USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 62 THR OG1 : rot -22:sc= 0.717 USER MOD Set 1.2: A 66 CYS SG : rot -164:sc= 1.74 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0.199 USER MOD Set 2.2: A 8 THR OG1 : rot 81:sc= 0.208 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -147:sc= -0.215 (180deg=-0.781) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.21 K(o=-1.2,f=-5.2!) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 166:sc= -2.06 (180deg=-3.52!) USER MOD Single : A 60 THR OG1 : rot 112:sc= 0.59 USER MOD Single : A 63 SER OG : rot -28:sc= 0.507 USER MOD Single : A 69 THR OG1 : rot 128:sc= 1.51 USER MOD Single : A 75 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.9) USER MOD Single : A 76 SER OG : rot 76:sc= 0.457 USER MOD Single : A 78 SER OG : rot 84:sc= 1.21 USER MOD Single : A 83 SER OG : rot -33:sc= 0.0189 USER MOD Single : A 92 ASN : amide:sc= 0.488 K(o=0.49,f=-0.49) USER MOD Single : A 96 ASN : amide:sc= -0.864 K(o=-0.86,f=-3.8!) USER MOD Single : A 103 LYS NZ :NH3+ -134:sc= 0.913 (180deg=-0.908) USER MOD Single : A 105 THR OG1 : rot -121:sc= 0.196 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.562 -6.152 3.936 1.00 20.53 N ATOM 2 CA GLY A 1 17.584 -6.668 5.325 1.00 50.12 C ATOM 3 C GLY A 1 16.186 -6.801 5.899 1.00 43.32 C ATOM 4 O GLY A 1 15.493 -7.781 5.616 1.00 41.13 O ATOM 0 H1 GLY A 1 18.536 -6.075 3.579 1.00 20.53 H new ATOM 0 H2 GLY A 1 17.022 -6.804 3.332 1.00 20.53 H new ATOM 0 H3 GLY A 1 17.113 -5.214 3.921 1.00 20.53 H new ATOM 0 HA2 GLY A 1 18.079 -7.639 5.344 1.00 50.12 H new ATOM 0 HA3 GLY A 1 18.172 -5.998 5.952 1.00 50.12 H new ATOM 10 N PRO A 2 15.735 -5.823 6.710 1.00 3.34 N ATOM 11 CA PRO A 2 14.377 -5.825 7.264 1.00 74.22 C ATOM 12 C PRO A 2 13.330 -5.689 6.159 1.00 41.53 C ATOM 13 O PRO A 2 13.349 -4.718 5.396 1.00 62.53 O ATOM 14 CB PRO A 2 14.352 -4.597 8.199 1.00 53.31 C ATOM 15 CG PRO A 2 15.787 -4.234 8.407 1.00 1.11 C ATOM 16 CD PRO A 2 16.503 -4.645 7.150 1.00 74.23 C ATOM 0 HA PRO A 2 14.141 -6.754 7.783 1.00 74.22 H new ATOM 0 HB2 PRO A 2 13.798 -3.772 7.751 1.00 53.31 H new ATOM 0 HB3 PRO A 2 13.864 -4.832 9.145 1.00 53.31 H new ATOM 0 HG2 PRO A 2 15.897 -3.165 8.587 1.00 1.11 H new ATOM 0 HG3 PRO A 2 16.198 -4.748 9.276 1.00 1.11 H new ATOM 0 HD2 PRO A 2 16.494 -3.853 6.401 1.00 74.23 H new ATOM 0 HD3 PRO A 2 17.548 -4.891 7.341 1.00 74.23 H new ATOM 24 N GLY A 3 12.440 -6.670 6.062 1.00 43.14 N ATOM 25 CA GLY A 3 11.408 -6.646 5.041 1.00 11.32 C ATOM 26 C GLY A 3 11.800 -7.465 3.828 1.00 5.02 C ATOM 27 O GLY A 3 12.802 -7.171 3.166 1.00 12.21 O ATOM 0 H GLY A 3 12.415 -7.485 6.675 1.00 43.14 H new ATOM 0 HA2 GLY A 3 10.477 -7.033 5.456 1.00 11.32 H new ATOM 0 HA3 GLY A 3 11.219 -5.616 4.739 1.00 11.32 H new ATOM 31 N SER A 4 11.028 -8.508 3.552 1.00 1.05 N ATOM 32 CA SER A 4 11.266 -9.368 2.403 1.00 2.35 C ATOM 33 C SER A 4 10.449 -8.861 1.213 1.00 15.40 C ATOM 34 O SER A 4 9.219 -8.799 1.282 1.00 50.44 O ATOM 35 CB SER A 4 10.888 -10.817 2.749 1.00 11.22 C ATOM 36 OG SER A 4 11.418 -11.731 1.803 1.00 41.44 O ATOM 0 H SER A 4 10.223 -8.780 4.116 1.00 1.05 H new ATOM 0 HA SER A 4 12.323 -9.345 2.137 1.00 2.35 H new ATOM 0 HB2 SER A 4 11.260 -11.064 3.743 1.00 11.22 H new ATOM 0 HB3 SER A 4 9.803 -10.913 2.782 1.00 11.22 H new ATOM 0 HG SER A 4 11.162 -12.644 2.051 1.00 41.44 H new ATOM 42 N MET A 5 11.137 -8.476 0.141 1.00 45.32 N ATOM 43 CA MET A 5 10.481 -7.918 -1.040 1.00 63.14 C ATOM 44 C MET A 5 9.896 -9.025 -1.913 1.00 24.22 C ATOM 45 O MET A 5 10.316 -10.183 -1.838 1.00 71.12 O ATOM 46 CB MET A 5 11.474 -7.077 -1.860 1.00 75.32 C ATOM 47 CG MET A 5 12.040 -5.877 -1.109 1.00 14.52 C ATOM 48 SD MET A 5 13.150 -4.874 -2.124 1.00 63.44 S ATOM 49 CE MET A 5 14.367 -6.095 -2.619 1.00 53.44 C ATOM 0 H MET A 5 12.152 -8.540 0.065 1.00 45.32 H new ATOM 0 HA MET A 5 9.667 -7.277 -0.700 1.00 63.14 H new ATOM 0 HB2 MET A 5 12.298 -7.715 -2.178 1.00 75.32 H new ATOM 0 HB3 MET A 5 10.976 -6.725 -2.764 1.00 75.32 H new ATOM 0 HG2 MET A 5 11.218 -5.255 -0.755 1.00 14.52 H new ATOM 0 HG3 MET A 5 12.578 -6.227 -0.228 1.00 14.52 H new ATOM 0 HE1 MET A 5 15.343 -5.619 -2.712 1.00 53.44 H new ATOM 0 HE2 MET A 5 14.418 -6.883 -1.868 1.00 53.44 H new ATOM 0 HE3 MET A 5 14.080 -6.526 -3.578 1.00 53.44 H new ATOM 59 N SER A 6 8.933 -8.653 -2.744 1.00 12.13 N ATOM 60 CA SER A 6 8.283 -9.588 -3.654 1.00 32.23 C ATOM 61 C SER A 6 7.955 -8.868 -4.958 1.00 14.35 C ATOM 62 O SER A 6 8.312 -9.327 -6.048 1.00 33.42 O ATOM 63 CB SER A 6 7.010 -10.160 -3.008 1.00 53.04 C ATOM 64 OG SER A 6 6.374 -11.098 -3.858 1.00 63.43 O ATOM 0 H SER A 6 8.580 -7.698 -2.807 1.00 12.13 H new ATOM 0 HA SER A 6 8.953 -10.421 -3.867 1.00 32.23 H new ATOM 0 HB2 SER A 6 7.264 -10.638 -2.062 1.00 53.04 H new ATOM 0 HB3 SER A 6 6.320 -9.348 -2.780 1.00 53.04 H new ATOM 0 HG SER A 6 5.569 -11.444 -3.419 1.00 63.43 H new ATOM 70 N GLU A 7 7.283 -7.726 -4.819 1.00 70.35 N ATOM 71 CA GLU A 7 6.980 -6.824 -5.931 1.00 15.22 C ATOM 72 C GLU A 7 6.315 -7.551 -7.106 1.00 61.13 C ATOM 73 O GLU A 7 6.521 -7.193 -8.267 1.00 74.51 O ATOM 74 CB GLU A 7 8.260 -6.101 -6.396 1.00 2.11 C ATOM 75 CG GLU A 7 9.133 -5.570 -5.255 1.00 33.54 C ATOM 76 CD GLU A 7 8.324 -5.069 -4.065 1.00 54.10 C ATOM 77 OE1 GLU A 7 7.786 -3.948 -4.138 1.00 32.23 O ATOM 78 OE2 GLU A 7 8.228 -5.811 -3.057 1.00 10.25 O ATOM 0 H GLU A 7 6.929 -7.397 -3.921 1.00 70.35 H new ATOM 0 HA GLU A 7 6.265 -6.087 -5.566 1.00 15.22 H new ATOM 0 HB2 GLU A 7 8.852 -6.788 -7.001 1.00 2.11 H new ATOM 0 HB3 GLU A 7 7.979 -5.268 -7.041 1.00 2.11 H new ATOM 0 HG2 GLU A 7 9.805 -6.361 -4.922 1.00 33.54 H new ATOM 0 HG3 GLU A 7 9.756 -4.758 -5.630 1.00 33.54 H new ATOM 85 N THR A 8 5.511 -8.566 -6.808 1.00 42.12 N ATOM 86 CA THR A 8 4.768 -9.275 -7.843 1.00 43.23 C ATOM 87 C THR A 8 3.611 -8.414 -8.361 1.00 3.14 C ATOM 88 O THR A 8 2.486 -8.508 -7.866 1.00 42.32 O ATOM 89 CB THR A 8 4.214 -10.622 -7.325 1.00 32.53 C ATOM 90 OG1 THR A 8 5.260 -11.360 -6.677 1.00 41.32 O ATOM 91 CG2 THR A 8 3.639 -11.456 -8.468 1.00 33.42 C ATOM 0 H THR A 8 5.358 -8.915 -5.862 1.00 42.12 H new ATOM 0 HA THR A 8 5.463 -9.479 -8.657 1.00 43.23 H new ATOM 0 HB THR A 8 3.415 -10.409 -6.615 1.00 32.53 H new ATOM 0 HG1 THR A 8 5.378 -11.027 -5.763 1.00 41.32 H new ATOM 0 HG21 THR A 8 3.257 -12.398 -8.075 1.00 33.42 H new ATOM 0 HG22 THR A 8 2.828 -10.907 -8.947 1.00 33.42 H new ATOM 0 HG23 THR A 8 4.421 -11.659 -9.199 1.00 33.42 H new ATOM 99 N SER A 9 3.912 -7.547 -9.323 1.00 12.31 N ATOM 100 CA SER A 9 2.911 -6.678 -9.932 1.00 52.42 C ATOM 101 C SER A 9 3.517 -5.953 -11.131 1.00 1.12 C ATOM 102 O SER A 9 4.730 -5.747 -11.175 1.00 74.10 O ATOM 103 CB SER A 9 2.389 -5.655 -8.905 1.00 21.01 C ATOM 104 OG SER A 9 1.376 -4.829 -9.460 1.00 43.20 O ATOM 0 H SER A 9 4.852 -7.427 -9.701 1.00 12.31 H new ATOM 0 HA SER A 9 2.073 -7.289 -10.268 1.00 52.42 H new ATOM 0 HB2 SER A 9 1.995 -6.180 -8.035 1.00 21.01 H new ATOM 0 HB3 SER A 9 3.215 -5.035 -8.556 1.00 21.01 H new ATOM 0 HG SER A 9 1.065 -4.193 -8.783 1.00 43.20 H new ATOM 110 N ALA A 10 2.673 -5.589 -12.100 1.00 72.23 N ATOM 111 CA ALA A 10 3.093 -4.802 -13.265 1.00 43.30 C ATOM 112 C ALA A 10 4.035 -5.592 -14.184 1.00 32.53 C ATOM 113 O ALA A 10 4.678 -6.555 -13.757 1.00 20.22 O ATOM 114 CB ALA A 10 3.747 -3.492 -12.821 1.00 54.02 C ATOM 0 H ALA A 10 1.682 -5.830 -12.100 1.00 72.23 H new ATOM 0 HA ALA A 10 2.197 -4.571 -13.841 1.00 43.30 H new ATOM 0 HB1 ALA A 10 4.052 -2.922 -13.699 1.00 54.02 H new ATOM 0 HB2 ALA A 10 3.034 -2.908 -12.239 1.00 54.02 H new ATOM 0 HB3 ALA A 10 4.622 -3.711 -12.209 1.00 54.02 H new ATOM 120 N PRO A 11 4.078 -5.229 -15.485 1.00 3.02 N ATOM 121 CA PRO A 11 5.049 -5.797 -16.431 1.00 63.43 C ATOM 122 C PRO A 11 6.491 -5.396 -16.084 1.00 0.20 C ATOM 123 O PRO A 11 6.715 -4.499 -15.273 1.00 3.02 O ATOM 124 CB PRO A 11 4.614 -5.227 -17.790 1.00 32.20 C ATOM 125 CG PRO A 11 3.806 -4.013 -17.467 1.00 44.31 C ATOM 126 CD PRO A 11 3.157 -4.280 -16.138 1.00 20.04 C ATOM 0 HA PRO A 11 5.055 -6.887 -16.415 1.00 63.43 H new ATOM 0 HB2 PRO A 11 5.478 -4.973 -18.405 1.00 32.20 H new ATOM 0 HB3 PRO A 11 4.026 -5.953 -18.351 1.00 32.20 H new ATOM 0 HG2 PRO A 11 4.438 -3.126 -17.420 1.00 44.31 H new ATOM 0 HG3 PRO A 11 3.056 -3.829 -18.236 1.00 44.31 H new ATOM 0 HD2 PRO A 11 3.045 -3.365 -15.556 1.00 20.04 H new ATOM 0 HD3 PRO A 11 2.161 -4.706 -16.257 1.00 20.04 H new ATOM 134 N ALA A 12 7.454 -6.047 -16.736 1.00 53.03 N ATOM 135 CA ALA A 12 8.868 -5.982 -16.345 1.00 14.31 C ATOM 136 C ALA A 12 9.406 -4.553 -16.162 1.00 41.04 C ATOM 137 O ALA A 12 9.729 -4.147 -15.041 1.00 72.24 O ATOM 138 CB ALA A 12 9.724 -6.731 -17.361 1.00 12.23 C ATOM 0 H ALA A 12 7.279 -6.635 -17.551 1.00 53.03 H new ATOM 0 HA ALA A 12 8.930 -6.456 -15.366 1.00 14.31 H new ATOM 0 HB1 ALA A 12 10.771 -6.678 -17.064 1.00 12.23 H new ATOM 0 HB2 ALA A 12 9.411 -7.774 -17.402 1.00 12.23 H new ATOM 0 HB3 ALA A 12 9.603 -6.277 -18.344 1.00 12.23 H new ATOM 144 N GLU A 13 9.500 -3.784 -17.250 1.00 71.24 N ATOM 145 CA GLU A 13 10.163 -2.477 -17.188 1.00 51.53 C ATOM 146 C GLU A 13 9.304 -1.457 -16.443 1.00 4.52 C ATOM 147 O GLU A 13 9.830 -0.602 -15.724 1.00 74.40 O ATOM 148 CB GLU A 13 10.534 -1.958 -18.586 1.00 45.44 C ATOM 149 CG GLU A 13 9.345 -1.703 -19.499 1.00 51.33 C ATOM 150 CD GLU A 13 9.744 -1.027 -20.798 1.00 71.42 C ATOM 151 OE1 GLU A 13 9.761 0.221 -20.845 1.00 14.32 O ATOM 152 OE2 GLU A 13 10.040 -1.741 -21.780 1.00 62.22 O ATOM 0 H GLU A 13 9.134 -4.036 -18.168 1.00 71.24 H new ATOM 0 HA GLU A 13 11.090 -2.614 -16.631 1.00 51.53 H new ATOM 0 HB2 GLU A 13 11.099 -1.032 -18.478 1.00 45.44 H new ATOM 0 HB3 GLU A 13 11.195 -2.680 -19.064 1.00 45.44 H new ATOM 0 HG2 GLU A 13 8.853 -2.650 -19.722 1.00 51.33 H new ATOM 0 HG3 GLU A 13 8.618 -1.081 -18.978 1.00 51.33 H new ATOM 159 N GLU A 14 7.987 -1.560 -16.603 1.00 0.30 N ATOM 160 CA GLU A 14 7.060 -0.702 -15.872 1.00 53.22 C ATOM 161 C GLU A 14 7.282 -0.870 -14.372 1.00 4.11 C ATOM 162 O GLU A 14 7.398 0.108 -13.634 1.00 50.23 O ATOM 163 CB GLU A 14 5.601 -1.036 -16.229 1.00 35.22 C ATOM 164 CG GLU A 14 5.160 -0.575 -17.620 1.00 54.53 C ATOM 165 CD GLU A 14 5.924 -1.231 -18.762 1.00 2.42 C ATOM 166 OE1 GLU A 14 6.207 -2.446 -18.683 1.00 45.51 O ATOM 167 OE2 GLU A 14 6.211 -0.546 -19.764 1.00 52.20 O ATOM 0 H GLU A 14 7.539 -2.228 -17.231 1.00 0.30 H new ATOM 0 HA GLU A 14 7.249 0.333 -16.155 1.00 53.22 H new ATOM 0 HB2 GLU A 14 5.462 -2.115 -16.158 1.00 35.22 H new ATOM 0 HB3 GLU A 14 4.946 -0.581 -15.486 1.00 35.22 H new ATOM 0 HG2 GLU A 14 4.097 -0.784 -17.741 1.00 54.53 H new ATOM 0 HG3 GLU A 14 5.282 0.506 -17.689 1.00 54.53 H new ATOM 174 N LEU A 15 7.373 -2.127 -13.944 1.00 1.44 N ATOM 175 CA LEU A 15 7.600 -2.457 -12.543 1.00 30.42 C ATOM 176 C LEU A 15 8.923 -1.880 -12.061 1.00 54.50 C ATOM 177 O LEU A 15 8.984 -1.272 -11.002 1.00 42.34 O ATOM 178 CB LEU A 15 7.588 -3.980 -12.338 1.00 13.32 C ATOM 179 CG LEU A 15 7.952 -4.467 -10.922 1.00 50.12 C ATOM 180 CD1 LEU A 15 6.966 -3.927 -9.886 1.00 45.03 C ATOM 181 CD2 LEU A 15 8.012 -5.993 -10.878 1.00 75.10 C ATOM 0 H LEU A 15 7.292 -2.939 -14.556 1.00 1.44 H new ATOM 0 HA LEU A 15 6.793 -2.016 -11.958 1.00 30.42 H new ATOM 0 HB2 LEU A 15 6.595 -4.354 -12.587 1.00 13.32 H new ATOM 0 HB3 LEU A 15 8.284 -4.429 -13.047 1.00 13.32 H new ATOM 0 HG LEU A 15 8.940 -4.080 -10.673 1.00 50.12 H new ATOM 0 HD11 LEU A 15 7.246 -4.286 -8.896 1.00 45.03 H new ATOM 0 HD12 LEU A 15 6.988 -2.837 -9.897 1.00 45.03 H new ATOM 0 HD13 LEU A 15 5.960 -4.272 -10.126 1.00 45.03 H new ATOM 0 HD21 LEU A 15 8.270 -6.318 -9.870 1.00 75.10 H new ATOM 0 HD22 LEU A 15 7.041 -6.403 -11.154 1.00 75.10 H new ATOM 0 HD23 LEU A 15 8.768 -6.348 -11.579 1.00 75.10 H new ATOM 193 N LEU A 16 9.974 -2.070 -12.852 1.00 42.31 N ATOM 194 CA LEU A 16 11.314 -1.610 -12.483 1.00 53.14 C ATOM 195 C LEU A 16 11.298 -0.124 -12.112 1.00 41.31 C ATOM 196 O LEU A 16 11.610 0.259 -10.976 1.00 11.42 O ATOM 197 CB LEU A 16 12.287 -1.849 -13.646 1.00 22.13 C ATOM 198 CG LEU A 16 13.727 -1.358 -13.419 1.00 1.21 C ATOM 199 CD1 LEU A 16 14.394 -2.123 -12.276 1.00 54.35 C ATOM 200 CD2 LEU A 16 14.541 -1.475 -14.706 1.00 44.02 C ATOM 0 H LEU A 16 9.926 -2.540 -13.756 1.00 42.31 H new ATOM 0 HA LEU A 16 11.645 -2.177 -11.613 1.00 53.14 H new ATOM 0 HB2 LEU A 16 12.316 -2.918 -13.858 1.00 22.13 H new ATOM 0 HB3 LEU A 16 11.891 -1.358 -14.535 1.00 22.13 H new ATOM 0 HG LEU A 16 13.688 -0.306 -13.135 1.00 1.21 H new ATOM 0 HD11 LEU A 16 15.411 -1.756 -12.137 1.00 54.35 H new ATOM 0 HD12 LEU A 16 13.826 -1.974 -11.358 1.00 54.35 H new ATOM 0 HD13 LEU A 16 14.422 -3.186 -12.517 1.00 54.35 H new ATOM 0 HD21 LEU A 16 15.557 -1.123 -14.527 1.00 44.02 H new ATOM 0 HD22 LEU A 16 14.569 -2.517 -15.026 1.00 44.02 H new ATOM 0 HD23 LEU A 16 14.079 -0.869 -15.485 1.00 44.02 H new ATOM 212 N ALA A 17 10.896 0.705 -13.070 1.00 11.11 N ATOM 213 CA ALA A 17 10.894 2.152 -12.888 1.00 11.43 C ATOM 214 C ALA A 17 9.926 2.565 -11.784 1.00 54.31 C ATOM 215 O ALA A 17 10.294 3.300 -10.850 1.00 54.21 O ATOM 216 CB ALA A 17 10.537 2.841 -14.200 1.00 73.03 C ATOM 0 H ALA A 17 10.566 0.397 -13.985 1.00 11.11 H new ATOM 0 HA ALA A 17 11.894 2.463 -12.586 1.00 11.43 H new ATOM 0 HB1 ALA A 17 10.538 3.921 -14.056 1.00 73.03 H new ATOM 0 HB2 ALA A 17 11.271 2.576 -14.961 1.00 73.03 H new ATOM 0 HB3 ALA A 17 9.547 2.519 -14.523 1.00 73.03 H new ATOM 222 N ASP A 18 8.696 2.067 -11.878 1.00 72.13 N ATOM 223 CA ASP A 18 7.642 2.468 -10.959 1.00 42.43 C ATOM 224 C ASP A 18 7.965 2.052 -9.531 1.00 41.31 C ATOM 225 O ASP A 18 7.740 2.818 -8.604 1.00 72.30 O ATOM 226 CB ASP A 18 6.285 1.896 -11.369 1.00 1.24 C ATOM 227 CG ASP A 18 5.167 2.457 -10.508 1.00 54.11 C ATOM 228 OD1 ASP A 18 4.635 1.724 -9.651 1.00 42.21 O ATOM 229 OD2 ASP A 18 4.834 3.652 -10.682 1.00 74.42 O ATOM 0 H ASP A 18 8.408 1.386 -12.581 1.00 72.13 H new ATOM 0 HA ASP A 18 7.584 3.556 -11.004 1.00 42.43 H new ATOM 0 HB2 ASP A 18 6.092 2.128 -12.416 1.00 1.24 H new ATOM 0 HB3 ASP A 18 6.304 0.810 -11.281 1.00 1.24 H new ATOM 234 N VAL A 19 8.501 0.843 -9.357 1.00 33.44 N ATOM 235 CA VAL A 19 8.858 0.362 -8.022 1.00 34.13 C ATOM 236 C VAL A 19 10.054 1.145 -7.501 1.00 33.03 C ATOM 237 O VAL A 19 10.138 1.438 -6.310 1.00 11.35 O ATOM 238 CB VAL A 19 9.166 -1.167 -7.979 1.00 3.50 C ATOM 239 CG1 VAL A 19 10.568 -1.481 -8.503 1.00 25.31 C ATOM 240 CG2 VAL A 19 8.983 -1.710 -6.562 1.00 43.04 C ATOM 0 H VAL A 19 8.695 0.187 -10.113 1.00 33.44 H new ATOM 0 HA VAL A 19 7.989 0.523 -7.384 1.00 34.13 H new ATOM 0 HB VAL A 19 8.455 -1.664 -8.639 1.00 3.50 H new ATOM 0 HG11 VAL A 19 10.742 -2.556 -8.456 1.00 25.31 H new ATOM 0 HG12 VAL A 19 10.654 -1.145 -9.536 1.00 25.31 H new ATOM 0 HG13 VAL A 19 11.309 -0.966 -7.891 1.00 25.31 H new ATOM 0 HG21 VAL A 19 9.202 -2.778 -6.550 1.00 43.04 H new ATOM 0 HG22 VAL A 19 9.662 -1.193 -5.884 1.00 43.04 H new ATOM 0 HG23 VAL A 19 7.955 -1.547 -6.240 1.00 43.04 H new ATOM 250 N GLU A 20 10.976 1.497 -8.404 1.00 11.03 N ATOM 251 CA GLU A 20 12.118 2.332 -8.043 1.00 15.03 C ATOM 252 C GLU A 20 11.632 3.641 -7.424 1.00 74.22 C ATOM 253 O GLU A 20 12.138 4.079 -6.389 1.00 34.24 O ATOM 254 CB GLU A 20 12.988 2.611 -9.274 1.00 60.32 C ATOM 255 CG GLU A 20 14.211 3.473 -8.982 1.00 32.01 C ATOM 256 CD GLU A 20 15.055 3.733 -10.217 1.00 24.11 C ATOM 257 OE1 GLU A 20 16.017 2.978 -10.454 1.00 51.23 O ATOM 258 OE2 GLU A 20 14.754 4.692 -10.961 1.00 13.24 O ATOM 0 H GLU A 20 10.951 1.216 -9.384 1.00 11.03 H new ATOM 0 HA GLU A 20 12.724 1.801 -7.309 1.00 15.03 H new ATOM 0 HB2 GLU A 20 13.317 1.662 -9.697 1.00 60.32 H new ATOM 0 HB3 GLU A 20 12.380 3.105 -10.032 1.00 60.32 H new ATOM 0 HG2 GLU A 20 13.887 4.425 -8.562 1.00 32.01 H new ATOM 0 HG3 GLU A 20 14.823 2.983 -8.225 1.00 32.01 H new ATOM 265 N GLU A 21 10.640 4.256 -8.063 1.00 12.12 N ATOM 266 CA GLU A 21 10.055 5.499 -7.555 1.00 24.54 C ATOM 267 C GLU A 21 9.201 5.236 -6.313 1.00 3.23 C ATOM 268 O GLU A 21 9.290 5.953 -5.313 1.00 14.13 O ATOM 269 CB GLU A 21 9.215 6.168 -8.648 1.00 55.31 C ATOM 270 CG GLU A 21 10.004 6.418 -9.924 1.00 15.51 C ATOM 271 CD GLU A 21 9.202 7.126 -10.999 1.00 61.43 C ATOM 272 OE1 GLU A 21 9.338 8.362 -11.124 1.00 51.34 O ATOM 273 OE2 GLU A 21 8.461 6.453 -11.740 1.00 63.02 O ATOM 0 H GLU A 21 10.224 3.917 -8.931 1.00 12.12 H new ATOM 0 HA GLU A 21 10.866 6.169 -7.270 1.00 24.54 H new ATOM 0 HB2 GLU A 21 8.354 5.539 -8.875 1.00 55.31 H new ATOM 0 HB3 GLU A 21 8.827 7.116 -8.274 1.00 55.31 H new ATOM 0 HG2 GLU A 21 10.885 7.014 -9.687 1.00 15.51 H new ATOM 0 HG3 GLU A 21 10.360 5.465 -10.315 1.00 15.51 H new ATOM 280 N ALA A 22 8.404 4.178 -6.374 1.00 44.31 N ATOM 281 CA ALA A 22 7.472 3.837 -5.305 1.00 23.31 C ATOM 282 C ALA A 22 8.213 3.569 -4.005 1.00 73.40 C ATOM 283 O ALA A 22 7.746 3.933 -2.931 1.00 60.11 O ATOM 284 CB ALA A 22 6.625 2.629 -5.694 1.00 53.13 C ATOM 0 H ALA A 22 8.384 3.532 -7.164 1.00 44.31 H new ATOM 0 HA ALA A 22 6.809 4.689 -5.151 1.00 23.31 H new ATOM 0 HB1 ALA A 22 5.937 2.391 -4.883 1.00 53.13 H new ATOM 0 HB2 ALA A 22 6.058 2.858 -6.596 1.00 53.13 H new ATOM 0 HB3 ALA A 22 7.275 1.774 -5.881 1.00 53.13 H new ATOM 290 N MET A 23 9.389 2.964 -4.114 1.00 22.44 N ATOM 291 CA MET A 23 10.204 2.629 -2.949 1.00 22.41 C ATOM 292 C MET A 23 10.635 3.883 -2.184 1.00 43.51 C ATOM 293 O MET A 23 11.117 3.785 -1.065 1.00 60.35 O ATOM 294 CB MET A 23 11.435 1.812 -3.369 1.00 64.51 C ATOM 295 CG MET A 23 11.138 0.342 -3.668 1.00 22.24 C ATOM 296 SD MET A 23 10.765 -0.604 -2.176 1.00 72.11 S ATOM 297 CE MET A 23 10.385 -2.214 -2.865 1.00 12.12 C ATOM 0 H MET A 23 9.804 2.692 -5.005 1.00 22.44 H new ATOM 0 HA MET A 23 9.590 2.025 -2.281 1.00 22.41 H new ATOM 0 HB2 MET A 23 11.876 2.270 -4.254 1.00 64.51 H new ATOM 0 HB3 MET A 23 12.181 1.867 -2.576 1.00 64.51 H new ATOM 0 HG2 MET A 23 10.295 0.277 -4.356 1.00 22.24 H new ATOM 0 HG3 MET A 23 11.996 -0.104 -4.172 1.00 22.24 H new ATOM 0 HE1 MET A 23 10.135 -2.905 -2.060 1.00 12.12 H new ATOM 0 HE2 MET A 23 9.538 -2.128 -3.545 1.00 12.12 H new ATOM 0 HE3 MET A 23 11.251 -2.590 -3.410 1.00 12.12 H new ATOM 307 N ARG A 24 10.471 5.055 -2.794 1.00 42.35 N ATOM 308 CA ARG A 24 10.819 6.319 -2.137 1.00 13.21 C ATOM 309 C ARG A 24 9.651 6.857 -1.304 1.00 61.35 C ATOM 310 O ARG A 24 9.858 7.608 -0.346 1.00 1.34 O ATOM 311 CB ARG A 24 11.248 7.368 -3.182 1.00 12.12 C ATOM 312 CG ARG A 24 11.372 8.786 -2.620 1.00 34.15 C ATOM 313 CD ARG A 24 11.806 9.795 -3.679 1.00 11.34 C ATOM 314 NE ARG A 24 11.598 11.173 -3.224 1.00 61.44 N ATOM 315 CZ ARG A 24 12.565 12.082 -3.073 1.00 65.34 C ATOM 316 NH1 ARG A 24 13.832 11.782 -3.348 1.00 10.04 N ATOM 317 NH2 ARG A 24 12.256 13.299 -2.638 1.00 34.50 N ATOM 0 H ARG A 24 10.101 5.159 -3.739 1.00 42.35 H new ATOM 0 HA ARG A 24 11.653 6.123 -1.464 1.00 13.21 H new ATOM 0 HB2 ARG A 24 12.206 7.071 -3.608 1.00 12.12 H new ATOM 0 HB3 ARG A 24 10.524 7.372 -3.997 1.00 12.12 H new ATOM 0 HG2 ARG A 24 10.414 9.093 -2.201 1.00 34.15 H new ATOM 0 HG3 ARG A 24 12.093 8.788 -1.803 1.00 34.15 H new ATOM 0 HD2 ARG A 24 12.859 9.644 -3.917 1.00 11.34 H new ATOM 0 HD3 ARG A 24 11.244 9.625 -4.597 1.00 11.34 H new ATOM 0 HE ARG A 24 10.643 11.459 -3.006 1.00 61.44 H new ATOM 0 HH11 ARG A 24 14.075 10.848 -3.679 1.00 10.04 H new ATOM 0 HH12 ARG A 24 14.560 12.486 -3.228 1.00 10.04 H new ATOM 0 HH21 ARG A 24 11.287 13.533 -2.422 1.00 34.50 H new ATOM 0 HH22 ARG A 24 12.988 13.999 -2.520 1.00 34.50 H new ATOM 331 N ASP A 25 8.429 6.446 -1.634 1.00 64.34 N ATOM 332 CA ASP A 25 7.237 7.064 -1.042 1.00 65.34 C ATOM 333 C ASP A 25 6.479 6.045 -0.211 1.00 73.13 C ATOM 334 O ASP A 25 5.796 6.387 0.753 1.00 23.04 O ATOM 335 CB ASP A 25 6.325 7.633 -2.142 1.00 31.25 C ATOM 336 CG ASP A 25 5.260 8.575 -1.590 1.00 41.20 C ATOM 337 OD1 ASP A 25 4.056 8.305 -1.777 1.00 14.23 O ATOM 338 OD2 ASP A 25 5.631 9.596 -0.963 1.00 10.22 O ATOM 0 H ASP A 25 8.235 5.697 -2.299 1.00 64.34 H new ATOM 0 HA ASP A 25 7.554 7.882 -0.395 1.00 65.34 H new ATOM 0 HB2 ASP A 25 6.933 8.166 -2.873 1.00 31.25 H new ATOM 0 HB3 ASP A 25 5.840 6.811 -2.669 1.00 31.25 H new ATOM 343 N VAL A 26 6.637 4.788 -0.587 1.00 62.32 N ATOM 344 CA VAL A 26 5.998 3.676 0.090 1.00 51.21 C ATOM 345 C VAL A 26 6.745 3.349 1.384 1.00 1.33 C ATOM 346 O VAL A 26 6.170 2.835 2.344 1.00 34.42 O ATOM 347 CB VAL A 26 5.962 2.443 -0.849 1.00 53.41 C ATOM 348 CG1 VAL A 26 5.609 1.177 -0.092 1.00 60.13 C ATOM 349 CG2 VAL A 26 4.978 2.675 -1.997 1.00 0.51 C ATOM 0 H VAL A 26 7.218 4.509 -1.378 1.00 62.32 H new ATOM 0 HA VAL A 26 4.974 3.950 0.346 1.00 51.21 H new ATOM 0 HB VAL A 26 6.961 2.311 -1.264 1.00 53.41 H new ATOM 0 HG11 VAL A 26 5.593 0.333 -0.782 1.00 60.13 H new ATOM 0 HG12 VAL A 26 6.353 0.997 0.684 1.00 60.13 H new ATOM 0 HG13 VAL A 26 4.627 1.289 0.367 1.00 60.13 H new ATOM 0 HG21 VAL A 26 4.965 1.800 -2.647 1.00 0.51 H new ATOM 0 HG22 VAL A 26 3.980 2.842 -1.592 1.00 0.51 H new ATOM 0 HG23 VAL A 26 5.288 3.549 -2.571 1.00 0.51 H new ATOM 359 N VAL A 27 8.034 3.662 1.398 1.00 32.15 N ATOM 360 CA VAL A 27 8.863 3.454 2.579 1.00 1.12 C ATOM 361 C VAL A 27 8.856 4.714 3.441 1.00 30.33 C ATOM 362 O VAL A 27 8.439 5.785 2.987 1.00 30.22 O ATOM 363 CB VAL A 27 10.330 3.115 2.189 1.00 63.32 C ATOM 364 CG1 VAL A 27 11.078 4.364 1.721 1.00 44.31 C ATOM 365 CG2 VAL A 27 11.073 2.445 3.344 1.00 10.10 C ATOM 0 H VAL A 27 8.530 4.062 0.602 1.00 32.15 H new ATOM 0 HA VAL A 27 8.448 2.613 3.135 1.00 1.12 H new ATOM 0 HB VAL A 27 10.292 2.409 1.359 1.00 63.32 H new ATOM 0 HG11 VAL A 27 12.101 4.097 1.455 1.00 44.31 H new ATOM 0 HG12 VAL A 27 10.575 4.785 0.851 1.00 44.31 H new ATOM 0 HG13 VAL A 27 11.093 5.101 2.524 1.00 44.31 H new ATOM 0 HG21 VAL A 27 12.095 2.221 3.038 1.00 10.10 H new ATOM 0 HG22 VAL A 27 11.090 3.115 4.203 1.00 10.10 H new ATOM 0 HG23 VAL A 27 10.565 1.520 3.615 1.00 10.10 H new ATOM 375 N ASP A 28 9.305 4.583 4.681 1.00 35.12 N ATOM 376 CA ASP A 28 9.560 5.734 5.529 1.00 74.04 C ATOM 377 C ASP A 28 11.067 5.944 5.633 1.00 23.33 C ATOM 378 O ASP A 28 11.729 5.335 6.475 1.00 13.03 O ATOM 379 CB ASP A 28 8.953 5.542 6.923 1.00 12.44 C ATOM 380 CG ASP A 28 9.207 6.746 7.818 1.00 24.23 C ATOM 381 OD1 ASP A 28 10.230 6.753 8.537 1.00 22.44 O ATOM 382 OD2 ASP A 28 8.401 7.702 7.782 1.00 0.45 O ATOM 0 H ASP A 28 9.501 3.685 5.122 1.00 35.12 H new ATOM 0 HA ASP A 28 9.091 6.612 5.086 1.00 74.04 H new ATOM 0 HB2 ASP A 28 7.880 5.376 6.833 1.00 12.44 H new ATOM 0 HB3 ASP A 28 9.376 4.650 7.384 1.00 12.44 H new ATOM 387 N PRO A 29 11.643 6.774 4.743 1.00 33.35 N ATOM 388 CA PRO A 29 13.081 7.029 4.730 1.00 34.20 C ATOM 389 C PRO A 29 13.467 8.061 5.784 1.00 75.02 C ATOM 390 O PRO A 29 14.651 8.306 6.035 1.00 44.40 O ATOM 391 CB PRO A 29 13.314 7.561 3.310 1.00 65.34 C ATOM 392 CG PRO A 29 12.050 8.275 2.968 1.00 62.12 C ATOM 393 CD PRO A 29 10.940 7.538 3.684 1.00 21.01 C ATOM 0 HA PRO A 29 13.681 6.150 4.963 1.00 34.20 H new ATOM 0 HB2 PRO A 29 14.172 8.232 3.273 1.00 65.34 H new ATOM 0 HB3 PRO A 29 13.514 6.750 2.610 1.00 65.34 H new ATOM 0 HG2 PRO A 29 12.093 9.317 3.286 1.00 62.12 H new ATOM 0 HG3 PRO A 29 11.884 8.277 1.891 1.00 62.12 H new ATOM 0 HD2 PRO A 29 10.210 8.228 4.107 1.00 21.01 H new ATOM 0 HD3 PRO A 29 10.398 6.877 3.007 1.00 21.01 H new ATOM 401 N GLU A 30 12.446 8.651 6.403 1.00 52.23 N ATOM 402 CA GLU A 30 12.632 9.701 7.393 1.00 13.32 C ATOM 403 C GLU A 30 13.268 9.139 8.658 1.00 21.41 C ATOM 404 O GLU A 30 14.350 9.569 9.069 1.00 72.13 O ATOM 405 CB GLU A 30 11.284 10.352 7.711 1.00 72.43 C ATOM 406 CG GLU A 30 10.543 10.838 6.469 1.00 22.15 C ATOM 407 CD GLU A 30 11.369 11.808 5.635 1.00 65.22 C ATOM 408 OE1 GLU A 30 11.432 13.001 5.997 1.00 43.42 O ATOM 409 OE2 GLU A 30 11.961 11.382 4.615 1.00 63.04 O ATOM 0 H GLU A 30 11.469 8.413 6.230 1.00 52.23 H new ATOM 0 HA GLU A 30 13.304 10.457 6.986 1.00 13.32 H new ATOM 0 HB2 GLU A 30 10.658 9.635 8.242 1.00 72.43 H new ATOM 0 HB3 GLU A 30 11.444 11.195 8.383 1.00 72.43 H new ATOM 0 HG2 GLU A 30 10.269 9.980 5.855 1.00 22.15 H new ATOM 0 HG3 GLU A 30 9.615 11.324 6.771 1.00 22.15 H new ATOM 416 N LEU A 31 12.607 8.158 9.255 1.00 5.22 N ATOM 417 CA LEU A 31 13.126 7.490 10.445 1.00 15.43 C ATOM 418 C LEU A 31 13.784 6.166 10.063 1.00 4.10 C ATOM 419 O LEU A 31 14.580 5.613 10.826 1.00 75.11 O ATOM 420 CB LEU A 31 11.997 7.261 11.458 1.00 21.30 C ATOM 421 CG LEU A 31 11.308 8.539 11.961 1.00 63.44 C ATOM 422 CD1 LEU A 31 10.161 8.203 12.911 1.00 44.11 C ATOM 423 CD2 LEU A 31 12.316 9.470 12.634 1.00 75.12 C ATOM 0 H LEU A 31 11.706 7.804 8.935 1.00 5.22 H new ATOM 0 HA LEU A 31 13.880 8.128 10.907 1.00 15.43 H new ATOM 0 HB2 LEU A 31 11.246 6.616 11.002 1.00 21.30 H new ATOM 0 HB3 LEU A 31 12.402 6.723 12.315 1.00 21.30 H new ATOM 0 HG LEU A 31 10.890 9.058 11.099 1.00 63.44 H new ATOM 0 HD11 LEU A 31 9.690 9.125 13.253 1.00 44.11 H new ATOM 0 HD12 LEU A 31 9.425 7.591 12.390 1.00 44.11 H new ATOM 0 HD13 LEU A 31 10.548 7.654 13.769 1.00 44.11 H new ATOM 0 HD21 LEU A 31 11.806 10.368 12.982 1.00 75.12 H new ATOM 0 HD22 LEU A 31 12.772 8.960 13.482 1.00 75.12 H new ATOM 0 HD23 LEU A 31 13.090 9.747 11.918 1.00 75.12 H new ATOM 435 N GLY A 32 13.453 5.669 8.872 1.00 41.41 N ATOM 436 CA GLY A 32 14.115 4.490 8.336 1.00 64.31 C ATOM 437 C GLY A 32 13.373 3.200 8.636 1.00 30.10 C ATOM 438 O GLY A 32 13.958 2.247 9.165 1.00 13.52 O ATOM 0 H GLY A 32 12.734 6.065 8.266 1.00 41.41 H new ATOM 0 HA2 GLY A 32 14.219 4.599 7.257 1.00 64.31 H new ATOM 0 HA3 GLY A 32 15.122 4.427 8.749 1.00 64.31 H new ATOM 442 N ILE A 33 12.083 3.168 8.307 1.00 54.05 N ATOM 443 CA ILE A 33 11.271 1.956 8.450 1.00 2.14 C ATOM 444 C ILE A 33 10.581 1.642 7.128 1.00 13.32 C ATOM 445 O ILE A 33 10.139 2.549 6.423 1.00 30.54 O ATOM 446 CB ILE A 33 10.172 2.081 9.551 1.00 42.30 C ATOM 447 CG1 ILE A 33 10.756 2.538 10.902 1.00 62.11 C ATOM 448 CG2 ILE A 33 9.437 0.749 9.722 1.00 14.41 C ATOM 449 CD1 ILE A 33 11.009 4.027 10.991 1.00 43.30 C ATOM 0 H ILE A 33 11.573 3.971 7.938 1.00 54.05 H new ATOM 0 HA ILE A 33 11.955 1.160 8.745 1.00 2.14 H new ATOM 0 HB ILE A 33 9.468 2.844 9.221 1.00 42.30 H new ATOM 0 HG12 ILE A 33 10.071 2.248 11.699 1.00 62.11 H new ATOM 0 HG13 ILE A 33 11.693 2.009 11.079 1.00 62.11 H new ATOM 0 HG21 ILE A 33 8.673 0.851 10.493 1.00 14.41 H new ATOM 0 HG22 ILE A 33 8.966 0.470 8.780 1.00 14.41 H new ATOM 0 HG23 ILE A 33 10.148 -0.024 10.015 1.00 14.41 H new ATOM 0 HD11 ILE A 33 11.420 4.268 11.971 1.00 43.30 H new ATOM 0 HD12 ILE A 33 11.718 4.322 10.218 1.00 43.30 H new ATOM 0 HD13 ILE A 33 10.072 4.565 10.848 1.00 43.30 H new ATOM 461 N ASN A 34 10.490 0.363 6.787 1.00 32.51 N ATOM 462 CA ASN A 34 9.759 -0.059 5.598 1.00 62.33 C ATOM 463 C ASN A 34 8.479 -0.760 6.026 1.00 54.11 C ATOM 464 O ASN A 34 8.480 -1.529 6.984 1.00 75.22 O ATOM 465 CB ASN A 34 10.614 -0.977 4.706 1.00 43.04 C ATOM 466 CG ASN A 34 10.867 -2.344 5.315 1.00 11.20 C ATOM 467 OD1 ASN A 34 10.089 -3.275 5.120 1.00 65.45 O ATOM 468 ND2 ASN A 34 11.963 -2.477 6.046 1.00 44.20 N ATOM 0 H ASN A 34 10.913 -0.400 7.316 1.00 32.51 H new ATOM 0 HA ASN A 34 9.512 0.822 5.005 1.00 62.33 H new ATOM 0 HB2 ASN A 34 10.117 -1.102 3.744 1.00 43.04 H new ATOM 0 HB3 ASN A 34 11.570 -0.492 4.510 1.00 43.04 H new ATOM 0 HD21 ASN A 34 12.187 -3.377 6.471 1.00 44.20 H new ATOM 0 HD22 ASN A 34 12.584 -1.679 6.184 1.00 44.20 H new ATOM 475 N VAL A 35 7.388 -0.476 5.327 1.00 2.20 N ATOM 476 CA VAL A 35 6.079 -1.018 5.679 1.00 74.44 C ATOM 477 C VAL A 35 6.100 -2.551 5.708 1.00 3.22 C ATOM 478 O VAL A 35 5.469 -3.184 6.564 1.00 52.42 O ATOM 479 CB VAL A 35 4.999 -0.511 4.691 1.00 4.42 C ATOM 480 CG1 VAL A 35 3.632 -1.115 5.007 1.00 2.30 C ATOM 481 CG2 VAL A 35 4.939 1.021 4.707 1.00 23.50 C ATOM 0 H VAL A 35 7.383 0.131 4.507 1.00 2.20 H new ATOM 0 HA VAL A 35 5.831 -0.667 6.681 1.00 74.44 H new ATOM 0 HB VAL A 35 5.277 -0.835 3.688 1.00 4.42 H new ATOM 0 HG11 VAL A 35 2.895 -0.740 4.296 1.00 2.30 H new ATOM 0 HG12 VAL A 35 3.688 -2.201 4.932 1.00 2.30 H new ATOM 0 HG13 VAL A 35 3.336 -0.836 6.018 1.00 2.30 H new ATOM 0 HG21 VAL A 35 4.176 1.363 4.008 1.00 23.50 H new ATOM 0 HG22 VAL A 35 4.691 1.365 5.711 1.00 23.50 H new ATOM 0 HG23 VAL A 35 5.907 1.426 4.413 1.00 23.50 H new ATOM 491 N VAL A 36 6.863 -3.139 4.793 1.00 61.30 N ATOM 492 CA VAL A 36 6.976 -4.593 4.689 1.00 74.41 C ATOM 493 C VAL A 36 7.497 -5.196 6.000 1.00 41.52 C ATOM 494 O VAL A 36 7.229 -6.359 6.305 1.00 5.13 O ATOM 495 CB VAL A 36 7.904 -5.008 3.515 1.00 73.13 C ATOM 496 CG1 VAL A 36 7.919 -6.528 3.334 1.00 23.22 C ATOM 497 CG2 VAL A 36 7.478 -4.312 2.221 1.00 0.43 C ATOM 0 H VAL A 36 7.418 -2.628 4.106 1.00 61.30 H new ATOM 0 HA VAL A 36 5.977 -4.981 4.492 1.00 74.41 H new ATOM 0 HB VAL A 36 8.918 -4.691 3.759 1.00 73.13 H new ATOM 0 HG11 VAL A 36 8.577 -6.789 2.505 1.00 23.22 H new ATOM 0 HG12 VAL A 36 8.281 -7.000 4.247 1.00 23.22 H new ATOM 0 HG13 VAL A 36 6.909 -6.879 3.120 1.00 23.22 H new ATOM 0 HG21 VAL A 36 8.140 -4.615 1.410 1.00 0.43 H new ATOM 0 HG22 VAL A 36 6.453 -4.593 1.977 1.00 0.43 H new ATOM 0 HG23 VAL A 36 7.537 -3.232 2.353 1.00 0.43 H new ATOM 507 N ASP A 37 8.223 -4.388 6.777 1.00 4.22 N ATOM 508 CA ASP A 37 8.791 -4.830 8.055 1.00 44.54 C ATOM 509 C ASP A 37 7.698 -5.300 9.018 1.00 54.14 C ATOM 510 O ASP A 37 7.949 -6.131 9.892 1.00 5.12 O ATOM 511 CB ASP A 37 9.606 -3.696 8.701 1.00 65.52 C ATOM 512 CG ASP A 37 10.237 -4.099 10.029 1.00 20.43 C ATOM 513 OD1 ASP A 37 9.678 -3.760 11.098 1.00 40.50 O ATOM 514 OD2 ASP A 37 11.292 -4.769 10.010 1.00 1.55 O ATOM 0 H ASP A 37 8.433 -3.418 6.542 1.00 4.22 H new ATOM 0 HA ASP A 37 9.450 -5.673 7.850 1.00 44.54 H new ATOM 0 HB2 ASP A 37 10.391 -3.382 8.013 1.00 65.52 H new ATOM 0 HB3 ASP A 37 8.957 -2.834 8.860 1.00 65.52 H new ATOM 519 N LEU A 38 6.480 -4.778 8.843 1.00 65.44 N ATOM 520 CA LEU A 38 5.346 -5.161 9.691 1.00 11.52 C ATOM 521 C LEU A 38 4.924 -6.606 9.406 1.00 13.55 C ATOM 522 O LEU A 38 4.181 -7.212 10.177 1.00 11.53 O ATOM 523 CB LEU A 38 4.157 -4.204 9.481 1.00 5.01 C ATOM 524 CG LEU A 38 4.299 -2.804 10.119 1.00 74.53 C ATOM 525 CD1 LEU A 38 5.482 -2.034 9.532 1.00 34.04 C ATOM 526 CD2 LEU A 38 3.005 -2.008 9.957 1.00 14.41 C ATOM 0 H LEU A 38 6.254 -4.091 8.124 1.00 65.44 H new ATOM 0 HA LEU A 38 5.663 -5.091 10.732 1.00 11.52 H new ATOM 0 HB2 LEU A 38 4.000 -4.080 8.410 1.00 5.01 H new ATOM 0 HB3 LEU A 38 3.260 -4.676 9.882 1.00 5.01 H new ATOM 0 HG LEU A 38 4.493 -2.944 11.182 1.00 74.53 H new ATOM 0 HD11 LEU A 38 5.550 -1.054 10.005 1.00 34.04 H new ATOM 0 HD12 LEU A 38 6.403 -2.589 9.713 1.00 34.04 H new ATOM 0 HD13 LEU A 38 5.338 -1.909 8.459 1.00 34.04 H new ATOM 0 HD21 LEU A 38 3.123 -1.025 10.412 1.00 14.41 H new ATOM 0 HD22 LEU A 38 2.779 -1.892 8.897 1.00 14.41 H new ATOM 0 HD23 LEU A 38 2.188 -2.538 10.446 1.00 14.41 H new ATOM 538 N GLY A 39 5.400 -7.136 8.279 1.00 10.22 N ATOM 539 CA GLY A 39 5.131 -8.515 7.892 1.00 63.05 C ATOM 540 C GLY A 39 3.652 -8.846 7.776 1.00 35.32 C ATOM 541 O GLY A 39 3.266 -10.013 7.849 1.00 15.24 O ATOM 0 H GLY A 39 5.979 -6.623 7.614 1.00 10.22 H new ATOM 0 HA2 GLY A 39 5.614 -8.714 6.935 1.00 63.05 H new ATOM 0 HA3 GLY A 39 5.586 -9.183 8.624 1.00 63.05 H new ATOM 545 N LEU A 40 2.826 -7.827 7.577 1.00 74.22 N ATOM 546 CA LEU A 40 1.403 -8.034 7.307 1.00 74.44 C ATOM 547 C LEU A 40 1.172 -7.964 5.797 1.00 31.44 C ATOM 548 O LEU A 40 0.222 -8.532 5.268 1.00 11.34 O ATOM 549 CB LEU A 40 0.553 -6.977 8.047 1.00 54.45 C ATOM 550 CG LEU A 40 -0.795 -7.469 8.623 1.00 11.55 C ATOM 551 CD1 LEU A 40 -1.737 -7.959 7.528 1.00 14.13 C ATOM 552 CD2 LEU A 40 -0.567 -8.563 9.664 1.00 64.24 C ATOM 0 H LEU A 40 3.113 -6.849 7.597 1.00 74.22 H new ATOM 0 HA LEU A 40 1.098 -9.015 7.672 1.00 74.44 H new ATOM 0 HB2 LEU A 40 1.148 -6.570 8.865 1.00 54.45 H new ATOM 0 HB3 LEU A 40 0.353 -6.155 7.359 1.00 54.45 H new ATOM 0 HG LEU A 40 -1.273 -6.617 9.107 1.00 11.55 H new ATOM 0 HD11 LEU A 40 -2.672 -8.296 7.976 1.00 14.13 H new ATOM 0 HD12 LEU A 40 -1.940 -7.145 6.832 1.00 14.13 H new ATOM 0 HD13 LEU A 40 -1.273 -8.787 6.992 1.00 14.13 H new ATOM 0 HD21 LEU A 40 -1.527 -8.896 10.058 1.00 64.24 H new ATOM 0 HD22 LEU A 40 -0.053 -9.405 9.200 1.00 64.24 H new ATOM 0 HD23 LEU A 40 0.042 -8.170 10.478 1.00 64.24 H new ATOM 564 N VAL A 41 2.102 -7.295 5.110 1.00 22.11 N ATOM 565 CA VAL A 41 1.983 -7.013 3.677 1.00 21.32 C ATOM 566 C VAL A 41 2.026 -8.299 2.839 1.00 34.21 C ATOM 567 O VAL A 41 1.846 -8.269 1.624 1.00 5.52 O ATOM 568 CB VAL A 41 3.105 -6.038 3.220 1.00 72.15 C ATOM 569 CG1 VAL A 41 2.882 -5.562 1.784 1.00 24.42 C ATOM 570 CG2 VAL A 41 3.204 -4.850 4.180 1.00 32.40 C ATOM 0 H VAL A 41 2.958 -6.934 5.531 1.00 22.11 H new ATOM 0 HA VAL A 41 1.013 -6.543 3.515 1.00 21.32 H new ATOM 0 HB VAL A 41 4.050 -6.580 3.241 1.00 72.15 H new ATOM 0 HG11 VAL A 41 3.684 -4.882 1.497 1.00 24.42 H new ATOM 0 HG12 VAL A 41 2.877 -6.421 1.113 1.00 24.42 H new ATOM 0 HG13 VAL A 41 1.926 -5.043 1.717 1.00 24.42 H new ATOM 0 HG21 VAL A 41 3.994 -4.177 3.846 1.00 32.40 H new ATOM 0 HG22 VAL A 41 2.254 -4.315 4.196 1.00 32.40 H new ATOM 0 HG23 VAL A 41 3.434 -5.211 5.183 1.00 32.40 H new ATOM 580 N TYR A 42 2.262 -9.433 3.497 1.00 54.01 N ATOM 581 CA TYR A 42 2.188 -10.731 2.826 1.00 4.02 C ATOM 582 C TYR A 42 0.748 -11.019 2.399 1.00 62.22 C ATOM 583 O TYR A 42 0.497 -11.864 1.538 1.00 44.10 O ATOM 584 CB TYR A 42 2.721 -11.855 3.734 1.00 0.00 C ATOM 585 CG TYR A 42 4.183 -12.192 3.489 1.00 42.22 C ATOM 586 CD1 TYR A 42 4.535 -13.208 2.602 1.00 44.00 C ATOM 587 CD2 TYR A 42 5.209 -11.503 4.134 1.00 15.50 C ATOM 588 CE1 TYR A 42 5.858 -13.524 2.363 1.00 64.43 C ATOM 589 CE2 TYR A 42 6.537 -11.815 3.899 1.00 73.25 C ATOM 590 CZ TYR A 42 6.855 -12.828 3.014 1.00 71.04 C ATOM 591 OH TYR A 42 8.175 -13.143 2.775 1.00 42.43 O ATOM 0 H TYR A 42 2.504 -9.480 4.487 1.00 54.01 H new ATOM 0 HA TYR A 42 2.818 -10.695 1.937 1.00 4.02 H new ATOM 0 HB2 TYR A 42 2.594 -11.560 4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.119 -12.751 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.758 -13.759 2.092 1.00 44.00 H new ATOM 0 HD2 TYR A 42 4.964 -10.713 4.828 1.00 15.50 H new ATOM 0 HE1 TYR A 42 6.111 -14.312 1.670 1.00 64.43 H new ATOM 0 HE2 TYR A 42 7.320 -11.270 4.404 1.00 73.25 H new ATOM 0 HH TYR A 42 8.270 -13.481 1.860 1.00 42.43 H new ATOM 601 N GLY A 43 -0.189 -10.311 3.019 1.00 5.35 N ATOM 602 CA GLY A 43 -1.580 -10.395 2.633 1.00 33.10 C ATOM 603 C GLY A 43 -1.935 -9.323 1.621 1.00 44.23 C ATOM 604 O GLY A 43 -1.942 -8.136 1.946 1.00 21.11 O ATOM 0 H GLY A 43 -0.003 -9.673 3.792 1.00 5.35 H new ATOM 0 HA2 GLY A 43 -1.784 -11.379 2.211 1.00 33.10 H new ATOM 0 HA3 GLY A 43 -2.212 -10.289 3.515 1.00 33.10 H new ATOM 608 N LEU A 44 -2.193 -9.734 0.387 1.00 60.24 N ATOM 609 CA LEU A 44 -2.588 -8.814 -0.672 1.00 33.42 C ATOM 610 C LEU A 44 -3.114 -9.586 -1.873 1.00 50.11 C ATOM 611 O LEU A 44 -2.703 -10.726 -2.118 1.00 62.44 O ATOM 612 CB LEU A 44 -1.415 -7.883 -1.069 1.00 3.02 C ATOM 613 CG LEU A 44 -0.048 -8.555 -1.352 1.00 54.21 C ATOM 614 CD1 LEU A 44 -0.047 -9.302 -2.686 1.00 3.30 C ATOM 615 CD2 LEU A 44 1.075 -7.518 -1.324 1.00 70.40 C ATOM 0 H LEU A 44 -2.135 -10.709 0.092 1.00 60.24 H new ATOM 0 HA LEU A 44 -3.392 -8.181 -0.296 1.00 33.42 H new ATOM 0 HB2 LEU A 44 -1.710 -7.327 -1.959 1.00 3.02 H new ATOM 0 HB3 LEU A 44 -1.275 -7.155 -0.270 1.00 3.02 H new ATOM 0 HG LEU A 44 0.125 -9.287 -0.563 1.00 54.21 H new ATOM 0 HD11 LEU A 44 0.930 -9.759 -2.847 1.00 3.30 H new ATOM 0 HD12 LEU A 44 -0.812 -10.078 -2.669 1.00 3.30 H new ATOM 0 HD13 LEU A 44 -0.258 -8.602 -3.495 1.00 3.30 H new ATOM 0 HD21 LEU A 44 2.028 -8.008 -1.525 1.00 70.40 H new ATOM 0 HD22 LEU A 44 0.889 -6.760 -2.085 1.00 70.40 H new ATOM 0 HD23 LEU A 44 1.110 -7.046 -0.342 1.00 70.40 H new ATOM 627 N ASP A 45 -4.038 -8.976 -2.603 1.00 64.15 N ATOM 628 CA ASP A 45 -4.592 -9.579 -3.806 1.00 11.23 C ATOM 629 C ASP A 45 -5.304 -8.515 -4.637 1.00 21.13 C ATOM 630 O ASP A 45 -6.199 -7.827 -4.144 1.00 61.41 O ATOM 631 CB ASP A 45 -5.566 -10.714 -3.448 1.00 74.45 C ATOM 632 CG ASP A 45 -5.925 -11.573 -4.651 1.00 4.14 C ATOM 633 OD1 ASP A 45 -6.890 -11.239 -5.369 1.00 1.31 O ATOM 634 OD2 ASP A 45 -5.235 -12.591 -4.885 1.00 32.32 O ATOM 0 H ASP A 45 -4.421 -8.057 -2.380 1.00 64.15 H new ATOM 0 HA ASP A 45 -3.776 -10.003 -4.391 1.00 11.23 H new ATOM 0 HB2 ASP A 45 -5.120 -11.342 -2.677 1.00 74.45 H new ATOM 0 HB3 ASP A 45 -6.476 -10.288 -3.025 1.00 74.45 H new ATOM 639 N VAL A 46 -4.878 -8.355 -5.880 1.00 53.02 N ATOM 640 CA VAL A 46 -5.511 -7.411 -6.794 1.00 20.03 C ATOM 641 C VAL A 46 -6.469 -8.145 -7.726 1.00 13.44 C ATOM 642 O VAL A 46 -6.063 -9.024 -8.490 1.00 65.30 O ATOM 643 CB VAL A 46 -4.461 -6.614 -7.616 1.00 35.21 C ATOM 644 CG1 VAL A 46 -3.469 -7.549 -8.301 1.00 75.31 C ATOM 645 CG2 VAL A 46 -5.142 -5.704 -8.639 1.00 1.21 C ATOM 0 H VAL A 46 -4.093 -8.868 -6.282 1.00 53.02 H new ATOM 0 HA VAL A 46 -6.072 -6.694 -6.195 1.00 20.03 H new ATOM 0 HB VAL A 46 -3.904 -5.987 -6.920 1.00 35.21 H new ATOM 0 HG11 VAL A 46 -2.747 -6.961 -8.868 1.00 75.31 H new ATOM 0 HG12 VAL A 46 -2.945 -8.139 -7.548 1.00 75.31 H new ATOM 0 HG13 VAL A 46 -4.005 -8.216 -8.976 1.00 75.31 H new ATOM 0 HG21 VAL A 46 -4.385 -5.157 -9.201 1.00 1.21 H new ATOM 0 HG22 VAL A 46 -5.737 -6.308 -9.324 1.00 1.21 H new ATOM 0 HG23 VAL A 46 -5.791 -4.997 -8.122 1.00 1.21 H new ATOM 655 N GLN A 47 -7.745 -7.794 -7.647 1.00 64.12 N ATOM 656 CA GLN A 47 -8.767 -8.440 -8.460 1.00 14.31 C ATOM 657 C GLN A 47 -9.345 -7.447 -9.463 1.00 35.33 C ATOM 658 O GLN A 47 -9.591 -6.282 -9.136 1.00 40.23 O ATOM 659 CB GLN A 47 -9.879 -9.026 -7.579 1.00 74.12 C ATOM 660 CG GLN A 47 -10.592 -8.003 -6.706 1.00 35.02 C ATOM 661 CD GLN A 47 -11.770 -8.599 -5.954 1.00 65.45 C ATOM 662 OE1 GLN A 47 -12.408 -9.544 -6.424 1.00 34.01 O ATOM 663 NE2 GLN A 47 -12.077 -8.045 -4.794 1.00 13.12 N ATOM 0 H GLN A 47 -8.098 -7.065 -7.027 1.00 64.12 H new ATOM 0 HA GLN A 47 -8.304 -9.261 -9.007 1.00 14.31 H new ATOM 0 HB2 GLN A 47 -10.614 -9.515 -8.219 1.00 74.12 H new ATOM 0 HB3 GLN A 47 -9.451 -9.797 -6.939 1.00 74.12 H new ATOM 0 HG2 GLN A 47 -9.884 -7.584 -5.991 1.00 35.02 H new ATOM 0 HG3 GLN A 47 -10.942 -7.180 -7.329 1.00 35.02 H new ATOM 0 HE21 GLN A 47 -11.524 -7.265 -4.439 1.00 13.12 H new ATOM 0 HE22 GLN A 47 -12.867 -8.398 -4.253 1.00 13.12 H new ATOM 672 N ASP A 48 -9.536 -7.909 -10.688 1.00 12.30 N ATOM 673 CA ASP A 48 -10.074 -7.073 -11.754 1.00 10.22 C ATOM 674 C ASP A 48 -11.589 -7.205 -11.810 1.00 55.22 C ATOM 675 O ASP A 48 -12.151 -8.222 -11.390 1.00 43.41 O ATOM 676 CB ASP A 48 -9.461 -7.463 -13.105 1.00 74.00 C ATOM 677 CG ASP A 48 -9.817 -8.881 -13.527 1.00 63.32 C ATOM 678 OD1 ASP A 48 -10.634 -9.045 -14.460 1.00 52.33 O ATOM 679 OD2 ASP A 48 -9.281 -9.838 -12.928 1.00 64.51 O ATOM 0 H ASP A 48 -9.325 -8.866 -10.972 1.00 12.30 H new ATOM 0 HA ASP A 48 -9.817 -6.035 -11.543 1.00 10.22 H new ATOM 0 HB2 ASP A 48 -9.803 -6.765 -13.869 1.00 74.00 H new ATOM 0 HB3 ASP A 48 -8.377 -7.367 -13.048 1.00 74.00 H new ATOM 684 N GLY A 49 -12.246 -6.174 -12.322 1.00 15.44 N ATOM 685 CA GLY A 49 -13.690 -6.181 -12.422 1.00 13.02 C ATOM 686 C GLY A 49 -14.187 -5.282 -13.536 1.00 72.42 C ATOM 687 O GLY A 49 -13.452 -4.412 -14.014 1.00 15.24 O ATOM 0 H GLY A 49 -11.800 -5.326 -12.672 1.00 15.44 H new ATOM 0 HA2 GLY A 49 -14.036 -7.200 -12.597 1.00 13.02 H new ATOM 0 HA3 GLY A 49 -14.120 -5.856 -11.475 1.00 13.02 H new ATOM 691 N ASP A 50 -15.435 -5.488 -13.944 1.00 45.02 N ATOM 692 CA ASP A 50 -16.049 -4.697 -15.011 1.00 14.44 C ATOM 693 C ASP A 50 -16.172 -3.236 -14.590 1.00 35.43 C ATOM 694 O ASP A 50 -16.134 -2.327 -15.423 1.00 54.33 O ATOM 695 CB ASP A 50 -17.427 -5.268 -15.364 1.00 23.00 C ATOM 696 CG ASP A 50 -18.113 -4.497 -16.482 1.00 50.42 C ATOM 697 OD1 ASP A 50 -19.116 -3.800 -16.213 1.00 13.43 O ATOM 698 OD2 ASP A 50 -17.659 -4.589 -17.641 1.00 64.41 O ATOM 0 H ASP A 50 -16.048 -6.202 -13.549 1.00 45.02 H new ATOM 0 HA ASP A 50 -15.411 -4.748 -15.893 1.00 14.44 H new ATOM 0 HB2 ASP A 50 -17.318 -6.311 -15.661 1.00 23.00 H new ATOM 0 HB3 ASP A 50 -18.060 -5.254 -14.477 1.00 23.00 H new ATOM 703 N GLU A 51 -16.316 -3.021 -13.289 1.00 55.34 N ATOM 704 CA GLU A 51 -16.412 -1.678 -12.731 1.00 71.24 C ATOM 705 C GLU A 51 -15.021 -1.054 -12.635 1.00 42.32 C ATOM 706 O GLU A 51 -14.877 0.169 -12.634 1.00 3.50 O ATOM 707 CB GLU A 51 -17.068 -1.703 -11.340 1.00 4.03 C ATOM 708 CG GLU A 51 -18.376 -2.493 -11.271 1.00 43.44 C ATOM 709 CD GLU A 51 -18.158 -3.991 -11.105 1.00 54.00 C ATOM 710 OE1 GLU A 51 -18.051 -4.453 -9.949 1.00 10.13 O ATOM 711 OE2 GLU A 51 -18.086 -4.715 -12.118 1.00 35.14 O ATOM 0 H GLU A 51 -16.369 -3.766 -12.595 1.00 55.34 H new ATOM 0 HA GLU A 51 -17.036 -1.078 -13.394 1.00 71.24 H new ATOM 0 HB2 GLU A 51 -16.362 -2.129 -10.627 1.00 4.03 H new ATOM 0 HB3 GLU A 51 -17.260 -0.678 -11.024 1.00 4.03 H new ATOM 0 HG2 GLU A 51 -18.974 -2.124 -10.438 1.00 43.44 H new ATOM 0 HG3 GLU A 51 -18.951 -2.313 -12.180 1.00 43.44 H new ATOM 718 N GLY A 52 -14.004 -1.905 -12.560 1.00 4.54 N ATOM 719 CA GLY A 52 -12.634 -1.444 -12.447 1.00 4.23 C ATOM 720 C GLY A 52 -11.746 -2.470 -11.777 1.00 44.22 C ATOM 721 O GLY A 52 -12.239 -3.432 -11.184 1.00 3.12 O ATOM 0 H GLY A 52 -14.108 -2.920 -12.576 1.00 4.54 H new ATOM 0 HA2 GLY A 52 -12.244 -1.219 -13.440 1.00 4.23 H new ATOM 0 HA3 GLY A 52 -12.609 -0.515 -11.877 1.00 4.23 H new ATOM 725 N THR A 53 -10.441 -2.272 -11.870 1.00 32.55 N ATOM 726 CA THR A 53 -9.472 -3.165 -11.249 1.00 23.24 C ATOM 727 C THR A 53 -9.092 -2.638 -9.863 1.00 24.05 C ATOM 728 O THR A 53 -8.592 -1.516 -9.736 1.00 24.45 O ATOM 729 CB THR A 53 -8.209 -3.286 -12.130 1.00 72.11 C ATOM 730 OG1 THR A 53 -8.598 -3.552 -13.489 1.00 41.04 O ATOM 731 CG2 THR A 53 -7.282 -4.393 -11.629 1.00 70.23 C ATOM 0 H THR A 53 -10.023 -1.491 -12.376 1.00 32.55 H new ATOM 0 HA THR A 53 -9.922 -4.152 -11.147 1.00 23.24 H new ATOM 0 HB THR A 53 -7.663 -2.344 -12.077 1.00 72.11 H new ATOM 0 HG1 THR A 53 -7.798 -3.627 -14.050 1.00 41.04 H new ATOM 0 HG21 THR A 53 -6.404 -4.451 -12.272 1.00 70.23 H new ATOM 0 HG22 THR A 53 -6.971 -4.173 -10.608 1.00 70.23 H new ATOM 0 HG23 THR A 53 -7.810 -5.347 -11.650 1.00 70.23 H new ATOM 739 N VAL A 54 -9.335 -3.437 -8.825 1.00 12.41 N ATOM 740 CA VAL A 54 -9.099 -3.000 -7.450 1.00 10.12 C ATOM 741 C VAL A 54 -7.999 -3.829 -6.780 1.00 70.15 C ATOM 742 O VAL A 54 -7.995 -5.064 -6.849 1.00 1.21 O ATOM 743 CB VAL A 54 -10.401 -3.058 -6.605 1.00 13.23 C ATOM 744 CG1 VAL A 54 -10.977 -4.472 -6.576 1.00 13.10 C ATOM 745 CG2 VAL A 54 -10.154 -2.540 -5.187 1.00 73.45 C ATOM 0 H VAL A 54 -9.694 -4.388 -8.910 1.00 12.41 H new ATOM 0 HA VAL A 54 -8.766 -1.963 -7.498 1.00 10.12 H new ATOM 0 HB VAL A 54 -11.136 -2.408 -7.080 1.00 13.23 H new ATOM 0 HG11 VAL A 54 -11.888 -4.482 -5.977 1.00 13.10 H new ATOM 0 HG12 VAL A 54 -11.207 -4.792 -7.592 1.00 13.10 H new ATOM 0 HG13 VAL A 54 -10.247 -5.153 -6.138 1.00 13.10 H new ATOM 0 HG21 VAL A 54 -11.080 -2.591 -4.615 1.00 73.45 H new ATOM 0 HG22 VAL A 54 -9.394 -3.154 -4.703 1.00 73.45 H new ATOM 0 HG23 VAL A 54 -9.811 -1.506 -5.232 1.00 73.45 H new ATOM 755 N ALA A 55 -7.056 -3.131 -6.152 1.00 12.41 N ATOM 756 CA ALA A 55 -5.955 -3.772 -5.435 1.00 40.42 C ATOM 757 C ALA A 55 -6.252 -3.830 -3.938 1.00 21.00 C ATOM 758 O ALA A 55 -6.376 -2.791 -3.281 1.00 31.40 O ATOM 759 CB ALA A 55 -4.652 -3.017 -5.685 1.00 53.12 C ATOM 0 H ALA A 55 -7.032 -2.112 -6.125 1.00 12.41 H new ATOM 0 HA ALA A 55 -5.848 -4.791 -5.806 1.00 40.42 H new ATOM 0 HB1 ALA A 55 -3.840 -3.504 -5.146 1.00 53.12 H new ATOM 0 HB2 ALA A 55 -4.430 -3.017 -6.752 1.00 53.12 H new ATOM 0 HB3 ALA A 55 -4.754 -1.989 -5.336 1.00 53.12 H new ATOM 765 N LEU A 56 -6.379 -5.039 -3.403 1.00 55.10 N ATOM 766 CA LEU A 56 -6.640 -5.229 -1.978 1.00 50.44 C ATOM 767 C LEU A 56 -5.334 -5.492 -1.237 1.00 24.32 C ATOM 768 O LEU A 56 -4.655 -6.482 -1.501 1.00 13.11 O ATOM 769 CB LEU A 56 -7.601 -6.407 -1.763 1.00 44.31 C ATOM 770 CG LEU A 56 -8.903 -6.352 -2.575 1.00 34.53 C ATOM 771 CD1 LEU A 56 -9.765 -7.588 -2.306 1.00 71.44 C ATOM 772 CD2 LEU A 56 -9.672 -5.064 -2.276 1.00 21.35 C ATOM 0 H LEU A 56 -6.305 -5.906 -3.935 1.00 55.10 H new ATOM 0 HA LEU A 56 -7.099 -4.321 -1.587 1.00 50.44 H new ATOM 0 HB2 LEU A 56 -7.077 -7.331 -2.010 1.00 44.31 H new ATOM 0 HB3 LEU A 56 -7.855 -6.458 -0.704 1.00 44.31 H new ATOM 0 HG LEU A 56 -8.647 -6.351 -3.634 1.00 34.53 H new ATOM 0 HD11 LEU A 56 -10.682 -7.527 -2.892 1.00 71.44 H new ATOM 0 HD12 LEU A 56 -9.213 -8.485 -2.588 1.00 71.44 H new ATOM 0 HD13 LEU A 56 -10.014 -7.634 -1.246 1.00 71.44 H new ATOM 0 HD21 LEU A 56 -10.591 -5.045 -2.861 1.00 21.35 H new ATOM 0 HD22 LEU A 56 -9.917 -5.025 -1.215 1.00 21.35 H new ATOM 0 HD23 LEU A 56 -9.057 -4.204 -2.539 1.00 21.35 H new ATOM 784 N ILE A 57 -4.983 -4.602 -0.320 1.00 1.44 N ATOM 785 CA ILE A 57 -3.765 -4.743 0.473 1.00 74.40 C ATOM 786 C ILE A 57 -4.128 -4.939 1.946 1.00 24.12 C ATOM 787 O ILE A 57 -4.757 -4.071 2.552 1.00 14.42 O ATOM 788 CB ILE A 57 -2.850 -3.498 0.332 1.00 74.13 C ATOM 789 CG1 ILE A 57 -2.584 -3.176 -1.151 1.00 65.44 C ATOM 790 CG2 ILE A 57 -1.531 -3.714 1.076 1.00 73.22 C ATOM 791 CD1 ILE A 57 -1.877 -4.284 -1.908 1.00 34.44 C ATOM 0 H ILE A 57 -5.528 -3.767 -0.104 1.00 1.44 H new ATOM 0 HA ILE A 57 -3.222 -5.612 0.102 1.00 74.40 H new ATOM 0 HB ILE A 57 -3.365 -2.647 0.778 1.00 74.13 H new ATOM 0 HG12 ILE A 57 -3.534 -2.964 -1.642 1.00 65.44 H new ATOM 0 HG13 ILE A 57 -1.984 -2.268 -1.213 1.00 65.44 H new ATOM 0 HG21 ILE A 57 -0.902 -2.830 0.966 1.00 73.22 H new ATOM 0 HG22 ILE A 57 -1.733 -3.886 2.133 1.00 73.22 H new ATOM 0 HG23 ILE A 57 -1.016 -4.580 0.660 1.00 73.22 H new ATOM 0 HD11 ILE A 57 -1.727 -3.979 -2.944 1.00 34.44 H new ATOM 0 HD12 ILE A 57 -0.910 -4.482 -1.445 1.00 34.44 H new ATOM 0 HD13 ILE A 57 -2.485 -5.189 -1.880 1.00 34.44 H new ATOM 803 N ASP A 58 -3.754 -6.083 2.505 1.00 12.15 N ATOM 804 CA ASP A 58 -4.038 -6.390 3.908 1.00 42.22 C ATOM 805 C ASP A 58 -2.903 -5.864 4.786 1.00 23.34 C ATOM 806 O ASP A 58 -1.752 -6.274 4.639 1.00 13.23 O ATOM 807 CB ASP A 58 -4.217 -7.906 4.106 1.00 34.04 C ATOM 808 CG ASP A 58 -5.339 -8.481 3.249 1.00 35.34 C ATOM 809 OD1 ASP A 58 -5.055 -9.052 2.174 1.00 34.55 O ATOM 810 OD2 ASP A 58 -6.520 -8.358 3.639 1.00 42.13 O ATOM 0 H ASP A 58 -3.251 -6.819 2.009 1.00 12.15 H new ATOM 0 HA ASP A 58 -4.968 -5.901 4.197 1.00 42.22 H new ATOM 0 HB2 ASP A 58 -3.283 -8.413 3.863 1.00 34.04 H new ATOM 0 HB3 ASP A 58 -4.426 -8.109 5.156 1.00 34.04 H new ATOM 815 N MET A 59 -3.229 -4.943 5.690 1.00 40.33 N ATOM 816 CA MET A 59 -2.228 -4.277 6.522 1.00 10.22 C ATOM 817 C MET A 59 -2.733 -4.077 7.944 1.00 0.33 C ATOM 818 O MET A 59 -3.900 -4.308 8.241 1.00 10.12 O ATOM 819 CB MET A 59 -1.851 -2.910 5.934 1.00 45.32 C ATOM 820 CG MET A 59 -1.040 -2.977 4.651 1.00 23.43 C ATOM 821 SD MET A 59 -0.549 -1.342 4.073 1.00 15.02 S ATOM 822 CE MET A 59 0.288 -0.707 5.526 1.00 25.31 C ATOM 0 H MET A 59 -4.186 -4.639 5.866 1.00 40.33 H new ATOM 0 HA MET A 59 -1.350 -4.922 6.542 1.00 10.22 H new ATOM 0 HB2 MET A 59 -2.764 -2.347 5.742 1.00 45.32 H new ATOM 0 HB3 MET A 59 -1.283 -2.352 6.679 1.00 45.32 H new ATOM 0 HG2 MET A 59 -0.150 -3.585 4.816 1.00 23.43 H new ATOM 0 HG3 MET A 59 -1.626 -3.474 3.878 1.00 23.43 H new ATOM 0 HE1 MET A 59 0.860 0.181 5.257 1.00 25.31 H new ATOM 0 HE2 MET A 59 -0.449 -0.448 6.286 1.00 25.31 H new ATOM 0 HE3 MET A 59 0.963 -1.468 5.919 1.00 25.31 H new ATOM 832 N THR A 60 -1.831 -3.653 8.817 1.00 13.21 N ATOM 833 CA THR A 60 -2.171 -3.286 10.182 1.00 51.23 C ATOM 834 C THR A 60 -1.249 -2.158 10.636 1.00 24.43 C ATOM 835 O THR A 60 -0.333 -1.771 9.903 1.00 51.53 O ATOM 836 CB THR A 60 -2.050 -4.491 11.149 1.00 22.14 C ATOM 837 OG1 THR A 60 -2.630 -4.161 12.419 1.00 61.52 O ATOM 838 CG2 THR A 60 -0.593 -4.908 11.346 1.00 42.33 C ATOM 0 H THR A 60 -0.840 -3.554 8.597 1.00 13.21 H new ATOM 0 HA THR A 60 -3.210 -2.956 10.202 1.00 51.23 H new ATOM 0 HB THR A 60 -2.587 -5.329 10.704 1.00 22.14 H new ATOM 0 HG1 THR A 60 -3.445 -4.689 12.554 1.00 61.52 H new ATOM 0 HG21 THR A 60 -0.546 -5.755 12.030 1.00 42.33 H new ATOM 0 HG22 THR A 60 -0.163 -5.193 10.386 1.00 42.33 H new ATOM 0 HG23 THR A 60 -0.029 -4.074 11.763 1.00 42.33 H new ATOM 846 N LEU A 61 -1.486 -1.630 11.830 1.00 52.04 N ATOM 847 CA LEU A 61 -0.665 -0.550 12.370 1.00 55.14 C ATOM 848 C LEU A 61 0.176 -1.077 13.527 1.00 62.22 C ATOM 849 O LEU A 61 -0.243 -1.993 14.231 1.00 11.40 O ATOM 850 CB LEU A 61 -1.535 0.636 12.830 1.00 53.43 C ATOM 851 CG LEU A 61 -2.361 1.336 11.726 1.00 10.41 C ATOM 852 CD1 LEU A 61 -1.487 1.693 10.522 1.00 2.03 C ATOM 853 CD2 LEU A 61 -3.552 0.479 11.300 1.00 63.21 C ATOM 0 H LEU A 61 -2.241 -1.932 12.445 1.00 52.04 H new ATOM 0 HA LEU A 61 -0.005 -0.188 11.581 1.00 55.14 H new ATOM 0 HB2 LEU A 61 -2.220 0.282 13.600 1.00 53.43 H new ATOM 0 HB3 LEU A 61 -0.887 1.377 13.297 1.00 53.43 H new ATOM 0 HG LEU A 61 -2.749 2.265 12.145 1.00 10.41 H new ATOM 0 HD11 LEU A 61 -2.096 2.184 9.763 1.00 2.03 H new ATOM 0 HD12 LEU A 61 -0.690 2.366 10.838 1.00 2.03 H new ATOM 0 HD13 LEU A 61 -1.052 0.784 10.106 1.00 2.03 H new ATOM 0 HD21 LEU A 61 -4.114 0.997 10.523 1.00 63.21 H new ATOM 0 HD22 LEU A 61 -3.194 -0.475 10.914 1.00 63.21 H new ATOM 0 HD23 LEU A 61 -4.199 0.303 12.159 1.00 63.21 H new ATOM 865 N THR A 62 1.345 -0.469 13.726 1.00 22.44 N ATOM 866 CA THR A 62 2.332 -0.935 14.703 1.00 53.13 C ATOM 867 C THR A 62 1.703 -1.258 16.064 1.00 33.52 C ATOM 868 O THR A 62 1.858 -2.365 16.584 1.00 44.12 O ATOM 869 CB THR A 62 3.441 0.124 14.886 1.00 64.44 C ATOM 870 OG1 THR A 62 2.845 1.409 15.133 1.00 73.12 O ATOM 871 CG2 THR A 62 4.335 0.205 13.649 1.00 1.30 C ATOM 0 H THR A 62 1.636 0.363 13.213 1.00 22.44 H new ATOM 0 HA THR A 62 2.758 -1.858 14.309 1.00 53.13 H new ATOM 0 HB THR A 62 4.057 -0.169 15.736 1.00 64.44 H new ATOM 0 HG1 THR A 62 1.925 1.414 14.794 1.00 73.12 H new ATOM 0 HG21 THR A 62 5.107 0.959 13.806 1.00 1.30 H new ATOM 0 HG22 THR A 62 4.804 -0.763 13.475 1.00 1.30 H new ATOM 0 HG23 THR A 62 3.733 0.478 12.782 1.00 1.30 H new ATOM 879 N SER A 63 0.993 -0.287 16.631 1.00 12.13 N ATOM 880 CA SER A 63 0.344 -0.467 17.928 1.00 25.04 C ATOM 881 C SER A 63 -1.163 -0.674 17.753 1.00 73.51 C ATOM 882 O SER A 63 -1.886 -0.857 18.729 1.00 5.34 O ATOM 883 CB SER A 63 0.615 0.752 18.827 1.00 43.33 C ATOM 884 OG SER A 63 0.057 0.585 20.123 1.00 70.20 O ATOM 0 H SER A 63 0.852 0.633 16.214 1.00 12.13 H new ATOM 0 HA SER A 63 0.759 -1.356 18.404 1.00 25.04 H new ATOM 0 HB2 SER A 63 1.690 0.910 18.912 1.00 43.33 H new ATOM 0 HB3 SER A 63 0.197 1.646 18.364 1.00 43.33 H new ATOM 0 HG SER A 63 -0.728 0.001 20.068 1.00 70.20 H new ATOM 890 N ALA A 64 -1.621 -0.628 16.498 1.00 32.40 N ATOM 891 CA ALA A 64 -3.047 -0.764 16.158 1.00 41.44 C ATOM 892 C ALA A 64 -3.905 0.331 16.808 1.00 0.51 C ATOM 893 O ALA A 64 -5.133 0.296 16.734 1.00 32.12 O ATOM 894 CB ALA A 64 -3.560 -2.151 16.542 1.00 33.01 C ATOM 0 H ALA A 64 -1.017 -0.496 15.687 1.00 32.40 H new ATOM 0 HA ALA A 64 -3.135 -0.642 15.078 1.00 41.44 H new ATOM 0 HB1 ALA A 64 -4.616 -2.233 16.283 1.00 33.01 H new ATOM 0 HB2 ALA A 64 -2.994 -2.910 16.002 1.00 33.01 H new ATOM 0 HB3 ALA A 64 -3.437 -2.300 17.615 1.00 33.01 H new ATOM 900 N ALA A 65 -3.249 1.315 17.419 1.00 31.51 N ATOM 901 CA ALA A 65 -3.934 2.458 18.021 1.00 21.31 C ATOM 902 C ALA A 65 -3.467 3.752 17.361 1.00 1.02 C ATOM 903 O ALA A 65 -4.116 4.793 17.465 1.00 23.40 O ATOM 904 CB ALA A 65 -3.677 2.498 19.525 1.00 41.32 C ATOM 0 H ALA A 65 -2.234 1.344 17.511 1.00 31.51 H new ATOM 0 HA ALA A 65 -5.007 2.353 17.860 1.00 21.31 H new ATOM 0 HB1 ALA A 65 -4.193 3.354 19.960 1.00 41.32 H new ATOM 0 HB2 ALA A 65 -4.048 1.580 19.982 1.00 41.32 H new ATOM 0 HB3 ALA A 65 -2.606 2.588 19.709 1.00 41.32 H new ATOM 910 N CYS A 66 -2.333 3.662 16.679 1.00 0.31 N ATOM 911 CA CYS A 66 -1.722 4.801 16.012 1.00 21.11 C ATOM 912 C CYS A 66 -2.289 4.959 14.595 1.00 5.52 C ATOM 913 O CYS A 66 -2.087 4.088 13.744 1.00 71.13 O ATOM 914 CB CYS A 66 -0.203 4.598 15.981 1.00 41.44 C ATOM 915 SG CYS A 66 0.304 2.932 15.483 1.00 34.42 S ATOM 0 H CYS A 66 -1.810 2.793 16.573 1.00 0.31 H new ATOM 0 HA CYS A 66 -1.949 5.716 16.559 1.00 21.11 H new ATOM 0 HB2 CYS A 66 0.237 5.322 15.294 1.00 41.44 H new ATOM 0 HB3 CYS A 66 0.202 4.810 16.970 1.00 41.44 H new ATOM 0 HG CYS A 66 1.552 2.746 15.797 1.00 34.42 H new ATOM 921 N PRO A 67 -3.017 6.061 14.321 1.00 14.52 N ATOM 922 CA PRO A 67 -3.655 6.294 13.021 1.00 53.34 C ATOM 923 C PRO A 67 -2.651 6.653 11.920 1.00 24.35 C ATOM 924 O PRO A 67 -2.540 7.810 11.516 1.00 54.53 O ATOM 925 CB PRO A 67 -4.630 7.467 13.286 1.00 62.25 C ATOM 926 CG PRO A 67 -4.625 7.665 14.770 1.00 43.35 C ATOM 927 CD PRO A 67 -3.290 7.167 15.251 1.00 12.21 C ATOM 0 HA PRO A 67 -4.152 5.395 12.655 1.00 53.34 H new ATOM 0 HB2 PRO A 67 -4.307 8.370 12.769 1.00 62.25 H new ATOM 0 HB3 PRO A 67 -5.632 7.234 12.925 1.00 62.25 H new ATOM 0 HG2 PRO A 67 -4.764 8.716 15.024 1.00 43.35 H new ATOM 0 HG3 PRO A 67 -5.439 7.113 15.240 1.00 43.35 H new ATOM 0 HD2 PRO A 67 -2.524 7.941 15.199 1.00 12.21 H new ATOM 0 HD3 PRO A 67 -3.331 6.828 16.286 1.00 12.21 H new ATOM 935 N LEU A 68 -1.898 5.656 11.459 1.00 34.42 N ATOM 936 CA LEU A 68 -1.013 5.820 10.299 1.00 62.22 C ATOM 937 C LEU A 68 -1.735 5.373 9.030 1.00 34.42 C ATOM 938 O LEU A 68 -1.137 5.274 7.951 1.00 74.11 O ATOM 939 CB LEU A 68 0.295 5.021 10.481 1.00 2.55 C ATOM 940 CG LEU A 68 1.352 5.651 11.408 1.00 11.03 C ATOM 941 CD1 LEU A 68 1.814 7.004 10.870 1.00 11.32 C ATOM 942 CD2 LEU A 68 0.827 5.785 12.833 1.00 62.04 C ATOM 0 H LEU A 68 -1.881 4.723 11.870 1.00 34.42 H new ATOM 0 HA LEU A 68 -0.752 6.875 10.211 1.00 62.22 H new ATOM 0 HB2 LEU A 68 0.043 4.034 10.869 1.00 2.55 H new ATOM 0 HB3 LEU A 68 0.745 4.872 9.500 1.00 2.55 H new ATOM 0 HG LEU A 68 2.213 4.983 11.431 1.00 11.03 H new ATOM 0 HD11 LEU A 68 2.560 7.428 11.543 1.00 11.32 H new ATOM 0 HD12 LEU A 68 2.251 6.872 9.880 1.00 11.32 H new ATOM 0 HD13 LEU A 68 0.961 7.679 10.803 1.00 11.32 H new ATOM 0 HD21 LEU A 68 1.595 6.233 13.463 1.00 62.04 H new ATOM 0 HD22 LEU A 68 -0.060 6.419 12.836 1.00 62.04 H new ATOM 0 HD23 LEU A 68 0.569 4.799 13.220 1.00 62.04 H new ATOM 954 N THR A 69 -3.033 5.124 9.163 1.00 23.12 N ATOM 955 CA THR A 69 -3.833 4.645 8.051 1.00 52.55 C ATOM 956 C THR A 69 -3.813 5.654 6.900 1.00 4.11 C ATOM 957 O THR A 69 -3.741 5.273 5.738 1.00 42.21 O ATOM 958 CB THR A 69 -5.291 4.339 8.478 1.00 44.11 C ATOM 959 OG1 THR A 69 -6.000 3.723 7.395 1.00 14.22 O ATOM 960 CG2 THR A 69 -6.026 5.601 8.927 1.00 52.43 C ATOM 0 H THR A 69 -3.551 5.247 10.033 1.00 23.12 H new ATOM 0 HA THR A 69 -3.389 3.710 7.709 1.00 52.55 H new ATOM 0 HB THR A 69 -5.251 3.656 9.326 1.00 44.11 H new ATOM 0 HG1 THR A 69 -6.419 2.894 7.708 1.00 14.22 H new ATOM 0 HG21 THR A 69 -7.045 5.345 9.218 1.00 52.43 H new ATOM 0 HG22 THR A 69 -5.506 6.042 9.777 1.00 52.43 H new ATOM 0 HG23 THR A 69 -6.053 6.318 8.106 1.00 52.43 H new ATOM 968 N ASP A 70 -3.834 6.942 7.239 1.00 31.12 N ATOM 969 CA ASP A 70 -3.829 8.004 6.235 1.00 4.43 C ATOM 970 C ASP A 70 -2.601 7.876 5.339 1.00 71.42 C ATOM 971 O ASP A 70 -2.711 7.808 4.110 1.00 70.53 O ATOM 972 CB ASP A 70 -3.831 9.385 6.912 1.00 4.43 C ATOM 973 CG ASP A 70 -4.918 9.527 7.967 1.00 3.14 C ATOM 974 OD1 ASP A 70 -4.696 9.085 9.115 1.00 5.13 O ATOM 975 OD2 ASP A 70 -5.994 10.085 7.664 1.00 0.50 O ATOM 0 H ASP A 70 -3.855 7.275 8.203 1.00 31.12 H new ATOM 0 HA ASP A 70 -4.729 7.906 5.628 1.00 4.43 H new ATOM 0 HB2 ASP A 70 -2.859 9.559 7.374 1.00 4.43 H new ATOM 0 HB3 ASP A 70 -3.966 10.156 6.153 1.00 4.43 H new ATOM 980 N VAL A 71 -1.426 7.815 5.965 1.00 52.03 N ATOM 981 CA VAL A 71 -0.176 7.770 5.221 1.00 4.43 C ATOM 982 C VAL A 71 -0.058 6.470 4.426 1.00 11.35 C ATOM 983 O VAL A 71 0.258 6.506 3.240 1.00 54.24 O ATOM 984 CB VAL A 71 1.072 7.970 6.130 1.00 53.12 C ATOM 985 CG1 VAL A 71 1.197 6.869 7.177 1.00 74.11 C ATOM 986 CG2 VAL A 71 2.346 8.065 5.288 1.00 71.23 C ATOM 0 H VAL A 71 -1.318 7.796 6.979 1.00 52.03 H new ATOM 0 HA VAL A 71 -0.200 8.608 4.524 1.00 4.43 H new ATOM 0 HB VAL A 71 0.937 8.911 6.664 1.00 53.12 H new ATOM 0 HG11 VAL A 71 2.081 7.048 7.789 1.00 74.11 H new ATOM 0 HG12 VAL A 71 0.311 6.868 7.811 1.00 74.11 H new ATOM 0 HG13 VAL A 71 1.289 5.903 6.680 1.00 74.11 H new ATOM 0 HG21 VAL A 71 3.206 8.205 5.943 1.00 71.23 H new ATOM 0 HG22 VAL A 71 2.472 7.147 4.714 1.00 71.23 H new ATOM 0 HG23 VAL A 71 2.269 8.911 4.606 1.00 71.23 H new ATOM 996 N ILE A 72 -0.353 5.324 5.054 1.00 1.25 N ATOM 997 CA ILE A 72 -0.234 4.041 4.353 1.00 71.33 C ATOM 998 C ILE A 72 -1.197 3.974 3.161 1.00 2.43 C ATOM 999 O ILE A 72 -0.849 3.466 2.087 1.00 35.33 O ATOM 1000 CB ILE A 72 -0.466 2.831 5.283 1.00 72.13 C ATOM 1001 CG1 ILE A 72 -1.907 2.788 5.793 1.00 42.23 C ATOM 1002 CG2 ILE A 72 0.523 2.862 6.448 1.00 71.12 C ATOM 1003 CD1 ILE A 72 -2.199 1.582 6.647 1.00 55.43 C ATOM 0 H ILE A 72 -0.668 5.259 6.022 1.00 1.25 H new ATOM 0 HA ILE A 72 0.792 3.985 3.991 1.00 71.33 H new ATOM 0 HB ILE A 72 -0.296 1.922 4.705 1.00 72.13 H new ATOM 0 HG12 ILE A 72 -2.108 3.691 6.370 1.00 42.23 H new ATOM 0 HG13 ILE A 72 -2.587 2.795 4.941 1.00 42.23 H new ATOM 0 HG21 ILE A 72 0.349 2.003 7.096 1.00 71.12 H new ATOM 0 HG22 ILE A 72 1.542 2.824 6.062 1.00 71.12 H new ATOM 0 HG23 ILE A 72 0.385 3.781 7.018 1.00 71.12 H new ATOM 0 HD11 ILE A 72 -3.238 1.612 6.976 1.00 55.43 H new ATOM 0 HD12 ILE A 72 -2.029 0.675 6.067 1.00 55.43 H new ATOM 0 HD13 ILE A 72 -1.542 1.585 7.517 1.00 55.43 H new ATOM 1015 N GLU A 73 -2.400 4.513 3.351 1.00 12.12 N ATOM 1016 CA GLU A 73 -3.408 4.540 2.300 1.00 45.31 C ATOM 1017 C GLU A 73 -2.958 5.419 1.147 1.00 53.24 C ATOM 1018 O GLU A 73 -3.109 5.047 -0.020 1.00 43.11 O ATOM 1019 CB GLU A 73 -4.757 5.031 2.843 1.00 34.43 C ATOM 1020 CG GLU A 73 -5.524 3.963 3.613 1.00 40.11 C ATOM 1021 CD GLU A 73 -6.880 4.451 4.113 1.00 50.22 C ATOM 1022 OE1 GLU A 73 -6.910 5.253 5.074 1.00 13.42 O ATOM 1023 OE2 GLU A 73 -7.920 4.039 3.552 1.00 42.53 O ATOM 0 H GLU A 73 -2.699 4.938 4.229 1.00 12.12 H new ATOM 0 HA GLU A 73 -3.535 3.521 1.934 1.00 45.31 H new ATOM 0 HB2 GLU A 73 -4.588 5.888 3.495 1.00 34.43 H new ATOM 0 HB3 GLU A 73 -5.370 5.380 2.012 1.00 34.43 H new ATOM 0 HG2 GLU A 73 -5.670 3.094 2.971 1.00 40.11 H new ATOM 0 HG3 GLU A 73 -4.926 3.635 4.463 1.00 40.11 H new ATOM 1030 N ASP A 74 -2.399 6.579 1.468 1.00 41.25 N ATOM 1031 CA ASP A 74 -1.949 7.502 0.436 1.00 64.10 C ATOM 1032 C ASP A 74 -0.741 6.926 -0.299 1.00 23.14 C ATOM 1033 O ASP A 74 -0.643 7.042 -1.515 1.00 31.34 O ATOM 1034 CB ASP A 74 -1.615 8.879 1.013 1.00 4.55 C ATOM 1035 CG ASP A 74 -1.439 9.909 -0.092 1.00 71.25 C ATOM 1036 OD1 ASP A 74 -2.464 10.355 -0.658 1.00 34.21 O ATOM 1037 OD2 ASP A 74 -0.287 10.263 -0.417 1.00 42.23 O ATOM 0 H ASP A 74 -2.248 6.900 2.424 1.00 41.25 H new ATOM 0 HA ASP A 74 -2.768 7.632 -0.271 1.00 64.10 H new ATOM 0 HB2 ASP A 74 -2.411 9.197 1.687 1.00 4.55 H new ATOM 0 HB3 ASP A 74 -0.702 8.817 1.605 1.00 4.55 H new ATOM 1042 N GLN A 75 0.162 6.289 0.446 1.00 65.33 N ATOM 1043 CA GLN A 75 1.324 5.622 -0.146 1.00 31.14 C ATOM 1044 C GLN A 75 0.872 4.598 -1.186 1.00 43.32 C ATOM 1045 O GLN A 75 1.321 4.617 -2.336 1.00 65.23 O ATOM 1046 CB GLN A 75 2.164 4.925 0.935 1.00 63.11 C ATOM 1047 CG GLN A 75 2.883 5.882 1.880 1.00 1.30 C ATOM 1048 CD GLN A 75 3.609 5.163 3.009 1.00 35.23 C ATOM 1049 OE1 GLN A 75 3.182 4.101 3.464 1.00 51.41 O ATOM 1050 NE2 GLN A 75 4.714 5.734 3.466 1.00 31.25 N ATOM 0 H GLN A 75 0.112 6.220 1.462 1.00 65.33 H new ATOM 0 HA GLN A 75 1.939 6.380 -0.630 1.00 31.14 H new ATOM 0 HB2 GLN A 75 1.515 4.273 1.520 1.00 63.11 H new ATOM 0 HB3 GLN A 75 2.903 4.287 0.450 1.00 63.11 H new ATOM 0 HG2 GLN A 75 3.600 6.475 1.313 1.00 1.30 H new ATOM 0 HG3 GLN A 75 2.159 6.578 2.305 1.00 1.30 H new ATOM 0 HE21 GLN A 75 5.037 6.614 3.064 1.00 31.25 H new ATOM 0 HE22 GLN A 75 5.242 5.293 4.220 1.00 31.25 H new ATOM 1059 N SER A 76 -0.034 3.715 -0.771 1.00 33.01 N ATOM 1060 CA SER A 76 -0.582 2.697 -1.659 1.00 64.33 C ATOM 1061 C SER A 76 -1.288 3.346 -2.853 1.00 64.33 C ATOM 1062 O SER A 76 -0.988 3.039 -4.012 1.00 12.34 O ATOM 1063 CB SER A 76 -1.557 1.798 -0.887 1.00 40.13 C ATOM 1064 OG SER A 76 -0.920 1.208 0.231 1.00 4.54 O ATOM 0 H SER A 76 -0.404 3.686 0.179 1.00 33.01 H new ATOM 0 HA SER A 76 0.238 2.087 -2.037 1.00 64.33 H new ATOM 0 HB2 SER A 76 -2.414 2.384 -0.555 1.00 40.13 H new ATOM 0 HB3 SER A 76 -1.940 1.019 -1.546 1.00 40.13 H new ATOM 0 HG SER A 76 -0.829 1.874 0.945 1.00 4.54 H new ATOM 1070 N ARG A 77 -2.201 4.271 -2.556 1.00 62.34 N ATOM 1071 CA ARG A 77 -2.988 4.958 -3.585 1.00 2.02 C ATOM 1072 C ARG A 77 -2.078 5.605 -4.630 1.00 71.02 C ATOM 1073 O ARG A 77 -2.214 5.328 -5.828 1.00 44.52 O ATOM 1074 CB ARG A 77 -3.895 6.014 -2.912 1.00 34.01 C ATOM 1075 CG ARG A 77 -4.880 6.746 -3.841 1.00 60.34 C ATOM 1076 CD ARG A 77 -4.229 7.874 -4.645 1.00 53.33 C ATOM 1077 NE ARG A 77 -3.544 8.848 -3.790 1.00 61.31 N ATOM 1078 CZ ARG A 77 -2.751 9.825 -4.249 1.00 21.33 C ATOM 1079 NH1 ARG A 77 -2.581 10.008 -5.554 1.00 22.22 N ATOM 1080 NH2 ARG A 77 -2.136 10.634 -3.399 1.00 41.34 N ATOM 0 H ARG A 77 -2.416 4.565 -1.603 1.00 62.34 H new ATOM 0 HA ARG A 77 -3.611 4.229 -4.104 1.00 2.02 H new ATOM 0 HB2 ARG A 77 -4.466 5.524 -2.123 1.00 34.01 H new ATOM 0 HB3 ARG A 77 -3.259 6.757 -2.431 1.00 34.01 H new ATOM 0 HG2 ARG A 77 -5.322 6.026 -4.530 1.00 60.34 H new ATOM 0 HG3 ARG A 77 -5.694 7.157 -3.244 1.00 60.34 H new ATOM 0 HD2 ARG A 77 -3.515 7.448 -5.350 1.00 53.33 H new ATOM 0 HD3 ARG A 77 -4.992 8.384 -5.233 1.00 53.33 H new ATOM 0 HE ARG A 77 -3.680 8.777 -2.782 1.00 61.31 H new ATOM 0 HH11 ARG A 77 -3.057 9.400 -6.221 1.00 22.22 H new ATOM 0 HH12 ARG A 77 -1.974 10.756 -5.889 1.00 22.22 H new ATOM 0 HH21 ARG A 77 -2.266 10.513 -2.395 1.00 41.34 H new ATOM 0 HH22 ARG A 77 -1.532 11.378 -3.749 1.00 41.34 H new ATOM 1094 N SER A 78 -1.123 6.412 -4.162 1.00 10.32 N ATOM 1095 CA SER A 78 -0.307 7.243 -5.042 1.00 43.11 C ATOM 1096 C SER A 78 0.335 6.421 -6.149 1.00 61.43 C ATOM 1097 O SER A 78 0.183 6.740 -7.327 1.00 63.33 O ATOM 1098 CB SER A 78 0.786 7.965 -4.239 1.00 32.32 C ATOM 1099 OG SER A 78 0.230 8.880 -3.307 1.00 32.23 O ATOM 0 H SER A 78 -0.897 6.506 -3.172 1.00 10.32 H new ATOM 0 HA SER A 78 -0.968 7.979 -5.500 1.00 43.11 H new ATOM 0 HB2 SER A 78 1.395 7.231 -3.711 1.00 32.32 H new ATOM 0 HB3 SER A 78 1.449 8.497 -4.922 1.00 32.32 H new ATOM 0 HG SER A 78 -0.010 8.404 -2.485 1.00 32.23 H new ATOM 1105 N ALA A 79 1.036 5.356 -5.782 1.00 13.05 N ATOM 1106 CA ALA A 79 1.712 4.545 -6.780 1.00 44.25 C ATOM 1107 C ALA A 79 0.714 3.682 -7.552 1.00 23.33 C ATOM 1108 O ALA A 79 0.594 3.809 -8.774 1.00 23.25 O ATOM 1109 CB ALA A 79 2.779 3.682 -6.114 1.00 64.20 C ATOM 0 H ALA A 79 1.149 5.040 -4.819 1.00 13.05 H new ATOM 0 HA ALA A 79 2.197 5.208 -7.497 1.00 44.25 H new ATOM 0 HB1 ALA A 79 3.281 3.077 -6.869 1.00 64.20 H new ATOM 0 HB2 ALA A 79 3.508 4.323 -5.619 1.00 64.20 H new ATOM 0 HB3 ALA A 79 2.311 3.028 -5.378 1.00 64.20 H new ATOM 1115 N LEU A 80 -0.114 2.927 -6.820 1.00 72.52 N ATOM 1116 CA LEU A 80 -0.947 1.887 -7.434 1.00 31.20 C ATOM 1117 C LEU A 80 -1.837 2.461 -8.530 1.00 13.44 C ATOM 1118 O LEU A 80 -2.015 1.847 -9.587 1.00 72.21 O ATOM 1119 CB LEU A 80 -1.798 1.165 -6.380 1.00 11.04 C ATOM 1120 CG LEU A 80 -1.008 0.298 -5.379 1.00 10.33 C ATOM 1121 CD1 LEU A 80 -1.943 -0.348 -4.359 1.00 4.55 C ATOM 1122 CD2 LEU A 80 -0.195 -0.768 -6.111 1.00 25.42 C ATOM 0 H LEU A 80 -0.225 3.016 -5.810 1.00 72.52 H new ATOM 0 HA LEU A 80 -0.274 1.161 -7.890 1.00 31.20 H new ATOM 0 HB2 LEU A 80 -2.365 1.910 -5.822 1.00 11.04 H new ATOM 0 HB3 LEU A 80 -2.522 0.531 -6.893 1.00 11.04 H new ATOM 0 HG LEU A 80 -0.318 0.949 -4.842 1.00 10.33 H new ATOM 0 HD11 LEU A 80 -1.361 -0.954 -3.665 1.00 4.55 H new ATOM 0 HD12 LEU A 80 -2.472 0.429 -3.807 1.00 4.55 H new ATOM 0 HD13 LEU A 80 -2.664 -0.981 -4.876 1.00 4.55 H new ATOM 0 HD21 LEU A 80 0.355 -1.368 -5.386 1.00 25.42 H new ATOM 0 HD22 LEU A 80 -0.867 -1.411 -6.680 1.00 25.42 H new ATOM 0 HD23 LEU A 80 0.508 -0.286 -6.791 1.00 25.42 H new ATOM 1134 N VAL A 81 -2.385 3.644 -8.283 1.00 53.44 N ATOM 1135 CA VAL A 81 -3.213 4.310 -9.278 1.00 74.40 C ATOM 1136 C VAL A 81 -2.350 5.186 -10.180 1.00 40.02 C ATOM 1137 O VAL A 81 -2.674 5.398 -11.350 1.00 52.25 O ATOM 1138 CB VAL A 81 -4.334 5.163 -8.630 1.00 4.41 C ATOM 1139 CG1 VAL A 81 -3.795 6.476 -8.071 1.00 12.25 C ATOM 1140 CG2 VAL A 81 -5.472 5.418 -9.617 1.00 34.45 C ATOM 0 H VAL A 81 -2.272 4.158 -7.409 1.00 53.44 H new ATOM 0 HA VAL A 81 -3.693 3.533 -9.872 1.00 74.40 H new ATOM 0 HB VAL A 81 -4.732 4.590 -7.793 1.00 4.41 H new ATOM 0 HG11 VAL A 81 -4.612 7.044 -7.626 1.00 12.25 H new ATOM 0 HG12 VAL A 81 -3.042 6.266 -7.311 1.00 12.25 H new ATOM 0 HG13 VAL A 81 -3.345 7.057 -8.876 1.00 12.25 H new ATOM 0 HG21 VAL A 81 -6.244 6.018 -9.135 1.00 34.45 H new ATOM 0 HG22 VAL A 81 -5.087 5.951 -10.486 1.00 34.45 H new ATOM 0 HG23 VAL A 81 -5.898 4.466 -9.935 1.00 34.45 H new ATOM 1150 N GLY A 82 -1.221 5.656 -9.642 1.00 41.21 N ATOM 1151 CA GLY A 82 -0.460 6.699 -10.310 1.00 15.22 C ATOM 1152 C GLY A 82 0.296 6.162 -11.497 1.00 71.02 C ATOM 1153 O GLY A 82 0.609 6.894 -12.438 1.00 71.54 O ATOM 0 H GLY A 82 -0.824 5.333 -8.760 1.00 41.21 H new ATOM 0 HA2 GLY A 82 -1.135 7.490 -10.636 1.00 15.22 H new ATOM 0 HA3 GLY A 82 0.240 7.147 -9.605 1.00 15.22 H new ATOM 1157 N SER A 83 0.580 4.872 -11.449 1.00 1.23 N ATOM 1158 CA SER A 83 1.290 4.198 -12.526 1.00 41.03 C ATOM 1159 C SER A 83 0.297 3.718 -13.586 1.00 61.01 C ATOM 1160 O SER A 83 0.680 3.338 -14.696 1.00 51.42 O ATOM 1161 CB SER A 83 2.076 3.011 -11.958 1.00 55.34 C ATOM 1162 OG SER A 83 3.007 2.505 -12.898 1.00 33.31 O ATOM 0 H SER A 83 0.328 4.265 -10.669 1.00 1.23 H new ATOM 0 HA SER A 83 1.986 4.895 -12.992 1.00 41.03 H new ATOM 0 HB2 SER A 83 2.602 3.321 -11.055 1.00 55.34 H new ATOM 0 HB3 SER A 83 1.384 2.220 -11.669 1.00 55.34 H new ATOM 0 HG SER A 83 2.644 2.603 -13.803 1.00 33.31 H new ATOM 1168 N GLY A 84 -0.986 3.768 -13.236 1.00 30.55 N ATOM 1169 CA GLY A 84 -2.024 3.263 -14.111 1.00 11.32 C ATOM 1170 C GLY A 84 -2.157 1.759 -14.024 1.00 11.33 C ATOM 1171 O GLY A 84 -2.650 1.117 -14.951 1.00 34.02 O ATOM 0 H GLY A 84 -1.324 4.153 -12.354 1.00 30.55 H new ATOM 0 HA2 GLY A 84 -2.975 3.727 -13.850 1.00 11.32 H new ATOM 0 HA3 GLY A 84 -1.802 3.548 -15.139 1.00 11.32 H new ATOM 1175 N LEU A 85 -1.707 1.191 -12.905 1.00 72.33 N ATOM 1176 CA LEU A 85 -1.768 -0.250 -12.695 1.00 64.51 C ATOM 1177 C LEU A 85 -3.200 -0.684 -12.394 1.00 52.21 C ATOM 1178 O LEU A 85 -3.747 -1.570 -13.053 1.00 25.12 O ATOM 1179 CB LEU A 85 -0.833 -0.662 -11.546 1.00 44.43 C ATOM 1180 CG LEU A 85 0.648 -0.291 -11.735 1.00 70.10 C ATOM 1181 CD1 LEU A 85 1.483 -0.754 -10.541 1.00 15.12 C ATOM 1182 CD2 LEU A 85 1.192 -0.878 -13.036 1.00 54.11 C ATOM 0 H LEU A 85 -1.296 1.711 -12.130 1.00 72.33 H new ATOM 0 HA LEU A 85 -1.439 -0.747 -13.607 1.00 64.51 H new ATOM 0 HB2 LEU A 85 -1.191 -0.201 -10.626 1.00 44.43 H new ATOM 0 HB3 LEU A 85 -0.905 -1.741 -11.411 1.00 44.43 H new ATOM 0 HG LEU A 85 0.719 0.795 -11.796 1.00 70.10 H new ATOM 0 HD11 LEU A 85 2.526 -0.480 -10.698 1.00 15.12 H new ATOM 0 HD12 LEU A 85 1.115 -0.276 -9.633 1.00 15.12 H new ATOM 0 HD13 LEU A 85 1.403 -1.836 -10.439 1.00 15.12 H new ATOM 0 HD21 LEU A 85 2.241 -0.603 -13.149 1.00 54.11 H new ATOM 0 HD22 LEU A 85 1.102 -1.964 -13.011 1.00 54.11 H new ATOM 0 HD23 LEU A 85 0.622 -0.487 -13.878 1.00 54.11 H new ATOM 1194 N VAL A 86 -3.806 -0.044 -11.396 1.00 64.14 N ATOM 1195 CA VAL A 86 -5.175 -0.356 -10.995 1.00 4.43 C ATOM 1196 C VAL A 86 -6.041 0.898 -11.022 1.00 50.31 C ATOM 1197 O VAL A 86 -5.529 2.018 -11.107 1.00 60.05 O ATOM 1198 CB VAL A 86 -5.230 -0.990 -9.581 1.00 51.51 C ATOM 1199 CG1 VAL A 86 -4.433 -2.291 -9.544 1.00 21.43 C ATOM 1200 CG2 VAL A 86 -4.722 -0.012 -8.522 1.00 10.12 C ATOM 0 H VAL A 86 -3.368 0.697 -10.849 1.00 64.14 H new ATOM 0 HA VAL A 86 -5.561 -1.081 -11.711 1.00 4.43 H new ATOM 0 HB VAL A 86 -6.271 -1.220 -9.353 1.00 51.51 H new ATOM 0 HG11 VAL A 86 -4.484 -2.720 -8.543 1.00 21.43 H new ATOM 0 HG12 VAL A 86 -4.852 -2.995 -10.263 1.00 21.43 H new ATOM 0 HG13 VAL A 86 -3.393 -2.088 -9.799 1.00 21.43 H new ATOM 0 HG21 VAL A 86 -4.771 -0.482 -7.540 1.00 10.12 H new ATOM 0 HG22 VAL A 86 -3.690 0.260 -8.743 1.00 10.12 H new ATOM 0 HG23 VAL A 86 -5.342 0.884 -8.527 1.00 10.12 H new ATOM 1210 N ASP A 87 -7.351 0.699 -10.962 1.00 11.12 N ATOM 1211 CA ASP A 87 -8.304 1.804 -10.949 1.00 32.41 C ATOM 1212 C ASP A 87 -8.536 2.267 -9.519 1.00 51.31 C ATOM 1213 O ASP A 87 -8.466 3.460 -9.218 1.00 40.02 O ATOM 1214 CB ASP A 87 -9.635 1.374 -11.585 1.00 41.23 C ATOM 1215 CG ASP A 87 -9.477 0.951 -13.037 1.00 25.52 C ATOM 1216 OD1 ASP A 87 -9.757 1.767 -13.940 1.00 40.03 O ATOM 1217 OD2 ASP A 87 -9.062 -0.201 -13.286 1.00 34.24 O ATOM 0 H ASP A 87 -7.782 -0.225 -10.921 1.00 11.12 H new ATOM 0 HA ASP A 87 -7.892 2.628 -11.531 1.00 32.41 H new ATOM 0 HB2 ASP A 87 -10.057 0.548 -11.013 1.00 41.23 H new ATOM 0 HB3 ASP A 87 -10.346 2.198 -11.525 1.00 41.23 H new ATOM 1222 N ASP A 88 -8.781 1.304 -8.635 1.00 31.12 N ATOM 1223 CA ASP A 88 -9.068 1.587 -7.229 1.00 40.23 C ATOM 1224 C ASP A 88 -8.286 0.646 -6.321 1.00 12.43 C ATOM 1225 O ASP A 88 -7.681 -0.331 -6.780 1.00 53.21 O ATOM 1226 CB ASP A 88 -10.577 1.458 -6.943 1.00 25.23 C ATOM 1227 CG ASP A 88 -11.386 2.639 -7.460 1.00 14.43 C ATOM 1228 OD1 ASP A 88 -11.613 3.595 -6.683 1.00 24.44 O ATOM 1229 OD2 ASP A 88 -11.803 2.619 -8.639 1.00 51.23 O ATOM 0 H ASP A 88 -8.787 0.311 -8.869 1.00 31.12 H new ATOM 0 HA ASP A 88 -8.759 2.612 -7.023 1.00 40.23 H new ATOM 0 HB2 ASP A 88 -10.950 0.542 -7.400 1.00 25.23 H new ATOM 0 HB3 ASP A 88 -10.730 1.363 -5.868 1.00 25.23 H new ATOM 1234 N ILE A 89 -8.300 0.943 -5.028 1.00 21.14 N ATOM 1235 CA ILE A 89 -7.605 0.135 -4.034 1.00 24.45 C ATOM 1236 C ILE A 89 -8.500 -0.102 -2.823 1.00 60.40 C ATOM 1237 O ILE A 89 -9.618 0.416 -2.749 1.00 40.15 O ATOM 1238 CB ILE A 89 -6.291 0.807 -3.547 1.00 54.01 C ATOM 1239 CG1 ILE A 89 -6.595 2.128 -2.820 1.00 62.21 C ATOM 1240 CG2 ILE A 89 -5.324 1.041 -4.709 1.00 13.33 C ATOM 1241 CD1 ILE A 89 -5.391 2.730 -2.127 1.00 71.20 C ATOM 0 H ILE A 89 -8.792 1.748 -4.640 1.00 21.14 H new ATOM 0 HA ILE A 89 -7.357 -0.810 -4.518 1.00 24.45 H new ATOM 0 HB ILE A 89 -5.809 0.128 -2.843 1.00 54.01 H new ATOM 0 HG12 ILE A 89 -6.987 2.847 -3.539 1.00 62.21 H new ATOM 0 HG13 ILE A 89 -7.379 1.955 -2.083 1.00 62.21 H new ATOM 0 HG21 ILE A 89 -4.415 1.512 -4.336 1.00 13.33 H new ATOM 0 HG22 ILE A 89 -5.074 0.087 -5.172 1.00 13.33 H new ATOM 0 HG23 ILE A 89 -5.793 1.691 -5.447 1.00 13.33 H new ATOM 0 HD11 ILE A 89 -5.681 3.659 -1.636 1.00 71.20 H new ATOM 0 HD12 ILE A 89 -5.011 2.030 -1.383 1.00 71.20 H new ATOM 0 HD13 ILE A 89 -4.613 2.935 -2.862 1.00 71.20 H new ATOM 1253 N ARG A 90 -7.999 -0.897 -1.889 1.00 41.33 N ATOM 1254 CA ARG A 90 -8.632 -1.088 -0.594 1.00 32.52 C ATOM 1255 C ARG A 90 -7.647 -1.734 0.372 1.00 52.14 C ATOM 1256 O ARG A 90 -7.153 -2.834 0.120 1.00 33.10 O ATOM 1257 CB ARG A 90 -9.891 -1.955 -0.706 1.00 23.21 C ATOM 1258 CG ARG A 90 -10.463 -2.365 0.648 1.00 74.11 C ATOM 1259 CD ARG A 90 -10.720 -1.165 1.548 1.00 12.14 C ATOM 1260 NE ARG A 90 -11.145 -1.568 2.887 1.00 12.45 N ATOM 1261 CZ ARG A 90 -11.391 -0.726 3.895 1.00 54.44 C ATOM 1262 NH1 ARG A 90 -11.242 0.589 3.739 1.00 25.30 N ATOM 1263 NH2 ARG A 90 -11.761 -1.210 5.072 1.00 33.03 N ATOM 0 H ARG A 90 -7.138 -1.430 -2.010 1.00 41.33 H new ATOM 0 HA ARG A 90 -8.929 -0.109 -0.218 1.00 32.52 H new ATOM 0 HB2 ARG A 90 -10.652 -1.409 -1.264 1.00 23.21 H new ATOM 0 HB3 ARG A 90 -9.657 -2.851 -1.280 1.00 23.21 H new ATOM 0 HG2 ARG A 90 -11.394 -2.911 0.497 1.00 74.11 H new ATOM 0 HG3 ARG A 90 -9.771 -3.047 1.142 1.00 74.11 H new ATOM 0 HD2 ARG A 90 -9.813 -0.565 1.620 1.00 12.14 H new ATOM 0 HD3 ARG A 90 -11.486 -0.532 1.099 1.00 12.14 H new ATOM 0 HE ARG A 90 -11.262 -2.565 3.065 1.00 12.45 H new ATOM 0 HH11 ARG A 90 -10.937 0.965 2.841 1.00 25.30 H new ATOM 0 HH12 ARG A 90 -11.433 1.220 4.517 1.00 25.30 H new ATOM 0 HH21 ARG A 90 -11.856 -2.217 5.202 1.00 33.03 H new ATOM 0 HH22 ARG A 90 -11.951 -0.575 5.848 1.00 33.03 H new ATOM 1277 N ILE A 91 -7.355 -1.041 1.467 1.00 51.53 N ATOM 1278 CA ILE A 91 -6.506 -1.589 2.517 1.00 73.32 C ATOM 1279 C ILE A 91 -7.368 -2.174 3.634 1.00 32.22 C ATOM 1280 O ILE A 91 -8.222 -1.488 4.192 1.00 43.43 O ATOM 1281 CB ILE A 91 -5.541 -0.519 3.097 1.00 51.43 C ATOM 1282 CG1 ILE A 91 -4.558 -0.040 2.011 1.00 71.42 C ATOM 1283 CG2 ILE A 91 -4.786 -1.068 4.312 1.00 31.21 C ATOM 1284 CD1 ILE A 91 -3.521 0.948 2.510 1.00 32.43 C ATOM 0 H ILE A 91 -7.695 -0.097 1.650 1.00 51.53 H new ATOM 0 HA ILE A 91 -5.898 -2.377 2.073 1.00 73.32 H new ATOM 0 HB ILE A 91 -6.132 0.335 3.428 1.00 51.43 H new ATOM 0 HG12 ILE A 91 -4.047 -0.906 1.591 1.00 71.42 H new ATOM 0 HG13 ILE A 91 -5.124 0.421 1.201 1.00 71.42 H new ATOM 0 HG21 ILE A 91 -4.116 -0.301 4.701 1.00 31.21 H new ATOM 0 HG22 ILE A 91 -5.499 -1.353 5.085 1.00 31.21 H new ATOM 0 HG23 ILE A 91 -4.205 -1.941 4.015 1.00 31.21 H new ATOM 0 HD11 ILE A 91 -2.868 1.237 1.687 1.00 32.43 H new ATOM 0 HD12 ILE A 91 -4.021 1.833 2.904 1.00 32.43 H new ATOM 0 HD13 ILE A 91 -2.928 0.486 3.299 1.00 32.43 H new ATOM 1296 N ASN A 92 -7.153 -3.449 3.922 1.00 33.14 N ATOM 1297 CA ASN A 92 -7.868 -4.145 4.990 1.00 25.04 C ATOM 1298 C ASN A 92 -7.050 -4.087 6.272 1.00 11.12 C ATOM 1299 O ASN A 92 -5.950 -4.637 6.330 1.00 14.11 O ATOM 1300 CB ASN A 92 -8.109 -5.608 4.595 1.00 33.44 C ATOM 1301 CG ASN A 92 -8.735 -6.443 5.706 1.00 63.24 C ATOM 1302 OD1 ASN A 92 -9.544 -5.961 6.493 1.00 21.13 O ATOM 1303 ND2 ASN A 92 -8.348 -7.706 5.782 1.00 60.43 N ATOM 0 H ASN A 92 -6.480 -4.032 3.425 1.00 33.14 H new ATOM 0 HA ASN A 92 -8.830 -3.659 5.151 1.00 25.04 H new ATOM 0 HB2 ASN A 92 -8.758 -5.637 3.720 1.00 33.44 H new ATOM 0 HB3 ASN A 92 -7.160 -6.058 4.304 1.00 33.44 H new ATOM 0 HD21 ASN A 92 -8.724 -8.312 6.511 1.00 60.43 H new ATOM 0 HD22 ASN A 92 -7.674 -8.074 5.111 1.00 60.43 H new ATOM 1310 N TRP A 93 -7.570 -3.408 7.286 1.00 64.01 N ATOM 1311 CA TRP A 93 -6.862 -3.281 8.550 1.00 33.10 C ATOM 1312 C TRP A 93 -7.140 -4.507 9.418 1.00 32.12 C ATOM 1313 O TRP A 93 -8.230 -4.661 9.970 1.00 32.43 O ATOM 1314 CB TRP A 93 -7.279 -1.991 9.268 1.00 15.03 C ATOM 1315 CG TRP A 93 -7.140 -0.767 8.407 1.00 24.12 C ATOM 1316 CD1 TRP A 93 -5.979 -0.143 8.038 1.00 1.25 C ATOM 1317 CD2 TRP A 93 -8.204 -0.023 7.803 1.00 3.21 C ATOM 1318 NE1 TRP A 93 -6.264 0.941 7.241 1.00 63.22 N ATOM 1319 CE2 TRP A 93 -7.620 1.035 7.087 1.00 62.01 C ATOM 1320 CE3 TRP A 93 -9.596 -0.149 7.801 1.00 1.11 C ATOM 1321 CZ2 TRP A 93 -8.378 1.962 6.374 1.00 21.34 C ATOM 1322 CZ3 TRP A 93 -10.347 0.771 7.094 1.00 32.23 C ATOM 1323 CH2 TRP A 93 -9.737 1.816 6.390 1.00 24.31 C ATOM 0 H TRP A 93 -8.475 -2.939 7.257 1.00 64.01 H new ATOM 0 HA TRP A 93 -5.790 -3.225 8.360 1.00 33.10 H new ATOM 0 HB2 TRP A 93 -8.315 -2.083 9.595 1.00 15.03 H new ATOM 0 HB3 TRP A 93 -6.671 -1.868 10.165 1.00 15.03 H new ATOM 0 HD1 TRP A 93 -4.987 -0.455 8.329 1.00 1.25 H new ATOM 0 HE1 TRP A 93 -5.576 1.573 6.831 1.00 63.22 H new ATOM 0 HE3 TRP A 93 -10.076 -0.951 8.342 1.00 1.11 H new ATOM 0 HZ2 TRP A 93 -7.908 2.767 5.828 1.00 21.34 H new ATOM 0 HZ3 TRP A 93 -11.423 0.682 7.084 1.00 32.23 H new ATOM 0 HH2 TRP A 93 -10.352 2.520 5.849 1.00 24.31 H new ATOM 1334 N VAL A 94 -6.142 -5.373 9.530 1.00 31.05 N ATOM 1335 CA VAL A 94 -6.285 -6.636 10.239 1.00 72.33 C ATOM 1336 C VAL A 94 -5.832 -6.489 11.686 1.00 71.31 C ATOM 1337 O VAL A 94 -4.704 -6.067 11.952 1.00 75.52 O ATOM 1338 CB VAL A 94 -5.456 -7.754 9.553 1.00 65.34 C ATOM 1339 CG1 VAL A 94 -5.727 -9.116 10.201 1.00 52.03 C ATOM 1340 CG2 VAL A 94 -5.744 -7.786 8.052 1.00 42.03 C ATOM 0 H VAL A 94 -5.215 -5.220 9.134 1.00 31.05 H new ATOM 0 HA VAL A 94 -7.339 -6.912 10.216 1.00 72.33 H new ATOM 0 HB VAL A 94 -4.398 -7.531 9.691 1.00 65.34 H new ATOM 0 HG11 VAL A 94 -5.133 -9.881 9.701 1.00 52.03 H new ATOM 0 HG12 VAL A 94 -5.455 -9.078 11.256 1.00 52.03 H new ATOM 0 HG13 VAL A 94 -6.785 -9.359 10.108 1.00 52.03 H new ATOM 0 HG21 VAL A 94 -5.155 -8.575 7.585 1.00 42.03 H new ATOM 0 HG22 VAL A 94 -6.804 -7.980 7.889 1.00 42.03 H new ATOM 0 HG23 VAL A 94 -5.479 -6.826 7.610 1.00 42.03 H new ATOM 1350 N TRP A 95 -6.719 -6.825 12.615 1.00 51.15 N ATOM 1351 CA TRP A 95 -6.406 -6.789 14.040 1.00 0.14 C ATOM 1352 C TRP A 95 -6.403 -8.199 14.631 1.00 23.15 C ATOM 1353 O TRP A 95 -5.800 -8.442 15.678 1.00 62.23 O ATOM 1354 CB TRP A 95 -7.423 -5.905 14.777 1.00 44.42 C ATOM 1355 CG TRP A 95 -7.543 -4.534 14.179 1.00 12.52 C ATOM 1356 CD1 TRP A 95 -6.545 -3.614 14.043 1.00 64.01 C ATOM 1357 CD2 TRP A 95 -8.722 -3.933 13.633 1.00 25.31 C ATOM 1358 NE1 TRP A 95 -7.033 -2.477 13.447 1.00 13.33 N ATOM 1359 CE2 TRP A 95 -8.366 -2.648 13.189 1.00 55.24 C ATOM 1360 CE3 TRP A 95 -10.047 -4.357 13.479 1.00 52.15 C ATOM 1361 CZ2 TRP A 95 -9.284 -1.782 12.598 1.00 62.34 C ATOM 1362 CZ3 TRP A 95 -10.958 -3.497 12.892 1.00 74.03 C ATOM 1363 CH2 TRP A 95 -10.573 -2.222 12.458 1.00 70.21 C ATOM 0 H TRP A 95 -7.670 -7.128 12.405 1.00 51.15 H new ATOM 0 HA TRP A 95 -5.409 -6.366 14.165 1.00 0.14 H new ATOM 0 HB2 TRP A 95 -8.399 -6.390 14.760 1.00 44.42 H new ATOM 0 HB3 TRP A 95 -7.129 -5.816 15.823 1.00 44.42 H new ATOM 0 HD1 TRP A 95 -5.522 -3.758 14.358 1.00 64.01 H new ATOM 0 HE1 TRP A 95 -6.490 -1.641 13.232 1.00 13.33 H new ATOM 0 HE3 TRP A 95 -10.353 -5.338 13.812 1.00 52.15 H new ATOM 0 HZ2 TRP A 95 -8.989 -0.799 12.262 1.00 62.34 H new ATOM 0 HZ3 TRP A 95 -11.983 -3.814 12.766 1.00 74.03 H new ATOM 0 HH2 TRP A 95 -11.307 -1.573 12.004 1.00 70.21 H new ATOM 1374 N ASN A 96 -7.070 -9.126 13.939 1.00 34.35 N ATOM 1375 CA ASN A 96 -7.206 -10.508 14.413 1.00 65.40 C ATOM 1376 C ASN A 96 -7.955 -11.372 13.389 1.00 34.32 C ATOM 1377 O ASN A 96 -7.414 -12.377 12.923 1.00 64.34 O ATOM 1378 CB ASN A 96 -7.920 -10.557 15.784 1.00 42.25 C ATOM 1379 CG ASN A 96 -8.043 -11.964 16.371 1.00 1.41 C ATOM 1380 OD1 ASN A 96 -8.159 -12.956 15.652 1.00 34.20 O ATOM 1381 ND2 ASN A 96 -8.025 -12.056 17.692 1.00 34.35 N ATOM 0 H ASN A 96 -7.526 -8.945 13.045 1.00 34.35 H new ATOM 0 HA ASN A 96 -6.202 -10.915 14.534 1.00 65.40 H new ATOM 0 HB2 ASN A 96 -7.376 -9.927 16.488 1.00 42.25 H new ATOM 0 HB3 ASN A 96 -8.917 -10.130 15.678 1.00 42.25 H new ATOM 0 HD21 ASN A 96 -8.109 -12.968 18.141 1.00 34.35 H new ATOM 0 HD22 ASN A 96 -7.927 -11.215 18.261 1.00 34.35 H new ATOM 1388 N PRO A 97 -9.201 -10.997 13.001 1.00 13.23 N ATOM 1389 CA PRO A 97 -10.046 -11.850 12.143 1.00 51.04 C ATOM 1390 C PRO A 97 -9.448 -12.062 10.747 1.00 51.40 C ATOM 1391 O PRO A 97 -8.713 -11.207 10.245 1.00 61.44 O ATOM 1392 CB PRO A 97 -11.374 -11.076 12.057 1.00 12.41 C ATOM 1393 CG PRO A 97 -11.002 -9.660 12.333 1.00 41.32 C ATOM 1394 CD PRO A 97 -9.881 -9.724 13.334 1.00 30.10 C ATOM 0 HA PRO A 97 -10.153 -12.854 12.553 1.00 51.04 H new ATOM 0 HB2 PRO A 97 -11.831 -11.181 11.073 1.00 12.41 H new ATOM 0 HB3 PRO A 97 -12.096 -11.445 12.785 1.00 12.41 H new ATOM 0 HG2 PRO A 97 -10.685 -9.153 11.422 1.00 41.32 H new ATOM 0 HG3 PRO A 97 -11.850 -9.102 12.730 1.00 41.32 H new ATOM 0 HD2 PRO A 97 -9.208 -8.872 13.240 1.00 30.10 H new ATOM 0 HD3 PRO A 97 -10.255 -9.723 14.358 1.00 30.10 H new ATOM 1402 N PRO A 98 -9.753 -13.212 10.108 1.00 23.51 N ATOM 1403 CA PRO A 98 -9.284 -13.511 8.749 1.00 13.12 C ATOM 1404 C PRO A 98 -9.849 -12.521 7.728 1.00 4.30 C ATOM 1405 O PRO A 98 -10.891 -11.899 7.959 1.00 75.14 O ATOM 1406 CB PRO A 98 -9.803 -14.935 8.485 1.00 41.32 C ATOM 1407 CG PRO A 98 -10.935 -15.115 9.442 1.00 74.22 C ATOM 1408 CD PRO A 98 -10.575 -14.309 10.659 1.00 1.51 C ATOM 0 HA PRO A 98 -8.201 -13.432 8.657 1.00 13.12 H new ATOM 0 HB2 PRO A 98 -10.136 -15.049 7.453 1.00 41.32 H new ATOM 0 HB3 PRO A 98 -9.023 -15.677 8.652 1.00 41.32 H new ATOM 0 HG2 PRO A 98 -11.873 -14.769 9.008 1.00 74.22 H new ATOM 0 HG3 PRO A 98 -11.069 -16.167 9.695 1.00 74.22 H new ATOM 0 HD2 PRO A 98 -11.462 -13.931 11.168 1.00 1.51 H new ATOM 0 HD3 PRO A 98 -10.019 -14.903 11.385 1.00 1.51 H new ATOM 1416 N TRP A 99 -9.162 -12.390 6.604 1.00 65.21 N ATOM 1417 CA TRP A 99 -9.521 -11.415 5.579 1.00 71.40 C ATOM 1418 C TRP A 99 -10.887 -11.746 4.972 1.00 33.13 C ATOM 1419 O TRP A 99 -11.142 -12.890 4.588 1.00 13.22 O ATOM 1420 CB TRP A 99 -8.441 -11.392 4.493 1.00 11.43 C ATOM 1421 CG TRP A 99 -7.049 -11.277 5.051 1.00 74.04 C ATOM 1422 CD1 TRP A 99 -6.628 -10.437 6.041 1.00 45.05 C ATOM 1423 CD2 TRP A 99 -5.898 -12.026 4.647 1.00 42.53 C ATOM 1424 NE1 TRP A 99 -5.290 -10.623 6.281 1.00 3.12 N ATOM 1425 CE2 TRP A 99 -4.818 -11.591 5.437 1.00 65.00 C ATOM 1426 CE3 TRP A 99 -5.676 -13.022 3.694 1.00 20.41 C ATOM 1427 CZ2 TRP A 99 -3.536 -12.121 5.306 1.00 51.22 C ATOM 1428 CZ3 TRP A 99 -4.405 -13.546 3.561 1.00 55.35 C ATOM 1429 CH2 TRP A 99 -3.349 -13.097 4.364 1.00 2.31 C ATOM 0 H TRP A 99 -8.343 -12.953 6.374 1.00 65.21 H new ATOM 0 HA TRP A 99 -9.588 -10.428 6.037 1.00 71.40 H new ATOM 0 HB2 TRP A 99 -8.514 -12.302 3.897 1.00 11.43 H new ATOM 0 HB3 TRP A 99 -8.627 -10.555 3.821 1.00 11.43 H new ATOM 0 HD1 TRP A 99 -7.257 -9.729 6.560 1.00 45.05 H new ATOM 0 HE1 TRP A 99 -4.737 -10.121 6.976 1.00 3.12 H new ATOM 0 HE3 TRP A 99 -6.484 -13.377 3.072 1.00 20.41 H new ATOM 0 HZ2 TRP A 99 -2.721 -11.775 5.924 1.00 51.22 H new ATOM 0 HZ3 TRP A 99 -4.222 -14.315 2.825 1.00 55.35 H new ATOM 0 HH2 TRP A 99 -2.367 -13.529 4.238 1.00 2.31 H new ATOM 1440 N GLY A 100 -11.766 -10.745 4.893 1.00 73.55 N ATOM 1441 CA GLY A 100 -13.105 -10.971 4.371 1.00 41.41 C ATOM 1442 C GLY A 100 -13.787 -9.699 3.882 1.00 12.40 C ATOM 1443 O GLY A 100 -13.259 -9.011 3.009 1.00 34.42 O ATOM 0 H GLY A 100 -11.574 -9.785 5.180 1.00 73.55 H new ATOM 0 HA2 GLY A 100 -13.051 -11.684 3.549 1.00 41.41 H new ATOM 0 HA3 GLY A 100 -13.718 -11.427 5.149 1.00 41.41 H new ATOM 1447 N PRO A 101 -14.957 -9.345 4.458 1.00 3.25 N ATOM 1448 CA PRO A 101 -15.812 -8.250 3.952 1.00 75.25 C ATOM 1449 C PRO A 101 -15.138 -6.874 3.995 1.00 21.31 C ATOM 1450 O PRO A 101 -15.318 -6.056 3.086 1.00 75.05 O ATOM 1451 CB PRO A 101 -17.036 -8.286 4.887 1.00 10.11 C ATOM 1452 CG PRO A 101 -16.557 -8.973 6.122 1.00 25.14 C ATOM 1453 CD PRO A 101 -15.541 -9.982 5.658 1.00 42.22 C ATOM 0 HA PRO A 101 -16.053 -8.394 2.899 1.00 75.25 H new ATOM 0 HB2 PRO A 101 -17.394 -7.280 5.108 1.00 10.11 H new ATOM 0 HB3 PRO A 101 -17.866 -8.826 4.431 1.00 10.11 H new ATOM 0 HG2 PRO A 101 -16.113 -8.262 6.819 1.00 25.14 H new ATOM 0 HG3 PRO A 101 -17.381 -9.459 6.645 1.00 25.14 H new ATOM 0 HD2 PRO A 101 -14.786 -10.173 6.420 1.00 42.22 H new ATOM 0 HD3 PRO A 101 -16.004 -10.940 5.421 1.00 42.22 H new ATOM 1461 N ASP A 102 -14.338 -6.631 5.031 1.00 12.31 N ATOM 1462 CA ASP A 102 -13.723 -5.313 5.232 1.00 44.21 C ATOM 1463 C ASP A 102 -12.848 -4.921 4.038 1.00 40.52 C ATOM 1464 O ASP A 102 -12.488 -3.754 3.870 1.00 54.20 O ATOM 1465 CB ASP A 102 -12.890 -5.285 6.520 1.00 4.41 C ATOM 1466 CG ASP A 102 -12.427 -3.876 6.876 1.00 60.13 C ATOM 1467 OD1 ASP A 102 -11.323 -3.477 6.458 1.00 24.33 O ATOM 1468 OD2 ASP A 102 -13.183 -3.158 7.563 1.00 12.12 O ATOM 0 H ASP A 102 -14.099 -7.322 5.742 1.00 12.31 H new ATOM 0 HA ASP A 102 -14.532 -4.588 5.322 1.00 44.21 H new ATOM 0 HB2 ASP A 102 -13.481 -5.690 7.342 1.00 4.41 H new ATOM 0 HB3 ASP A 102 -12.021 -5.932 6.403 1.00 4.41 H new ATOM 1473 N LYS A 103 -12.539 -5.898 3.188 1.00 23.13 N ATOM 1474 CA LYS A 103 -11.707 -5.664 2.013 1.00 62.00 C ATOM 1475 C LYS A 103 -12.507 -4.978 0.900 1.00 4.33 C ATOM 1476 O LYS A 103 -12.041 -4.868 -0.235 1.00 33.30 O ATOM 1477 CB LYS A 103 -11.105 -6.986 1.515 1.00 64.03 C ATOM 1478 CG LYS A 103 -10.364 -7.752 2.609 1.00 41.14 C ATOM 1479 CD LYS A 103 -9.530 -8.909 2.065 1.00 41.55 C ATOM 1480 CE LYS A 103 -8.412 -8.427 1.146 1.00 20.05 C ATOM 1481 NZ LYS A 103 -7.342 -9.448 0.989 1.00 44.24 N ATOM 0 H LYS A 103 -12.854 -6.862 3.293 1.00 23.13 H new ATOM 0 HA LYS A 103 -10.893 -4.997 2.298 1.00 62.00 H new ATOM 0 HB2 LYS A 103 -11.901 -7.614 1.115 1.00 64.03 H new ATOM 0 HB3 LYS A 103 -10.418 -6.780 0.694 1.00 64.03 H new ATOM 0 HG2 LYS A 103 -9.713 -7.065 3.149 1.00 41.14 H new ATOM 0 HG3 LYS A 103 -11.087 -8.138 3.328 1.00 41.14 H new ATOM 0 HD2 LYS A 103 -9.100 -9.468 2.896 1.00 41.55 H new ATOM 0 HD3 LYS A 103 -10.176 -9.596 1.519 1.00 41.55 H new ATOM 0 HE2 LYS A 103 -8.826 -8.183 0.168 1.00 20.05 H new ATOM 0 HE3 LYS A 103 -7.982 -7.510 1.548 1.00 20.05 H new ATOM 0 HZ1 LYS A 103 -6.412 -8.995 1.094 1.00 44.24 H new ATOM 0 HZ2 LYS A 103 -7.454 -10.183 1.716 1.00 44.24 H new ATOM 0 HZ3 LYS A 103 -7.411 -9.881 0.046 1.00 44.24 H new ATOM 1495 N ILE A 104 -13.716 -4.526 1.230 1.00 24.42 N ATOM 1496 CA ILE A 104 -14.494 -3.674 0.336 1.00 21.42 C ATOM 1497 C ILE A 104 -14.277 -2.197 0.697 1.00 11.42 C ATOM 1498 O ILE A 104 -14.483 -1.799 1.845 1.00 1.41 O ATOM 1499 CB ILE A 104 -16.008 -4.003 0.416 1.00 55.22 C ATOM 1500 CG1 ILE A 104 -16.260 -5.477 0.046 1.00 15.14 C ATOM 1501 CG2 ILE A 104 -16.815 -3.070 -0.491 1.00 21.33 C ATOM 1502 CD1 ILE A 104 -17.711 -5.904 0.168 1.00 64.44 C ATOM 0 H ILE A 104 -14.178 -4.738 2.114 1.00 24.42 H new ATOM 0 HA ILE A 104 -14.153 -3.862 -0.682 1.00 21.42 H new ATOM 0 HB ILE A 104 -16.339 -3.846 1.442 1.00 55.22 H new ATOM 0 HG12 ILE A 104 -15.927 -5.646 -0.978 1.00 15.14 H new ATOM 0 HG13 ILE A 104 -15.650 -6.112 0.689 1.00 15.14 H new ATOM 0 HG21 ILE A 104 -17.874 -3.319 -0.419 1.00 21.33 H new ATOM 0 HG22 ILE A 104 -16.663 -2.037 -0.178 1.00 21.33 H new ATOM 0 HG23 ILE A 104 -16.484 -3.189 -1.523 1.00 21.33 H new ATOM 0 HD11 ILE A 104 -17.806 -6.954 -0.110 1.00 64.44 H new ATOM 0 HD12 ILE A 104 -18.045 -5.769 1.197 1.00 64.44 H new ATOM 0 HD13 ILE A 104 -18.326 -5.296 -0.496 1.00 64.44 H new ATOM 1514 N THR A 105 -13.819 -1.405 -0.277 1.00 71.32 N ATOM 1515 CA THR A 105 -13.642 0.027 -0.119 1.00 54.32 C ATOM 1516 C THR A 105 -14.894 0.728 0.442 1.00 12.30 C ATOM 1517 O THR A 105 -16.012 0.205 0.370 1.00 41.34 O ATOM 1518 CB THR A 105 -13.262 0.643 -1.484 1.00 74.32 C ATOM 1519 OG1 THR A 105 -12.601 -0.348 -2.290 1.00 22.45 O ATOM 1520 CG2 THR A 105 -12.333 1.824 -1.301 1.00 61.34 C ATOM 0 H THR A 105 -13.561 -1.750 -1.202 1.00 71.32 H new ATOM 0 HA THR A 105 -12.845 0.181 0.608 1.00 54.32 H new ATOM 0 HB THR A 105 -14.175 0.982 -1.974 1.00 74.32 H new ATOM 0 HG1 THR A 105 -11.706 -0.030 -2.531 1.00 22.45 H new ATOM 0 HG21 THR A 105 -12.079 2.241 -2.275 1.00 61.34 H new ATOM 0 HG22 THR A 105 -12.827 2.585 -0.698 1.00 61.34 H new ATOM 0 HG23 THR A 105 -11.423 1.497 -0.798 1.00 61.34 H new ATOM 1528 N GLU A 106 -14.676 1.936 0.964 1.00 21.21 N ATOM 1529 CA GLU A 106 -15.697 2.713 1.673 1.00 71.45 C ATOM 1530 C GLU A 106 -16.998 2.840 0.874 1.00 32.00 C ATOM 1531 O GLU A 106 -18.092 2.750 1.433 1.00 31.53 O ATOM 1532 CB GLU A 106 -15.140 4.109 1.968 1.00 4.44 C ATOM 1533 CG GLU A 106 -13.873 4.098 2.819 1.00 63.33 C ATOM 1534 CD GLU A 106 -13.167 5.446 2.833 1.00 21.21 C ATOM 1535 OE1 GLU A 106 -13.782 6.443 3.261 1.00 52.53 O ATOM 1536 OE2 GLU A 106 -11.993 5.512 2.406 1.00 75.33 O ATOM 0 H GLU A 106 -13.774 2.409 0.906 1.00 21.21 H new ATOM 0 HA GLU A 106 -15.937 2.186 2.596 1.00 71.45 H new ATOM 0 HB2 GLU A 106 -14.929 4.613 1.025 1.00 4.44 H new ATOM 0 HB3 GLU A 106 -15.904 4.695 2.478 1.00 4.44 H new ATOM 0 HG2 GLU A 106 -14.128 3.815 3.840 1.00 63.33 H new ATOM 0 HG3 GLU A 106 -13.190 3.338 2.438 1.00 63.33 H new ATOM 1543 N ASP A 107 -16.869 3.030 -0.439 1.00 4.24 N ATOM 1544 CA ASP A 107 -18.028 3.249 -1.311 1.00 34.30 C ATOM 1545 C ASP A 107 -19.021 2.094 -1.195 1.00 35.33 C ATOM 1546 O ASP A 107 -20.230 2.310 -1.134 1.00 71.34 O ATOM 1547 CB ASP A 107 -17.583 3.410 -2.774 1.00 2.02 C ATOM 1548 CG ASP A 107 -16.634 4.583 -2.971 1.00 42.14 C ATOM 1549 OD1 ASP A 107 -15.421 4.418 -2.713 1.00 1.53 O ATOM 1550 OD2 ASP A 107 -17.092 5.672 -3.374 1.00 31.11 O ATOM 0 H ASP A 107 -15.972 3.037 -0.925 1.00 4.24 H new ATOM 0 HA ASP A 107 -18.520 4.167 -0.989 1.00 34.30 H new ATOM 0 HB2 ASP A 107 -17.095 2.493 -3.104 1.00 2.02 H new ATOM 0 HB3 ASP A 107 -18.462 3.548 -3.404 1.00 2.02 H new ATOM 1555 N GLY A 108 -18.496 0.874 -1.127 1.00 55.31 N ATOM 1556 CA GLY A 108 -19.336 -0.309 -1.041 1.00 42.30 C ATOM 1557 C GLY A 108 -20.042 -0.428 0.297 1.00 65.25 C ATOM 1558 O GLY A 108 -21.107 -1.038 0.397 1.00 63.25 O ATOM 0 H GLY A 108 -17.494 0.682 -1.130 1.00 55.31 H new ATOM 0 HA2 GLY A 108 -20.079 -0.281 -1.838 1.00 42.30 H new ATOM 0 HA3 GLY A 108 -18.725 -1.197 -1.205 1.00 42.30 H new ATOM 1562 N ARG A 109 -19.428 0.134 1.331 1.00 12.23 N ATOM 1563 CA ARG A 109 -19.967 0.053 2.684 1.00 34.23 C ATOM 1564 C ARG A 109 -21.186 0.956 2.858 1.00 62.52 C ATOM 1565 O ARG A 109 -22.234 0.515 3.335 1.00 31.32 O ATOM 1566 CB ARG A 109 -18.882 0.437 3.699 1.00 74.51 C ATOM 1567 CG ARG A 109 -17.746 -0.574 3.794 1.00 14.24 C ATOM 1568 CD ARG A 109 -18.246 -1.927 4.286 1.00 24.44 C ATOM 1569 NE ARG A 109 -18.851 -1.831 5.619 1.00 65.10 N ATOM 1570 CZ ARG A 109 -19.900 -2.551 6.024 1.00 21.30 C ATOM 1571 NH1 ARG A 109 -20.510 -3.384 5.188 1.00 15.04 N ATOM 1572 NH2 ARG A 109 -20.349 -2.422 7.264 1.00 53.12 N ATOM 0 H ARG A 109 -18.553 0.653 1.258 1.00 12.23 H new ATOM 0 HA ARG A 109 -20.286 -0.975 2.858 1.00 34.23 H new ATOM 0 HB2 ARG A 109 -18.470 1.409 3.427 1.00 74.51 H new ATOM 0 HB3 ARG A 109 -19.340 0.549 4.682 1.00 74.51 H new ATOM 0 HG2 ARG A 109 -17.278 -0.691 2.817 1.00 14.24 H new ATOM 0 HG3 ARG A 109 -16.979 -0.199 4.472 1.00 14.24 H new ATOM 0 HD2 ARG A 109 -18.978 -2.322 3.582 1.00 24.44 H new ATOM 0 HD3 ARG A 109 -17.416 -2.633 4.313 1.00 24.44 H new ATOM 0 HE ARG A 109 -18.443 -1.170 6.280 1.00 65.10 H new ATOM 0 HH11 ARG A 109 -20.178 -3.477 4.228 1.00 15.04 H new ATOM 0 HH12 ARG A 109 -21.311 -3.930 5.506 1.00 15.04 H new ATOM 0 HH21 ARG A 109 -19.893 -1.774 7.907 1.00 53.12 H new ATOM 0 HH22 ARG A 109 -21.150 -2.971 7.576 1.00 53.12 H new ATOM 1586 N GLU A 110 -21.045 2.220 2.475 1.00 11.34 N ATOM 1587 CA GLU A 110 -22.123 3.193 2.633 1.00 4.31 C ATOM 1588 C GLU A 110 -23.133 3.110 1.489 1.00 10.04 C ATOM 1589 O GLU A 110 -24.335 3.299 1.702 1.00 3.32 O ATOM 1590 CB GLU A 110 -21.555 4.618 2.744 1.00 24.41 C ATOM 1591 CG GLU A 110 -21.013 4.975 4.130 1.00 54.31 C ATOM 1592 CD GLU A 110 -19.882 4.069 4.598 1.00 43.15 C ATOM 1593 OE1 GLU A 110 -20.152 3.102 5.348 1.00 14.42 O ATOM 1594 OE2 GLU A 110 -18.716 4.327 4.229 1.00 62.30 O ATOM 0 H GLU A 110 -20.196 2.596 2.053 1.00 11.34 H new ATOM 0 HA GLU A 110 -22.649 2.950 3.557 1.00 4.31 H new ATOM 0 HB2 GLU A 110 -20.755 4.735 2.013 1.00 24.41 H new ATOM 0 HB3 GLU A 110 -22.337 5.330 2.478 1.00 24.41 H new ATOM 0 HG2 GLU A 110 -20.659 6.006 4.117 1.00 54.31 H new ATOM 0 HG3 GLU A 110 -21.828 4.927 4.852 1.00 54.31 H new ATOM 1601 N GLN A 111 -22.654 2.823 0.280 1.00 31.30 N ATOM 1602 CA GLN A 111 -23.514 2.815 -0.902 1.00 3.20 C ATOM 1603 C GLN A 111 -23.527 1.443 -1.571 1.00 52.21 C ATOM 1604 O GLN A 111 -22.607 1.085 -2.307 1.00 75.12 O ATOM 1605 CB GLN A 111 -23.058 3.893 -1.898 1.00 11.42 C ATOM 1606 CG GLN A 111 -22.952 5.284 -1.281 1.00 73.20 C ATOM 1607 CD GLN A 111 -22.646 6.364 -2.305 1.00 74.13 C ATOM 1608 OE1 GLN A 111 -21.487 6.664 -2.586 1.00 12.10 O ATOM 1609 NE2 GLN A 111 -23.686 6.963 -2.865 1.00 4.14 N ATOM 0 H GLN A 111 -21.678 2.594 0.093 1.00 31.30 H new ATOM 0 HA GLN A 111 -24.531 3.038 -0.580 1.00 3.20 H new ATOM 0 HB2 GLN A 111 -22.088 3.611 -2.308 1.00 11.42 H new ATOM 0 HB3 GLN A 111 -23.759 3.926 -2.732 1.00 11.42 H new ATOM 0 HG2 GLN A 111 -23.888 5.524 -0.776 1.00 73.20 H new ATOM 0 HG3 GLN A 111 -22.171 5.280 -0.520 1.00 73.20 H new ATOM 0 HE21 GLN A 111 -24.633 6.687 -2.607 1.00 4.14 H new ATOM 0 HE22 GLN A 111 -23.540 7.700 -3.555 1.00 4.14 H new ATOM 1618 N LEU A 112 -24.567 0.670 -1.288 1.00 14.21 N ATOM 1619 CA LEU A 112 -24.772 -0.623 -1.933 1.00 10.02 C ATOM 1620 C LEU A 112 -25.452 -0.422 -3.287 1.00 54.35 C ATOM 1621 O LEU A 112 -25.983 0.655 -3.563 1.00 54.04 O ATOM 1622 CB LEU A 112 -25.631 -1.543 -1.042 1.00 62.14 C ATOM 1623 CG LEU A 112 -24.965 -2.053 0.255 1.00 24.53 C ATOM 1624 CD1 LEU A 112 -23.675 -2.806 -0.058 1.00 40.34 C ATOM 1625 CD2 LEU A 112 -24.702 -0.909 1.237 1.00 54.43 C ATOM 0 H LEU A 112 -25.288 0.918 -0.610 1.00 14.21 H new ATOM 0 HA LEU A 112 -23.802 -1.097 -2.084 1.00 10.02 H new ATOM 0 HB2 LEU A 112 -26.540 -1.006 -0.772 1.00 62.14 H new ATOM 0 HB3 LEU A 112 -25.934 -2.407 -1.634 1.00 62.14 H new ATOM 0 HG LEU A 112 -25.659 -2.745 0.732 1.00 24.53 H new ATOM 0 HD11 LEU A 112 -23.223 -3.156 0.870 1.00 40.34 H new ATOM 0 HD12 LEU A 112 -23.898 -3.660 -0.697 1.00 40.34 H new ATOM 0 HD13 LEU A 112 -22.981 -2.141 -0.571 1.00 40.34 H new ATOM 0 HD21 LEU A 112 -24.233 -1.304 2.138 1.00 54.43 H new ATOM 0 HD22 LEU A 112 -24.040 -0.177 0.774 1.00 54.43 H new ATOM 0 HD23 LEU A 112 -25.646 -0.430 1.499 1.00 54.43 H new ATOM 1637 N ARG A 113 -25.451 -1.455 -4.123 1.00 73.01 N ATOM 1638 CA ARG A 113 -26.114 -1.384 -5.423 1.00 23.24 C ATOM 1639 C ARG A 113 -27.609 -1.139 -5.242 1.00 62.54 C ATOM 1640 O ARG A 113 -28.256 -0.529 -6.093 1.00 12.51 O ATOM 1641 CB ARG A 113 -25.881 -2.658 -6.239 1.00 63.15 C ATOM 1642 CG ARG A 113 -24.461 -2.797 -6.780 1.00 11.35 C ATOM 1643 CD ARG A 113 -24.368 -3.911 -7.815 1.00 51.11 C ATOM 1644 NE ARG A 113 -25.405 -3.775 -8.844 1.00 0.23 N ATOM 1645 CZ ARG A 113 -25.195 -3.335 -10.087 1.00 42.05 C ATOM 1646 NH1 ARG A 113 -23.967 -3.051 -10.510 1.00 45.13 N ATOM 1647 NH2 ARG A 113 -26.229 -3.190 -10.907 1.00 10.54 N ATOM 0 H ARG A 113 -25.001 -2.349 -3.926 1.00 73.01 H new ATOM 0 HA ARG A 113 -25.681 -0.549 -5.974 1.00 23.24 H new ATOM 0 HB2 ARG A 113 -26.108 -3.523 -5.616 1.00 63.15 H new ATOM 0 HB3 ARG A 113 -26.581 -2.675 -7.075 1.00 63.15 H new ATOM 0 HG2 ARG A 113 -24.147 -1.854 -7.228 1.00 11.35 H new ATOM 0 HG3 ARG A 113 -23.775 -3.003 -5.958 1.00 11.35 H new ATOM 0 HD2 ARG A 113 -23.384 -3.893 -8.284 1.00 51.11 H new ATOM 0 HD3 ARG A 113 -24.468 -4.878 -7.321 1.00 51.11 H new ATOM 0 HE ARG A 113 -26.358 -4.036 -8.591 1.00 0.23 H new ATOM 0 HH11 ARG A 113 -23.172 -3.169 -9.882 1.00 45.13 H new ATOM 0 HH12 ARG A 113 -23.820 -2.716 -11.462 1.00 45.13 H new ATOM 0 HH21 ARG A 113 -27.171 -3.414 -10.585 1.00 10.54 H new ATOM 0 HH22 ARG A 113 -26.082 -2.855 -11.859 1.00 10.54 H new ATOM 1661 N ALA A 114 -28.145 -1.628 -4.125 1.00 13.01 N ATOM 1662 CA ALA A 114 -29.541 -1.391 -3.757 1.00 11.24 C ATOM 1663 C ALA A 114 -29.849 0.111 -3.695 1.00 55.21 C ATOM 1664 O ALA A 114 -30.994 0.530 -3.875 1.00 71.34 O ATOM 1665 CB ALA A 114 -29.844 -2.062 -2.419 1.00 65.05 C ATOM 0 H ALA A 114 -27.629 -2.196 -3.453 1.00 13.01 H new ATOM 0 HA ALA A 114 -30.181 -1.826 -4.524 1.00 11.24 H new ATOM 0 HB1 ALA A 114 -30.885 -1.883 -2.149 1.00 65.05 H new ATOM 0 HB2 ALA A 114 -29.671 -3.135 -2.502 1.00 65.05 H new ATOM 0 HB3 ALA A 114 -29.193 -1.648 -1.649 1.00 65.05 H new ATOM 1671 N LEU A 115 -28.805 0.910 -3.476 1.00 4.22 N ATOM 1672 CA LEU A 115 -28.927 2.365 -3.394 1.00 21.12 C ATOM 1673 C LEU A 115 -28.853 2.975 -4.804 1.00 62.34 C ATOM 1674 O LEU A 115 -28.577 4.163 -4.967 1.00 11.13 O ATOM 1675 CB LEU A 115 -27.806 2.928 -2.490 1.00 5.52 C ATOM 1676 CG LEU A 115 -28.208 4.069 -1.529 1.00 31.12 C ATOM 1677 CD1 LEU A 115 -27.022 4.482 -0.658 1.00 11.43 C ATOM 1678 CD2 LEU A 115 -28.756 5.273 -2.294 1.00 71.33 C ATOM 0 H LEU A 115 -27.852 0.567 -3.351 1.00 4.22 H new ATOM 0 HA LEU A 115 -29.890 2.628 -2.957 1.00 21.12 H new ATOM 0 HB2 LEU A 115 -27.401 2.108 -1.897 1.00 5.52 H new ATOM 0 HB3 LEU A 115 -27.000 3.288 -3.129 1.00 5.52 H new ATOM 0 HG LEU A 115 -29.001 3.695 -0.882 1.00 31.12 H new ATOM 0 HD11 LEU A 115 -27.325 5.287 0.012 1.00 11.43 H new ATOM 0 HD12 LEU A 115 -26.687 3.627 -0.070 1.00 11.43 H new ATOM 0 HD13 LEU A 115 -26.207 4.827 -1.294 1.00 11.43 H new ATOM 0 HD21 LEU A 115 -29.030 6.058 -1.589 1.00 71.33 H new ATOM 0 HD22 LEU A 115 -27.994 5.648 -2.977 1.00 71.33 H new ATOM 0 HD23 LEU A 115 -29.636 4.973 -2.862 1.00 71.33 H new ATOM 1690 N GLY A 116 -29.081 2.142 -5.826 1.00 34.01 N ATOM 1691 CA GLY A 116 -29.156 2.634 -7.192 1.00 32.14 C ATOM 1692 C GLY A 116 -30.295 3.622 -7.359 1.00 62.34 C ATOM 1693 O GLY A 116 -31.406 3.244 -7.733 1.00 60.43 O ATOM 0 H GLY A 116 -29.215 1.136 -5.728 1.00 34.01 H new ATOM 0 HA2 GLY A 116 -28.214 3.112 -7.461 1.00 32.14 H new ATOM 0 HA3 GLY A 116 -29.295 1.796 -7.876 1.00 32.14 H new ATOM 1697 N PHE A 117 -30.015 4.881 -7.041 1.00 2.20 N ATOM 1698 CA PHE A 117 -31.022 5.935 -7.039 1.00 22.04 C ATOM 1699 C PHE A 117 -31.628 6.146 -8.424 1.00 10.11 C ATOM 1700 O PHE A 117 -30.954 5.985 -9.449 1.00 3.22 O ATOM 1701 CB PHE A 117 -30.409 7.250 -6.531 1.00 25.31 C ATOM 1702 CG PHE A 117 -29.290 7.787 -7.395 1.00 63.32 C ATOM 1703 CD1 PHE A 117 -27.988 7.335 -7.236 1.00 54.14 C ATOM 1704 CD2 PHE A 117 -29.545 8.743 -8.372 1.00 21.01 C ATOM 1705 CE1 PHE A 117 -26.963 7.828 -8.023 1.00 54.43 C ATOM 1706 CE2 PHE A 117 -28.524 9.237 -9.161 1.00 50.43 C ATOM 1707 CZ PHE A 117 -27.233 8.777 -8.990 1.00 52.42 C ATOM 0 H PHE A 117 -29.083 5.200 -6.777 1.00 2.20 H new ATOM 0 HA PHE A 117 -31.823 5.622 -6.370 1.00 22.04 H new ATOM 0 HB2 PHE A 117 -31.195 8.002 -6.465 1.00 25.31 H new ATOM 0 HB3 PHE A 117 -30.030 7.095 -5.521 1.00 25.31 H new ATOM 0 HD1 PHE A 117 -27.772 6.588 -6.487 1.00 54.14 H new ATOM 0 HD2 PHE A 117 -30.553 9.104 -8.516 1.00 21.01 H new ATOM 0 HE1 PHE A 117 -25.953 7.472 -7.882 1.00 54.43 H new ATOM 0 HE2 PHE A 117 -28.736 9.984 -9.912 1.00 50.43 H new ATOM 0 HZ PHE A 117 -26.436 9.158 -9.611 1.00 52.42 H new ATOM 1717 N THR A 118 -32.903 6.506 -8.440 1.00 14.41 N ATOM 1718 CA THR A 118 -33.590 6.855 -9.671 1.00 50.43 C ATOM 1719 C THR A 118 -33.349 8.328 -10.003 1.00 13.13 C ATOM 1720 O THR A 118 -33.527 9.204 -9.150 1.00 25.14 O ATOM 1721 CB THR A 118 -35.108 6.591 -9.551 1.00 4.24 C ATOM 1722 OG1 THR A 118 -35.337 5.207 -9.240 1.00 75.14 O ATOM 1723 CG2 THR A 118 -35.843 6.958 -10.839 1.00 53.51 C ATOM 0 H THR A 118 -33.486 6.564 -7.605 1.00 14.41 H new ATOM 0 HA THR A 118 -33.193 6.231 -10.471 1.00 50.43 H new ATOM 0 HB THR A 118 -35.497 7.219 -8.750 1.00 4.24 H new ATOM 0 HG1 THR A 118 -36.300 5.044 -9.163 1.00 75.14 H new ATOM 0 HG21 THR A 118 -36.908 6.760 -10.719 1.00 53.51 H new ATOM 0 HG22 THR A 118 -35.693 8.016 -11.055 1.00 53.51 H new ATOM 0 HG23 THR A 118 -35.453 6.361 -11.663 1.00 53.51 H new ATOM 1731 N VAL A 119 -32.931 8.595 -11.232 1.00 72.03 N ATOM 1732 CA VAL A 119 -32.697 9.958 -11.692 1.00 61.32 C ATOM 1733 C VAL A 119 -33.746 10.336 -12.742 1.00 51.32 C ATOM 1734 O VAL A 119 -34.466 11.335 -12.543 1.00 2.13 O ATOM 1735 CB VAL A 119 -31.259 10.133 -12.255 1.00 10.42 C ATOM 1736 CG1 VAL A 119 -30.962 9.122 -13.363 1.00 33.21 C ATOM 1737 CG2 VAL A 119 -31.040 11.564 -12.742 1.00 31.52 C ATOM 1738 OXT VAL A 119 -33.889 9.594 -13.738 1.00 0.00 O ATOM 0 H VAL A 119 -32.745 7.879 -11.935 1.00 72.03 H new ATOM 0 HA VAL A 119 -32.790 10.629 -10.838 1.00 61.32 H new ATOM 0 HB VAL A 119 -30.558 9.939 -11.443 1.00 10.42 H new ATOM 0 HG11 VAL A 119 -29.948 9.275 -13.732 1.00 33.21 H new ATOM 0 HG12 VAL A 119 -31.056 8.111 -12.967 1.00 33.21 H new ATOM 0 HG13 VAL A 119 -31.670 9.259 -14.180 1.00 33.21 H new ATOM 0 HG21 VAL A 119 -30.027 11.665 -13.132 1.00 31.52 H new ATOM 0 HG22 VAL A 119 -31.757 11.794 -13.530 1.00 31.52 H new ATOM 0 HG23 VAL A 119 -31.179 12.256 -11.912 1.00 31.52 H new TER 1748 VAL A 119