USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 10 ASN : amide:sc= -0.0147 X(o=-1.2,f=-1.1) USER MOD Set 1.2: A 38 MET CE :methyl -121:sc= -0.699 (180deg=-1.57) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -0.45 K(o=-1.2,f=-2.1) USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.479) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.599 (180deg=-0.208) USER MOD Single : A 5 THR OG1 : rot 103:sc= 0.52 USER MOD Single : A 9 THR OG1 : rot 122:sc= -1.13! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 130:sc= -0.0791 USER MOD Single : A 16 ASN : amide:sc= -0.0098 K(o=-0.0098,f=-1.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 169:sc= -0.0158 (180deg=-0.21) USER MOD Single : A 26 ASN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl -137:sc= -0.277 (180deg=-1.51) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= 0.384 (180deg=-0.331) USER MOD Single : A 45 THR OG1 : rot -50:sc= 0.79 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.424 (180deg=0.367) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 151:sc= -2.07 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=-0.069) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.073 -8.930 2.285 1.00 31.01 N ATOM 2 CA MET A 1 -11.703 -7.493 2.258 1.00 0.50 C ATOM 3 C MET A 1 -10.996 -7.097 3.553 1.00 63.14 C ATOM 4 O MET A 1 -11.031 -7.833 4.536 1.00 22.13 O ATOM 5 CB MET A 1 -12.946 -6.605 2.096 1.00 12.33 C ATOM 6 CG MET A 1 -13.645 -6.710 0.752 1.00 72.14 C ATOM 7 SD MET A 1 -15.072 -5.610 0.649 1.00 55.45 S ATOM 8 CE MET A 1 -15.708 -6.010 -0.976 1.00 53.22 C ATOM 0 H1 MET A 1 -11.459 -9.459 1.633 1.00 31.01 H new ATOM 0 H2 MET A 1 -11.955 -9.301 3.249 1.00 31.01 H new ATOM 0 H3 MET A 1 -13.065 -9.039 1.991 1.00 31.01 H new ATOM 0 HA MET A 1 -11.037 -7.347 1.408 1.00 0.50 H new ATOM 0 HB2 MET A 1 -13.660 -6.860 2.880 1.00 12.33 H new ATOM 0 HB3 MET A 1 -12.655 -5.567 2.256 1.00 12.33 H new ATOM 0 HG2 MET A 1 -12.941 -6.467 -0.044 1.00 72.14 H new ATOM 0 HG3 MET A 1 -13.967 -7.739 0.589 1.00 72.14 H new ATOM 0 HE1 MET A 1 -16.358 -5.206 -1.320 1.00 53.22 H new ATOM 0 HE2 MET A 1 -14.878 -6.129 -1.672 1.00 53.22 H new ATOM 0 HE3 MET A 1 -16.275 -6.939 -0.926 1.00 53.22 H new ATOM 20 N ILE A 2 -10.348 -5.935 3.534 1.00 10.54 N ATOM 21 CA ILE A 2 -9.833 -5.309 4.748 1.00 32.43 C ATOM 22 C ILE A 2 -10.248 -3.828 4.737 1.00 61.24 C ATOM 23 O ILE A 2 -10.372 -3.224 3.663 1.00 64.02 O ATOM 24 CB ILE A 2 -8.281 -5.481 4.899 1.00 5.35 C ATOM 25 CG1 ILE A 2 -7.802 -4.948 6.268 1.00 43.22 C ATOM 26 CG2 ILE A 2 -7.527 -4.806 3.756 1.00 42.33 C ATOM 27 CD1 ILE A 2 -6.314 -5.075 6.524 1.00 4.05 C ATOM 0 H ILE A 2 -10.166 -5.404 2.682 1.00 10.54 H new ATOM 0 HA ILE A 2 -10.263 -5.806 5.618 1.00 32.43 H new ATOM 0 HB ILE A 2 -8.061 -6.547 4.850 1.00 5.35 H new ATOM 0 HG12 ILE A 2 -8.080 -3.897 6.348 1.00 43.22 H new ATOM 0 HG13 ILE A 2 -8.337 -5.480 7.055 1.00 43.22 H new ATOM 0 HG21 ILE A 2 -6.455 -4.946 3.894 1.00 42.33 H new ATOM 0 HG22 ILE A 2 -7.831 -5.249 2.808 1.00 42.33 H new ATOM 0 HG23 ILE A 2 -7.756 -3.740 3.749 1.00 42.33 H new ATOM 0 HD11 ILE A 2 -6.079 -4.673 7.510 1.00 4.05 H new ATOM 0 HD12 ILE A 2 -6.026 -6.125 6.482 1.00 4.05 H new ATOM 0 HD13 ILE A 2 -5.765 -4.518 5.765 1.00 4.05 H new ATOM 39 N ARG A 3 -10.513 -3.268 5.914 1.00 61.03 N ATOM 40 CA ARG A 3 -10.977 -1.887 6.027 1.00 63.23 C ATOM 41 C ARG A 3 -9.802 -0.926 5.969 1.00 50.02 C ATOM 42 O ARG A 3 -9.093 -0.706 6.956 1.00 43.05 O ATOM 43 CB ARG A 3 -11.800 -1.664 7.308 1.00 51.20 C ATOM 44 CG ARG A 3 -13.287 -2.012 7.197 1.00 53.02 C ATOM 45 CD ARG A 3 -13.530 -3.474 6.852 1.00 31.41 C ATOM 46 NE ARG A 3 -14.946 -3.825 6.904 1.00 62.40 N ATOM 47 CZ ARG A 3 -15.590 -4.528 5.968 1.00 73.02 C ATOM 48 NH1 ARG A 3 -14.985 -4.872 4.839 1.00 35.25 N ATOM 49 NH2 ARG A 3 -16.859 -4.845 6.151 1.00 72.05 N ATOM 0 H ARG A 3 -10.414 -3.751 6.807 1.00 61.03 H new ATOM 0 HA ARG A 3 -11.634 -1.689 5.180 1.00 63.23 H new ATOM 0 HB2 ARG A 3 -11.363 -2.259 8.110 1.00 51.20 H new ATOM 0 HB3 ARG A 3 -11.709 -0.618 7.602 1.00 51.20 H new ATOM 0 HG2 ARG A 3 -13.780 -1.780 8.141 1.00 53.02 H new ATOM 0 HG3 ARG A 3 -13.746 -1.383 6.434 1.00 53.02 H new ATOM 0 HD2 ARG A 3 -13.143 -3.679 5.854 1.00 31.41 H new ATOM 0 HD3 ARG A 3 -12.975 -4.106 7.545 1.00 31.41 H new ATOM 0 HE ARG A 3 -15.482 -3.511 7.713 1.00 62.40 H new ATOM 0 HH11 ARG A 3 -14.016 -4.600 4.676 1.00 35.25 H new ATOM 0 HH12 ARG A 3 -15.489 -5.409 4.133 1.00 35.25 H new ATOM 0 HH21 ARG A 3 -17.340 -4.553 7.002 1.00 72.05 H new ATOM 0 HH22 ARG A 3 -17.358 -5.381 5.441 1.00 72.05 H new ATOM 63 N LEU A 4 -9.576 -0.405 4.778 1.00 32.42 N ATOM 64 CA LEU A 4 -8.516 0.550 4.543 1.00 62.13 C ATOM 65 C LEU A 4 -9.100 1.937 4.345 1.00 14.24 C ATOM 66 O LEU A 4 -10.236 2.079 3.887 1.00 43.40 O ATOM 67 CB LEU A 4 -7.701 0.152 3.304 1.00 63.10 C ATOM 68 CG LEU A 4 -7.033 -1.223 3.354 1.00 35.42 C ATOM 69 CD1 LEU A 4 -6.424 -1.556 2.005 1.00 20.44 C ATOM 70 CD2 LEU A 4 -5.969 -1.272 4.439 1.00 63.13 C ATOM 0 H LEU A 4 -10.123 -0.633 3.948 1.00 32.42 H new ATOM 0 HA LEU A 4 -7.858 0.557 5.412 1.00 62.13 H new ATOM 0 HB2 LEU A 4 -8.359 0.183 2.436 1.00 63.10 H new ATOM 0 HB3 LEU A 4 -6.928 0.904 3.145 1.00 63.10 H new ATOM 0 HG LEU A 4 -7.795 -1.965 3.593 1.00 35.42 H new ATOM 0 HD11 LEU A 4 -5.951 -2.537 2.051 1.00 20.44 H new ATOM 0 HD12 LEU A 4 -7.206 -1.566 1.245 1.00 20.44 H new ATOM 0 HD13 LEU A 4 -5.677 -0.805 1.748 1.00 20.44 H new ATOM 0 HD21 LEU A 4 -5.509 -2.260 4.454 1.00 63.13 H new ATOM 0 HD22 LEU A 4 -5.207 -0.520 4.235 1.00 63.13 H new ATOM 0 HD23 LEU A 4 -6.427 -1.071 5.407 1.00 63.13 H new ATOM 82 N THR A 5 -8.332 2.953 4.709 1.00 14.25 N ATOM 83 CA THR A 5 -8.662 4.322 4.342 1.00 33.23 C ATOM 84 C THR A 5 -8.367 4.538 2.857 1.00 5.41 C ATOM 85 O THR A 5 -7.636 3.757 2.236 1.00 3.13 O ATOM 86 CB THR A 5 -7.896 5.349 5.208 1.00 35.14 C ATOM 87 OG1 THR A 5 -6.763 4.733 5.840 1.00 2.10 O ATOM 88 CG2 THR A 5 -8.810 5.946 6.266 1.00 30.15 C ATOM 0 H THR A 5 -7.477 2.856 5.257 1.00 14.25 H new ATOM 0 HA THR A 5 -9.725 4.479 4.526 1.00 33.23 H new ATOM 0 HB THR A 5 -7.546 6.146 4.552 1.00 35.14 H new ATOM 0 HG1 THR A 5 -5.945 4.985 5.362 1.00 2.10 H new ATOM 0 HG21 THR A 5 -8.252 6.666 6.865 1.00 30.15 H new ATOM 0 HG22 THR A 5 -9.648 6.448 5.782 1.00 30.15 H new ATOM 0 HG23 THR A 5 -9.187 5.152 6.911 1.00 30.15 H new ATOM 96 N ILE A 6 -8.941 5.580 2.278 1.00 33.44 N ATOM 97 CA ILE A 6 -8.799 5.812 0.843 1.00 2.11 C ATOM 98 C ILE A 6 -7.443 6.475 0.524 1.00 1.15 C ATOM 99 O ILE A 6 -7.029 6.556 -0.628 1.00 51.53 O ATOM 100 CB ILE A 6 -9.990 6.628 0.259 1.00 35.03 C ATOM 101 CG1 ILE A 6 -11.347 6.141 0.821 1.00 0.34 C ATOM 102 CG2 ILE A 6 -10.012 6.530 -1.258 1.00 11.12 C ATOM 103 CD1 ILE A 6 -11.663 4.673 0.578 1.00 73.51 C ATOM 0 H ILE A 6 -9.504 6.274 2.770 1.00 33.44 H new ATOM 0 HA ILE A 6 -8.820 4.839 0.352 1.00 2.11 H new ATOM 0 HB ILE A 6 -9.844 7.666 0.557 1.00 35.03 H new ATOM 0 HG12 ILE A 6 -11.364 6.326 1.895 1.00 0.34 H new ATOM 0 HG13 ILE A 6 -12.141 6.744 0.381 1.00 0.34 H new ATOM 0 HG21 ILE A 6 -10.851 7.106 -1.648 1.00 11.12 H new ATOM 0 HG22 ILE A 6 -9.080 6.927 -1.662 1.00 11.12 H new ATOM 0 HG23 ILE A 6 -10.120 5.486 -1.554 1.00 11.12 H new ATOM 0 HD11 ILE A 6 -12.634 4.434 1.010 1.00 73.51 H new ATOM 0 HD12 ILE A 6 -11.685 4.478 -0.494 1.00 73.51 H new ATOM 0 HD13 ILE A 6 -10.896 4.054 1.043 1.00 73.51 H new ATOM 115 N GLU A 7 -6.723 6.899 1.563 1.00 33.33 N ATOM 116 CA GLU A 7 -5.339 7.328 1.404 1.00 71.32 C ATOM 117 C GLU A 7 -4.440 6.135 1.094 1.00 33.00 C ATOM 118 O GLU A 7 -3.503 6.257 0.302 1.00 71.43 O ATOM 119 CB GLU A 7 -4.840 8.036 2.655 1.00 2.41 C ATOM 120 CG GLU A 7 -4.261 9.411 2.374 1.00 14.12 C ATOM 121 CD GLU A 7 -5.320 10.423 1.985 1.00 33.32 C ATOM 122 OE1 GLU A 7 -5.618 10.555 0.780 1.00 23.02 O ATOM 123 OE2 GLU A 7 -5.862 11.086 2.888 1.00 31.12 O ATOM 0 H GLU A 7 -7.076 6.953 2.518 1.00 33.33 H new ATOM 0 HA GLU A 7 -5.302 8.028 0.570 1.00 71.32 H new ATOM 0 HB2 GLU A 7 -5.664 8.133 3.362 1.00 2.41 H new ATOM 0 HB3 GLU A 7 -4.079 7.420 3.134 1.00 2.41 H new ATOM 0 HG2 GLU A 7 -3.733 9.766 3.259 1.00 14.12 H new ATOM 0 HG3 GLU A 7 -3.526 9.334 1.573 1.00 14.12 H new ATOM 130 N GLU A 8 -4.771 4.973 1.688 1.00 11.43 N ATOM 131 CA GLU A 8 -4.021 3.736 1.457 1.00 54.24 C ATOM 132 C GLU A 8 -4.199 3.302 0.012 1.00 30.43 C ATOM 133 O GLU A 8 -3.226 3.068 -0.677 1.00 23.41 O ATOM 134 CB GLU A 8 -4.481 2.571 2.353 1.00 14.42 C ATOM 135 CG GLU A 8 -4.813 2.915 3.798 1.00 10.14 C ATOM 136 CD GLU A 8 -3.730 3.664 4.539 1.00 31.32 C ATOM 137 OE1 GLU A 8 -2.686 3.062 4.852 1.00 25.14 O ATOM 138 OE2 GLU A 8 -3.963 4.844 4.866 1.00 60.43 O ATOM 0 H GLU A 8 -5.556 4.871 2.332 1.00 11.43 H new ATOM 0 HA GLU A 8 -2.981 3.958 1.694 1.00 54.24 H new ATOM 0 HB2 GLU A 8 -5.363 2.119 1.899 1.00 14.42 H new ATOM 0 HB3 GLU A 8 -3.699 1.812 2.354 1.00 14.42 H new ATOM 0 HG2 GLU A 8 -5.724 3.513 3.814 1.00 10.14 H new ATOM 0 HG3 GLU A 8 -5.029 1.992 4.336 1.00 10.14 H new ATOM 145 N THR A 9 -5.458 3.273 -0.439 1.00 60.41 N ATOM 146 CA THR A 9 -5.817 2.838 -1.789 1.00 51.14 C ATOM 147 C THR A 9 -5.367 3.825 -2.873 1.00 31.11 C ATOM 148 O THR A 9 -5.156 3.427 -4.010 1.00 20.45 O ATOM 149 CB THR A 9 -7.318 2.565 -1.913 1.00 33.52 C ATOM 150 OG1 THR A 9 -8.060 3.518 -1.155 1.00 2.01 O ATOM 151 CG2 THR A 9 -7.656 1.156 -1.456 1.00 1.35 C ATOM 0 H THR A 9 -6.259 3.553 0.127 1.00 60.41 H new ATOM 0 HA THR A 9 -5.277 1.906 -1.954 1.00 51.14 H new ATOM 0 HB THR A 9 -7.592 2.658 -2.964 1.00 33.52 H new ATOM 0 HG1 THR A 9 -8.683 3.992 -1.745 1.00 2.01 H new ATOM 0 HG21 THR A 9 -8.729 0.989 -1.555 1.00 1.35 H new ATOM 0 HG22 THR A 9 -7.118 0.435 -2.072 1.00 1.35 H new ATOM 0 HG23 THR A 9 -7.364 1.032 -0.413 1.00 1.35 H new ATOM 159 N ASN A 10 -5.241 5.110 -2.525 1.00 10.23 N ATOM 160 CA ASN A 10 -4.712 6.123 -3.450 1.00 10.33 C ATOM 161 C ASN A 10 -3.210 5.905 -3.709 1.00 0.33 C ATOM 162 O ASN A 10 -2.748 6.024 -4.843 1.00 25.22 O ATOM 163 CB ASN A 10 -4.958 7.531 -2.890 1.00 63.44 C ATOM 164 CG ASN A 10 -4.526 8.635 -3.841 1.00 1.21 C ATOM 165 OD1 ASN A 10 -3.389 9.103 -3.790 1.00 71.24 O ATOM 166 ND2 ASN A 10 -5.426 9.053 -4.723 1.00 51.12 N ATOM 0 H ASN A 10 -5.498 5.476 -1.608 1.00 10.23 H new ATOM 0 HA ASN A 10 -5.236 6.023 -4.400 1.00 10.33 H new ATOM 0 HB2 ASN A 10 -6.019 7.646 -2.667 1.00 63.44 H new ATOM 0 HB3 ASN A 10 -4.420 7.640 -1.948 1.00 63.44 H new ATOM 0 HD21 ASN A 10 -5.185 9.787 -5.389 1.00 51.12 H new ATOM 0 HD22 ASN A 10 -6.359 8.640 -4.734 1.00 51.12 H new ATOM 173 N LEU A 11 -2.473 5.558 -2.648 1.00 63.32 N ATOM 174 CA LEU A 11 -1.047 5.207 -2.737 1.00 64.10 C ATOM 175 C LEU A 11 -0.856 3.895 -3.504 1.00 4.44 C ATOM 176 O LEU A 11 0.076 3.753 -4.297 1.00 31.33 O ATOM 177 CB LEU A 11 -0.469 5.075 -1.322 1.00 24.22 C ATOM 178 CG LEU A 11 0.955 4.513 -1.215 1.00 4.45 C ATOM 179 CD1 LEU A 11 1.984 5.477 -1.784 1.00 62.44 C ATOM 180 CD2 LEU A 11 1.268 4.175 0.224 1.00 64.14 C ATOM 0 H LEU A 11 -2.847 5.512 -1.700 1.00 63.32 H new ATOM 0 HA LEU A 11 -0.523 5.996 -3.277 1.00 64.10 H new ATOM 0 HB2 LEU A 11 -0.484 6.059 -0.854 1.00 24.22 H new ATOM 0 HB3 LEU A 11 -1.133 4.436 -0.740 1.00 24.22 H new ATOM 0 HG LEU A 11 1.007 3.602 -1.811 1.00 4.45 H new ATOM 0 HD11 LEU A 11 2.980 5.044 -1.690 1.00 62.44 H new ATOM 0 HD12 LEU A 11 1.767 5.662 -2.836 1.00 62.44 H new ATOM 0 HD13 LEU A 11 1.944 6.417 -1.234 1.00 62.44 H new ATOM 0 HD21 LEU A 11 2.280 3.777 0.292 1.00 64.14 H new ATOM 0 HD22 LEU A 11 1.190 5.075 0.834 1.00 64.14 H new ATOM 0 HD23 LEU A 11 0.560 3.429 0.585 1.00 64.14 H new ATOM 192 N LEU A 12 -1.769 2.956 -3.256 1.00 73.34 N ATOM 193 CA LEU A 12 -1.795 1.662 -3.933 1.00 75.25 C ATOM 194 C LEU A 12 -2.093 1.802 -5.421 1.00 72.25 C ATOM 195 O LEU A 12 -1.628 1.006 -6.210 1.00 54.13 O ATOM 196 CB LEU A 12 -2.833 0.744 -3.285 1.00 63.34 C ATOM 197 CG LEU A 12 -2.558 0.359 -1.833 1.00 21.02 C ATOM 198 CD1 LEU A 12 -3.666 -0.524 -1.288 1.00 33.44 C ATOM 199 CD2 LEU A 12 -1.213 -0.327 -1.703 1.00 23.02 C ATOM 0 H LEU A 12 -2.517 3.074 -2.573 1.00 73.34 H new ATOM 0 HA LEU A 12 -0.802 1.224 -3.829 1.00 75.25 H new ATOM 0 HB2 LEU A 12 -3.806 1.233 -3.334 1.00 63.34 H new ATOM 0 HB3 LEU A 12 -2.905 -0.169 -3.877 1.00 63.34 H new ATOM 0 HG LEU A 12 -2.532 1.274 -1.241 1.00 21.02 H new ATOM 0 HD11 LEU A 12 -3.447 -0.785 -0.253 1.00 33.44 H new ATOM 0 HD12 LEU A 12 -4.614 0.011 -1.335 1.00 33.44 H new ATOM 0 HD13 LEU A 12 -3.733 -1.434 -1.885 1.00 33.44 H new ATOM 0 HD21 LEU A 12 -1.039 -0.592 -0.660 1.00 23.02 H new ATOM 0 HD22 LEU A 12 -1.205 -1.230 -2.313 1.00 23.02 H new ATOM 0 HD23 LEU A 12 -0.426 0.347 -2.042 1.00 23.02 H new ATOM 211 N SER A 13 -2.885 2.812 -5.779 1.00 71.30 N ATOM 212 CA SER A 13 -3.201 3.130 -7.165 1.00 30.32 C ATOM 213 C SER A 13 -1.978 3.686 -7.916 1.00 15.45 C ATOM 214 O SER A 13 -1.834 3.449 -9.120 1.00 42.35 O ATOM 215 CB SER A 13 -4.351 4.136 -7.201 1.00 30.11 C ATOM 216 OG SER A 13 -4.781 4.397 -8.522 1.00 53.21 O ATOM 0 H SER A 13 -3.328 3.437 -5.106 1.00 71.30 H new ATOM 0 HA SER A 13 -3.498 2.211 -7.670 1.00 30.32 H new ATOM 0 HB2 SER A 13 -5.187 3.753 -6.616 1.00 30.11 H new ATOM 0 HB3 SER A 13 -4.034 5.067 -6.732 1.00 30.11 H new ATOM 0 HG SER A 13 -5.518 5.043 -8.505 1.00 53.21 H new ATOM 222 N ILE A 14 -1.098 4.408 -7.200 1.00 73.21 N ATOM 223 CA ILE A 14 0.130 4.964 -7.790 1.00 63.12 C ATOM 224 C ILE A 14 1.109 3.834 -8.146 1.00 23.22 C ATOM 225 O ILE A 14 1.634 3.778 -9.258 1.00 24.01 O ATOM 226 CB ILE A 14 0.833 5.983 -6.835 1.00 62.13 C ATOM 227 CG1 ILE A 14 -0.127 7.129 -6.476 1.00 12.03 C ATOM 228 CG2 ILE A 14 2.115 6.548 -7.470 1.00 32.01 C ATOM 229 CD1 ILE A 14 0.414 8.095 -5.438 1.00 54.42 C ATOM 0 H ILE A 14 -1.216 4.620 -6.209 1.00 73.21 H new ATOM 0 HA ILE A 14 -0.162 5.499 -8.694 1.00 63.12 H new ATOM 0 HB ILE A 14 1.110 5.452 -5.924 1.00 62.13 H new ATOM 0 HG12 ILE A 14 -0.366 7.685 -7.383 1.00 12.03 H new ATOM 0 HG13 ILE A 14 -1.060 6.703 -6.108 1.00 12.03 H new ATOM 0 HG21 ILE A 14 2.581 7.253 -6.782 1.00 32.01 H new ATOM 0 HG22 ILE A 14 2.808 5.733 -7.678 1.00 32.01 H new ATOM 0 HG23 ILE A 14 1.866 7.059 -8.400 1.00 32.01 H new ATOM 0 HD11 ILE A 14 -0.326 8.872 -5.243 1.00 54.42 H new ATOM 0 HD12 ILE A 14 0.626 7.556 -4.515 1.00 54.42 H new ATOM 0 HD13 ILE A 14 1.331 8.552 -5.810 1.00 54.42 H new ATOM 241 N TYR A 15 1.297 2.910 -7.205 1.00 40.25 N ATOM 242 CA TYR A 15 2.300 1.856 -7.338 1.00 13.41 C ATOM 243 C TYR A 15 1.691 0.496 -7.661 1.00 11.21 C ATOM 244 O TYR A 15 2.303 -0.531 -7.367 1.00 63.34 O ATOM 245 CB TYR A 15 3.118 1.764 -6.044 1.00 42.55 C ATOM 246 CG TYR A 15 4.116 2.881 -5.888 1.00 30.44 C ATOM 247 CD1 TYR A 15 5.340 2.814 -6.530 1.00 64.03 C ATOM 248 CD2 TYR A 15 3.831 4.005 -5.127 1.00 33.53 C ATOM 249 CE1 TYR A 15 6.264 3.828 -6.411 1.00 20.13 C ATOM 250 CE2 TYR A 15 4.748 5.029 -5.006 1.00 73.42 C ATOM 251 CZ TYR A 15 5.964 4.936 -5.654 1.00 74.41 C ATOM 252 OH TYR A 15 6.884 5.953 -5.546 1.00 73.32 O ATOM 0 H TYR A 15 0.763 2.871 -6.337 1.00 40.25 H new ATOM 0 HA TYR A 15 2.942 2.124 -8.177 1.00 13.41 H new ATOM 0 HB2 TYR A 15 2.438 1.772 -5.192 1.00 42.55 H new ATOM 0 HB3 TYR A 15 3.645 0.810 -6.023 1.00 42.55 H new ATOM 0 HD1 TYR A 15 5.575 1.951 -7.135 1.00 64.03 H new ATOM 0 HD2 TYR A 15 2.879 4.080 -4.623 1.00 33.53 H new ATOM 0 HE1 TYR A 15 7.219 3.753 -6.910 1.00 20.13 H new ATOM 0 HE2 TYR A 15 4.516 5.898 -4.408 1.00 73.42 H new ATOM 0 HH TYR A 15 6.449 6.809 -5.742 1.00 73.32 H new ATOM 262 N ASN A 16 0.518 0.492 -8.309 1.00 3.23 N ATOM 263 CA ASN A 16 -0.205 -0.753 -8.591 1.00 12.14 C ATOM 264 C ASN A 16 0.501 -1.570 -9.658 1.00 51.35 C ATOM 265 O ASN A 16 0.475 -1.235 -10.842 1.00 45.44 O ATOM 266 CB ASN A 16 -1.655 -0.483 -9.010 1.00 11.42 C ATOM 267 CG ASN A 16 -2.498 -1.755 -9.036 1.00 71.52 C ATOM 268 OD1 ASN A 16 -2.266 -2.691 -8.268 1.00 22.11 O ATOM 269 ND2 ASN A 16 -3.485 -1.799 -9.914 1.00 33.24 N ATOM 0 H ASN A 16 0.052 1.334 -8.646 1.00 3.23 H new ATOM 0 HA ASN A 16 -0.219 -1.328 -7.665 1.00 12.14 H new ATOM 0 HB2 ASN A 16 -2.103 0.233 -8.320 1.00 11.42 H new ATOM 0 HB3 ASN A 16 -1.665 -0.023 -9.998 1.00 11.42 H new ATOM 0 HD21 ASN A 16 -4.081 -2.625 -9.970 1.00 33.24 H new ATOM 0 HD22 ASN A 16 -3.650 -1.007 -10.535 1.00 33.24 H new ATOM 276 N GLU A 17 1.168 -2.613 -9.201 1.00 40.43 N ATOM 277 CA GLU A 17 1.849 -3.541 -10.069 1.00 34.41 C ATOM 278 C GLU A 17 0.901 -4.691 -10.453 1.00 73.42 C ATOM 279 O GLU A 17 1.084 -5.341 -11.488 1.00 43.11 O ATOM 280 CB GLU A 17 3.110 -4.049 -9.358 1.00 74.00 C ATOM 281 CG GLU A 17 4.150 -4.662 -10.283 1.00 20.43 C ATOM 282 CD GLU A 17 4.711 -3.669 -11.282 1.00 43.21 C ATOM 283 OE1 GLU A 17 5.676 -2.960 -10.944 1.00 44.21 O ATOM 284 OE2 GLU A 17 4.190 -3.599 -12.416 1.00 61.21 O ATOM 0 H GLU A 17 1.250 -2.837 -8.209 1.00 40.43 H new ATOM 0 HA GLU A 17 2.151 -3.049 -10.993 1.00 34.41 H new ATOM 0 HB2 GLU A 17 3.566 -3.220 -8.817 1.00 74.00 H new ATOM 0 HB3 GLU A 17 2.819 -4.792 -8.615 1.00 74.00 H new ATOM 0 HG2 GLU A 17 4.966 -5.068 -9.685 1.00 20.43 H new ATOM 0 HG3 GLU A 17 3.702 -5.498 -10.821 1.00 20.43 H new ATOM 291 N GLY A 18 -0.124 -4.919 -9.627 1.00 54.24 N ATOM 292 CA GLY A 18 -1.111 -5.938 -9.930 1.00 12.54 C ATOM 293 C GLY A 18 -1.548 -6.727 -8.715 1.00 42.12 C ATOM 294 O GLY A 18 -2.726 -7.062 -8.580 1.00 45.31 O ATOM 0 H GLY A 18 -0.284 -4.414 -8.755 1.00 54.24 H new ATOM 0 HA2 GLY A 18 -1.984 -5.466 -10.381 1.00 12.54 H new ATOM 0 HA3 GLY A 18 -0.700 -6.623 -10.671 1.00 12.54 H new ATOM 298 N GLY A 19 -0.606 -7.017 -7.827 1.00 54.24 N ATOM 299 CA GLY A 19 -0.899 -7.821 -6.659 1.00 32.11 C ATOM 300 C GLY A 19 -0.251 -7.269 -5.419 1.00 43.21 C ATOM 301 O GLY A 19 0.464 -6.274 -5.493 1.00 4.35 O ATOM 0 H GLY A 19 0.363 -6.706 -7.897 1.00 54.24 H new ATOM 0 HA2 GLY A 19 -1.978 -7.869 -6.513 1.00 32.11 H new ATOM 0 HA3 GLY A 19 -0.554 -8.841 -6.825 1.00 32.11 H new ATOM 305 N LYS A 20 -0.463 -7.932 -4.281 1.00 24.43 N ATOM 306 CA LYS A 20 -0.019 -7.401 -2.994 1.00 0.40 C ATOM 307 C LYS A 20 1.481 -7.608 -2.808 1.00 44.31 C ATOM 308 O LYS A 20 2.137 -6.816 -2.142 1.00 63.03 O ATOM 309 CB LYS A 20 -0.853 -8.014 -1.839 1.00 54.51 C ATOM 310 CG LYS A 20 -0.328 -9.283 -1.171 1.00 1.53 C ATOM 311 CD LYS A 20 0.413 -8.944 0.112 1.00 74.13 C ATOM 312 CE LYS A 20 0.704 -10.161 0.953 1.00 61.13 C ATOM 313 NZ LYS A 20 1.720 -11.033 0.344 1.00 34.45 N ATOM 0 H LYS A 20 -0.937 -8.833 -4.225 1.00 24.43 H new ATOM 0 HA LYS A 20 -0.189 -6.325 -2.977 1.00 0.40 H new ATOM 0 HB2 LYS A 20 -0.965 -7.252 -1.067 1.00 54.51 H new ATOM 0 HB3 LYS A 20 -1.850 -8.227 -2.224 1.00 54.51 H new ATOM 0 HG2 LYS A 20 -1.158 -9.955 -0.952 1.00 1.53 H new ATOM 0 HG3 LYS A 20 0.338 -9.811 -1.853 1.00 1.53 H new ATOM 0 HD2 LYS A 20 1.350 -8.445 -0.135 1.00 74.13 H new ATOM 0 HD3 LYS A 20 -0.180 -8.238 0.694 1.00 74.13 H new ATOM 0 HE2 LYS A 20 1.044 -9.845 1.939 1.00 61.13 H new ATOM 0 HE3 LYS A 20 -0.216 -10.727 1.099 1.00 61.13 H new ATOM 0 HZ1 LYS A 20 1.885 -11.855 0.959 1.00 34.45 H new ATOM 0 HZ2 LYS A 20 1.386 -11.358 -0.586 1.00 34.45 H new ATOM 0 HZ3 LYS A 20 2.608 -10.503 0.228 1.00 34.45 H new ATOM 327 N ARG A 21 2.001 -8.666 -3.425 1.00 4.14 N ATOM 328 CA ARG A 21 3.410 -9.013 -3.364 1.00 64.30 C ATOM 329 C ARG A 21 4.251 -7.952 -4.076 1.00 54.52 C ATOM 330 O ARG A 21 5.240 -7.468 -3.531 1.00 50.53 O ATOM 331 CB ARG A 21 3.575 -10.380 -4.013 1.00 33.23 C ATOM 332 CG ARG A 21 4.956 -10.982 -3.929 1.00 40.05 C ATOM 333 CD ARG A 21 5.053 -12.194 -4.832 1.00 53.32 C ATOM 334 NE ARG A 21 4.795 -11.837 -6.234 1.00 51.40 N ATOM 335 CZ ARG A 21 4.289 -12.659 -7.156 1.00 12.12 C ATOM 336 NH1 ARG A 21 3.899 -13.884 -6.838 1.00 74.40 N ATOM 337 NH2 ARG A 21 4.148 -12.232 -8.401 1.00 51.55 N ATOM 0 H ARG A 21 1.446 -9.311 -3.987 1.00 4.14 H new ATOM 0 HA ARG A 21 3.755 -9.051 -2.331 1.00 64.30 H new ATOM 0 HB2 ARG A 21 2.869 -11.069 -3.549 1.00 33.23 H new ATOM 0 HB3 ARG A 21 3.297 -10.299 -5.064 1.00 33.23 H new ATOM 0 HG2 ARG A 21 5.702 -10.242 -4.220 1.00 40.05 H new ATOM 0 HG3 ARG A 21 5.174 -11.267 -2.900 1.00 40.05 H new ATOM 0 HD2 ARG A 21 6.045 -12.637 -4.744 1.00 53.32 H new ATOM 0 HD3 ARG A 21 4.336 -12.949 -4.509 1.00 53.32 H new ATOM 0 HE ARG A 21 5.020 -10.886 -6.526 1.00 51.40 H new ATOM 0 HH11 ARG A 21 3.983 -14.212 -5.876 1.00 74.40 H new ATOM 0 HH12 ARG A 21 3.514 -14.499 -7.555 1.00 74.40 H new ATOM 0 HH21 ARG A 21 4.425 -11.282 -8.649 1.00 51.55 H new ATOM 0 HH22 ARG A 21 3.762 -12.853 -9.112 1.00 51.55 H new ATOM 351 N GLY A 22 3.818 -7.588 -5.290 1.00 64.35 N ATOM 352 CA GLY A 22 4.467 -6.535 -6.065 1.00 63.55 C ATOM 353 C GLY A 22 4.331 -5.156 -5.437 1.00 11.13 C ATOM 354 O GLY A 22 5.234 -4.336 -5.557 1.00 41.35 O ATOM 0 H GLY A 22 3.016 -8.013 -5.755 1.00 64.35 H new ATOM 0 HA2 GLY A 22 5.525 -6.774 -6.175 1.00 63.55 H new ATOM 0 HA3 GLY A 22 4.039 -6.514 -7.067 1.00 63.55 H new ATOM 358 N LEU A 23 3.202 -4.916 -4.762 1.00 14.33 N ATOM 359 CA LEU A 23 2.957 -3.649 -4.060 1.00 34.43 C ATOM 360 C LEU A 23 3.875 -3.464 -2.866 1.00 44.41 C ATOM 361 O LEU A 23 4.369 -2.369 -2.645 1.00 22.12 O ATOM 362 CB LEU A 23 1.502 -3.543 -3.591 1.00 0.23 C ATOM 363 CG LEU A 23 0.624 -2.548 -4.359 1.00 11.15 C ATOM 364 CD1 LEU A 23 1.193 -1.136 -4.284 1.00 12.32 C ATOM 365 CD2 LEU A 23 0.454 -2.976 -5.805 1.00 1.33 C ATOM 0 H LEU A 23 2.438 -5.587 -4.686 1.00 14.33 H new ATOM 0 HA LEU A 23 3.166 -2.860 -4.783 1.00 34.43 H new ATOM 0 HB2 LEU A 23 1.045 -4.530 -3.660 1.00 0.23 H new ATOM 0 HB3 LEU A 23 1.499 -3.263 -2.538 1.00 0.23 H new ATOM 0 HG LEU A 23 -0.358 -2.543 -3.885 1.00 11.15 H new ATOM 0 HD11 LEU A 23 0.548 -0.454 -4.838 1.00 12.32 H new ATOM 0 HD12 LEU A 23 1.246 -0.820 -3.242 1.00 12.32 H new ATOM 0 HD13 LEU A 23 2.193 -1.123 -4.718 1.00 12.32 H new ATOM 0 HD21 LEU A 23 -0.173 -2.253 -6.327 1.00 1.33 H new ATOM 0 HD22 LEU A 23 1.430 -3.025 -6.287 1.00 1.33 H new ATOM 0 HD23 LEU A 23 -0.018 -3.958 -5.841 1.00 1.33 H new ATOM 377 N MET A 24 4.111 -4.533 -2.109 1.00 52.04 N ATOM 378 CA MET A 24 4.982 -4.463 -0.932 1.00 71.55 C ATOM 379 C MET A 24 6.440 -4.255 -1.325 1.00 14.31 C ATOM 380 O MET A 24 7.187 -3.645 -0.580 1.00 73.11 O ATOM 381 CB MET A 24 4.832 -5.701 -0.044 1.00 10.23 C ATOM 382 CG MET A 24 3.455 -5.813 0.600 1.00 53.44 C ATOM 383 SD MET A 24 3.281 -7.242 1.688 1.00 14.34 S ATOM 384 CE MET A 24 4.336 -6.765 3.053 1.00 63.45 C ATOM 0 H MET A 24 3.714 -5.456 -2.286 1.00 52.04 H new ATOM 0 HA MET A 24 4.664 -3.596 -0.353 1.00 71.55 H new ATOM 0 HB2 MET A 24 5.021 -6.593 -0.641 1.00 10.23 H new ATOM 0 HB3 MET A 24 5.591 -5.674 0.738 1.00 10.23 H new ATOM 0 HG2 MET A 24 3.255 -4.906 1.170 1.00 53.44 H new ATOM 0 HG3 MET A 24 2.700 -5.870 -0.184 1.00 53.44 H new ATOM 0 HE1 MET A 24 4.182 -7.449 3.888 1.00 63.45 H new ATOM 0 HE2 MET A 24 5.379 -6.805 2.738 1.00 63.45 H new ATOM 0 HE3 MET A 24 4.090 -5.750 3.365 1.00 63.45 H new ATOM 394 N GLU A 25 6.827 -4.737 -2.506 1.00 22.01 N ATOM 395 CA GLU A 25 8.163 -4.479 -3.056 1.00 30.44 C ATOM 396 C GLU A 25 8.294 -3.033 -3.550 1.00 53.24 C ATOM 397 O GLU A 25 9.308 -2.384 -3.295 1.00 14.45 O ATOM 398 CB GLU A 25 8.447 -5.419 -4.225 1.00 32.04 C ATOM 399 CG GLU A 25 8.430 -6.893 -3.871 1.00 3.53 C ATOM 400 CD GLU A 25 9.567 -7.295 -2.966 1.00 54.14 C ATOM 401 OE1 GLU A 25 10.693 -7.479 -3.467 1.00 44.24 O ATOM 402 OE2 GLU A 25 9.349 -7.419 -1.748 1.00 40.35 O ATOM 0 H GLU A 25 6.233 -5.311 -3.104 1.00 22.01 H new ATOM 0 HA GLU A 25 8.881 -4.649 -2.254 1.00 30.44 H new ATOM 0 HB2 GLU A 25 7.709 -5.238 -5.006 1.00 32.04 H new ATOM 0 HB3 GLU A 25 9.422 -5.171 -4.644 1.00 32.04 H new ATOM 0 HG2 GLU A 25 7.484 -7.133 -3.386 1.00 3.53 H new ATOM 0 HG3 GLU A 25 8.477 -7.482 -4.787 1.00 3.53 H new ATOM 409 N ASN A 26 7.250 -2.547 -4.253 1.00 41.13 N ATOM 410 CA ASN A 26 7.217 -1.181 -4.822 1.00 2.24 C ATOM 411 C ASN A 26 7.269 -0.114 -3.738 1.00 1.32 C ATOM 412 O ASN A 26 7.986 0.870 -3.869 1.00 73.43 O ATOM 413 CB ASN A 26 5.955 -0.960 -5.672 1.00 74.24 C ATOM 414 CG ASN A 26 6.114 -1.342 -7.137 1.00 54.22 C ATOM 415 OD1 ASN A 26 5.501 -0.735 -8.013 1.00 72.45 O ATOM 416 ND2 ASN A 26 6.923 -2.347 -7.416 1.00 65.44 N ATOM 0 H ASN A 26 6.407 -3.089 -4.443 1.00 41.13 H new ATOM 0 HA ASN A 26 8.102 -1.091 -5.452 1.00 2.24 H new ATOM 0 HB2 ASN A 26 5.137 -1.539 -5.244 1.00 74.24 H new ATOM 0 HB3 ASN A 26 5.669 0.090 -5.611 1.00 74.24 H new ATOM 0 HD21 ASN A 26 7.055 -2.642 -8.383 1.00 65.44 H new ATOM 0 HD22 ASN A 26 7.416 -2.829 -6.664 1.00 65.44 H new ATOM 423 N ILE A 27 6.518 -0.334 -2.668 1.00 63.14 N ATOM 424 CA ILE A 27 6.461 0.591 -1.544 1.00 1.11 C ATOM 425 C ILE A 27 7.765 0.564 -0.723 1.00 25.24 C ATOM 426 O ILE A 27 8.294 1.622 -0.377 1.00 12.04 O ATOM 427 CB ILE A 27 5.219 0.283 -0.657 1.00 75.41 C ATOM 428 CG1 ILE A 27 3.927 0.641 -1.415 1.00 3.35 C ATOM 429 CG2 ILE A 27 5.275 1.026 0.666 1.00 63.33 C ATOM 430 CD1 ILE A 27 2.641 0.235 -0.709 1.00 65.30 C ATOM 0 H ILE A 27 5.930 -1.160 -2.554 1.00 63.14 H new ATOM 0 HA ILE A 27 6.357 1.602 -1.937 1.00 1.11 H new ATOM 0 HB ILE A 27 5.224 -0.784 -0.436 1.00 75.41 H new ATOM 0 HG12 ILE A 27 3.908 1.718 -1.584 1.00 3.35 H new ATOM 0 HG13 ILE A 27 3.953 0.165 -2.395 1.00 3.35 H new ATOM 0 HG21 ILE A 27 4.391 0.785 1.256 1.00 63.33 H new ATOM 0 HG22 ILE A 27 6.169 0.728 1.213 1.00 63.33 H new ATOM 0 HG23 ILE A 27 5.305 2.099 0.479 1.00 63.33 H new ATOM 0 HD11 ILE A 27 1.785 0.527 -1.317 1.00 65.30 H new ATOM 0 HD12 ILE A 27 2.631 -0.845 -0.564 1.00 65.30 H new ATOM 0 HD13 ILE A 27 2.585 0.732 0.260 1.00 65.30 H new ATOM 442 N ASN A 28 8.297 -0.645 -0.476 1.00 43.24 N ATOM 443 CA ASN A 28 9.496 -0.844 0.360 1.00 63.13 C ATOM 444 C ASN A 28 10.734 -0.162 -0.240 1.00 24.51 C ATOM 445 O ASN A 28 11.519 0.463 0.477 1.00 74.50 O ATOM 446 CB ASN A 28 9.785 -2.337 0.503 1.00 44.32 C ATOM 447 CG ASN A 28 10.632 -2.677 1.712 1.00 33.50 C ATOM 448 OD1 ASN A 28 11.859 -2.626 1.670 1.00 42.41 O ATOM 449 ND2 ASN A 28 9.980 -3.076 2.787 1.00 11.32 N ATOM 0 H ASN A 28 7.910 -1.512 -0.849 1.00 43.24 H new ATOM 0 HA ASN A 28 9.290 -0.396 1.332 1.00 63.13 H new ATOM 0 HB2 ASN A 28 8.840 -2.877 0.568 1.00 44.32 H new ATOM 0 HB3 ASN A 28 10.292 -2.688 -0.396 1.00 44.32 H new ATOM 0 HD21 ASN A 28 10.495 -3.356 3.622 1.00 11.32 H new ATOM 0 HD22 ASN A 28 8.960 -3.105 2.784 1.00 11.32 H new ATOM 456 N ALA A 29 10.880 -0.277 -1.559 1.00 3.13 N ATOM 457 CA ALA A 29 12.029 0.278 -2.269 1.00 74.21 C ATOM 458 C ALA A 29 11.903 1.789 -2.473 1.00 41.13 C ATOM 459 O ALA A 29 12.893 2.510 -2.392 1.00 34.10 O ATOM 460 CB ALA A 29 12.201 -0.415 -3.614 1.00 54.01 C ATOM 0 H ALA A 29 10.209 -0.754 -2.161 1.00 3.13 H new ATOM 0 HA ALA A 29 12.909 0.100 -1.651 1.00 74.21 H new ATOM 0 HB1 ALA A 29 13.061 0.008 -4.134 1.00 54.01 H new ATOM 0 HB2 ALA A 29 12.361 -1.482 -3.456 1.00 54.01 H new ATOM 0 HB3 ALA A 29 11.305 -0.268 -4.216 1.00 54.01 H new ATOM 466 N ALA A 30 10.680 2.267 -2.681 1.00 20.35 N ATOM 467 CA ALA A 30 10.461 3.651 -3.073 1.00 3.51 C ATOM 468 C ALA A 30 10.112 4.563 -1.897 1.00 4.24 C ATOM 469 O ALA A 30 9.614 5.653 -2.124 1.00 41.34 O ATOM 470 CB ALA A 30 9.388 3.733 -4.151 1.00 73.31 C ATOM 0 H ALA A 30 9.828 1.715 -2.584 1.00 20.35 H new ATOM 0 HA ALA A 30 11.407 4.015 -3.473 1.00 3.51 H new ATOM 0 HB1 ALA A 30 9.235 4.775 -4.434 1.00 73.31 H new ATOM 0 HB2 ALA A 30 9.705 3.163 -5.024 1.00 73.31 H new ATOM 0 HB3 ALA A 30 8.455 3.321 -3.768 1.00 73.31 H new ATOM 476 N LEU A 31 10.396 4.138 -0.655 1.00 15.51 N ATOM 477 CA LEU A 31 10.147 4.967 0.543 1.00 44.21 C ATOM 478 C LEU A 31 10.804 6.378 0.470 1.00 21.04 C ATOM 479 O LEU A 31 10.087 7.371 0.642 1.00 5.13 O ATOM 480 CB LEU A 31 10.578 4.238 1.832 1.00 1.44 C ATOM 481 CG LEU A 31 9.734 3.030 2.243 1.00 42.22 C ATOM 482 CD1 LEU A 31 10.361 2.343 3.444 1.00 14.24 C ATOM 483 CD2 LEU A 31 8.311 3.454 2.569 1.00 31.24 C ATOM 0 H LEU A 31 10.799 3.224 -0.451 1.00 15.51 H new ATOM 0 HA LEU A 31 9.069 5.126 0.570 1.00 44.21 H new ATOM 0 HB2 LEU A 31 11.610 3.909 1.710 1.00 1.44 H new ATOM 0 HB3 LEU A 31 10.568 4.957 2.651 1.00 1.44 H new ATOM 0 HG LEU A 31 9.702 2.331 1.407 1.00 42.22 H new ATOM 0 HD11 LEU A 31 9.754 1.484 3.730 1.00 14.24 H new ATOM 0 HD12 LEU A 31 11.366 2.008 3.188 1.00 14.24 H new ATOM 0 HD13 LEU A 31 10.414 3.044 4.277 1.00 14.24 H new ATOM 0 HD21 LEU A 31 7.728 2.580 2.859 1.00 31.24 H new ATOM 0 HD22 LEU A 31 8.324 4.170 3.391 1.00 31.24 H new ATOM 0 HD23 LEU A 31 7.859 3.917 1.692 1.00 31.24 H new ATOM 495 N PRO A 32 12.151 6.527 0.198 1.00 51.45 N ATOM 496 CA PRO A 32 12.760 7.867 0.035 1.00 10.10 C ATOM 497 C PRO A 32 12.453 8.533 -1.320 1.00 23.11 C ATOM 498 O PRO A 32 12.753 9.707 -1.516 1.00 73.20 O ATOM 499 CB PRO A 32 14.258 7.587 0.162 1.00 54.23 C ATOM 500 CG PRO A 32 14.434 6.189 -0.309 1.00 72.42 C ATOM 501 CD PRO A 32 13.183 5.458 0.080 1.00 42.42 C ATOM 0 HA PRO A 32 12.365 8.569 0.770 1.00 10.10 H new ATOM 0 HB2 PRO A 32 14.841 8.282 -0.442 1.00 54.23 H new ATOM 0 HB3 PRO A 32 14.594 7.701 1.193 1.00 54.23 H new ATOM 0 HG2 PRO A 32 14.584 6.157 -1.388 1.00 72.42 H new ATOM 0 HG3 PRO A 32 15.311 5.731 0.148 1.00 72.42 H new ATOM 0 HD2 PRO A 32 12.905 4.718 -0.671 1.00 42.42 H new ATOM 0 HD3 PRO A 32 13.311 4.924 1.021 1.00 42.42 H new ATOM 509 N PHE A 33 11.830 7.783 -2.233 1.00 3.14 N ATOM 510 CA PHE A 33 11.570 8.254 -3.592 1.00 54.44 C ATOM 511 C PHE A 33 10.219 8.962 -3.698 1.00 23.44 C ATOM 512 O PHE A 33 10.070 9.870 -4.519 1.00 61.55 O ATOM 513 CB PHE A 33 11.606 7.086 -4.585 1.00 33.32 C ATOM 514 CG PHE A 33 12.967 6.479 -4.791 1.00 72.54 C ATOM 515 CD1 PHE A 33 13.828 6.990 -5.748 1.00 53.44 C ATOM 516 CD2 PHE A 33 13.383 5.393 -4.037 1.00 3.52 C ATOM 517 CE1 PHE A 33 15.076 6.433 -5.945 1.00 65.32 C ATOM 518 CE2 PHE A 33 14.628 4.832 -4.230 1.00 4.25 C ATOM 519 CZ PHE A 33 15.477 5.350 -5.184 1.00 4.14 C ATOM 0 H PHE A 33 11.494 6.837 -2.050 1.00 3.14 H new ATOM 0 HA PHE A 33 12.356 8.969 -3.837 1.00 54.44 H new ATOM 0 HB2 PHE A 33 10.925 6.309 -4.236 1.00 33.32 H new ATOM 0 HB3 PHE A 33 11.228 7.433 -5.547 1.00 33.32 H new ATOM 0 HD1 PHE A 33 13.520 7.834 -6.347 1.00 53.44 H new ATOM 0 HD2 PHE A 33 12.723 4.980 -3.288 1.00 3.52 H new ATOM 0 HE1 PHE A 33 15.739 6.843 -6.693 1.00 65.32 H new ATOM 0 HE2 PHE A 33 14.938 3.987 -3.633 1.00 4.25 H new ATOM 0 HZ PHE A 33 16.452 4.912 -5.337 1.00 4.14 H new ATOM 529 N MET A 34 9.243 8.540 -2.872 1.00 61.02 N ATOM 530 CA MET A 34 7.871 9.086 -2.904 1.00 64.01 C ATOM 531 C MET A 34 7.829 10.543 -2.447 1.00 54.22 C ATOM 532 O MET A 34 7.714 11.464 -3.261 1.00 54.32 O ATOM 533 CB MET A 34 6.933 8.285 -1.986 1.00 41.23 C ATOM 534 CG MET A 34 6.760 6.830 -2.335 1.00 65.43 C ATOM 535 SD MET A 34 5.839 5.950 -1.069 1.00 35.20 S ATOM 536 CE MET A 34 6.020 4.267 -1.638 1.00 14.21 C ATOM 0 H MET A 34 9.381 7.815 -2.167 1.00 61.02 H new ATOM 0 HA MET A 34 7.542 9.015 -3.941 1.00 64.01 H new ATOM 0 HB2 MET A 34 7.310 8.352 -0.965 1.00 41.23 H new ATOM 0 HB3 MET A 34 5.952 8.761 -1.996 1.00 41.23 H new ATOM 0 HG2 MET A 34 6.241 6.744 -3.289 1.00 65.43 H new ATOM 0 HG3 MET A 34 7.739 6.367 -2.462 1.00 65.43 H new ATOM 0 HE1 MET A 34 5.065 3.748 -1.550 1.00 14.21 H new ATOM 0 HE2 MET A 34 6.338 4.268 -2.681 1.00 14.21 H new ATOM 0 HE3 MET A 34 6.768 3.756 -1.031 1.00 14.21 H new ATOM 546 N ASP A 35 7.943 10.707 -1.128 1.00 24.14 N ATOM 547 CA ASP A 35 7.773 11.968 -0.417 1.00 11.53 C ATOM 548 C ASP A 35 7.994 11.625 1.050 1.00 44.12 C ATOM 549 O ASP A 35 8.092 10.446 1.372 1.00 31.50 O ATOM 550 CB ASP A 35 6.346 12.525 -0.640 1.00 11.31 C ATOM 551 CG ASP A 35 6.159 13.958 -0.181 1.00 12.42 C ATOM 552 OD1 ASP A 35 6.605 14.877 -0.893 1.00 12.30 O ATOM 553 OD2 ASP A 35 5.561 14.167 0.885 1.00 4.22 O ATOM 0 H ASP A 35 8.165 9.931 -0.504 1.00 24.14 H new ATOM 0 HA ASP A 35 8.466 12.734 -0.765 1.00 11.53 H new ATOM 0 HB2 ASP A 35 6.105 12.461 -1.701 1.00 11.31 H new ATOM 0 HB3 ASP A 35 5.634 11.890 -0.112 1.00 11.31 H new ATOM 558 N GLU A 36 8.107 12.608 1.930 1.00 24.21 N ATOM 559 CA GLU A 36 8.217 12.336 3.357 1.00 35.21 C ATOM 560 C GLU A 36 6.847 11.973 3.952 1.00 41.04 C ATOM 561 O GLU A 36 6.747 11.048 4.755 1.00 23.13 O ATOM 562 CB GLU A 36 8.816 13.546 4.064 1.00 31.42 C ATOM 563 CG GLU A 36 9.202 13.289 5.503 1.00 2.53 C ATOM 564 CD GLU A 36 9.864 14.490 6.124 1.00 63.05 C ATOM 565 OE1 GLU A 36 11.090 14.647 5.960 1.00 64.14 O ATOM 566 OE2 GLU A 36 9.166 15.287 6.773 1.00 44.22 O ATOM 0 H GLU A 36 8.125 13.598 1.684 1.00 24.21 H new ATOM 0 HA GLU A 36 8.876 11.481 3.505 1.00 35.21 H new ATOM 0 HB2 GLU A 36 9.698 13.875 3.515 1.00 31.42 H new ATOM 0 HB3 GLU A 36 8.097 14.365 4.032 1.00 31.42 H new ATOM 0 HG2 GLU A 36 8.313 13.026 6.077 1.00 2.53 H new ATOM 0 HG3 GLU A 36 9.878 12.435 5.552 1.00 2.53 H new ATOM 573 N ASP A 37 5.797 12.678 3.508 1.00 40.44 N ATOM 574 CA ASP A 37 4.417 12.431 3.962 1.00 44.44 C ATOM 575 C ASP A 37 3.888 11.104 3.414 1.00 21.21 C ATOM 576 O ASP A 37 3.249 10.325 4.129 1.00 12.55 O ATOM 577 CB ASP A 37 3.506 13.570 3.490 1.00 2.55 C ATOM 578 CG ASP A 37 2.095 13.479 4.045 1.00 72.12 C ATOM 579 OD1 ASP A 37 1.859 13.975 5.165 1.00 21.22 O ATOM 580 OD2 ASP A 37 1.214 12.929 3.354 1.00 73.34 O ATOM 0 H ASP A 37 5.877 13.433 2.827 1.00 40.44 H new ATOM 0 HA ASP A 37 4.421 12.383 5.051 1.00 44.44 H new ATOM 0 HB2 ASP A 37 3.945 14.523 3.785 1.00 2.55 H new ATOM 0 HB3 ASP A 37 3.462 13.563 2.401 1.00 2.55 H new ATOM 585 N MET A 38 4.197 10.858 2.141 1.00 72.51 N ATOM 586 CA MET A 38 3.779 9.645 1.446 1.00 24.34 C ATOM 587 C MET A 38 4.524 8.413 1.981 1.00 33.50 C ATOM 588 O MET A 38 4.016 7.309 1.904 1.00 13.23 O ATOM 589 CB MET A 38 4.009 9.790 -0.056 1.00 61.35 C ATOM 590 CG MET A 38 2.943 9.110 -0.900 1.00 33.20 C ATOM 591 SD MET A 38 1.316 9.867 -0.695 1.00 65.34 S ATOM 592 CE MET A 38 0.306 8.829 -1.748 1.00 72.25 C ATOM 0 H MET A 38 4.745 11.496 1.564 1.00 72.51 H new ATOM 0 HA MET A 38 2.714 9.502 1.630 1.00 24.34 H new ATOM 0 HB2 MET A 38 4.042 10.849 -0.310 1.00 61.35 H new ATOM 0 HB3 MET A 38 4.983 9.371 -0.309 1.00 61.35 H new ATOM 0 HG2 MET A 38 3.232 9.155 -1.950 1.00 33.20 H new ATOM 0 HG3 MET A 38 2.887 8.056 -0.629 1.00 33.20 H new ATOM 0 HE1 MET A 38 -0.163 9.440 -2.519 1.00 72.25 H new ATOM 0 HE2 MET A 38 0.931 8.069 -2.217 1.00 72.25 H new ATOM 0 HE3 MET A 38 -0.466 8.345 -1.149 1.00 72.25 H new ATOM 602 N ARG A 39 5.734 8.629 2.513 1.00 24.32 N ATOM 603 CA ARG A 39 6.544 7.573 3.146 1.00 74.44 C ATOM 604 C ARG A 39 5.927 7.105 4.457 1.00 71.31 C ATOM 605 O ARG A 39 5.895 5.903 4.731 1.00 34.11 O ATOM 606 CB ARG A 39 7.941 8.108 3.424 1.00 63.23 C ATOM 607 CG ARG A 39 8.943 7.089 3.933 1.00 74.34 C ATOM 608 CD ARG A 39 10.242 7.765 4.332 1.00 71.42 C ATOM 609 NE ARG A 39 10.743 8.653 3.277 1.00 71.53 N ATOM 610 CZ ARG A 39 11.273 9.860 3.488 1.00 52.44 C ATOM 611 NH1 ARG A 39 11.483 10.305 4.725 1.00 23.13 N ATOM 612 NH2 ARG A 39 11.598 10.620 2.455 1.00 12.21 N ATOM 0 H ARG A 39 6.183 9.545 2.518 1.00 24.32 H new ATOM 0 HA ARG A 39 6.585 6.725 2.462 1.00 74.44 H new ATOM 0 HB2 ARG A 39 8.331 8.548 2.506 1.00 63.23 H new ATOM 0 HB3 ARG A 39 7.864 8.912 4.156 1.00 63.23 H new ATOM 0 HG2 ARG A 39 8.526 6.558 4.789 1.00 74.34 H new ATOM 0 HG3 ARG A 39 9.137 6.345 3.160 1.00 74.34 H new ATOM 0 HD2 ARG A 39 10.087 8.338 5.246 1.00 71.42 H new ATOM 0 HD3 ARG A 39 10.992 7.007 4.555 1.00 71.42 H new ATOM 0 HE ARG A 39 10.682 8.325 2.313 1.00 71.53 H new ATOM 0 HH11 ARG A 39 11.238 9.722 5.525 1.00 23.13 H new ATOM 0 HH12 ARG A 39 11.889 11.229 4.873 1.00 23.13 H new ATOM 0 HH21 ARG A 39 11.443 10.283 1.505 1.00 12.21 H new ATOM 0 HH22 ARG A 39 12.003 11.543 2.609 1.00 12.21 H new ATOM 626 N GLU A 40 5.448 8.061 5.263 1.00 61.44 N ATOM 627 CA GLU A 40 4.804 7.751 6.546 1.00 54.02 C ATOM 628 C GLU A 40 3.509 6.975 6.337 1.00 2.11 C ATOM 629 O GLU A 40 3.177 6.093 7.124 1.00 15.24 O ATOM 630 CB GLU A 40 4.515 9.030 7.346 1.00 31.41 C ATOM 631 CG GLU A 40 5.742 9.889 7.627 1.00 51.04 C ATOM 632 CD GLU A 40 6.899 9.100 8.203 1.00 3.14 C ATOM 633 OE1 GLU A 40 6.800 8.641 9.359 1.00 71.13 O ATOM 634 OE2 GLU A 40 7.903 8.903 7.490 1.00 21.35 O ATOM 0 H GLU A 40 5.494 9.057 5.049 1.00 61.44 H new ATOM 0 HA GLU A 40 5.498 7.132 7.114 1.00 54.02 H new ATOM 0 HB2 GLU A 40 3.785 9.628 6.800 1.00 31.41 H new ATOM 0 HB3 GLU A 40 4.055 8.754 8.295 1.00 31.41 H new ATOM 0 HG2 GLU A 40 6.062 10.369 6.702 1.00 51.04 H new ATOM 0 HG3 GLU A 40 5.470 10.684 8.321 1.00 51.04 H new ATOM 641 N LEU A 41 2.814 7.298 5.246 1.00 53.31 N ATOM 642 CA LEU A 41 1.630 6.570 4.818 1.00 62.02 C ATOM 643 C LEU A 41 1.999 5.151 4.402 1.00 71.02 C ATOM 644 O LEU A 41 1.418 4.201 4.890 1.00 64.42 O ATOM 645 CB LEU A 41 0.982 7.310 3.641 1.00 50.12 C ATOM 646 CG LEU A 41 -0.327 6.715 3.115 1.00 71.32 C ATOM 647 CD1 LEU A 41 -1.410 6.762 4.178 1.00 30.02 C ATOM 648 CD2 LEU A 41 -0.773 7.452 1.867 1.00 25.44 C ATOM 0 H LEU A 41 3.062 8.076 4.635 1.00 53.31 H new ATOM 0 HA LEU A 41 0.925 6.512 5.648 1.00 62.02 H new ATOM 0 HB2 LEU A 41 0.794 8.340 3.944 1.00 50.12 H new ATOM 0 HB3 LEU A 41 1.698 7.345 2.820 1.00 50.12 H new ATOM 0 HG LEU A 41 -0.151 5.670 2.860 1.00 71.32 H new ATOM 0 HD11 LEU A 41 -2.330 6.334 3.780 1.00 30.02 H new ATOM 0 HD12 LEU A 41 -1.090 6.189 5.049 1.00 30.02 H new ATOM 0 HD13 LEU A 41 -1.589 7.797 4.470 1.00 30.02 H new ATOM 0 HD21 LEU A 41 -1.705 7.020 1.503 1.00 25.44 H new ATOM 0 HD22 LEU A 41 -0.929 8.505 2.102 1.00 25.44 H new ATOM 0 HD23 LEU A 41 -0.006 7.362 1.098 1.00 25.44 H new ATOM 660 N ALA A 42 3.030 5.051 3.560 1.00 44.13 N ATOM 661 CA ALA A 42 3.476 3.806 2.937 1.00 0.13 C ATOM 662 C ALA A 42 3.874 2.718 3.934 1.00 60.01 C ATOM 663 O ALA A 42 3.537 1.550 3.742 1.00 10.23 O ATOM 664 CB ALA A 42 4.640 4.122 2.029 1.00 60.22 C ATOM 0 H ALA A 42 3.592 5.857 3.286 1.00 44.13 H new ATOM 0 HA ALA A 42 2.631 3.400 2.382 1.00 0.13 H new ATOM 0 HB1 ALA A 42 4.989 3.206 1.553 1.00 60.22 H new ATOM 0 HB2 ALA A 42 4.323 4.830 1.264 1.00 60.22 H new ATOM 0 HB3 ALA A 42 5.450 4.558 2.614 1.00 60.22 H new ATOM 670 N LYS A 43 4.569 3.114 5.000 1.00 13.03 N ATOM 671 CA LYS A 43 5.009 2.186 6.049 1.00 4.34 C ATOM 672 C LYS A 43 3.824 1.614 6.832 1.00 41.44 C ATOM 673 O LYS A 43 3.834 0.448 7.221 1.00 23.23 O ATOM 674 CB LYS A 43 5.982 2.888 6.998 1.00 23.53 C ATOM 675 CG LYS A 43 7.321 3.232 6.358 1.00 54.13 C ATOM 676 CD LYS A 43 8.228 3.998 7.307 1.00 73.31 C ATOM 677 CE LYS A 43 7.726 5.409 7.552 1.00 1.51 C ATOM 678 NZ LYS A 43 8.569 6.139 8.528 1.00 62.32 N ATOM 0 H LYS A 43 4.844 4.083 5.163 1.00 13.03 H new ATOM 0 HA LYS A 43 5.517 1.352 5.564 1.00 4.34 H new ATOM 0 HB2 LYS A 43 5.519 3.804 7.366 1.00 23.53 H new ATOM 0 HB3 LYS A 43 6.157 2.249 7.863 1.00 23.53 H new ATOM 0 HG2 LYS A 43 7.818 2.315 6.043 1.00 54.13 H new ATOM 0 HG3 LYS A 43 7.151 3.827 5.460 1.00 54.13 H new ATOM 0 HD2 LYS A 43 8.293 3.466 8.256 1.00 73.31 H new ATOM 0 HD3 LYS A 43 9.236 4.038 6.894 1.00 73.31 H new ATOM 0 HE2 LYS A 43 7.708 5.956 6.609 1.00 1.51 H new ATOM 0 HE3 LYS A 43 6.700 5.370 7.918 1.00 1.51 H new ATOM 0 HZ1 LYS A 43 8.604 7.146 8.272 1.00 62.32 H new ATOM 0 HZ2 LYS A 43 8.164 6.038 9.481 1.00 62.32 H new ATOM 0 HZ3 LYS A 43 9.532 5.746 8.518 1.00 62.32 H new ATOM 692 N ARG A 44 2.793 2.436 7.020 1.00 5.35 N ATOM 693 CA ARG A 44 1.577 2.024 7.725 1.00 52.03 C ATOM 694 C ARG A 44 0.691 1.139 6.843 1.00 40.42 C ATOM 695 O ARG A 44 0.058 0.212 7.345 1.00 74.01 O ATOM 696 CB ARG A 44 0.793 3.254 8.186 1.00 65.51 C ATOM 697 CG ARG A 44 1.557 4.113 9.172 1.00 43.03 C ATOM 698 CD ARG A 44 0.790 5.363 9.556 1.00 70.13 C ATOM 699 NE ARG A 44 -0.363 5.079 10.414 1.00 4.22 N ATOM 700 CZ ARG A 44 -0.960 5.990 11.189 1.00 40.31 C ATOM 701 NH1 ARG A 44 -0.554 7.253 11.174 1.00 14.40 N ATOM 702 NH2 ARG A 44 -1.970 5.639 11.967 1.00 62.44 N ATOM 0 H ARG A 44 2.775 3.401 6.691 1.00 5.35 H new ATOM 0 HA ARG A 44 1.877 1.440 8.595 1.00 52.03 H new ATOM 0 HB2 ARG A 44 0.530 3.856 7.316 1.00 65.51 H new ATOM 0 HB3 ARG A 44 -0.142 2.931 8.644 1.00 65.51 H new ATOM 0 HG2 ARG A 44 1.772 3.531 10.068 1.00 43.03 H new ATOM 0 HG3 ARG A 44 2.516 4.396 8.738 1.00 43.03 H new ATOM 0 HD2 ARG A 44 1.460 6.051 10.071 1.00 70.13 H new ATOM 0 HD3 ARG A 44 0.449 5.867 8.652 1.00 70.13 H new ATOM 0 HE ARG A 44 -0.733 4.128 10.420 1.00 4.22 H new ATOM 0 HH11 ARG A 44 0.218 7.533 10.569 1.00 14.40 H new ATOM 0 HH12 ARG A 44 -1.014 7.944 11.768 1.00 14.40 H new ATOM 0 HH21 ARG A 44 -2.294 4.672 11.976 1.00 62.44 H new ATOM 0 HH22 ARG A 44 -2.425 6.335 12.558 1.00 62.44 H new ATOM 716 N THR A 45 0.685 1.417 5.528 1.00 44.32 N ATOM 717 CA THR A 45 -0.067 0.631 4.549 1.00 61.14 C ATOM 718 C THR A 45 0.500 -0.798 4.445 1.00 5.11 C ATOM 719 O THR A 45 -0.262 -1.750 4.333 1.00 22.32 O ATOM 720 CB THR A 45 -0.047 1.299 3.146 1.00 5.34 C ATOM 721 OG1 THR A 45 -0.310 2.699 3.249 1.00 43.21 O ATOM 722 CG2 THR A 45 -1.095 0.694 2.229 1.00 13.43 C ATOM 0 H THR A 45 1.203 2.194 5.119 1.00 44.32 H new ATOM 0 HA THR A 45 -1.099 0.585 4.897 1.00 61.14 H new ATOM 0 HB THR A 45 0.946 1.129 2.731 1.00 5.34 H new ATOM 0 HG1 THR A 45 -1.115 2.842 3.789 1.00 43.21 H new ATOM 0 HG21 THR A 45 -1.054 1.184 1.256 1.00 13.43 H new ATOM 0 HG22 THR A 45 -0.900 -0.372 2.107 1.00 13.43 H new ATOM 0 HG23 THR A 45 -2.084 0.835 2.664 1.00 13.43 H new ATOM 730 N LEU A 46 1.837 -0.928 4.543 1.00 42.20 N ATOM 731 CA LEU A 46 2.528 -2.234 4.490 1.00 64.51 C ATOM 732 C LEU A 46 2.127 -3.176 5.620 1.00 53.35 C ATOM 733 O LEU A 46 2.058 -4.379 5.412 1.00 52.44 O ATOM 734 CB LEU A 46 4.045 -2.053 4.526 1.00 74.01 C ATOM 735 CG LEU A 46 4.664 -1.463 3.269 1.00 33.25 C ATOM 736 CD1 LEU A 46 6.155 -1.285 3.470 1.00 63.42 C ATOM 737 CD2 LEU A 46 4.391 -2.354 2.065 1.00 42.33 C ATOM 0 H LEU A 46 2.468 -0.135 4.661 1.00 42.20 H new ATOM 0 HA LEU A 46 2.219 -2.686 3.548 1.00 64.51 H new ATOM 0 HB2 LEU A 46 4.297 -1.411 5.370 1.00 74.01 H new ATOM 0 HB3 LEU A 46 4.505 -3.023 4.715 1.00 74.01 H new ATOM 0 HG LEU A 46 4.212 -0.490 3.077 1.00 33.25 H new ATOM 0 HD11 LEU A 46 6.596 -0.862 2.567 1.00 63.42 H new ATOM 0 HD12 LEU A 46 6.331 -0.612 4.309 1.00 63.42 H new ATOM 0 HD13 LEU A 46 6.612 -2.252 3.678 1.00 63.42 H new ATOM 0 HD21 LEU A 46 4.843 -1.913 1.176 1.00 42.33 H new ATOM 0 HD22 LEU A 46 4.820 -3.341 2.238 1.00 42.33 H new ATOM 0 HD23 LEU A 46 3.315 -2.446 1.917 1.00 42.33 H new ATOM 749 N ALA A 47 1.844 -2.622 6.804 1.00 55.21 N ATOM 750 CA ALA A 47 1.426 -3.415 7.966 1.00 45.21 C ATOM 751 C ALA A 47 0.007 -3.969 7.791 1.00 14.10 C ATOM 752 O ALA A 47 -0.371 -4.955 8.428 1.00 24.22 O ATOM 753 CB ALA A 47 1.507 -2.569 9.225 1.00 52.41 C ATOM 0 H ALA A 47 1.897 -1.619 6.984 1.00 55.21 H new ATOM 0 HA ALA A 47 2.104 -4.264 8.055 1.00 45.21 H new ATOM 0 HB1 ALA A 47 1.195 -3.164 10.084 1.00 52.41 H new ATOM 0 HB2 ALA A 47 2.533 -2.231 9.371 1.00 52.41 H new ATOM 0 HB3 ALA A 47 0.851 -1.704 9.125 1.00 52.41 H new ATOM 759 N LYS A 48 -0.768 -3.327 6.923 1.00 73.41 N ATOM 760 CA LYS A 48 -2.140 -3.721 6.647 1.00 71.14 C ATOM 761 C LYS A 48 -2.211 -4.761 5.521 1.00 63.54 C ATOM 762 O LYS A 48 -3.109 -5.599 5.512 1.00 52.44 O ATOM 763 CB LYS A 48 -2.956 -2.482 6.282 1.00 45.22 C ATOM 764 CG LYS A 48 -2.941 -1.426 7.371 1.00 24.22 C ATOM 765 CD LYS A 48 -3.411 -0.076 6.872 1.00 60.44 C ATOM 766 CE LYS A 48 -3.279 0.966 7.963 1.00 43.12 C ATOM 767 NZ LYS A 48 -3.707 2.313 7.517 1.00 43.23 N ATOM 0 H LYS A 48 -0.458 -2.515 6.390 1.00 73.41 H new ATOM 0 HA LYS A 48 -2.556 -4.183 7.542 1.00 71.14 H new ATOM 0 HB2 LYS A 48 -2.563 -2.052 5.360 1.00 45.22 H new ATOM 0 HB3 LYS A 48 -3.986 -2.777 6.082 1.00 45.22 H new ATOM 0 HG2 LYS A 48 -3.578 -1.748 8.194 1.00 24.22 H new ATOM 0 HG3 LYS A 48 -1.930 -1.332 7.768 1.00 24.22 H new ATOM 0 HD2 LYS A 48 -2.824 0.222 6.003 1.00 60.44 H new ATOM 0 HD3 LYS A 48 -4.450 -0.143 6.548 1.00 60.44 H new ATOM 0 HE2 LYS A 48 -3.877 0.665 8.823 1.00 43.12 H new ATOM 0 HE3 LYS A 48 -2.242 1.010 8.296 1.00 43.12 H new ATOM 0 HZ1 LYS A 48 -3.710 2.963 8.329 1.00 43.23 H new ATOM 0 HZ2 LYS A 48 -3.047 2.665 6.794 1.00 43.23 H new ATOM 0 HZ3 LYS A 48 -4.664 2.257 7.114 1.00 43.23 H new ATOM 781 N ILE A 49 -1.251 -4.715 4.585 1.00 41.24 N ATOM 782 CA ILE A 49 -1.261 -5.606 3.413 1.00 65.42 C ATOM 783 C ILE A 49 -0.464 -6.895 3.682 1.00 51.33 C ATOM 784 O ILE A 49 -0.726 -7.926 3.066 1.00 11.31 O ATOM 785 CB ILE A 49 -0.702 -4.895 2.142 1.00 42.21 C ATOM 786 CG1 ILE A 49 -1.334 -3.520 1.960 1.00 62.34 C ATOM 787 CG2 ILE A 49 -0.969 -5.716 0.891 1.00 33.33 C ATOM 788 CD1 ILE A 49 -0.646 -2.689 0.905 1.00 22.44 C ATOM 0 H ILE A 49 -0.460 -4.072 4.616 1.00 41.24 H new ATOM 0 HA ILE A 49 -2.302 -5.870 3.229 1.00 65.42 H new ATOM 0 HB ILE A 49 0.373 -4.789 2.287 1.00 42.21 H new ATOM 0 HG12 ILE A 49 -2.383 -3.641 1.692 1.00 62.34 H new ATOM 0 HG13 ILE A 49 -1.308 -2.986 2.910 1.00 62.34 H new ATOM 0 HG21 ILE A 49 -0.568 -5.195 0.022 1.00 33.33 H new ATOM 0 HG22 ILE A 49 -0.487 -6.689 0.985 1.00 33.33 H new ATOM 0 HG23 ILE A 49 -2.043 -5.853 0.768 1.00 33.33 H new ATOM 0 HD11 ILE A 49 -1.142 -1.722 0.823 1.00 22.44 H new ATOM 0 HD12 ILE A 49 0.397 -2.539 1.183 1.00 22.44 H new ATOM 0 HD13 ILE A 49 -0.695 -3.205 -0.054 1.00 22.44 H new ATOM 800 N ALA A 50 0.496 -6.832 4.620 1.00 55.10 N ATOM 801 CA ALA A 50 1.304 -7.999 5.029 1.00 25.33 C ATOM 802 C ALA A 50 0.476 -9.248 5.450 1.00 23.23 C ATOM 803 O ALA A 50 0.806 -10.346 4.993 1.00 73.53 O ATOM 804 CB ALA A 50 2.292 -7.615 6.131 1.00 70.45 C ATOM 0 H ALA A 50 0.735 -5.974 5.117 1.00 55.10 H new ATOM 0 HA ALA A 50 1.847 -8.299 4.133 1.00 25.33 H new ATOM 0 HB1 ALA A 50 2.876 -8.490 6.417 1.00 70.45 H new ATOM 0 HB2 ALA A 50 2.960 -6.836 5.765 1.00 70.45 H new ATOM 0 HB3 ALA A 50 1.744 -7.246 6.998 1.00 70.45 H new ATOM 810 N PRO A 51 -0.601 -9.142 6.306 1.00 4.43 N ATOM 811 CA PRO A 51 -1.433 -10.313 6.654 1.00 74.43 C ATOM 812 C PRO A 51 -2.487 -10.692 5.597 1.00 0.50 C ATOM 813 O PRO A 51 -3.283 -11.612 5.816 1.00 32.41 O ATOM 814 CB PRO A 51 -2.126 -9.864 7.935 1.00 0.05 C ATOM 815 CG PRO A 51 -2.295 -8.405 7.762 1.00 40.53 C ATOM 816 CD PRO A 51 -1.054 -7.943 7.065 1.00 11.13 C ATOM 0 HA PRO A 51 -0.819 -11.209 6.741 1.00 74.43 H new ATOM 0 HB2 PRO A 51 -3.086 -10.364 8.065 1.00 0.05 H new ATOM 0 HB3 PRO A 51 -1.525 -10.094 8.815 1.00 0.05 H new ATOM 0 HG2 PRO A 51 -3.184 -8.179 7.173 1.00 40.53 H new ATOM 0 HG3 PRO A 51 -2.415 -7.906 8.724 1.00 40.53 H new ATOM 0 HD2 PRO A 51 -1.258 -7.103 6.401 1.00 11.13 H new ATOM 0 HD3 PRO A 51 -0.297 -7.611 7.775 1.00 11.13 H new ATOM 824 N LEU A 52 -2.491 -9.993 4.462 1.00 2.35 N ATOM 825 CA LEU A 52 -3.408 -10.305 3.373 1.00 52.25 C ATOM 826 C LEU A 52 -2.772 -11.333 2.456 1.00 22.04 C ATOM 827 O LEU A 52 -1.587 -11.648 2.583 1.00 33.33 O ATOM 828 CB LEU A 52 -3.760 -9.053 2.550 1.00 74.12 C ATOM 829 CG LEU A 52 -4.365 -7.876 3.316 1.00 2.45 C ATOM 830 CD1 LEU A 52 -4.627 -6.725 2.362 1.00 11.21 C ATOM 831 CD2 LEU A 52 -5.647 -8.279 4.028 1.00 50.00 C ATOM 0 H LEU A 52 -1.868 -9.207 4.276 1.00 2.35 H new ATOM 0 HA LEU A 52 -4.326 -10.697 3.812 1.00 52.25 H new ATOM 0 HB2 LEU A 52 -2.854 -8.706 2.053 1.00 74.12 H new ATOM 0 HB3 LEU A 52 -4.460 -9.346 1.768 1.00 74.12 H new ATOM 0 HG LEU A 52 -3.652 -7.558 4.077 1.00 2.45 H new ATOM 0 HD11 LEU A 52 -5.058 -5.888 2.911 1.00 11.21 H new ATOM 0 HD12 LEU A 52 -3.689 -6.413 1.902 1.00 11.21 H new ATOM 0 HD13 LEU A 52 -5.322 -7.046 1.586 1.00 11.21 H new ATOM 0 HD21 LEU A 52 -6.052 -7.420 4.563 1.00 50.00 H new ATOM 0 HD22 LEU A 52 -6.376 -8.627 3.296 1.00 50.00 H new ATOM 0 HD23 LEU A 52 -5.434 -9.080 4.736 1.00 50.00 H new ATOM 843 N THR A 53 -3.562 -11.880 1.551 1.00 22.42 N ATOM 844 CA THR A 53 -3.034 -12.775 0.538 1.00 40.31 C ATOM 845 C THR A 53 -2.933 -12.056 -0.803 1.00 73.51 C ATOM 846 O THR A 53 -3.373 -10.906 -0.938 1.00 33.23 O ATOM 847 CB THR A 53 -3.900 -14.048 0.391 1.00 43.11 C ATOM 848 OG1 THR A 53 -5.239 -13.703 0.036 1.00 71.14 O ATOM 849 CG2 THR A 53 -3.913 -14.859 1.678 1.00 23.13 C ATOM 0 H THR A 53 -4.568 -11.721 1.496 1.00 22.42 H new ATOM 0 HA THR A 53 -2.039 -13.083 0.859 1.00 40.31 H new ATOM 0 HB THR A 53 -3.459 -14.655 -0.399 1.00 43.11 H new ATOM 0 HG1 THR A 53 -5.774 -14.519 -0.055 1.00 71.14 H new ATOM 0 HG21 THR A 53 -4.530 -15.747 1.542 1.00 23.13 H new ATOM 0 HG22 THR A 53 -2.896 -15.159 1.929 1.00 23.13 H new ATOM 0 HG23 THR A 53 -4.322 -14.253 2.486 1.00 23.13 H new ATOM 857 N GLU A 54 -2.351 -12.738 -1.785 1.00 2.31 N ATOM 858 CA GLU A 54 -2.257 -12.235 -3.157 1.00 64.10 C ATOM 859 C GLU A 54 -3.653 -12.132 -3.791 1.00 43.34 C ATOM 860 O GLU A 54 -3.943 -11.181 -4.519 1.00 74.43 O ATOM 861 CB GLU A 54 -1.337 -13.166 -3.977 1.00 50.52 C ATOM 862 CG GLU A 54 -1.143 -12.784 -5.443 1.00 14.54 C ATOM 863 CD GLU A 54 -0.425 -11.464 -5.653 1.00 54.30 C ATOM 864 OE1 GLU A 54 0.205 -10.942 -4.711 1.00 24.15 O ATOM 865 OE2 GLU A 54 -0.488 -10.943 -6.778 1.00 0.42 O ATOM 0 H GLU A 54 -1.929 -13.658 -1.654 1.00 2.31 H new ATOM 0 HA GLU A 54 -1.827 -11.233 -3.150 1.00 64.10 H new ATOM 0 HB2 GLU A 54 -0.359 -13.195 -3.496 1.00 50.52 H new ATOM 0 HB3 GLU A 54 -1.743 -14.177 -3.935 1.00 50.52 H new ATOM 0 HG2 GLU A 54 -0.581 -13.574 -5.941 1.00 14.54 H new ATOM 0 HG3 GLU A 54 -2.119 -12.735 -5.926 1.00 14.54 H new ATOM 872 N ASN A 55 -4.518 -13.095 -3.455 1.00 1.24 N ATOM 873 CA ASN A 55 -5.899 -13.120 -3.939 1.00 21.22 C ATOM 874 C ASN A 55 -6.763 -12.074 -3.244 1.00 65.20 C ATOM 875 O ASN A 55 -7.653 -11.531 -3.869 1.00 12.32 O ATOM 876 CB ASN A 55 -6.539 -14.504 -3.764 1.00 23.31 C ATOM 877 CG ASN A 55 -5.947 -15.563 -4.675 1.00 14.35 C ATOM 878 OD1 ASN A 55 -6.375 -15.738 -5.812 1.00 21.23 O ATOM 879 ND2 ASN A 55 -4.976 -16.300 -4.169 1.00 3.53 N ATOM 0 H ASN A 55 -4.280 -13.875 -2.842 1.00 1.24 H new ATOM 0 HA ASN A 55 -5.852 -12.886 -5.002 1.00 21.22 H new ATOM 0 HB2 ASN A 55 -6.423 -14.821 -2.728 1.00 23.31 H new ATOM 0 HB3 ASN A 55 -7.609 -14.428 -3.956 1.00 23.31 H new ATOM 0 HD21 ASN A 55 -4.556 -17.043 -4.727 1.00 3.53 H new ATOM 0 HD22 ASN A 55 -4.645 -16.126 -3.220 1.00 3.53 H new ATOM 886 N GLU A 56 -6.476 -11.781 -1.965 1.00 52.34 N ATOM 887 CA GLU A 56 -7.240 -10.789 -1.180 1.00 72.15 C ATOM 888 C GLU A 56 -7.069 -9.368 -1.737 1.00 30.42 C ATOM 889 O GLU A 56 -8.017 -8.580 -1.754 1.00 1.43 O ATOM 890 CB GLU A 56 -6.798 -10.838 0.293 1.00 44.24 C ATOM 891 CG GLU A 56 -7.517 -9.867 1.225 1.00 24.41 C ATOM 892 CD GLU A 56 -8.985 -10.190 1.450 1.00 75.22 C ATOM 893 OE1 GLU A 56 -9.818 -9.871 0.577 1.00 13.42 O ATOM 894 OE2 GLU A 56 -9.316 -10.744 2.515 1.00 32.42 O ATOM 0 H GLU A 56 -5.715 -12.219 -1.447 1.00 52.34 H new ATOM 0 HA GLU A 56 -8.297 -11.045 -1.253 1.00 72.15 H new ATOM 0 HB2 GLU A 56 -6.948 -11.851 0.666 1.00 44.24 H new ATOM 0 HB3 GLU A 56 -5.728 -10.636 0.340 1.00 44.24 H new ATOM 0 HG2 GLU A 56 -7.006 -9.860 2.188 1.00 24.41 H new ATOM 0 HG3 GLU A 56 -7.437 -8.860 0.815 1.00 24.41 H new ATOM 901 N TYR A 57 -5.861 -9.057 -2.207 1.00 31.44 N ATOM 902 CA TYR A 57 -5.587 -7.768 -2.830 1.00 12.40 C ATOM 903 C TYR A 57 -6.291 -7.663 -4.187 1.00 24.14 C ATOM 904 O TYR A 57 -6.720 -6.588 -4.583 1.00 53.33 O ATOM 905 CB TYR A 57 -4.081 -7.576 -3.006 1.00 51.30 C ATOM 906 CG TYR A 57 -3.671 -6.166 -3.386 1.00 51.35 C ATOM 907 CD1 TYR A 57 -3.451 -5.202 -2.411 1.00 30.23 C ATOM 908 CD2 TYR A 57 -3.515 -5.800 -4.719 1.00 42.34 C ATOM 909 CE1 TYR A 57 -3.097 -3.917 -2.758 1.00 3.04 C ATOM 910 CE2 TYR A 57 -3.159 -4.520 -5.071 1.00 0.44 C ATOM 911 CZ TYR A 57 -2.952 -3.582 -4.087 1.00 10.52 C ATOM 912 OH TYR A 57 -2.605 -2.304 -4.432 1.00 42.14 O ATOM 0 H TYR A 57 -5.057 -9.683 -2.167 1.00 31.44 H new ATOM 0 HA TYR A 57 -5.971 -6.983 -2.178 1.00 12.40 H new ATOM 0 HB2 TYR A 57 -3.581 -7.849 -2.077 1.00 51.30 H new ATOM 0 HB3 TYR A 57 -3.726 -8.264 -3.773 1.00 51.30 H new ATOM 0 HD1 TYR A 57 -3.559 -5.463 -1.369 1.00 30.23 H new ATOM 0 HD2 TYR A 57 -3.677 -6.536 -5.493 1.00 42.34 H new ATOM 0 HE1 TYR A 57 -2.934 -3.174 -1.991 1.00 3.04 H new ATOM 0 HE2 TYR A 57 -3.043 -4.253 -6.111 1.00 0.44 H new ATOM 0 HH TYR A 57 -2.111 -2.316 -5.279 1.00 42.14 H new ATOM 922 N ALA A 58 -6.414 -8.798 -4.879 1.00 63.21 N ATOM 923 CA ALA A 58 -7.087 -8.856 -6.176 1.00 32.43 C ATOM 924 C ALA A 58 -8.613 -8.779 -6.039 1.00 50.14 C ATOM 925 O ALA A 58 -9.299 -8.391 -6.988 1.00 12.02 O ATOM 926 CB ALA A 58 -6.667 -10.111 -6.919 1.00 3.12 C ATOM 0 H ALA A 58 -6.052 -9.696 -4.558 1.00 63.21 H new ATOM 0 HA ALA A 58 -6.782 -7.983 -6.753 1.00 32.43 H new ATOM 0 HB1 ALA A 58 -7.172 -10.148 -7.884 1.00 3.12 H new ATOM 0 HB2 ALA A 58 -5.588 -10.098 -7.074 1.00 3.12 H new ATOM 0 HB3 ALA A 58 -6.939 -10.989 -6.333 1.00 3.12 H new ATOM 932 N GLU A 59 -9.136 -9.143 -4.855 1.00 44.50 N ATOM 933 CA GLU A 59 -10.557 -8.952 -4.537 1.00 41.14 C ATOM 934 C GLU A 59 -10.865 -7.464 -4.420 1.00 43.42 C ATOM 935 O GLU A 59 -11.917 -7.008 -4.859 1.00 65.34 O ATOM 936 CB GLU A 59 -10.954 -9.633 -3.216 1.00 40.41 C ATOM 937 CG GLU A 59 -10.682 -11.128 -3.141 1.00 54.34 C ATOM 938 CD GLU A 59 -11.363 -11.924 -4.230 1.00 4.21 C ATOM 939 OE1 GLU A 59 -12.532 -12.308 -4.052 1.00 22.21 O ATOM 940 OE2 GLU A 59 -10.732 -12.175 -5.266 1.00 42.23 O ATOM 0 H GLU A 59 -8.594 -9.571 -4.104 1.00 44.50 H new ATOM 0 HA GLU A 59 -11.128 -9.406 -5.346 1.00 41.14 H new ATOM 0 HB2 GLU A 59 -10.421 -9.143 -2.401 1.00 40.41 H new ATOM 0 HB3 GLU A 59 -12.018 -9.466 -3.047 1.00 40.41 H new ATOM 0 HG2 GLU A 59 -9.607 -11.296 -3.199 1.00 54.34 H new ATOM 0 HG3 GLU A 59 -11.011 -11.500 -2.171 1.00 54.34 H new ATOM 947 N LEU A 60 -9.925 -6.727 -3.825 1.00 32.35 N ATOM 948 CA LEU A 60 -10.041 -5.283 -3.663 1.00 35.35 C ATOM 949 C LEU A 60 -9.872 -4.575 -5.007 1.00 31.35 C ATOM 950 O LEU A 60 -10.750 -3.824 -5.421 1.00 4.41 O ATOM 951 CB LEU A 60 -8.991 -4.770 -2.662 1.00 53.21 C ATOM 952 CG LEU A 60 -9.057 -5.373 -1.252 1.00 53.54 C ATOM 953 CD1 LEU A 60 -7.857 -4.923 -0.438 1.00 61.43 C ATOM 954 CD2 LEU A 60 -10.343 -4.960 -0.552 1.00 15.54 C ATOM 0 H LEU A 60 -9.064 -7.118 -3.443 1.00 32.35 H new ATOM 0 HA LEU A 60 -11.036 -5.062 -3.276 1.00 35.35 H new ATOM 0 HB2 LEU A 60 -8.000 -4.964 -3.073 1.00 53.21 H new ATOM 0 HB3 LEU A 60 -9.095 -3.688 -2.579 1.00 53.21 H new ATOM 0 HG LEU A 60 -9.043 -6.459 -1.340 1.00 53.54 H new ATOM 0 HD11 LEU A 60 -7.912 -5.356 0.561 1.00 61.43 H new ATOM 0 HD12 LEU A 60 -6.941 -5.254 -0.927 1.00 61.43 H new ATOM 0 HD13 LEU A 60 -7.855 -3.836 -0.363 1.00 61.43 H new ATOM 0 HD21 LEU A 60 -10.371 -5.398 0.446 1.00 15.54 H new ATOM 0 HD22 LEU A 60 -10.382 -3.874 -0.473 1.00 15.54 H new ATOM 0 HD23 LEU A 60 -11.199 -5.313 -1.127 1.00 15.54 H new ATOM 966 N ALA A 61 -8.715 -4.829 -5.656 1.00 15.15 N ATOM 967 CA ALA A 61 -8.326 -4.256 -6.964 1.00 1.35 C ATOM 968 C ALA A 61 -8.266 -2.721 -6.947 1.00 73.15 C ATOM 969 O ALA A 61 -8.245 -2.090 -8.011 1.00 42.54 O ATOM 970 CB ALA A 61 -9.256 -4.755 -8.072 1.00 64.15 C ATOM 0 H ALA A 61 -8.006 -5.455 -5.274 1.00 15.15 H new ATOM 0 HA ALA A 61 -7.314 -4.604 -7.172 1.00 1.35 H new ATOM 0 HB1 ALA A 61 -8.952 -4.322 -9.025 1.00 64.15 H new ATOM 0 HB2 ALA A 61 -9.199 -5.842 -8.133 1.00 64.15 H new ATOM 0 HB3 ALA A 61 -10.281 -4.458 -7.848 1.00 64.15 H new ATOM 976 N ILE A 62 -8.140 -2.150 -5.728 1.00 31.03 N ATOM 977 CA ILE A 62 -8.328 -0.718 -5.449 1.00 23.34 C ATOM 978 C ILE A 62 -9.734 -0.269 -5.906 1.00 42.44 C ATOM 979 O ILE A 62 -9.940 0.136 -7.055 1.00 72.11 O ATOM 980 CB ILE A 62 -7.210 0.211 -6.046 1.00 24.51 C ATOM 981 CG1 ILE A 62 -5.813 -0.172 -5.526 1.00 14.35 C ATOM 982 CG2 ILE A 62 -7.471 1.675 -5.710 1.00 41.45 C ATOM 983 CD1 ILE A 62 -5.055 -1.137 -6.415 1.00 24.34 C ATOM 0 H ILE A 62 -7.899 -2.688 -4.896 1.00 31.03 H new ATOM 0 HA ILE A 62 -8.240 -0.604 -4.369 1.00 23.34 H new ATOM 0 HB ILE A 62 -7.239 0.072 -7.127 1.00 24.51 H new ATOM 0 HG12 ILE A 62 -5.221 0.736 -5.409 1.00 14.35 H new ATOM 0 HG13 ILE A 62 -5.917 -0.615 -4.535 1.00 14.35 H new ATOM 0 HG21 ILE A 62 -6.681 2.293 -6.137 1.00 41.45 H new ATOM 0 HG22 ILE A 62 -8.432 1.978 -6.125 1.00 41.45 H new ATOM 0 HG23 ILE A 62 -7.487 1.803 -4.628 1.00 41.45 H new ATOM 0 HD11 ILE A 62 -4.082 -1.352 -5.973 1.00 24.34 H new ATOM 0 HD12 ILE A 62 -5.622 -2.063 -6.513 1.00 24.34 H new ATOM 0 HD13 ILE A 62 -4.915 -0.691 -7.400 1.00 24.34 H new ATOM 995 N PHE A 63 -10.702 -0.404 -4.998 1.00 71.55 N ATOM 996 CA PHE A 63 -12.082 0.032 -5.257 1.00 12.23 C ATOM 997 C PHE A 63 -12.176 1.548 -5.348 1.00 21.50 C ATOM 998 O PHE A 63 -12.853 2.085 -6.221 1.00 33.34 O ATOM 999 CB PHE A 63 -13.038 -0.429 -4.150 1.00 35.01 C ATOM 1000 CG PHE A 63 -13.316 -1.903 -4.102 1.00 73.23 C ATOM 1001 CD1 PHE A 63 -13.970 -2.543 -5.147 1.00 62.35 C ATOM 1002 CD2 PHE A 63 -12.951 -2.642 -2.994 1.00 13.44 C ATOM 1003 CE1 PHE A 63 -14.246 -3.894 -5.082 1.00 22.02 C ATOM 1004 CE2 PHE A 63 -13.231 -3.989 -2.923 1.00 15.33 C ATOM 1005 CZ PHE A 63 -13.878 -4.616 -3.967 1.00 60.31 C ATOM 0 H PHE A 63 -10.559 -0.812 -4.074 1.00 71.55 H new ATOM 0 HA PHE A 63 -12.369 -0.420 -6.206 1.00 12.23 H new ATOM 0 HB2 PHE A 63 -12.625 -0.124 -3.188 1.00 35.01 H new ATOM 0 HB3 PHE A 63 -13.985 0.097 -4.271 1.00 35.01 H new ATOM 0 HD1 PHE A 63 -14.265 -1.978 -6.019 1.00 62.35 H new ATOM 0 HD2 PHE A 63 -12.440 -2.159 -2.174 1.00 13.44 H new ATOM 0 HE1 PHE A 63 -14.749 -4.384 -5.903 1.00 22.02 H new ATOM 0 HE2 PHE A 63 -12.944 -4.554 -2.049 1.00 15.33 H new ATOM 0 HZ PHE A 63 -14.096 -5.672 -3.911 1.00 60.31 H new ATOM 1015 N ALA A 64 -11.476 2.223 -4.450 1.00 33.14 N ATOM 1016 CA ALA A 64 -11.600 3.655 -4.296 1.00 12.41 C ATOM 1017 C ALA A 64 -10.271 4.362 -4.483 1.00 14.55 C ATOM 1018 O ALA A 64 -9.377 4.252 -3.653 1.00 51.44 O ATOM 1019 CB ALA A 64 -12.162 3.952 -2.928 1.00 13.12 C ATOM 0 H ALA A 64 -10.809 1.791 -3.811 1.00 33.14 H new ATOM 0 HA ALA A 64 -12.272 4.029 -5.068 1.00 12.41 H new ATOM 0 HB1 ALA A 64 -12.260 5.030 -2.801 1.00 13.12 H new ATOM 0 HB2 ALA A 64 -13.142 3.485 -2.828 1.00 13.12 H new ATOM 0 HB3 ALA A 64 -11.491 3.556 -2.165 1.00 13.12 H new ATOM 1025 N ALA A 65 -10.134 5.032 -5.610 1.00 61.42 N ATOM 1026 CA ALA A 65 -9.021 5.938 -5.850 1.00 63.23 C ATOM 1027 C ALA A 65 -9.496 7.144 -6.645 1.00 0.21 C ATOM 1028 O ALA A 65 -8.730 8.071 -6.897 1.00 54.54 O ATOM 1029 CB ALA A 65 -7.900 5.228 -6.595 1.00 3.22 C ATOM 0 H ALA A 65 -10.790 4.966 -6.388 1.00 61.42 H new ATOM 0 HA ALA A 65 -8.634 6.274 -4.888 1.00 63.23 H new ATOM 0 HB1 ALA A 65 -7.078 5.924 -6.764 1.00 3.22 H new ATOM 0 HB2 ALA A 65 -7.546 4.385 -6.002 1.00 3.22 H new ATOM 0 HB3 ALA A 65 -8.272 4.866 -7.554 1.00 3.22 H new ATOM 1035 N ASP A 66 -10.784 7.137 -6.995 1.00 44.14 N ATOM 1036 CA ASP A 66 -11.334 8.096 -7.948 1.00 11.43 C ATOM 1037 C ASP A 66 -12.076 9.235 -7.244 1.00 40.51 C ATOM 1038 O ASP A 66 -12.049 10.374 -7.705 1.00 11.12 O ATOM 1039 CB ASP A 66 -12.252 7.358 -8.937 1.00 10.55 C ATOM 1040 CG ASP A 66 -12.907 8.257 -9.970 1.00 23.31 C ATOM 1041 OD1 ASP A 66 -12.241 8.634 -10.952 1.00 62.23 O ATOM 1042 OD2 ASP A 66 -14.103 8.576 -9.813 1.00 34.33 O ATOM 0 H ASP A 66 -11.466 6.473 -6.629 1.00 44.14 H new ATOM 0 HA ASP A 66 -10.511 8.555 -8.496 1.00 11.43 H new ATOM 0 HB2 ASP A 66 -11.671 6.594 -9.453 1.00 10.55 H new ATOM 0 HB3 ASP A 66 -13.031 6.841 -8.376 1.00 10.55 H new ATOM 1047 N GLU A 67 -12.696 8.940 -6.113 1.00 35.44 N ATOM 1048 CA GLU A 67 -13.454 9.945 -5.361 1.00 24.15 C ATOM 1049 C GLU A 67 -12.539 10.862 -4.539 1.00 12.21 C ATOM 1050 O GLU A 67 -12.946 11.954 -4.145 1.00 15.22 O ATOM 1051 CB GLU A 67 -14.544 9.297 -4.476 1.00 73.43 C ATOM 1052 CG GLU A 67 -14.269 7.871 -3.984 1.00 12.42 C ATOM 1053 CD GLU A 67 -13.039 7.748 -3.115 1.00 34.11 C ATOM 1054 OE1 GLU A 67 -13.132 8.028 -1.903 1.00 62.03 O ATOM 1055 OE2 GLU A 67 -11.973 7.397 -3.661 1.00 53.43 O ATOM 0 H GLU A 67 -12.693 8.012 -5.689 1.00 35.44 H new ATOM 0 HA GLU A 67 -13.959 10.571 -6.097 1.00 24.15 H new ATOM 0 HB2 GLU A 67 -14.699 9.934 -3.605 1.00 73.43 H new ATOM 0 HB3 GLU A 67 -15.479 9.290 -5.037 1.00 73.43 H new ATOM 0 HG2 GLU A 67 -15.134 7.518 -3.423 1.00 12.42 H new ATOM 0 HG3 GLU A 67 -14.159 7.215 -4.847 1.00 12.42 H new ATOM 1062 N VAL A 68 -11.298 10.426 -4.307 1.00 20.31 N ATOM 1063 CA VAL A 68 -10.285 11.278 -3.677 1.00 54.43 C ATOM 1064 C VAL A 68 -9.536 12.131 -4.709 1.00 73.54 C ATOM 1065 O VAL A 68 -8.637 12.896 -4.360 1.00 50.55 O ATOM 1066 CB VAL A 68 -9.274 10.481 -2.815 1.00 14.33 C ATOM 1067 CG1 VAL A 68 -9.916 10.075 -1.501 1.00 11.12 C ATOM 1068 CG2 VAL A 68 -8.754 9.258 -3.556 1.00 75.10 C ATOM 0 H VAL A 68 -10.971 9.490 -4.545 1.00 20.31 H new ATOM 0 HA VAL A 68 -10.836 11.939 -3.008 1.00 54.43 H new ATOM 0 HB VAL A 68 -8.421 11.128 -2.609 1.00 14.33 H new ATOM 0 HG11 VAL A 68 -9.197 9.515 -0.902 1.00 11.12 H new ATOM 0 HG12 VAL A 68 -10.225 10.967 -0.956 1.00 11.12 H new ATOM 0 HG13 VAL A 68 -10.787 9.451 -1.699 1.00 11.12 H new ATOM 0 HG21 VAL A 68 -8.047 8.722 -2.923 1.00 75.10 H new ATOM 0 HG22 VAL A 68 -9.588 8.602 -3.805 1.00 75.10 H new ATOM 0 HG23 VAL A 68 -8.254 9.573 -4.472 1.00 75.10 H new ATOM 1078 N LEU A 69 -9.942 12.015 -5.978 1.00 75.41 N ATOM 1079 CA LEU A 69 -9.422 12.874 -7.040 1.00 3.42 C ATOM 1080 C LEU A 69 -10.307 14.113 -7.216 1.00 42.42 C ATOM 1081 O LEU A 69 -10.091 14.914 -8.121 1.00 33.33 O ATOM 1082 CB LEU A 69 -9.315 12.101 -8.359 1.00 34.23 C ATOM 1083 CG LEU A 69 -8.394 10.880 -8.329 1.00 44.14 C ATOM 1084 CD1 LEU A 69 -8.471 10.119 -9.640 1.00 70.54 C ATOM 1085 CD2 LEU A 69 -6.954 11.280 -8.032 1.00 73.43 C ATOM 0 H LEU A 69 -10.631 11.332 -6.292 1.00 75.41 H new ATOM 0 HA LEU A 69 -8.423 13.202 -6.752 1.00 3.42 H new ATOM 0 HB2 LEU A 69 -10.313 11.775 -8.652 1.00 34.23 H new ATOM 0 HB3 LEU A 69 -8.962 12.783 -9.133 1.00 34.23 H new ATOM 0 HG LEU A 69 -8.735 10.227 -7.526 1.00 44.14 H new ATOM 0 HD11 LEU A 69 -7.809 9.254 -9.598 1.00 70.54 H new ATOM 0 HD12 LEU A 69 -9.495 9.784 -9.807 1.00 70.54 H new ATOM 0 HD13 LEU A 69 -8.165 10.771 -10.458 1.00 70.54 H new ATOM 0 HD21 LEU A 69 -6.325 10.390 -8.018 1.00 73.43 H new ATOM 0 HD22 LEU A 69 -6.599 11.963 -8.804 1.00 73.43 H new ATOM 0 HD23 LEU A 69 -6.906 11.774 -7.061 1.00 73.43 H new ATOM 1097 N GLU A 70 -11.306 14.249 -6.336 1.00 35.51 N ATOM 1098 CA GLU A 70 -12.124 15.460 -6.227 1.00 23.42 C ATOM 1099 C GLU A 70 -11.284 16.597 -5.619 1.00 2.20 C ATOM 1100 O GLU A 70 -11.462 17.773 -5.956 1.00 75.55 O ATOM 1101 CB GLU A 70 -13.357 15.148 -5.357 1.00 60.31 C ATOM 1102 CG GLU A 70 -14.292 16.325 -5.080 1.00 72.23 C ATOM 1103 CD GLU A 70 -14.984 16.859 -6.321 1.00 34.33 C ATOM 1104 OE1 GLU A 70 -15.936 16.216 -6.798 1.00 43.11 O ATOM 1105 OE2 GLU A 70 -14.593 17.929 -6.811 1.00 54.23 O ATOM 0 H GLU A 70 -11.570 13.517 -5.676 1.00 35.51 H new ATOM 0 HA GLU A 70 -12.462 15.783 -7.212 1.00 23.42 H new ATOM 0 HB2 GLU A 70 -13.931 14.359 -5.843 1.00 60.31 H new ATOM 0 HB3 GLU A 70 -13.013 14.749 -4.403 1.00 60.31 H new ATOM 0 HG2 GLU A 70 -15.048 16.015 -4.358 1.00 72.23 H new ATOM 0 HG3 GLU A 70 -13.721 17.130 -4.618 1.00 72.23 H new ATOM 1112 N HIS A 71 -10.354 16.203 -4.735 1.00 60.34 N ATOM 1113 CA HIS A 71 -9.365 17.095 -4.130 1.00 75.11 C ATOM 1114 C HIS A 71 -8.501 17.750 -5.217 1.00 21.30 C ATOM 1115 O HIS A 71 -7.877 17.057 -6.031 1.00 5.22 O ATOM 1116 CB HIS A 71 -8.493 16.278 -3.158 1.00 75.34 C ATOM 1117 CG HIS A 71 -7.555 17.076 -2.298 1.00 40.00 C ATOM 1118 ND1 HIS A 71 -7.929 17.622 -1.094 1.00 42.55 N ATOM 1119 CD2 HIS A 71 -6.253 17.409 -2.471 1.00 3.42 C ATOM 1120 CE1 HIS A 71 -6.908 18.257 -0.562 1.00 54.25 C ATOM 1121 NE2 HIS A 71 -5.878 18.141 -1.379 1.00 12.44 N ATOM 0 H HIS A 71 -10.271 15.237 -4.418 1.00 60.34 H new ATOM 0 HA HIS A 71 -9.870 17.891 -3.583 1.00 75.11 H new ATOM 0 HB2 HIS A 71 -9.150 15.700 -2.508 1.00 75.34 H new ATOM 0 HB3 HIS A 71 -7.907 15.564 -3.737 1.00 75.34 H new ATOM 0 HD2 HIS A 71 -5.629 17.146 -3.313 1.00 3.42 H new ATOM 0 HE1 HIS A 71 -6.912 18.783 0.381 1.00 54.25 H new ATOM 0 HE2 HIS A 71 -4.950 18.535 -1.221 1.00 12.44 H new ATOM 1130 N HIS A 72 -8.494 19.082 -5.220 1.00 12.25 N ATOM 1131 CA HIS A 72 -7.719 19.863 -6.187 1.00 51.44 C ATOM 1132 C HIS A 72 -6.243 19.838 -5.821 1.00 35.01 C ATOM 1133 O HIS A 72 -5.910 19.837 -4.629 1.00 23.31 O ATOM 1134 CB HIS A 72 -8.212 21.319 -6.251 1.00 40.44 C ATOM 1135 CG HIS A 72 -9.613 21.493 -6.771 1.00 23.43 C ATOM 1136 ND1 HIS A 72 -10.532 22.342 -6.193 1.00 11.13 N ATOM 1137 CD2 HIS A 72 -10.246 20.927 -7.824 1.00 12.10 C ATOM 1138 CE1 HIS A 72 -11.665 22.291 -6.867 1.00 0.33 C ATOM 1139 NE2 HIS A 72 -11.518 21.442 -7.859 1.00 2.22 N ATOM 0 H HIS A 72 -9.022 19.649 -4.557 1.00 12.25 H new ATOM 0 HA HIS A 72 -7.857 19.410 -7.169 1.00 51.44 H new ATOM 0 HB2 HIS A 72 -8.155 21.750 -5.252 1.00 40.44 H new ATOM 0 HB3 HIS A 72 -7.532 21.890 -6.884 1.00 40.44 H new ATOM 0 HD2 HIS A 72 -9.828 20.204 -8.510 1.00 12.10 H new ATOM 0 HE1 HIS A 72 -12.560 22.851 -6.642 1.00 0.33 H new ATOM 0 HE2 HIS A 72 -12.234 21.204 -8.545 1.00 2.22 H new ATOM 1148 N HIS A 73 -5.391 19.826 -6.863 1.00 1.41 N ATOM 1149 CA HIS A 73 -3.914 19.691 -6.762 1.00 75.04 C ATOM 1150 C HIS A 73 -3.516 18.265 -6.380 1.00 60.31 C ATOM 1151 O HIS A 73 -3.832 17.772 -5.292 1.00 53.24 O ATOM 1152 CB HIS A 73 -3.256 20.697 -5.796 1.00 10.43 C ATOM 1153 CG HIS A 73 -3.447 22.136 -6.163 1.00 2.14 C ATOM 1154 ND1 HIS A 73 -4.226 23.001 -5.432 1.00 64.35 N ATOM 1155 CD2 HIS A 73 -2.942 22.864 -7.182 1.00 12.33 C ATOM 1156 CE1 HIS A 73 -4.195 24.196 -5.986 1.00 10.00 C ATOM 1157 NE2 HIS A 73 -3.418 24.143 -7.048 1.00 72.32 N ATOM 0 H HIS A 73 -5.713 19.912 -7.827 1.00 1.41 H new ATOM 0 HA HIS A 73 -3.536 19.924 -7.758 1.00 75.04 H new ATOM 0 HB2 HIS A 73 -3.658 20.535 -4.796 1.00 10.43 H new ATOM 0 HB3 HIS A 73 -2.187 20.488 -5.748 1.00 10.43 H new ATOM 0 HD2 HIS A 73 -2.284 22.505 -7.960 1.00 12.33 H new ATOM 0 HE1 HIS A 73 -4.718 25.071 -5.630 1.00 10.00 H new ATOM 0 HE2 HIS A 73 -3.205 24.924 -7.668 1.00 72.32 H new ATOM 1166 N HIS A 74 -2.821 17.605 -7.298 1.00 13.13 N ATOM 1167 CA HIS A 74 -2.342 16.242 -7.078 1.00 52.10 C ATOM 1168 C HIS A 74 -0.955 16.253 -6.443 1.00 31.32 C ATOM 1169 O HIS A 74 -0.356 17.307 -6.239 1.00 73.53 O ATOM 1170 CB HIS A 74 -2.286 15.451 -8.390 1.00 5.32 C ATOM 1171 CG HIS A 74 -3.617 15.098 -8.994 1.00 40.43 C ATOM 1172 ND1 HIS A 74 -3.820 15.018 -10.352 1.00 33.13 N ATOM 1173 CD2 HIS A 74 -4.806 14.782 -8.424 1.00 41.45 C ATOM 1174 CE1 HIS A 74 -5.066 14.665 -10.595 1.00 62.24 C ATOM 1175 NE2 HIS A 74 -5.688 14.517 -9.442 1.00 31.31 N ATOM 0 H HIS A 74 -2.574 17.993 -8.208 1.00 13.13 H new ATOM 0 HA HIS A 74 -3.048 15.758 -6.404 1.00 52.10 H new ATOM 0 HB2 HIS A 74 -1.719 16.030 -9.119 1.00 5.32 H new ATOM 0 HB3 HIS A 74 -1.731 14.529 -8.214 1.00 5.32 H new ATOM 0 HD2 HIS A 74 -5.019 14.746 -7.366 1.00 41.45 H new ATOM 0 HE1 HIS A 74 -5.503 14.521 -11.572 1.00 62.24 H new ATOM 0 HE2 HIS A 74 -6.665 14.249 -9.325 1.00 31.31 H new ATOM 1184 N HIS A 75 -0.455 15.063 -6.143 1.00 51.33 N ATOM 1185 CA HIS A 75 0.872 14.883 -5.548 1.00 55.22 C ATOM 1186 C HIS A 75 1.727 13.950 -6.418 1.00 14.43 C ATOM 1187 O HIS A 75 2.379 13.026 -5.907 1.00 21.21 O ATOM 1188 CB HIS A 75 0.762 14.376 -4.078 1.00 40.13 C ATOM 1189 CG HIS A 75 -0.221 13.253 -3.831 1.00 4.31 C ATOM 1190 ND1 HIS A 75 -1.518 13.477 -3.429 1.00 42.41 N ATOM 1191 CD2 HIS A 75 -0.097 11.912 -3.958 1.00 34.04 C ATOM 1192 CE1 HIS A 75 -2.148 12.328 -3.319 1.00 74.11 C ATOM 1193 NE2 HIS A 75 -1.311 11.361 -3.636 1.00 44.05 N ATOM 0 H HIS A 75 -0.956 14.189 -6.304 1.00 51.33 H new ATOM 0 HA HIS A 75 1.373 15.850 -5.513 1.00 55.22 H new ATOM 0 HB2 HIS A 75 1.749 14.045 -3.755 1.00 40.13 H new ATOM 0 HB3 HIS A 75 0.486 15.219 -3.445 1.00 40.13 H new ATOM 0 HD1 HIS A 75 -1.927 14.393 -3.245 1.00 42.41 H new ATOM 0 HD2 HIS A 75 0.791 11.376 -4.257 1.00 34.04 H new ATOM 0 HE1 HIS A 75 -3.178 12.199 -3.019 1.00 74.11 H new ATOM 1202 N HIS A 76 1.707 14.237 -7.739 1.00 72.34 N ATOM 1203 CA HIS A 76 2.403 13.454 -8.790 1.00 41.11 C ATOM 1204 C HIS A 76 1.818 12.035 -8.887 1.00 34.11 C ATOM 1205 O HIS A 76 0.603 11.845 -8.766 1.00 34.41 O ATOM 1206 CB HIS A 76 3.937 13.442 -8.556 1.00 45.23 C ATOM 1207 CG HIS A 76 4.768 12.855 -9.668 1.00 62.20 C ATOM 1208 ND1 HIS A 76 5.381 13.619 -10.635 1.00 41.31 N ATOM 1209 CD2 HIS A 76 5.103 11.572 -9.943 1.00 12.53 C ATOM 1210 CE1 HIS A 76 6.056 12.836 -11.450 1.00 23.24 C ATOM 1211 NE2 HIS A 76 5.904 11.590 -11.052 1.00 21.43 N ATOM 0 H HIS A 76 1.196 15.036 -8.114 1.00 72.34 H new ATOM 0 HA HIS A 76 2.235 13.940 -9.751 1.00 41.11 H new ATOM 0 HB2 HIS A 76 4.267 14.467 -8.384 1.00 45.23 H new ATOM 0 HB3 HIS A 76 4.141 12.884 -7.642 1.00 45.23 H new ATOM 0 HD2 HIS A 76 4.795 10.697 -9.390 1.00 12.53 H new ATOM 0 HE1 HIS A 76 6.636 13.161 -12.301 1.00 23.24 H new ATOM 0 HE2 HIS A 76 6.317 10.771 -11.498 1.00 21.43 H new TER 1220 HIS A 76