9.360 3.778 1.00 43.12 N ATOM 0 H LYS A 66 13.571 7.004 -0.055 1.00 11.31 H new ATOM 0 HA LYS A 66 14.274 8.592 -2.250 1.00 55.55 H new ATOM 0 HB2 LYS A 66 13.446 10.407 -0.766 1.00 23.43 H new ATOM 0 HB3 LYS A 66 12.350 9.044 -0.874 1.00 23.43 H new ATOM 0 HG2 LYS A 66 12.215 9.160 1.365 1.00 51.33 H new ATOM 0 HG3 LYS A 66 13.795 8.403 1.391 1.00 51.33 H new ATOM 0 HD2 LYS A 66 14.057 11.292 1.043 1.00 20.02 H new ATOM 0 HD3 LYS A 66 13.080 10.929 2.452 1.00 20.02 H new ATOM 0 HE2 LYS A 66 15.801 9.678 1.917 1.00 51.24 H new ATOM 0 HE3 LYS A 66 15.573 11.126 2.876 1.00 51.24 H new ATOM 0 HZ1 LYS A 66 15.789 8.952 4.086 1.00 43.12 H new ATOM 0 HZ2 LYS A 66 14.491 9.949 4.541 1.00 43.12 H new ATOM 0 HZ3 LYS A 66 14.216 8.594 3.555 1.00 43.12 H new ATOM 1141 N ALA A 67 16.809 8.578 -1.732 1.00 12.12 N ATOM 1142 CA ALA A 67 18.225 8.707 -1.437 1.00 35.31 C ATOM 1143 C ALA A 67 18.703 10.144 -1.362 1.00 0.11 C ATOM 1144 O ALA A 67 19.457 10.472 -0.446 1.00 55.42 O ATOM 1145 CB ALA A 67 19.046 7.983 -2.489 1.00 22.30 C ATOM 0 H ALA A 67 16.627 8.026 -2.570 1.00 12.12 H new ATOM 0 HA ALA A 67 18.364 8.262 -0.452 1.00 35.31 H new ATOM 0 HB1 ALA A 67 20.106 8.086 -2.258 1.00 22.30 H new ATOM 0 HB2 ALA A 67 18.778 6.927 -2.497 1.00 22.30 H new ATOM 0 HB3 ALA A 67 18.845 8.416 -3.469 1.00 22.30 H new ATOM 1151 N GLY A 68 18.274 10.965 -2.322 1.00 21.03 N ATOM 1152 CA GLY A 68 18.638 12.366 -2.432 1.00 75.04 C ATOM 1153 C GLY A 68 17.994 13.166 -1.306 1.00 54.45 C ATOM 1154 O GLY A 68 16.984 13.848 -1.507 1.00 43.43 O ATOM 0 H GLY A 68 17.645 10.657 -3.064 1.00 21.03 H new ATOM 0 HA2 GLY A 68 19.722 12.472 -2.390 1.00 75.04 H new ATOM 0 HA3 GLY A 68 18.317 12.758 -3.397 1.00 75.04 H new ATOM 1158 N ASN A 69 18.556 13.005 -0.114 1.00 34.24 N ATOM 1159 CA ASN A 69 18.182 13.607 1.149 1.00 23.14 C ATOM 1160 C ASN A 69 19.379 13.572 2.106 1.00 3.50 C ATOM 1161 O ASN A 69 19.204 13.512 3.325 1.00 13.10 O ATOM 1162 CB ASN A 69 17.005 12.818 1.745 1.00 2.32 C ATOM 1163 CG ASN A 69 16.317 13.570 2.891 1.00 55.53 C ATOM 1164 OD1 ASN A 69 16.032 12.988 3.939 1.00 62.44 O ATOM 1165 ND2 ASN A 69 16.016 14.848 2.735 1.00 43.53 N ATOM 0 H ASN A 69 19.362 12.390 -0.003 1.00 34.24 H new ATOM 0 HA ASN A 69 17.884 14.644 0.997 1.00 23.14 H new ATOM 0 HB2 ASN A 69 16.276 12.610 0.961 1.00 2.32 H new ATOM 0 HB3 ASN A 69 17.364 11.856 2.110 1.00 2.32 H new ATOM 0 HD21 ASN A 69 15.546 15.356 3.484 1.00 43.53 H new ATOM 0 HD22 ASN A 69 16.254 15.326 1.866 1.00 43.53 H new ATOM 1172 N VAL A 70 20.604 13.552 1.569 1.00 42.43 N ATOM 1173 CA VAL A 70 21.808 13.652 2.399 1.00 51.11 C ATOM 1174 C VAL A 70 21.869 14.997 3.143 1.00 31.24 C ATOM 1175 O VAL A 70 22.587 15.128 4.136 1.00 54.45 O ATOM 1176 CB VAL A 70 23.067 13.383 1.539 1.00 63.01 C ATOM 1177 CG1 VAL A 70 23.600 14.622 0.797 1.00 40.12 C ATOM 1178 CG2 VAL A 70 24.207 12.771 2.368 1.00 52.55 C ATOM 0 H VAL A 70 20.787 13.468 0.569 1.00 42.43 H new ATOM 0 HA VAL A 70 21.770 12.885 3.173 1.00 51.11 H new ATOM 0 HB VAL A 70 22.729 12.670 0.786 1.00 63.01 H new ATOM 0 HG11 VAL A 70 24.482 14.348 0.218 1.00 40.12 H new ATOM 0 HG12 VAL A 70 22.830 15.004 0.126 1.00 40.12 H new ATOM 0 HG13 VAL A 70 23.866 15.393 1.520 1.00 40.12 H new ATOM 0 HG21 VAL A 70 25.071 12.598 1.727 1.00 52.55 H new ATOM 0 HG22 VAL A 70 24.482 13.456 3.170 1.00 52.55 H new ATOM 0 HG23 VAL A 70 23.878 11.824 2.796 1.00 52.55 H new ATOM 1188 N SER A 71 21.087 15.969 2.681 1.00 12.54 N ATOM 1189 CA SER A 71 20.926 17.294 3.236 1.00 23.03 C ATOM 1190 C SER A 71 19.451 17.659 3.176 1.00 42.43 C ATOM 1191 O SER A 71 19.066 18.675 3.789 1.00 64.45 O ATOM 1192 CB SER A 71 21.854 18.271 2.497 1.00 1.43 C ATOM 1193 OG SER A 71 21.490 18.461 1.139 1.00 14.52 O ATOM 0 H SER A 71 20.512 15.833 1.850 1.00 12.54 H new ATOM 0 HA SER A 71 21.221 17.341 4.284 1.00 23.03 H new ATOM 0 HB2 SER A 71 21.841 19.233 3.009 1.00 1.43 H new ATOM 0 HB3 SER A 71 22.877 17.898 2.545 1.00 1.43 H new ATOM 0 HG SER A 71 22.111 19.092 0.719 1.00 14.52 H new TER 1199 SER A 71