USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 870 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 73 THR OG1 : rot 180:sc= 0.0734 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= -1.59! C(o=-2.4!,f=-1.5!) USER MOD Set 2.1: A 57 THR OG1 : rot 91:sc= 0.163 USER MOD Set 2.2: A 128 HIS : no HD1:sc= -3.51! C(o=-3.4!,f=-3.5!) USER MOD Single : A 29 MET CE :methyl -161:sc= -0.152 (180deg=-0.66) USER MOD Single : A 31 CYS SG : rot 180:sc= 0.115 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc=0.000283 USER MOD Single : A 41 SER OG : rot 180:sc= 0.048 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= 1.14 (180deg=0.564) USER MOD Single : A 44 MET CE :methyl 144:sc= -0.0824 (180deg=-1.69) USER MOD Single : A 45 MET CE :methyl -131:sc= -9.96! (180deg=-11.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.573 F(o=-1.5,f=-0.57) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD Single : A 52 THR OG1 : rot -28:sc= 0.0971 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0426 (180deg=-0.31) USER MOD Single : A 60 GLN : amide:sc= -2.05! C(o=-2!,f=-6!) USER MOD Single : A 61 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.084) USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= 0.179 (180deg=-0.166) USER MOD Single : A 71 GLN :FLIP amide:sc= -9.21! C(o=-10!,f=-9.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 82 MET CE :methyl -171:sc= -0.348 (180deg=-0.775) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.12 F(o=-1.7,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0276 (180deg=-0.182) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.34 F(o=-1.1,f=-0.34) USER MOD Single : A 97 LYS NZ :NH3+ 144:sc= -0.298 (180deg=-0.977) USER MOD Single : A 99 CYS SG : rot 40:sc= 1.04 USER MOD Single : A 100 MET CE :methyl -117:sc= -1.62 (180deg=-3.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 106 CYS SG : rot -22:sc= -0.926 USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.22) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -1.78 F(o=-2.6!,f=-1.8) USER MOD Single : A 134 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.09) USER MOD Single : A 138 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.846) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -18.573 -7.285 11.923 1.00 15.50 N ATOM 2 CA MET A 29 -19.236 -7.669 13.196 1.00 14.89 C ATOM 3 C MET A 29 -20.216 -8.823 12.975 1.00 14.63 C ATOM 4 O MET A 29 -21.272 -8.883 13.603 1.00 14.97 O ATOM 5 CB MET A 29 -19.964 -6.463 13.804 1.00 14.83 C ATOM 6 CG MET A 29 -19.034 -5.322 14.190 1.00 15.02 C ATOM 7 SD MET A 29 -19.905 -3.913 14.912 1.00 15.45 S ATOM 8 CE MET A 29 -20.970 -3.432 13.556 1.00 15.28 C ATOM 0 HA MET A 29 -18.467 -8.003 13.892 1.00 14.89 H new ATOM 0 HB2 MET A 29 -20.700 -6.095 13.089 1.00 14.83 H new ATOM 0 HB3 MET A 29 -20.513 -6.788 14.688 1.00 14.83 H new ATOM 0 HG2 MET A 29 -18.295 -5.689 14.902 1.00 15.02 H new ATOM 0 HG3 MET A 29 -18.489 -4.991 13.306 1.00 15.02 H new ATOM 0 HE1 MET A 29 -21.312 -2.408 13.707 1.00 15.28 H new ATOM 0 HE2 MET A 29 -20.417 -3.495 12.619 1.00 15.28 H new ATOM 0 HE3 MET A 29 -21.831 -4.099 13.515 1.00 15.28 H new ATOM 20 N GLU A 30 -19.853 -9.748 12.094 1.00 14.20 N ATOM 21 CA GLU A 30 -20.714 -10.880 11.762 1.00 14.13 C ATOM 22 C GLU A 30 -20.655 -11.934 12.871 1.00 14.36 C ATOM 23 O GLU A 30 -21.601 -12.697 13.077 1.00 14.15 O ATOM 24 CB GLU A 30 -20.270 -11.488 10.429 1.00 13.38 C ATOM 25 CG GLU A 30 -21.174 -12.596 9.909 1.00 12.84 C ATOM 26 CD GLU A 30 -22.462 -12.083 9.302 1.00 13.13 C ATOM 27 OE1 GLU A 30 -22.392 -11.275 8.356 1.00 13.30 O ATOM 28 OE2 GLU A 30 -23.551 -12.449 9.803 1.00 13.36 O ATOM 0 H GLU A 30 -18.964 -9.737 11.594 1.00 14.20 H new ATOM 0 HA GLU A 30 -21.743 -10.532 11.671 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -20.220 -10.696 9.682 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -19.261 -11.883 10.543 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -20.633 -13.175 9.161 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -21.412 -13.276 10.727 1.00 12.84 H new ATOM 35 N CYS A 31 -19.545 -11.942 13.607 1.00 14.95 N ATOM 36 CA CYS A 31 -19.321 -12.911 14.678 1.00 15.43 C ATOM 37 C CYS A 31 -20.212 -12.628 15.888 1.00 15.40 C ATOM 38 O CYS A 31 -20.232 -13.393 16.852 1.00 15.27 O ATOM 39 CB CYS A 31 -17.851 -12.883 15.090 1.00 16.40 C ATOM 40 SG CYS A 31 -17.216 -11.218 15.397 1.00 17.05 S ATOM 0 H CYS A 31 -18.779 -11.281 13.479 1.00 14.95 H new ATOM 0 HA CYS A 31 -19.580 -13.901 14.303 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -17.723 -13.483 15.991 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -17.254 -13.352 14.308 1.00 16.40 H new ATOM 0 HG CYS A 31 -15.965 -11.288 15.743 1.00 17.05 H new ATOM 46 N ALA A 32 -20.939 -11.520 15.834 1.00 15.67 N ATOM 47 CA ALA A 32 -21.896 -11.172 16.877 1.00 15.86 C ATOM 48 C ALA A 32 -23.233 -11.860 16.625 1.00 15.04 C ATOM 49 O ALA A 32 -24.206 -11.636 17.348 1.00 15.00 O ATOM 50 CB ALA A 32 -22.075 -9.663 16.954 1.00 16.57 C ATOM 0 H ALA A 32 -20.884 -10.842 15.074 1.00 15.67 H new ATOM 0 HA ALA A 32 -21.506 -11.520 17.834 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -22.793 -9.421 17.738 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -21.118 -9.194 17.182 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -22.443 -9.291 15.998 1.00 16.57 H new ATOM 56 N ASP A 33 -23.263 -12.682 15.571 1.00 14.54 N ATOM 57 CA ASP A 33 -24.476 -13.371 15.124 1.00 13.85 C ATOM 58 C ASP A 33 -25.458 -12.367 14.557 1.00 12.87 C ATOM 59 O ASP A 33 -26.675 -12.495 14.708 1.00 12.61 O ATOM 60 CB ASP A 33 -25.125 -14.189 16.249 1.00 14.29 C ATOM 61 CG ASP A 33 -24.268 -15.355 16.690 1.00 14.46 C ATOM 62 OD1 ASP A 33 -24.124 -16.323 15.912 1.00 14.55 O ATOM 63 OD2 ASP A 33 -23.738 -15.312 17.821 1.00 14.65 O ATOM 0 H ASP A 33 -22.442 -12.888 15.002 1.00 14.54 H new ATOM 0 HA ASP A 33 -24.190 -14.077 14.344 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -25.314 -13.539 17.103 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -26.092 -14.561 15.911 1.00 14.29 H new ATOM 68 N VAL A 34 -24.904 -11.362 13.903 1.00 12.51 N ATOM 69 CA VAL A 34 -25.690 -10.310 13.291 1.00 11.75 C ATOM 70 C VAL A 34 -25.335 -10.197 11.815 1.00 10.55 C ATOM 71 O VAL A 34 -24.272 -9.680 11.468 1.00 10.22 O ATOM 72 CB VAL A 34 -25.444 -8.946 13.979 1.00 12.12 C ATOM 73 CG1 VAL A 34 -26.208 -7.840 13.270 1.00 12.06 C ATOM 74 CG2 VAL A 34 -25.826 -9.005 15.450 1.00 12.37 C ATOM 0 H VAL A 34 -23.897 -11.254 13.782 1.00 12.51 H new ATOM 0 HA VAL A 34 -26.743 -10.569 13.406 1.00 11.75 H new ATOM 0 HB VAL A 34 -24.379 -8.721 13.914 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -26.021 -6.890 13.770 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -25.877 -7.776 12.233 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -27.275 -8.060 13.297 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -25.644 -8.035 15.912 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -26.882 -9.259 15.542 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -25.226 -9.764 15.952 1.00 12.37 H new ATOM 84 N PRO A 35 -26.203 -10.708 10.930 1.00 10.03 N ATOM 85 CA PRO A 35 -25.997 -10.616 9.485 1.00 8.95 C ATOM 86 C PRO A 35 -25.991 -9.172 9.013 1.00 8.28 C ATOM 87 O PRO A 35 -26.948 -8.424 9.242 1.00 8.57 O ATOM 88 CB PRO A 35 -27.194 -11.369 8.893 1.00 9.02 C ATOM 89 CG PRO A 35 -27.682 -12.226 10.004 1.00 10.14 C ATOM 90 CD PRO A 35 -27.436 -11.437 11.256 1.00 10.65 C ATOM 0 HA PRO A 35 -25.036 -11.031 9.180 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -27.968 -10.680 8.554 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -26.899 -11.967 8.031 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -28.741 -12.456 9.887 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -27.150 -13.177 10.029 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -28.261 -10.761 11.479 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -27.309 -12.083 12.125 1.00 10.65 H new ATOM 98 N LEU A 36 -24.917 -8.789 8.354 1.00 7.62 N ATOM 99 CA LEU A 36 -24.757 -7.421 7.894 1.00 7.19 C ATOM 100 C LEU A 36 -23.865 -7.345 6.661 1.00 6.10 C ATOM 101 O LEU A 36 -22.966 -8.165 6.476 1.00 6.10 O ATOM 102 CB LEU A 36 -24.214 -6.530 9.026 1.00 7.86 C ATOM 103 CG LEU A 36 -23.127 -7.145 9.919 1.00 8.90 C ATOM 104 CD1 LEU A 36 -21.783 -7.216 9.210 1.00 9.33 C ATOM 105 CD2 LEU A 36 -23.006 -6.353 11.209 1.00 9.55 C ATOM 0 H LEU A 36 -24.138 -9.406 8.123 1.00 7.62 H new ATOM 0 HA LEU A 36 -25.740 -7.049 7.606 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -23.815 -5.618 8.581 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -25.050 -6.236 9.660 1.00 7.86 H new ATOM 0 HG LEU A 36 -23.425 -8.168 10.151 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -21.043 -7.657 9.877 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -21.876 -7.830 8.314 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -21.466 -6.211 8.930 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -22.233 -6.796 11.837 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -22.740 -5.321 10.979 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -23.959 -6.372 11.739 1.00 9.55 H new ATOM 117 N LEU A 37 -24.137 -6.363 5.816 1.00 5.42 N ATOM 118 CA LEU A 37 -23.349 -6.134 4.620 1.00 4.46 C ATOM 119 C LEU A 37 -22.365 -5.000 4.861 1.00 3.64 C ATOM 120 O LEU A 37 -22.746 -3.828 4.883 1.00 3.66 O ATOM 121 CB LEU A 37 -24.257 -5.795 3.437 1.00 4.57 C ATOM 122 CG LEU A 37 -23.531 -5.435 2.140 1.00 4.91 C ATOM 123 CD1 LEU A 37 -22.708 -6.609 1.632 1.00 5.34 C ATOM 124 CD2 LEU A 37 -24.526 -4.979 1.087 1.00 5.26 C ATOM 0 H LEU A 37 -24.907 -5.706 5.941 1.00 5.42 H new ATOM 0 HA LEU A 37 -22.798 -7.044 4.384 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -24.909 -6.647 3.245 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -24.898 -4.960 3.719 1.00 4.57 H new ATOM 0 HG LEU A 37 -22.846 -4.613 2.348 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -22.202 -6.326 0.709 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -21.967 -6.885 2.382 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -23.364 -7.458 1.441 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -23.995 -4.726 0.170 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -25.236 -5.781 0.886 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -25.062 -4.102 1.449 1.00 5.26 H new ATOM 136 N THR A 38 -21.107 -5.348 5.059 1.00 3.22 N ATOM 137 CA THR A 38 -20.080 -4.357 5.308 1.00 2.61 C ATOM 138 C THR A 38 -18.895 -4.565 4.372 1.00 1.98 C ATOM 139 O THR A 38 -18.609 -5.696 3.970 1.00 2.04 O ATOM 140 CB THR A 38 -19.596 -4.404 6.776 1.00 2.96 C ATOM 141 OG1 THR A 38 -19.226 -5.742 7.139 1.00 3.50 O ATOM 142 CG2 THR A 38 -20.672 -3.897 7.725 1.00 3.43 C ATOM 0 H THR A 38 -20.773 -6.312 5.052 1.00 3.22 H new ATOM 0 HA THR A 38 -20.519 -3.377 5.120 1.00 2.61 H new ATOM 0 HB THR A 38 -18.725 -3.754 6.859 1.00 2.96 H new ATOM 0 HG1 THR A 38 -18.920 -5.756 8.070 1.00 3.50 H new ATOM 0 HG21 THR A 38 -20.304 -3.942 8.750 1.00 3.43 H new ATOM 0 HG22 THR A 38 -20.922 -2.866 7.474 1.00 3.43 H new ATOM 0 HG23 THR A 38 -21.562 -4.519 7.632 1.00 3.43 H new ATOM 150 N PRO A 39 -18.235 -3.460 3.979 1.00 1.65 N ATOM 151 CA PRO A 39 -16.990 -3.486 3.205 1.00 1.21 C ATOM 152 C PRO A 39 -16.008 -4.527 3.720 1.00 1.17 C ATOM 153 O PRO A 39 -15.487 -4.401 4.827 1.00 1.62 O ATOM 154 CB PRO A 39 -16.441 -2.084 3.424 1.00 1.47 C ATOM 155 CG PRO A 39 -17.654 -1.235 3.535 1.00 1.97 C ATOM 156 CD PRO A 39 -18.676 -2.076 4.250 1.00 2.07 C ATOM 0 HA PRO A 39 -17.153 -3.749 2.160 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -15.833 -2.030 4.327 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -15.808 -1.769 2.594 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -17.442 -0.321 4.089 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -18.013 -0.935 2.551 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -18.694 -1.863 5.319 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -19.682 -1.894 3.871 1.00 2.07 H new ATOM 164 N SER A 40 -15.765 -5.554 2.922 1.00 0.90 N ATOM 165 CA SER A 40 -14.937 -6.658 3.363 1.00 0.95 C ATOM 166 C SER A 40 -13.577 -6.680 2.669 1.00 0.90 C ATOM 167 O SER A 40 -12.544 -6.531 3.326 1.00 0.97 O ATOM 168 CB SER A 40 -15.680 -7.970 3.110 1.00 1.11 C ATOM 169 OG SER A 40 -16.223 -7.990 1.799 1.00 1.74 O ATOM 0 H SER A 40 -16.127 -5.644 1.973 1.00 0.90 H new ATOM 0 HA SER A 40 -14.745 -6.531 4.428 1.00 0.95 H new ATOM 0 HB2 SER A 40 -14.999 -8.811 3.241 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.478 -8.089 3.842 1.00 1.11 H new ATOM 0 HG SER A 40 -16.694 -8.837 1.653 1.00 1.74 H new ATOM 175 N SER A 41 -13.566 -6.841 1.349 1.00 0.87 N ATOM 176 CA SER A 41 -12.309 -7.046 0.651 1.00 0.90 C ATOM 177 C SER A 41 -11.650 -5.735 0.208 1.00 0.76 C ATOM 178 O SER A 41 -10.630 -5.341 0.769 1.00 0.83 O ATOM 179 CB SER A 41 -12.553 -7.964 -0.545 1.00 1.08 C ATOM 180 OG SER A 41 -13.727 -7.586 -1.242 1.00 1.76 O ATOM 0 H SER A 41 -14.395 -6.833 0.755 1.00 0.87 H new ATOM 0 HA SER A 41 -11.610 -7.511 1.346 1.00 0.90 H new ATOM 0 HB2 SER A 41 -11.697 -7.925 -1.219 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.644 -8.995 -0.204 1.00 1.08 H new ATOM 0 HG SER A 41 -13.862 -8.186 -2.005 1.00 1.76 H new ATOM 186 N LYS A 42 -12.220 -5.047 -0.782 1.00 0.66 N ATOM 187 CA LYS A 42 -11.679 -3.755 -1.202 1.00 0.58 C ATOM 188 C LYS A 42 -12.313 -2.606 -0.460 1.00 0.51 C ATOM 189 O LYS A 42 -11.642 -1.669 -0.055 1.00 0.55 O ATOM 190 CB LYS A 42 -11.873 -3.493 -2.684 1.00 0.62 C ATOM 191 CG LYS A 42 -11.193 -2.196 -3.134 1.00 0.61 C ATOM 192 CD LYS A 42 -9.757 -2.411 -3.593 1.00 0.86 C ATOM 193 CE LYS A 42 -9.683 -3.137 -4.927 1.00 1.40 C ATOM 194 NZ LYS A 42 -8.308 -3.108 -5.493 1.00 1.90 N ATOM 0 H LYS A 42 -13.042 -5.356 -1.300 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.615 -3.814 -0.973 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.471 -4.330 -3.255 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.939 -3.439 -2.906 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.767 -1.754 -3.948 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -11.203 -1.481 -2.311 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -9.256 -1.447 -3.678 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -9.218 -2.985 -2.839 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -10.001 -4.171 -4.797 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -10.376 -2.677 -5.631 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -8.173 -3.927 -6.119 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -8.175 -2.231 -6.036 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -7.613 -3.145 -4.720 1.00 1.90 H new ATOM 208 N GLU A 43 -13.619 -2.659 -0.301 1.00 0.48 N ATOM 209 CA GLU A 43 -14.362 -1.502 0.156 1.00 0.47 C ATOM 210 C GLU A 43 -13.941 -1.106 1.568 1.00 0.41 C ATOM 211 O GLU A 43 -14.221 0.002 2.021 1.00 0.42 O ATOM 212 CB GLU A 43 -15.877 -1.727 0.052 1.00 0.57 C ATOM 213 CG GLU A 43 -16.326 -3.169 0.212 1.00 1.04 C ATOM 214 CD GLU A 43 -16.106 -4.029 -1.019 1.00 1.57 C ATOM 215 OE1 GLU A 43 -16.969 -4.021 -1.919 1.00 1.68 O ATOM 216 OE2 GLU A 43 -15.081 -4.735 -1.075 1.00 2.23 O ATOM 0 H GLU A 43 -14.187 -3.487 -0.480 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.121 -0.668 -0.504 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.372 -1.122 0.812 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.217 -1.362 -0.917 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -15.792 -3.613 1.052 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -17.386 -3.182 0.466 1.00 1.04 H new ATOM 223 N MET A 44 -13.247 -2.007 2.258 1.00 0.41 N ATOM 224 CA MET A 44 -12.640 -1.676 3.526 1.00 0.41 C ATOM 225 C MET A 44 -11.486 -0.699 3.303 1.00 0.31 C ATOM 226 O MET A 44 -11.467 0.377 3.877 1.00 0.28 O ATOM 227 CB MET A 44 -12.149 -2.942 4.226 1.00 0.50 C ATOM 228 CG MET A 44 -11.410 -2.671 5.519 1.00 0.82 C ATOM 229 SD MET A 44 -12.387 -1.716 6.700 1.00 1.59 S ATOM 230 CE MET A 44 -13.784 -2.808 6.941 1.00 1.62 C ATOM 0 H MET A 44 -13.096 -2.969 1.954 1.00 0.41 H new ATOM 0 HA MET A 44 -13.383 -1.202 4.167 1.00 0.41 H new ATOM 0 HB2 MET A 44 -13.003 -3.587 4.433 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.493 -3.490 3.550 1.00 0.50 H new ATOM 0 HG2 MET A 44 -11.125 -3.619 5.974 1.00 0.82 H new ATOM 0 HG3 MET A 44 -10.488 -2.133 5.299 1.00 0.82 H new ATOM 0 HE1 MET A 44 -14.113 -2.755 7.979 1.00 1.62 H new ATOM 0 HE2 MET A 44 -14.600 -2.504 6.286 1.00 1.62 H new ATOM 0 HE3 MET A 44 -13.491 -3.831 6.705 1.00 1.62 H new ATOM 240 N MET A 45 -10.539 -1.073 2.448 1.00 0.28 N ATOM 241 CA MET A 45 -9.415 -0.198 2.113 1.00 0.22 C ATOM 242 C MET A 45 -9.885 1.030 1.337 1.00 0.20 C ATOM 243 O MET A 45 -9.265 2.082 1.403 1.00 0.20 O ATOM 244 CB MET A 45 -8.356 -0.945 1.299 1.00 0.24 C ATOM 245 CG MET A 45 -8.851 -1.381 -0.066 1.00 0.32 C ATOM 246 SD MET A 45 -7.873 -2.692 -0.810 1.00 0.98 S ATOM 247 CE MET A 45 -6.486 -1.754 -1.420 1.00 0.22 C ATOM 0 H MET A 45 -10.525 -1.976 1.973 1.00 0.28 H new ATOM 0 HA MET A 45 -8.970 0.128 3.053 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.483 -0.304 1.174 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.030 -1.822 1.857 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.884 -1.718 0.023 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.853 -0.519 -0.733 1.00 0.32 H new ATOM 0 HE1 MET A 45 -6.295 -2.021 -2.460 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.709 -0.689 -1.354 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.604 -1.978 -0.820 1.00 0.22 H new ATOM 257 N SER A 46 -10.962 0.892 0.581 1.00 0.24 N ATOM 258 CA SER A 46 -11.534 2.029 -0.121 1.00 0.30 C ATOM 259 C SER A 46 -11.809 3.170 0.858 1.00 0.27 C ATOM 260 O SER A 46 -11.400 4.309 0.629 1.00 0.30 O ATOM 261 CB SER A 46 -12.810 1.610 -0.852 1.00 0.39 C ATOM 262 OG SER A 46 -13.325 2.667 -1.644 1.00 0.53 O ATOM 0 H SER A 46 -11.455 0.010 0.438 1.00 0.24 H new ATOM 0 HA SER A 46 -10.820 2.385 -0.863 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.602 0.748 -1.485 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.561 1.298 -0.126 1.00 0.39 H new ATOM 0 HG SER A 46 -14.139 2.368 -2.100 1.00 0.53 H new ATOM 268 N GLN A 47 -12.494 2.867 1.951 1.00 0.25 N ATOM 269 CA GLN A 47 -12.694 3.852 3.001 1.00 0.27 C ATOM 270 C GLN A 47 -11.430 4.028 3.853 1.00 0.24 C ATOM 271 O GLN A 47 -10.956 5.144 4.041 1.00 0.29 O ATOM 272 CB GLN A 47 -13.908 3.494 3.870 1.00 0.30 C ATOM 273 CG GLN A 47 -13.853 2.099 4.469 1.00 0.33 C ATOM 274 CD GLN A 47 -15.104 1.734 5.239 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.432 0.454 5.249 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -15.768 2.591 5.821 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.916 1.956 2.132 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.899 4.809 2.521 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.990 4.221 4.678 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.812 3.583 3.267 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.700 1.373 3.671 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.991 2.029 5.133 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -15.480 3.569 5.788 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -16.607 2.324 6.336 1.00 1.11 H new ATOM 285 N ALA A 48 -10.876 2.920 4.345 1.00 0.21 N ATOM 286 CA ALA A 48 -9.772 2.962 5.301 1.00 0.22 C ATOM 287 C ALA A 48 -8.468 3.433 4.678 1.00 0.20 C ATOM 288 O ALA A 48 -7.874 4.395 5.152 1.00 0.22 O ATOM 289 CB ALA A 48 -9.564 1.596 5.938 1.00 0.24 C ATOM 0 H ALA A 48 -11.176 1.978 4.095 1.00 0.21 H new ATOM 0 HA ALA A 48 -10.054 3.689 6.062 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.738 1.647 6.647 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.472 1.296 6.460 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.333 0.865 5.163 1.00 0.24 H new ATOM 295 N LEU A 49 -8.034 2.785 3.600 1.00 0.18 N ATOM 296 CA LEU A 49 -6.716 3.042 3.029 1.00 0.18 C ATOM 297 C LEU A 49 -6.652 4.425 2.439 1.00 0.19 C ATOM 298 O LEU A 49 -5.785 5.224 2.782 1.00 0.21 O ATOM 299 CB LEU A 49 -6.393 2.054 1.904 1.00 0.23 C ATOM 300 CG LEU A 49 -5.250 1.085 2.168 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.834 0.450 0.862 1.00 0.47 C ATOM 302 CD2 LEU A 49 -4.066 1.769 2.844 1.00 0.58 C ATOM 0 H LEU A 49 -8.577 2.078 3.104 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.998 2.934 3.842 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.291 1.474 1.689 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.158 2.624 1.005 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.598 0.315 2.857 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.015 -0.247 1.041 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.680 -0.087 0.433 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.507 1.225 0.169 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.273 1.040 3.014 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.693 2.568 2.203 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.384 2.188 3.799 1.00 0.58 H new ATOM 314 N LYS A 50 -7.576 4.687 1.531 1.00 0.19 N ATOM 315 CA LYS A 50 -7.544 5.903 0.750 1.00 0.21 C ATOM 316 C LYS A 50 -7.609 7.134 1.660 1.00 0.23 C ATOM 317 O LYS A 50 -7.082 8.197 1.329 1.00 0.27 O ATOM 318 CB LYS A 50 -8.672 5.894 -0.284 1.00 0.22 C ATOM 319 CG LYS A 50 -8.757 4.590 -1.071 1.00 0.20 C ATOM 320 CD LYS A 50 -7.444 4.254 -1.779 1.00 0.21 C ATOM 321 CE LYS A 50 -7.045 5.326 -2.782 1.00 0.24 C ATOM 322 NZ LYS A 50 -8.005 5.424 -3.910 1.00 0.55 N ATOM 0 H LYS A 50 -8.359 4.069 1.319 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.599 5.954 0.209 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.621 6.067 0.222 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.526 6.721 -0.979 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -9.021 3.777 -0.395 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.556 4.664 -1.808 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.653 4.138 -1.039 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.543 3.297 -2.292 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -6.982 6.289 -2.276 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.051 5.105 -3.171 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.633 6.080 -4.626 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -8.137 4.485 -4.337 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.919 5.776 -3.559 1.00 0.55 H new ATOM 336 N ALA A 51 -8.256 6.971 2.811 1.00 0.22 N ATOM 337 CA ALA A 51 -8.281 8.004 3.842 1.00 0.23 C ATOM 338 C ALA A 51 -6.986 8.019 4.663 1.00 0.23 C ATOM 339 O ALA A 51 -6.416 9.079 4.926 1.00 0.26 O ATOM 340 CB ALA A 51 -9.479 7.816 4.759 1.00 0.25 C ATOM 0 H ALA A 51 -8.774 6.126 3.054 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.367 8.966 3.336 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.480 8.596 5.521 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.397 7.878 4.175 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.420 6.839 5.239 1.00 0.25 H new ATOM 346 N THR A 52 -6.517 6.830 5.048 1.00 0.21 N ATOM 347 CA THR A 52 -5.447 6.696 6.035 1.00 0.22 C ATOM 348 C THR A 52 -4.087 7.121 5.493 1.00 0.21 C ATOM 349 O THR A 52 -3.151 7.322 6.263 1.00 0.23 O ATOM 350 CB THR A 52 -5.351 5.238 6.557 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.554 5.188 7.748 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.750 4.304 5.504 1.00 0.18 C ATOM 0 H THR A 52 -6.865 5.942 4.688 1.00 0.21 H new ATOM 0 HA THR A 52 -5.709 7.367 6.853 1.00 0.22 H new ATOM 0 HB THR A 52 -6.364 4.902 6.778 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.903 5.920 7.737 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.698 3.291 5.903 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.376 4.310 4.612 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.747 4.644 5.246 1.00 0.18 H new ATOM 360 N PHE A 53 -3.993 7.298 4.180 1.00 0.23 N ATOM 361 CA PHE A 53 -2.705 7.501 3.518 1.00 0.27 C ATOM 362 C PHE A 53 -1.894 8.641 4.122 1.00 0.32 C ATOM 363 O PHE A 53 -0.661 8.617 4.084 1.00 0.34 O ATOM 364 CB PHE A 53 -2.885 7.758 2.026 1.00 0.31 C ATOM 365 CG PHE A 53 -3.341 6.558 1.264 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.803 5.316 1.522 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.319 6.672 0.297 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.233 4.209 0.823 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.752 5.567 -0.402 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.164 4.330 -0.160 1.00 0.38 C ATOM 0 H PHE A 53 -4.795 7.305 3.549 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.150 6.576 3.672 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.608 8.562 1.889 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.940 8.105 1.609 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -2.039 5.209 2.278 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.750 7.639 0.086 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.827 3.236 1.058 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.542 5.660 -1.132 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.446 3.470 -0.750 1.00 0.38 H new ATOM 380 N SER A 54 -2.585 9.619 4.682 1.00 0.36 N ATOM 381 CA SER A 54 -1.935 10.786 5.249 1.00 0.44 C ATOM 382 C SER A 54 -1.024 10.411 6.418 1.00 0.39 C ATOM 383 O SER A 54 -0.077 11.130 6.727 1.00 0.46 O ATOM 384 CB SER A 54 -2.998 11.790 5.688 1.00 0.55 C ATOM 385 OG SER A 54 -4.094 11.130 6.302 1.00 1.37 O ATOM 0 H SER A 54 -3.602 9.627 4.756 1.00 0.36 H new ATOM 0 HA SER A 54 -1.302 11.238 4.485 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.562 12.506 6.385 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.347 12.357 4.825 1.00 0.55 H new ATOM 0 HG SER A 54 -4.762 11.792 6.577 1.00 1.37 H new ATOM 391 N GLY A 55 -1.317 9.280 7.052 1.00 0.31 N ATOM 392 CA GLY A 55 -0.513 8.805 8.158 1.00 0.28 C ATOM 393 C GLY A 55 0.951 8.620 7.799 1.00 0.22 C ATOM 394 O GLY A 55 1.816 9.331 8.312 1.00 0.25 O ATOM 0 H GLY A 55 -2.107 8.680 6.814 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.591 9.511 8.985 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.917 7.856 8.510 1.00 0.28 H new ATOM 398 N PHE A 56 1.233 7.681 6.901 1.00 0.15 N ATOM 399 CA PHE A 56 2.617 7.347 6.580 1.00 0.12 C ATOM 400 C PHE A 56 3.268 8.440 5.768 1.00 0.13 C ATOM 401 O PHE A 56 4.361 8.859 6.072 1.00 0.17 O ATOM 402 CB PHE A 56 2.736 6.037 5.805 1.00 0.13 C ATOM 403 CG PHE A 56 4.162 5.692 5.480 1.00 0.16 C ATOM 404 CD1 PHE A 56 4.974 5.075 6.417 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.678 5.955 4.223 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.274 4.731 6.107 1.00 0.28 C ATOM 407 CE2 PHE A 56 5.979 5.617 3.910 1.00 0.26 C ATOM 408 CZ PHE A 56 6.815 5.104 4.908 1.00 0.28 C ATOM 0 H PHE A 56 0.533 7.144 6.389 1.00 0.15 H new ATOM 0 HA PHE A 56 3.126 7.237 7.537 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.294 5.230 6.390 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.163 6.111 4.881 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.585 4.861 7.402 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.056 6.430 3.479 1.00 0.20 H new ATOM 0 HE1 PHE A 56 6.865 4.166 6.813 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.349 5.747 2.904 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.876 5.004 4.733 1.00 0.28 H new ATOM 418 N THR A 57 2.575 8.909 4.753 1.00 0.16 N ATOM 419 CA THR A 57 3.145 9.864 3.800 1.00 0.24 C ATOM 420 C THR A 57 3.546 11.179 4.488 1.00 0.26 C ATOM 421 O THR A 57 4.400 11.922 4.000 1.00 0.35 O ATOM 422 CB THR A 57 2.144 10.146 2.679 1.00 0.32 C ATOM 423 OG1 THR A 57 1.758 8.903 2.061 1.00 0.39 O ATOM 424 CG2 THR A 57 2.729 11.077 1.623 1.00 0.46 C ATOM 0 H THR A 57 1.608 8.648 4.557 1.00 0.16 H new ATOM 0 HA THR A 57 4.046 9.418 3.380 1.00 0.24 H new ATOM 0 HB THR A 57 1.276 10.638 3.117 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.968 8.543 2.515 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.988 11.254 0.843 1.00 0.46 H new ATOM 0 HG22 THR A 57 3.003 12.025 2.085 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.615 10.618 1.184 1.00 0.46 H new ATOM 432 N LYS A 58 2.956 11.427 5.646 1.00 0.24 N ATOM 433 CA LYS A 58 3.300 12.608 6.432 1.00 0.31 C ATOM 434 C LYS A 58 4.603 12.357 7.179 1.00 0.29 C ATOM 435 O LYS A 58 5.496 13.206 7.223 1.00 0.31 O ATOM 436 CB LYS A 58 2.192 12.965 7.424 1.00 0.39 C ATOM 437 CG LYS A 58 2.564 14.103 8.363 1.00 0.50 C ATOM 438 CD LYS A 58 1.444 14.414 9.342 1.00 1.34 C ATOM 439 CE LYS A 58 0.234 15.012 8.646 1.00 1.93 C ATOM 440 NZ LYS A 58 0.545 16.331 8.032 1.00 2.52 N ATOM 0 H LYS A 58 2.240 10.832 6.064 1.00 0.24 H new ATOM 0 HA LYS A 58 3.419 13.449 5.749 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.294 13.240 6.871 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.945 12.083 8.015 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.466 13.839 8.915 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.796 14.994 7.780 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.151 13.501 9.860 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.807 15.108 10.100 1.00 1.34 H new ATOM 0 HE2 LYS A 58 -0.118 14.326 7.875 1.00 1.93 H new ATOM 0 HE3 LYS A 58 -0.578 15.128 9.364 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 -0.341 16.828 7.809 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 1.103 16.901 8.699 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.091 16.187 7.158 1.00 2.52 H new ATOM 454 N GLU A 59 4.711 11.162 7.739 1.00 0.26 N ATOM 455 CA GLU A 59 5.877 10.773 8.513 1.00 0.25 C ATOM 456 C GLU A 59 6.985 10.269 7.585 1.00 0.21 C ATOM 457 O GLU A 59 8.156 10.231 7.949 1.00 0.24 O ATOM 458 CB GLU A 59 5.467 9.743 9.570 1.00 0.31 C ATOM 459 CG GLU A 59 6.409 8.579 9.740 1.00 0.43 C ATOM 460 CD GLU A 59 6.344 8.006 11.137 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.491 7.128 11.382 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.164 8.399 11.992 1.00 0.98 O ATOM 0 H GLU A 59 3.996 10.438 7.670 1.00 0.26 H new ATOM 0 HA GLU A 59 6.284 11.635 9.041 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.369 10.252 10.529 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.481 9.356 9.312 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.162 7.802 9.016 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.428 8.901 9.526 1.00 0.43 H new ATOM 469 N GLN A 60 6.587 9.902 6.379 1.00 0.19 N ATOM 470 CA GLN A 60 7.503 9.557 5.303 1.00 0.19 C ATOM 471 C GLN A 60 8.488 10.693 5.129 1.00 0.22 C ATOM 472 O GLN A 60 9.695 10.499 5.110 1.00 0.23 O ATOM 473 CB GLN A 60 6.701 9.355 4.013 1.00 0.21 C ATOM 474 CG GLN A 60 7.417 8.605 2.912 1.00 0.28 C ATOM 475 CD GLN A 60 6.487 8.311 1.750 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.277 8.163 1.930 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.037 8.233 0.556 1.00 0.26 N ATOM 0 H GLN A 60 5.604 9.834 6.115 1.00 0.19 H new ATOM 0 HA GLN A 60 8.042 8.639 5.536 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.783 8.819 4.256 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.408 10.333 3.631 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.266 9.192 2.562 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.817 7.671 3.306 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.043 8.362 0.449 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.457 8.044 -0.261 1.00 0.26 H new ATOM 486 N GLN A 61 7.935 11.891 5.062 1.00 0.28 N ATOM 487 CA GLN A 61 8.729 13.113 4.959 1.00 0.34 C ATOM 488 C GLN A 61 9.622 13.283 6.190 1.00 0.34 C ATOM 489 O GLN A 61 10.783 13.681 6.090 1.00 0.37 O ATOM 490 CB GLN A 61 7.797 14.311 4.840 1.00 0.45 C ATOM 491 CG GLN A 61 6.890 14.244 3.622 1.00 0.58 C ATOM 492 CD GLN A 61 7.670 14.127 2.324 1.00 0.77 C ATOM 493 OE1 GLN A 61 8.019 15.131 1.706 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.948 12.902 1.902 1.00 1.12 N ATOM 0 H GLN A 61 6.927 12.049 5.077 1.00 0.28 H new ATOM 0 HA GLN A 61 9.363 13.045 4.075 1.00 0.34 H new ATOM 0 HB2 GLN A 61 7.184 14.377 5.739 1.00 0.45 H new ATOM 0 HB3 GLN A 61 8.392 15.223 4.792 1.00 0.45 H new ATOM 0 HG2 GLN A 61 6.220 13.390 3.718 1.00 0.58 H new ATOM 0 HG3 GLN A 61 6.265 15.137 3.588 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.641 12.094 2.443 1.00 1.12 H new ATOM 0 HE22 GLN A 61 8.469 12.767 1.036 1.00 1.12 H new ATOM 503 N ARG A 62 9.050 12.963 7.344 1.00 0.34 N ATOM 504 CA ARG A 62 9.733 13.056 8.635 1.00 0.39 C ATOM 505 C ARG A 62 10.937 12.118 8.678 1.00 0.36 C ATOM 506 O ARG A 62 12.036 12.507 9.069 1.00 0.41 O ATOM 507 CB ARG A 62 8.737 12.681 9.737 1.00 0.44 C ATOM 508 CG ARG A 62 9.278 12.735 11.161 1.00 0.58 C ATOM 509 CD ARG A 62 9.557 14.159 11.617 1.00 1.13 C ATOM 510 NE ARG A 62 10.899 14.603 11.253 1.00 1.93 N ATOM 511 CZ ARG A 62 11.159 15.744 10.619 1.00 2.74 C ATOM 512 NH1 ARG A 62 10.163 16.497 10.161 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.418 16.117 10.418 1.00 3.73 N ATOM 0 H ARG A 62 8.089 12.628 7.414 1.00 0.34 H new ATOM 0 HA ARG A 62 10.095 14.073 8.783 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.878 13.349 9.668 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.372 11.672 9.544 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.560 12.273 11.838 1.00 0.58 H new ATOM 0 HG3 ARG A 62 10.196 12.150 11.222 1.00 0.58 H new ATOM 0 HD2 ARG A 62 8.822 14.831 11.174 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.436 14.222 12.698 1.00 1.13 H new ATOM 0 HE ARG A 62 11.686 14.002 11.500 1.00 1.93 H new ATOM 0 HH11 ARG A 62 9.196 16.201 10.295 1.00 2.99 H new ATOM 0 HH12 ARG A 62 10.366 17.371 9.676 1.00 2.99 H new ATOM 0 HH21 ARG A 62 13.183 15.529 10.749 1.00 3.73 H new ATOM 0 HH22 ARG A 62 12.620 16.991 9.932 1.00 3.73 H new ATOM 527 N LEU A 63 10.709 10.883 8.255 1.00 0.30 N ATOM 528 CA LEU A 63 11.737 9.849 8.237 1.00 0.32 C ATOM 529 C LEU A 63 12.697 10.025 7.075 1.00 0.31 C ATOM 530 O LEU A 63 13.549 9.170 6.825 1.00 0.37 O ATOM 531 CB LEU A 63 11.068 8.475 8.192 1.00 0.33 C ATOM 532 CG LEU A 63 10.134 8.188 9.371 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.288 6.953 9.106 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.937 8.016 10.649 1.00 0.65 C ATOM 0 H LEU A 63 9.802 10.567 7.913 1.00 0.30 H new ATOM 0 HA LEU A 63 12.330 9.935 9.147 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.500 8.391 7.265 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.842 7.708 8.162 1.00 0.33 H new ATOM 0 HG LEU A 63 9.463 9.039 9.490 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.633 6.771 9.958 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.685 7.110 8.212 1.00 1.01 H new ATOM 0 HD13 LEU A 63 9.939 6.091 8.957 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.261 7.813 11.479 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.631 7.183 10.534 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.497 8.929 10.853 1.00 0.65 H new ATOM 546 N GLY A 64 12.563 11.145 6.377 1.00 0.28 N ATOM 547 CA GLY A 64 13.423 11.418 5.248 1.00 0.30 C ATOM 548 C GLY A 64 13.208 10.407 4.155 1.00 0.27 C ATOM 549 O GLY A 64 14.088 10.163 3.327 1.00 0.33 O ATOM 0 H GLY A 64 11.872 11.869 6.575 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.224 12.420 4.867 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.465 11.400 5.566 1.00 0.30 H new ATOM 553 N ILE A 65 12.032 9.804 4.169 1.00 0.22 N ATOM 554 CA ILE A 65 11.689 8.810 3.194 1.00 0.20 C ATOM 555 C ILE A 65 11.138 9.497 1.949 1.00 0.21 C ATOM 556 O ILE A 65 10.138 10.213 2.023 1.00 0.23 O ATOM 557 CB ILE A 65 10.659 7.784 3.720 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.192 7.084 4.971 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.333 6.756 2.645 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.296 5.970 5.480 1.00 0.20 C ATOM 0 H ILE A 65 11.301 9.994 4.854 1.00 0.22 H new ATOM 0 HA ILE A 65 12.598 8.256 2.959 1.00 0.20 H new ATOM 0 HB ILE A 65 9.746 8.319 3.980 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.178 6.673 4.754 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.322 7.823 5.762 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.607 6.042 3.033 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.916 7.261 1.773 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.243 6.229 2.358 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.741 5.522 6.369 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.316 6.377 5.731 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.186 5.210 4.707 1.00 0.20 H new ATOM 572 N PRO A 66 11.810 9.309 0.808 1.00 0.24 N ATOM 573 CA PRO A 66 11.388 9.890 -0.473 1.00 0.27 C ATOM 574 C PRO A 66 9.903 9.654 -0.755 1.00 0.22 C ATOM 575 O PRO A 66 9.402 8.554 -0.566 1.00 0.23 O ATOM 576 CB PRO A 66 12.239 9.132 -1.487 1.00 0.35 C ATOM 577 CG PRO A 66 13.458 8.705 -0.747 1.00 0.26 C ATOM 578 CD PRO A 66 13.047 8.520 0.684 1.00 0.31 C ATOM 0 HA PRO A 66 11.518 10.972 -0.497 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.701 8.272 -1.885 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.497 9.767 -2.335 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.856 7.778 -1.159 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.245 9.455 -0.830 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.874 7.469 0.916 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.817 8.876 1.369 1.00 0.31 H new ATOM 586 N LYS A 67 9.210 10.713 -1.170 1.00 0.25 N ATOM 587 CA LYS A 67 7.769 10.662 -1.469 1.00 0.27 C ATOM 588 C LYS A 67 7.409 9.594 -2.508 1.00 0.25 C ATOM 589 O LYS A 67 6.328 9.011 -2.452 1.00 0.36 O ATOM 590 CB LYS A 67 7.266 12.036 -1.942 1.00 0.43 C ATOM 591 CG LYS A 67 8.224 12.763 -2.878 1.00 1.04 C ATOM 592 CD LYS A 67 7.579 13.994 -3.500 1.00 1.15 C ATOM 593 CE LYS A 67 6.675 13.638 -4.675 1.00 1.67 C ATOM 594 NZ LYS A 67 7.454 13.286 -5.895 1.00 2.42 N ATOM 0 H LYS A 67 9.626 11.634 -1.310 1.00 0.25 H new ATOM 0 HA LYS A 67 7.273 10.387 -0.538 1.00 0.27 H new ATOM 0 HB2 LYS A 67 6.310 11.906 -2.448 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.082 12.663 -1.070 1.00 0.43 H new ATOM 0 HG2 LYS A 67 9.116 13.059 -2.327 1.00 1.04 H new ATOM 0 HG3 LYS A 67 8.547 12.084 -3.667 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.998 14.520 -2.742 1.00 1.15 H new ATOM 0 HD3 LYS A 67 8.357 14.679 -3.837 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.036 12.799 -4.399 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.019 14.480 -4.895 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 6.989 13.691 -6.733 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 8.417 13.669 -5.814 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.500 12.251 -5.991 1.00 2.42 H new ATOM 608 N ASP A 68 8.309 9.348 -3.450 1.00 0.28 N ATOM 609 CA ASP A 68 8.077 8.339 -4.482 1.00 0.28 C ATOM 610 C ASP A 68 8.570 6.995 -4.001 1.00 0.21 C ATOM 611 O ASP A 68 9.347 6.924 -3.062 1.00 0.23 O ATOM 612 CB ASP A 68 8.798 8.696 -5.786 1.00 0.39 C ATOM 613 CG ASP A 68 8.324 9.990 -6.395 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.752 11.060 -5.919 1.00 1.65 O ATOM 615 OD2 ASP A 68 7.545 9.939 -7.363 1.00 1.88 O ATOM 0 H ASP A 68 9.205 9.830 -3.524 1.00 0.28 H new ATOM 0 HA ASP A 68 7.005 8.302 -4.676 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.869 8.764 -5.594 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.654 7.890 -6.505 1.00 0.39 H new ATOM 620 N PRO A 69 8.104 5.906 -4.612 1.00 0.19 N ATOM 621 CA PRO A 69 8.630 4.577 -4.342 1.00 0.20 C ATOM 622 C PRO A 69 9.890 4.282 -5.142 1.00 0.26 C ATOM 623 O PRO A 69 10.773 3.609 -4.658 1.00 0.65 O ATOM 624 CB PRO A 69 7.504 3.635 -4.779 1.00 0.40 C ATOM 625 CG PRO A 69 6.409 4.496 -5.334 1.00 0.37 C ATOM 626 CD PRO A 69 6.987 5.864 -5.559 1.00 0.22 C ATOM 0 HA PRO A 69 8.912 4.467 -3.295 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.860 2.930 -5.530 1.00 0.40 H new ATOM 0 HB3 PRO A 69 7.143 3.047 -3.935 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.030 4.081 -6.268 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.569 4.543 -4.641 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.324 5.996 -6.587 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.258 6.649 -5.359 1.00 0.22 H new ATOM 634 N ARG A 70 9.981 4.875 -6.331 1.00 0.20 N ATOM 635 CA ARG A 70 10.963 4.502 -7.378 1.00 0.26 C ATOM 636 C ARG A 70 12.441 4.611 -6.959 1.00 0.19 C ATOM 637 O ARG A 70 13.327 4.338 -7.763 1.00 0.27 O ATOM 638 CB ARG A 70 10.770 5.376 -8.628 1.00 0.46 C ATOM 639 CG ARG A 70 9.531 5.069 -9.462 1.00 0.96 C ATOM 640 CD ARG A 70 8.261 5.647 -8.857 1.00 0.87 C ATOM 641 NE ARG A 70 7.162 5.671 -9.825 1.00 1.06 N ATOM 642 CZ ARG A 70 6.325 6.702 -9.994 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.459 7.810 -9.275 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.357 6.627 -10.899 1.00 1.79 N ATOM 0 H ARG A 70 9.370 5.642 -6.610 1.00 0.20 H new ATOM 0 HA ARG A 70 10.760 3.449 -7.573 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.727 6.420 -8.316 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.649 5.269 -9.263 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.665 5.470 -10.467 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.423 3.989 -9.561 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.969 5.055 -7.990 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.455 6.659 -8.502 1.00 0.87 H new ATOM 0 HE ARG A 70 7.025 4.847 -10.410 1.00 1.06 H new ATOM 0 HH11 ARG A 70 7.206 7.883 -8.584 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.815 8.589 -9.413 1.00 1.89 H new ATOM 0 HH21 ARG A 70 5.252 5.785 -11.464 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.718 7.412 -11.029 1.00 1.79 H new ATOM 658 N GLN A 71 12.712 5.001 -5.731 1.00 0.16 N ATOM 659 CA GLN A 71 14.088 5.242 -5.296 1.00 0.16 C ATOM 660 C GLN A 71 14.292 4.866 -3.831 1.00 0.15 C ATOM 661 O GLN A 71 15.249 5.305 -3.193 1.00 0.18 O ATOM 662 CB GLN A 71 14.448 6.719 -5.492 1.00 0.20 C ATOM 663 CG GLN A 71 13.836 7.638 -4.443 1.00 0.38 C ATOM 664 CD GLN A 71 12.325 7.552 -4.398 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.806 6.580 -3.652 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.635 8.324 -5.051 1.00 0.29 N flip ATOM 0 H GLN A 71 12.006 5.160 -5.012 1.00 0.16 H new ATOM 0 HA GLN A 71 14.739 4.614 -5.904 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.532 6.826 -5.469 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.117 7.037 -6.480 1.00 0.20 H new ATOM 0 HG2 GLN A 71 14.239 7.383 -3.463 1.00 0.38 H new ATOM 0 HG3 GLN A 71 14.131 8.667 -4.651 1.00 0.38 H new ATOM 0 HE21 GLN A 71 12.076 9.055 -5.609 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.619 8.236 -5.037 1.00 0.29 H new ATOM 675 N TRP A 72 13.401 4.052 -3.294 1.00 0.12 N ATOM 676 CA TRP A 72 13.461 3.684 -1.891 1.00 0.11 C ATOM 677 C TRP A 72 14.519 2.623 -1.640 1.00 0.12 C ATOM 678 O TRP A 72 15.005 1.972 -2.560 1.00 0.14 O ATOM 679 CB TRP A 72 12.103 3.123 -1.459 1.00 0.11 C ATOM 680 CG TRP A 72 11.108 4.147 -1.035 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.325 5.467 -0.798 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.726 3.912 -0.781 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.152 6.070 -0.424 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.153 5.135 -0.409 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.917 2.784 -0.842 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.800 5.256 -0.096 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.581 2.906 -0.534 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.035 4.132 -0.168 1.00 0.10 C ATOM 0 H TRP A 72 12.627 3.633 -3.809 1.00 0.12 H new ATOM 0 HA TRP A 72 13.716 4.577 -1.320 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.683 2.550 -2.286 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.259 2.426 -0.635 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.278 5.966 -0.890 1.00 0.10 H new ATOM 0 HE1 TRP A 72 10.042 7.058 -0.194 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.330 1.827 -1.126 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.375 6.206 0.193 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.945 2.034 -0.577 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.982 4.194 0.064 1.00 0.10 H new ATOM 699 N THR A 73 14.929 2.517 -0.396 1.00 0.14 N ATOM 700 CA THR A 73 15.769 1.426 0.041 1.00 0.15 C ATOM 701 C THR A 73 14.896 0.288 0.541 1.00 0.15 C ATOM 702 O THR A 73 13.674 0.446 0.629 1.00 0.16 O ATOM 703 CB THR A 73 16.697 1.887 1.177 1.00 0.18 C ATOM 704 OG1 THR A 73 15.903 2.389 2.263 1.00 0.19 O ATOM 705 CG2 THR A 73 17.647 2.977 0.703 1.00 0.21 C ATOM 0 H THR A 73 14.690 3.183 0.339 1.00 0.14 H new ATOM 0 HA THR A 73 16.376 1.090 -0.800 1.00 0.15 H new ATOM 0 HB THR A 73 17.290 1.033 1.505 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.491 2.682 2.990 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.291 3.283 1.528 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.260 2.595 -0.113 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.072 3.835 0.355 1.00 0.21 H new ATOM 713 N GLU A 74 15.501 -0.838 0.897 1.00 0.17 N ATOM 714 CA GLU A 74 14.747 -1.951 1.468 1.00 0.20 C ATOM 715 C GLU A 74 14.045 -1.495 2.739 1.00 0.19 C ATOM 716 O GLU A 74 12.945 -1.945 3.062 1.00 0.28 O ATOM 717 CB GLU A 74 15.675 -3.121 1.793 1.00 0.29 C ATOM 718 CG GLU A 74 16.386 -3.695 0.583 1.00 1.25 C ATOM 719 CD GLU A 74 17.402 -4.746 0.967 1.00 1.79 C ATOM 720 OE1 GLU A 74 17.033 -5.934 1.059 1.00 2.67 O ATOM 721 OE2 GLU A 74 18.578 -4.385 1.193 1.00 1.99 O ATOM 0 H GLU A 74 16.503 -1.006 0.802 1.00 0.17 H new ATOM 0 HA GLU A 74 14.009 -2.281 0.736 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.420 -2.791 2.517 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.095 -3.911 2.270 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.652 -4.131 -0.095 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.884 -2.891 0.040 1.00 1.25 H new ATOM 728 N THR A 75 14.682 -0.564 3.433 1.00 0.18 N ATOM 729 CA THR A 75 14.170 -0.053 4.687 1.00 0.21 C ATOM 730 C THR A 75 12.969 0.855 4.446 1.00 0.17 C ATOM 731 O THR A 75 11.988 0.808 5.184 1.00 0.20 O ATOM 732 CB THR A 75 15.261 0.738 5.421 1.00 0.29 C ATOM 733 OG1 THR A 75 16.534 0.137 5.164 1.00 0.47 O ATOM 734 CG2 THR A 75 15.003 0.763 6.919 1.00 0.47 C ATOM 0 H THR A 75 15.565 -0.145 3.141 1.00 0.18 H new ATOM 0 HA THR A 75 13.860 -0.901 5.298 1.00 0.21 H new ATOM 0 HB THR A 75 15.251 1.765 5.055 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.234 0.641 5.630 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.791 1.330 7.415 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.040 1.234 7.114 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.993 -0.257 7.304 1.00 0.47 H new ATOM 742 N HIS A 76 13.047 1.661 3.388 1.00 0.14 N ATOM 743 CA HIS A 76 11.998 2.630 3.084 1.00 0.12 C ATOM 744 C HIS A 76 10.764 1.931 2.523 1.00 0.10 C ATOM 745 O HIS A 76 9.632 2.259 2.887 1.00 0.10 O ATOM 746 CB HIS A 76 12.508 3.700 2.112 1.00 0.14 C ATOM 747 CG HIS A 76 13.512 4.627 2.721 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.649 5.066 3.994 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.520 5.234 2.002 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.724 5.914 4.017 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.231 6.000 2.803 1.00 0.19 N flip ATOM 0 H HIS A 76 13.825 1.661 2.728 1.00 0.14 H new ATOM 0 HA HIS A 76 11.715 3.126 4.012 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.955 3.211 1.247 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.662 4.282 1.747 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.699 5.102 0.945 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.097 6.430 4.890 1.00 0.22 H new ATOM 0 HE2 HIS A 76 16.036 6.564 2.531 1.00 0.19 H new ATOM 760 N VAL A 77 10.992 0.955 1.650 1.00 0.09 N ATOM 761 CA VAL A 77 9.919 0.193 1.059 1.00 0.07 C ATOM 762 C VAL A 77 9.177 -0.572 2.144 1.00 0.08 C ATOM 763 O VAL A 77 7.972 -0.420 2.301 1.00 0.08 O ATOM 764 CB VAL A 77 10.453 -0.783 -0.020 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.399 -1.813 -0.388 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.914 -0.019 -1.262 1.00 0.08 C ATOM 0 H VAL A 77 11.923 0.678 1.339 1.00 0.09 H new ATOM 0 HA VAL A 77 9.232 0.884 0.571 1.00 0.07 H new ATOM 0 HB VAL A 77 11.312 -1.309 0.397 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.798 -2.486 -1.147 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.125 -2.386 0.498 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.517 -1.307 -0.780 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.285 -0.724 -2.006 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.075 0.540 -1.678 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.711 0.673 -0.989 1.00 0.08 H new ATOM 776 N ARG A 78 9.917 -1.348 2.930 1.00 0.09 N ATOM 777 CA ARG A 78 9.315 -2.164 3.979 1.00 0.11 C ATOM 778 C ARG A 78 8.662 -1.310 5.062 1.00 0.10 C ATOM 779 O ARG A 78 7.728 -1.760 5.725 1.00 0.14 O ATOM 780 CB ARG A 78 10.347 -3.105 4.593 1.00 0.18 C ATOM 781 CG ARG A 78 10.740 -4.240 3.663 1.00 0.37 C ATOM 782 CD ARG A 78 11.612 -5.267 4.361 1.00 0.40 C ATOM 783 NE ARG A 78 12.930 -4.742 4.704 1.00 1.11 N ATOM 784 CZ ARG A 78 14.055 -5.442 4.577 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.022 -6.674 4.078 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.215 -4.918 4.942 1.00 2.21 N ATOM 0 H ARG A 78 10.931 -1.429 2.861 1.00 0.09 H new ATOM 0 HA ARG A 78 8.531 -2.760 3.512 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.237 -2.535 4.859 1.00 0.18 H new ATOM 0 HB3 ARG A 78 9.947 -3.522 5.517 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.841 -4.725 3.282 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.273 -3.836 2.802 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.112 -5.606 5.268 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.728 -6.138 3.716 1.00 0.40 H new ATOM 0 HE ARG A 78 12.992 -3.788 5.060 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.133 -7.085 3.792 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.885 -7.208 3.982 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.250 -3.973 5.323 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.073 -5.460 4.842 1.00 2.21 H new ATOM 800 N ASP A 79 9.147 -0.087 5.231 1.00 0.11 N ATOM 801 CA ASP A 79 8.556 0.855 6.181 1.00 0.12 C ATOM 802 C ASP A 79 7.118 1.130 5.788 1.00 0.11 C ATOM 803 O ASP A 79 6.175 0.929 6.563 1.00 0.12 O ATOM 804 CB ASP A 79 9.331 2.171 6.170 1.00 0.16 C ATOM 805 CG ASP A 79 9.382 2.825 7.536 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.446 3.561 7.887 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.371 2.594 8.268 1.00 0.95 O ATOM 0 H ASP A 79 9.951 0.280 4.722 1.00 0.11 H new ATOM 0 HA ASP A 79 8.596 0.420 7.180 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.347 1.988 5.820 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.868 2.856 5.460 1.00 0.16 H new ATOM 812 N TRP A 80 6.958 1.526 4.538 1.00 0.10 N ATOM 813 CA TRP A 80 5.664 1.845 3.986 1.00 0.09 C ATOM 814 C TRP A 80 4.848 0.571 3.826 1.00 0.09 C ATOM 815 O TRP A 80 3.616 0.574 3.933 1.00 0.09 O ATOM 816 CB TRP A 80 5.893 2.532 2.641 1.00 0.09 C ATOM 817 CG TRP A 80 4.803 2.336 1.651 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.714 3.123 1.455 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.717 1.274 0.702 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.956 2.614 0.433 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.555 1.476 -0.042 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.521 0.172 0.412 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.169 0.615 -1.060 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.138 -0.683 -0.595 1.00 0.11 C ATOM 825 CH2 TRP A 80 3.973 -0.456 -1.324 1.00 0.10 C ATOM 0 H TRP A 80 7.729 1.634 3.879 1.00 0.10 H new ATOM 0 HA TRP A 80 5.106 2.510 4.645 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.023 3.601 2.812 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.825 2.162 2.213 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.481 4.014 2.019 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.087 3.017 0.082 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.429 -0.007 0.969 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.264 0.787 -1.624 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.750 -1.543 -0.824 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.701 -1.141 -2.113 1.00 0.10 H new ATOM 836 N VAL A 81 5.573 -0.517 3.606 1.00 0.10 N ATOM 837 CA VAL A 81 4.995 -1.831 3.425 1.00 0.11 C ATOM 838 C VAL A 81 4.243 -2.235 4.682 1.00 0.11 C ATOM 839 O VAL A 81 3.040 -2.482 4.660 1.00 0.11 O ATOM 840 CB VAL A 81 6.113 -2.859 3.099 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.772 -4.264 3.551 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.411 -2.865 1.613 1.00 0.14 C ATOM 0 H VAL A 81 6.591 -0.506 3.548 1.00 0.10 H new ATOM 0 HA VAL A 81 4.294 -1.809 2.591 1.00 0.11 H new ATOM 0 HB VAL A 81 6.995 -2.541 3.655 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.591 -4.937 3.296 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.619 -4.272 4.630 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.861 -4.596 3.053 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.197 -3.591 1.402 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.510 -3.135 1.062 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.741 -1.873 1.304 1.00 0.14 H new ATOM 852 N MET A 82 4.954 -2.258 5.785 1.00 0.11 N ATOM 853 CA MET A 82 4.364 -2.627 7.048 1.00 0.12 C ATOM 854 C MET A 82 3.416 -1.557 7.573 1.00 0.11 C ATOM 855 O MET A 82 2.668 -1.825 8.500 1.00 0.12 O ATOM 856 CB MET A 82 5.430 -2.981 8.081 1.00 0.15 C ATOM 857 CG MET A 82 6.330 -1.827 8.481 1.00 0.13 C ATOM 858 SD MET A 82 7.697 -2.353 9.535 1.00 0.49 S ATOM 859 CE MET A 82 6.816 -3.288 10.784 1.00 0.42 C ATOM 0 H MET A 82 5.946 -2.024 5.832 1.00 0.11 H new ATOM 0 HA MET A 82 3.767 -3.521 6.869 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.938 -3.367 8.974 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.048 -3.786 7.684 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.728 -1.353 7.584 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.740 -1.074 9.004 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.498 -3.545 11.595 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.995 -2.688 11.177 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.418 -4.201 10.342 1.00 0.42 H new ATOM 869 N TRP A 83 3.442 -0.342 7.025 1.00 0.09 N ATOM 870 CA TRP A 83 2.519 0.678 7.509 1.00 0.09 C ATOM 871 C TRP A 83 1.082 0.372 7.097 1.00 0.09 C ATOM 872 O TRP A 83 0.220 0.203 7.954 1.00 0.11 O ATOM 873 CB TRP A 83 2.905 2.080 7.030 1.00 0.09 C ATOM 874 CG TRP A 83 1.926 3.119 7.471 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.902 3.764 8.668 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.820 3.625 6.717 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.856 4.651 8.702 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.176 4.583 7.516 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.321 3.363 5.440 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.945 5.279 7.077 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.790 4.051 5.009 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.409 5.000 5.822 1.00 0.15 C ATOM 0 H TRP A 83 4.067 -0.049 6.274 1.00 0.09 H new ATOM 0 HA TRP A 83 2.586 0.659 8.597 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.895 2.332 7.410 1.00 0.09 H new ATOM 0 HB3 TRP A 83 2.971 2.085 5.942 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.603 3.602 9.473 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.623 5.262 9.485 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.798 2.634 4.802 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.431 6.012 7.704 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.189 3.853 4.025 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.276 5.527 5.451 1.00 0.15 H new ATOM 893 N ALA A 84 0.803 0.286 5.802 1.00 0.09 N ATOM 894 CA ALA A 84 -0.563 -0.010 5.387 1.00 0.10 C ATOM 895 C ALA A 84 -0.949 -1.369 5.941 1.00 0.10 C ATOM 896 O ALA A 84 -2.091 -1.611 6.320 1.00 0.12 O ATOM 897 CB ALA A 84 -0.731 0.041 3.873 1.00 0.12 C ATOM 0 H ALA A 84 1.476 0.412 5.046 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.228 0.756 5.786 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.765 -0.186 3.614 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.477 1.038 3.512 1.00 0.12 H new ATOM 0 HB3 ALA A 84 -0.071 -0.692 3.409 1.00 0.12 H new ATOM 903 N VAL A 85 0.051 -2.236 6.019 1.00 0.10 N ATOM 904 CA VAL A 85 -0.081 -3.518 6.675 1.00 0.11 C ATOM 905 C VAL A 85 -0.495 -3.374 8.146 1.00 0.13 C ATOM 906 O VAL A 85 -1.537 -3.880 8.535 1.00 0.14 O ATOM 907 CB VAL A 85 1.236 -4.328 6.551 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.367 -5.376 7.644 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.316 -4.989 5.188 1.00 0.14 C ATOM 0 H VAL A 85 0.977 -2.064 5.626 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.879 -4.063 6.170 1.00 0.11 H new ATOM 0 HB VAL A 85 2.062 -3.626 6.667 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.304 -5.919 7.517 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.359 -4.888 8.619 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.532 -6.074 7.581 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.244 -5.555 5.112 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.469 -5.663 5.060 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.292 -4.225 4.411 1.00 0.14 H new ATOM 919 N ASN A 86 0.294 -2.676 8.955 1.00 0.15 N ATOM 920 CA ASN A 86 0.067 -2.667 10.402 1.00 0.19 C ATOM 921 C ASN A 86 -1.215 -1.936 10.796 1.00 0.23 C ATOM 922 O ASN A 86 -1.778 -2.195 11.859 1.00 0.27 O ATOM 923 CB ASN A 86 1.277 -2.123 11.172 1.00 0.23 C ATOM 924 CG ASN A 86 1.285 -0.618 11.391 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.842 0.142 10.414 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.712 -0.141 12.443 1.00 0.32 N flip ATOM 0 H ASN A 86 1.087 -2.115 8.643 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.065 -3.710 10.690 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.320 -2.615 12.144 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.184 -2.400 10.634 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.049 -0.757 13.183 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.729 0.870 12.575 1.00 0.32 H new ATOM 933 N GLU A 87 -1.691 -1.046 9.939 1.00 0.24 N ATOM 934 CA GLU A 87 -2.925 -0.325 10.213 1.00 0.31 C ATOM 935 C GLU A 87 -4.090 -1.246 9.927 1.00 0.28 C ATOM 936 O GLU A 87 -5.081 -1.297 10.657 1.00 0.35 O ATOM 937 CB GLU A 87 -3.025 0.925 9.342 1.00 0.38 C ATOM 938 CG GLU A 87 -1.932 1.936 9.614 1.00 1.23 C ATOM 939 CD GLU A 87 -2.004 2.503 11.016 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.962 3.247 11.310 1.00 1.08 O ATOM 941 OE2 GLU A 87 -1.108 2.204 11.830 1.00 2.15 O ATOM 0 H GLU A 87 -1.245 -0.806 9.053 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.938 -0.010 11.257 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.986 0.632 8.293 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.994 1.396 9.505 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -0.960 1.465 9.465 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -2.006 2.749 8.892 1.00 1.23 H new ATOM 948 N PHE A 88 -3.933 -1.974 8.839 1.00 0.23 N ATOM 949 CA PHE A 88 -4.913 -2.930 8.373 1.00 0.23 C ATOM 950 C PHE A 88 -4.792 -4.256 9.103 1.00 0.25 C ATOM 951 O PHE A 88 -5.563 -5.187 8.858 1.00 0.30 O ATOM 952 CB PHE A 88 -4.696 -3.133 6.887 1.00 0.24 C ATOM 953 CG PHE A 88 -5.373 -2.083 6.068 1.00 0.28 C ATOM 954 CD1 PHE A 88 -5.012 -0.760 6.198 1.00 0.42 C ATOM 955 CD2 PHE A 88 -6.348 -2.424 5.149 1.00 0.41 C ATOM 956 CE1 PHE A 88 -5.613 0.211 5.431 1.00 0.50 C ATOM 957 CE2 PHE A 88 -6.947 -1.461 4.374 1.00 0.47 C ATOM 958 CZ PHE A 88 -6.672 -0.142 4.589 1.00 0.45 C ATOM 0 H PHE A 88 -3.106 -1.915 8.245 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.914 -2.545 8.570 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.627 -3.125 6.673 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.071 -4.115 6.598 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -4.249 -0.482 6.910 1.00 0.42 H new ATOM 0 HD2 PHE A 88 -6.642 -3.458 5.039 1.00 0.41 H new ATOM 0 HE1 PHE A 88 -5.271 1.234 5.479 1.00 0.50 H new ATOM 0 HE2 PHE A 88 -7.636 -1.748 3.594 1.00 0.47 H new ATOM 0 HZ PHE A 88 -7.267 0.623 4.113 1.00 0.45 H new ATOM 968 N SER A 89 -3.802 -4.327 9.988 1.00 0.27 N ATOM 969 CA SER A 89 -3.512 -5.536 10.745 1.00 0.34 C ATOM 970 C SER A 89 -3.144 -6.685 9.807 1.00 0.36 C ATOM 971 O SER A 89 -3.473 -7.843 10.059 1.00 0.48 O ATOM 972 CB SER A 89 -4.703 -5.915 11.632 1.00 0.45 C ATOM 973 OG SER A 89 -5.047 -4.846 12.498 1.00 1.07 O ATOM 0 H SER A 89 -3.180 -3.547 10.199 1.00 0.27 H new ATOM 0 HA SER A 89 -2.656 -5.340 11.391 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.559 -6.173 11.008 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.458 -6.800 12.219 1.00 0.45 H new ATOM 0 HG SER A 89 -5.810 -5.108 13.054 1.00 1.07 H new ATOM 979 N LEU A 90 -2.425 -6.359 8.733 1.00 0.31 N ATOM 980 CA LEU A 90 -1.988 -7.352 7.755 1.00 0.40 C ATOM 981 C LEU A 90 -0.704 -7.989 8.229 1.00 0.59 C ATOM 982 O LEU A 90 -0.074 -8.721 7.474 1.00 1.23 O ATOM 983 CB LEU A 90 -1.705 -6.694 6.400 1.00 0.33 C ATOM 984 CG LEU A 90 -2.692 -5.613 5.980 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.218 -4.973 4.692 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.088 -6.202 5.814 1.00 0.27 C ATOM 0 H LEU A 90 -2.131 -5.406 8.518 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.781 -8.092 7.648 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.706 -6.259 6.428 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.694 -7.469 5.634 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.743 -4.849 6.756 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.923 -4.199 4.389 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.235 -4.528 4.847 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.154 -5.731 3.911 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.781 -5.416 5.514 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.067 -6.979 5.050 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.416 -6.633 6.760 1.00 0.27 H new ATOM 998 N LYS A 91 -0.314 -7.612 9.452 1.00 0.24 N ATOM 999 CA LYS A 91 0.927 -8.029 10.126 1.00 0.39 C ATOM 1000 C LYS A 91 1.249 -9.530 10.035 1.00 0.26 C ATOM 1001 O LYS A 91 1.239 -10.255 11.030 1.00 0.39 O ATOM 1002 CB LYS A 91 0.850 -7.578 11.589 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.443 -7.984 12.286 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.777 -7.059 13.447 1.00 1.49 C ATOM 1005 CE LYS A 91 0.272 -7.119 14.544 1.00 1.91 C ATOM 1006 NZ LYS A 91 0.376 -8.475 15.145 1.00 2.48 N ATOM 0 H LYS A 91 -0.876 -6.982 10.025 1.00 0.24 H new ATOM 0 HA LYS A 91 1.751 -7.548 9.599 1.00 0.39 H new ATOM 0 HB2 LYS A 91 1.695 -7.998 12.135 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.951 -6.494 11.632 1.00 0.78 H new ATOM 0 HG2 LYS A 91 -1.262 -7.974 11.567 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.353 -9.007 12.651 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.861 -6.035 13.082 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.748 -7.331 13.859 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.240 -6.829 14.136 1.00 1.91 H new ATOM 0 HE3 LYS A 91 0.025 -6.396 15.322 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.946 -8.427 16.013 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -0.575 -8.827 15.375 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.830 -9.121 14.468 1.00 2.48 H new ATOM 1020 N GLY A 92 1.508 -9.978 8.827 1.00 0.26 N ATOM 1021 CA GLY A 92 2.111 -11.256 8.575 1.00 0.31 C ATOM 1022 C GLY A 92 2.798 -11.196 7.234 1.00 0.31 C ATOM 1023 O GLY A 92 2.830 -12.167 6.479 1.00 0.47 O ATOM 0 H GLY A 92 1.299 -9.450 7.980 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.828 -11.499 9.359 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.355 -12.041 8.580 1.00 0.31 H new ATOM 1027 N VAL A 93 3.330 -10.014 6.940 1.00 0.21 N ATOM 1028 CA VAL A 93 4.016 -9.754 5.698 1.00 0.21 C ATOM 1029 C VAL A 93 5.413 -10.349 5.746 1.00 0.20 C ATOM 1030 O VAL A 93 6.120 -10.218 6.747 1.00 0.22 O ATOM 1031 CB VAL A 93 4.055 -8.225 5.425 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.458 -7.718 5.135 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.142 -7.891 4.268 1.00 0.23 C ATOM 0 H VAL A 93 3.292 -9.210 7.567 1.00 0.21 H new ATOM 0 HA VAL A 93 3.478 -10.227 4.876 1.00 0.21 H new ATOM 0 HB VAL A 93 3.714 -7.726 6.332 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.426 -6.644 4.952 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.102 -7.921 5.990 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.853 -8.225 4.255 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.172 -6.818 4.079 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.473 -8.425 3.377 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.122 -8.188 4.512 1.00 0.23 H new ATOM 1043 N ASP A 94 5.794 -11.038 4.684 1.00 0.21 N ATOM 1044 CA ASP A 94 7.140 -11.558 4.582 1.00 0.24 C ATOM 1045 C ASP A 94 8.049 -10.434 4.153 1.00 0.21 C ATOM 1046 O ASP A 94 8.146 -10.127 2.967 1.00 0.20 O ATOM 1047 CB ASP A 94 7.218 -12.714 3.582 1.00 0.32 C ATOM 1048 CG ASP A 94 7.172 -14.074 4.247 1.00 1.02 C ATOM 1049 OD1 ASP A 94 6.063 -14.584 4.502 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.253 -14.649 4.502 1.00 1.10 O ATOM 0 H ASP A 94 5.193 -11.247 3.887 1.00 0.21 H new ATOM 0 HA ASP A 94 7.449 -11.949 5.551 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.392 -12.633 2.876 1.00 0.32 H new ATOM 0 HB3 ASP A 94 8.140 -12.628 3.006 1.00 0.32 H new ATOM 1055 N PHE A 95 8.695 -9.805 5.120 1.00 0.23 N ATOM 1056 CA PHE A 95 9.553 -8.660 4.850 1.00 0.24 C ATOM 1057 C PHE A 95 10.688 -9.054 3.909 1.00 0.23 C ATOM 1058 O PHE A 95 11.292 -8.211 3.246 1.00 0.28 O ATOM 1059 CB PHE A 95 10.131 -8.103 6.154 1.00 0.29 C ATOM 1060 CG PHE A 95 9.097 -7.545 7.088 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.415 -8.371 7.967 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.811 -6.190 7.086 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.464 -7.856 8.826 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.863 -5.670 7.944 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.188 -6.504 8.814 1.00 0.61 C ATOM 0 H PHE A 95 8.642 -10.068 6.104 1.00 0.23 H new ATOM 0 HA PHE A 95 8.950 -7.888 4.373 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.678 -8.895 6.665 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.851 -7.320 5.916 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.630 -9.429 7.981 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.335 -5.534 6.407 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.938 -8.510 9.506 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.649 -4.611 7.935 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.445 -6.098 9.484 1.00 0.61 H new ATOM 1075 N GLN A 96 10.971 -10.346 3.870 1.00 0.21 N ATOM 1076 CA GLN A 96 11.981 -10.885 2.973 1.00 0.24 C ATOM 1077 C GLN A 96 11.437 -11.015 1.560 1.00 0.21 C ATOM 1078 O GLN A 96 12.179 -10.872 0.590 1.00 0.25 O ATOM 1079 CB GLN A 96 12.482 -12.239 3.464 1.00 0.33 C ATOM 1080 CG GLN A 96 13.319 -12.152 4.731 1.00 1.06 C ATOM 1081 CD GLN A 96 14.501 -11.202 4.606 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.075 -11.094 3.414 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 14.906 -10.579 5.584 1.00 1.93 N flip ATOM 0 H GLN A 96 10.512 -11.045 4.453 1.00 0.21 H new ATOM 0 HA GLN A 96 12.819 -10.187 2.963 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.627 -12.890 3.647 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.075 -12.705 2.677 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.685 -11.826 5.556 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.686 -13.146 4.985 1.00 1.06 H new ATOM 0 HE21 GLN A 96 14.441 -10.686 6.485 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.708 -9.955 5.495 1.00 1.93 H new ATOM 1092 N LYS A 97 10.143 -11.273 1.438 1.00 0.18 N ATOM 1093 CA LYS A 97 9.517 -11.341 0.132 1.00 0.19 C ATOM 1094 C LYS A 97 9.323 -9.917 -0.346 1.00 0.17 C ATOM 1095 O LYS A 97 9.289 -9.636 -1.539 1.00 0.20 O ATOM 1096 CB LYS A 97 8.174 -12.078 0.205 1.00 0.23 C ATOM 1097 CG LYS A 97 7.859 -12.928 -1.020 1.00 0.26 C ATOM 1098 CD LYS A 97 7.523 -12.082 -2.236 1.00 0.25 C ATOM 1099 CE LYS A 97 7.255 -12.939 -3.463 1.00 0.38 C ATOM 1100 NZ LYS A 97 6.229 -13.986 -3.205 1.00 1.43 N ATOM 0 H LYS A 97 9.513 -11.437 2.223 1.00 0.18 H new ATOM 0 HA LYS A 97 10.145 -11.898 -0.563 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.171 -12.718 1.087 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.378 -11.346 0.340 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.714 -13.565 -1.248 1.00 0.26 H new ATOM 0 HG3 LYS A 97 7.021 -13.588 -0.796 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.647 -11.470 -2.022 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.347 -11.399 -2.443 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.923 -12.302 -4.283 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.183 -13.413 -3.783 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 5.648 -14.120 -4.057 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 6.700 -14.881 -2.963 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.621 -13.689 -2.415 1.00 1.43 H new ATOM 1114 N PHE A 98 9.254 -9.020 0.626 1.00 0.16 N ATOM 1115 CA PHE A 98 9.134 -7.600 0.377 1.00 0.16 C ATOM 1116 C PHE A 98 10.507 -6.959 0.226 1.00 0.20 C ATOM 1117 O PHE A 98 10.681 -5.768 0.489 1.00 0.22 O ATOM 1118 CB PHE A 98 8.374 -6.933 1.516 1.00 0.15 C ATOM 1119 CG PHE A 98 6.895 -6.982 1.333 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.176 -8.054 1.823 1.00 0.13 C ATOM 1121 CD2 PHE A 98 6.218 -5.964 0.687 1.00 0.11 C ATOM 1122 CE1 PHE A 98 4.813 -8.119 1.667 1.00 0.13 C ATOM 1123 CE2 PHE A 98 4.852 -6.021 0.536 1.00 0.11 C ATOM 1124 CZ PHE A 98 4.155 -7.044 0.965 1.00 0.12 C ATOM 0 H PHE A 98 9.280 -9.264 1.616 1.00 0.16 H new ATOM 0 HA PHE A 98 8.584 -7.461 -0.553 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.635 -7.421 2.455 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.691 -5.893 1.598 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.692 -8.852 2.336 1.00 0.13 H new ATOM 0 HD2 PHE A 98 6.766 -5.118 0.298 1.00 0.11 H new ATOM 0 HE1 PHE A 98 4.249 -8.952 2.059 1.00 0.13 H new ATOM 0 HE2 PHE A 98 4.341 -5.202 0.052 1.00 0.11 H new ATOM 0 HZ PHE A 98 3.089 -7.083 0.793 1.00 0.12 H new ATOM 1134 N CYS A 99 11.488 -7.760 -0.176 1.00 0.26 N ATOM 1135 CA CYS A 99 12.827 -7.259 -0.418 1.00 0.31 C ATOM 1136 C CYS A 99 12.857 -6.459 -1.712 1.00 0.23 C ATOM 1137 O CYS A 99 13.276 -6.958 -2.760 1.00 0.27 O ATOM 1138 CB CYS A 99 13.801 -8.429 -0.525 1.00 0.45 C ATOM 1139 SG CYS A 99 15.551 -7.967 -0.553 1.00 1.20 S ATOM 0 H CYS A 99 11.376 -8.760 -0.340 1.00 0.26 H new ATOM 0 HA CYS A 99 13.119 -6.614 0.411 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.632 -9.101 0.316 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.574 -8.989 -1.432 1.00 0.45 H new ATOM 0 HG CYS A 99 15.758 -6.999 0.290 1.00 1.20 H new ATOM 1145 N MET A 100 12.394 -5.226 -1.646 1.00 0.19 N ATOM 1146 CA MET A 100 12.486 -4.336 -2.776 1.00 0.16 C ATOM 1147 C MET A 100 13.264 -3.097 -2.435 1.00 0.17 C ATOM 1148 O MET A 100 13.072 -2.489 -1.381 1.00 0.20 O ATOM 1149 CB MET A 100 11.109 -3.895 -3.289 1.00 0.22 C ATOM 1150 CG MET A 100 10.386 -4.930 -4.124 1.00 0.22 C ATOM 1151 SD MET A 100 9.532 -6.151 -3.113 1.00 0.13 S ATOM 1152 CE MET A 100 8.401 -5.102 -2.202 1.00 0.18 C ATOM 0 H MET A 100 11.951 -4.822 -0.820 1.00 0.19 H new ATOM 0 HA MET A 100 12.996 -4.905 -3.554 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.484 -3.635 -2.435 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.230 -2.989 -3.882 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.666 -4.431 -4.773 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.102 -5.435 -4.772 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.630 -5.158 -1.138 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.506 -4.072 -2.542 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.378 -5.437 -2.371 1.00 0.18 H new ATOM 1162 N SER A 101 14.155 -2.745 -3.324 1.00 0.16 N ATOM 1163 CA SER A 101 14.588 -1.384 -3.422 1.00 0.18 C ATOM 1164 C SER A 101 13.439 -0.652 -4.090 1.00 0.14 C ATOM 1165 O SER A 101 12.683 -1.284 -4.808 1.00 0.15 O ATOM 1166 CB SER A 101 15.878 -1.275 -4.239 1.00 0.24 C ATOM 1167 OG SER A 101 15.765 -1.978 -5.465 1.00 1.26 O ATOM 0 H SER A 101 14.592 -3.384 -3.988 1.00 0.16 H new ATOM 0 HA SER A 101 14.822 -0.956 -2.447 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.100 -0.226 -4.436 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.712 -1.674 -3.662 1.00 0.24 H new ATOM 0 HG SER A 101 16.601 -1.892 -5.970 1.00 1.26 H new ATOM 1173 N GLY A 102 13.245 0.612 -3.830 1.00 0.13 N ATOM 1174 CA GLY A 102 12.072 1.280 -4.345 1.00 0.14 C ATOM 1175 C GLY A 102 11.894 1.153 -5.849 1.00 0.14 C ATOM 1176 O GLY A 102 10.764 1.045 -6.333 1.00 0.16 O ATOM 0 H GLY A 102 13.870 1.196 -3.274 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.190 0.874 -3.850 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.126 2.337 -4.085 1.00 0.14 H new ATOM 1180 N ALA A 103 12.995 1.175 -6.589 1.00 0.17 N ATOM 1181 CA ALA A 103 12.946 0.946 -8.025 1.00 0.21 C ATOM 1182 C ALA A 103 12.345 -0.424 -8.307 1.00 0.21 C ATOM 1183 O ALA A 103 11.547 -0.597 -9.228 1.00 0.25 O ATOM 1184 CB ALA A 103 14.337 1.063 -8.628 1.00 0.26 C ATOM 0 H ALA A 103 13.930 1.349 -6.219 1.00 0.17 H new ATOM 0 HA ALA A 103 12.315 1.705 -8.487 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.283 0.889 -9.703 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.732 2.062 -8.441 1.00 0.26 H new ATOM 0 HB3 ALA A 103 14.994 0.322 -8.173 1.00 0.26 H new ATOM 1190 N ALA A 104 12.710 -1.384 -7.471 1.00 0.19 N ATOM 1191 CA ALA A 104 12.165 -2.724 -7.546 1.00 0.20 C ATOM 1192 C ALA A 104 10.720 -2.719 -7.077 1.00 0.16 C ATOM 1193 O ALA A 104 9.861 -3.357 -7.692 1.00 0.17 O ATOM 1194 CB ALA A 104 12.994 -3.680 -6.704 1.00 0.22 C ATOM 0 H ALA A 104 13.392 -1.253 -6.724 1.00 0.19 H new ATOM 0 HA ALA A 104 12.198 -3.063 -8.581 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.572 -4.683 -6.770 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.020 -3.693 -7.072 1.00 0.22 H new ATOM 0 HB3 ALA A 104 12.985 -3.351 -5.665 1.00 0.22 H new ATOM 1200 N LEU A 105 10.454 -2.004 -5.973 1.00 0.12 N ATOM 1201 CA LEU A 105 9.105 -1.820 -5.459 1.00 0.09 C ATOM 1202 C LEU A 105 8.144 -1.404 -6.546 1.00 0.12 C ATOM 1203 O LEU A 105 7.060 -1.924 -6.673 1.00 0.13 O ATOM 1204 CB LEU A 105 9.083 -0.731 -4.380 1.00 0.09 C ATOM 1205 CG LEU A 105 7.701 -0.516 -3.791 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.272 -1.737 -3.007 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.656 0.718 -2.929 1.00 0.14 C ATOM 0 H LEU A 105 11.174 -1.541 -5.418 1.00 0.12 H new ATOM 0 HA LEU A 105 8.797 -2.780 -5.046 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.775 -1.002 -3.583 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.441 0.206 -4.808 1.00 0.09 H new ATOM 0 HG LEU A 105 7.002 -0.365 -4.613 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.279 -1.571 -2.589 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.247 -2.604 -3.668 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.980 -1.918 -2.198 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.652 0.842 -2.523 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.368 0.616 -2.110 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.915 1.590 -3.529 1.00 0.14 H new ATOM 1219 N CYS A 106 8.530 -0.392 -7.248 1.00 0.21 N ATOM 1220 CA CYS A 106 7.760 0.112 -8.353 1.00 0.31 C ATOM 1221 C CYS A 106 7.634 -0.914 -9.481 1.00 0.34 C ATOM 1222 O CYS A 106 6.532 -1.192 -9.957 1.00 0.40 O ATOM 1223 CB CYS A 106 8.425 1.383 -8.859 1.00 0.39 C ATOM 1224 SG CYS A 106 7.502 2.262 -10.142 1.00 0.74 S ATOM 0 H CYS A 106 9.396 0.119 -7.075 1.00 0.21 H new ATOM 0 HA CYS A 106 6.747 0.323 -8.010 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.579 2.056 -8.016 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.411 1.130 -9.249 1.00 0.39 H new ATOM 0 HG CYS A 106 6.680 1.441 -10.725 1.00 0.74 H new ATOM 1230 N ALA A 107 8.761 -1.482 -9.890 1.00 0.33 N ATOM 1231 CA ALA A 107 8.821 -2.332 -11.076 1.00 0.41 C ATOM 1232 C ALA A 107 7.997 -3.619 -10.965 1.00 0.38 C ATOM 1233 O ALA A 107 7.643 -4.204 -11.990 1.00 0.46 O ATOM 1234 CB ALA A 107 10.268 -2.672 -11.385 1.00 0.47 C ATOM 0 H ALA A 107 9.656 -1.369 -9.413 1.00 0.33 H new ATOM 0 HA ALA A 107 8.375 -1.758 -11.888 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.312 -3.306 -12.270 1.00 0.47 H new ATOM 0 HB2 ALA A 107 10.826 -1.754 -11.569 1.00 0.47 H new ATOM 0 HB3 ALA A 107 10.706 -3.200 -10.538 1.00 0.47 H new ATOM 1240 N LEU A 108 7.705 -4.077 -9.749 1.00 0.29 N ATOM 1241 CA LEU A 108 6.984 -5.340 -9.580 1.00 0.26 C ATOM 1242 C LEU A 108 5.596 -5.326 -10.231 1.00 0.26 C ATOM 1243 O LEU A 108 5.180 -6.321 -10.830 1.00 0.28 O ATOM 1244 CB LEU A 108 6.883 -5.748 -8.093 1.00 0.21 C ATOM 1245 CG LEU A 108 6.643 -4.634 -7.070 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.254 -3.999 -7.204 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.853 -5.183 -5.672 1.00 0.19 C ATOM 0 H LEU A 108 7.951 -3.603 -8.880 1.00 0.29 H new ATOM 0 HA LEU A 108 7.576 -6.092 -10.102 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.075 -6.473 -7.997 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.805 -6.261 -7.821 1.00 0.21 H new ATOM 0 HG LEU A 108 7.362 -3.839 -7.266 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.138 -3.216 -6.455 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.146 -3.568 -8.199 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.489 -4.761 -7.054 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.683 -4.392 -4.941 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.153 -5.999 -5.493 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.874 -5.552 -5.576 1.00 0.19 H new ATOM 1259 N GLY A 109 4.887 -4.206 -10.130 1.00 0.27 N ATOM 1260 CA GLY A 109 3.505 -4.162 -10.579 1.00 0.32 C ATOM 1261 C GLY A 109 2.606 -4.998 -9.682 1.00 0.27 C ATOM 1262 O GLY A 109 3.101 -5.784 -8.869 1.00 0.23 O ATOM 0 H GLY A 109 5.242 -3.330 -9.747 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.156 -3.130 -10.587 1.00 0.32 H new ATOM 0 HA3 GLY A 109 3.441 -4.528 -11.604 1.00 0.32 H new ATOM 1266 N LYS A 110 1.291 -4.837 -9.800 1.00 0.33 N ATOM 1267 CA LYS A 110 0.367 -5.623 -8.985 1.00 0.36 C ATOM 1268 C LYS A 110 0.591 -7.112 -9.233 1.00 0.26 C ATOM 1269 O LYS A 110 0.449 -7.925 -8.322 1.00 0.30 O ATOM 1270 CB LYS A 110 -1.099 -5.225 -9.243 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.813 -6.020 -10.330 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.903 -6.907 -9.741 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.467 -8.367 -9.605 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.479 -9.083 -10.909 1.00 0.67 N ATOM 0 H LYS A 110 0.845 -4.181 -10.441 1.00 0.33 H new ATOM 0 HA LYS A 110 0.571 -5.411 -7.935 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.656 -5.334 -8.312 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -1.129 -4.169 -9.511 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.251 -5.335 -11.056 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.091 -6.635 -10.867 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -3.187 -6.524 -8.761 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.790 -6.854 -10.373 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.464 -8.406 -9.181 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.129 -8.878 -8.906 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -2.377 -10.105 -10.745 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.378 -8.899 -11.398 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -1.690 -8.746 -11.497 1.00 0.67 H new ATOM 1288 N GLU A 111 0.956 -7.451 -10.470 1.00 0.25 N ATOM 1289 CA GLU A 111 1.283 -8.826 -10.848 1.00 0.31 C ATOM 1290 C GLU A 111 2.200 -9.480 -9.817 1.00 0.27 C ATOM 1291 O GLU A 111 1.887 -10.542 -9.279 1.00 0.39 O ATOM 1292 CB GLU A 111 1.979 -8.846 -12.217 1.00 0.48 C ATOM 1293 CG GLU A 111 1.273 -8.031 -13.293 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.153 -8.475 -13.530 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -1.059 -7.972 -12.839 1.00 2.54 O ATOM 1296 OE2 GLU A 111 -0.374 -9.335 -14.406 1.00 2.46 O ATOM 0 H GLU A 111 1.033 -6.782 -11.236 1.00 0.25 H new ATOM 0 HA GLU A 111 0.349 -9.387 -10.895 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.995 -8.469 -12.100 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.060 -9.879 -12.555 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.277 -6.979 -13.006 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.832 -8.109 -14.226 1.00 1.39 H new ATOM 1303 N CYS A 112 3.328 -8.844 -9.552 1.00 0.21 N ATOM 1304 CA CYS A 112 4.286 -9.370 -8.604 1.00 0.18 C ATOM 1305 C CYS A 112 3.844 -9.081 -7.178 1.00 0.15 C ATOM 1306 O CYS A 112 3.760 -9.987 -6.358 1.00 0.17 O ATOM 1307 CB CYS A 112 5.673 -8.784 -8.863 1.00 0.21 C ATOM 1308 SG CYS A 112 6.971 -9.445 -7.793 1.00 1.36 S ATOM 0 H CYS A 112 3.600 -7.961 -9.983 1.00 0.21 H new ATOM 0 HA CYS A 112 4.338 -10.451 -8.734 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.945 -8.970 -9.902 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.628 -7.703 -8.734 1.00 0.21 H new ATOM 0 HG CYS A 112 8.106 -8.887 -8.093 1.00 1.36 H new ATOM 1314 N PHE A 113 3.526 -7.814 -6.909 1.00 0.13 N ATOM 1315 CA PHE A 113 3.251 -7.348 -5.554 1.00 0.12 C ATOM 1316 C PHE A 113 2.169 -8.170 -4.848 1.00 0.13 C ATOM 1317 O PHE A 113 2.301 -8.502 -3.674 1.00 0.14 O ATOM 1318 CB PHE A 113 2.853 -5.866 -5.562 1.00 0.12 C ATOM 1319 CG PHE A 113 3.149 -5.183 -4.260 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.407 -5.491 -3.140 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.193 -4.270 -4.139 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.685 -4.912 -1.927 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.479 -3.696 -2.922 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.724 -4.015 -1.816 1.00 0.10 C ATOM 0 H PHE A 113 3.453 -7.088 -7.621 1.00 0.13 H new ATOM 0 HA PHE A 113 4.176 -7.478 -4.992 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.384 -5.355 -6.365 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.788 -5.781 -5.779 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.595 -6.198 -3.218 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.782 -4.011 -5.006 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.090 -5.160 -1.061 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.296 -2.995 -2.834 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.946 -3.562 -0.861 1.00 0.10 H new ATOM 1334 N LEU A 114 1.092 -8.493 -5.538 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.008 -9.186 -4.875 1.00 0.17 C ATOM 1336 C LEU A 114 0.322 -10.660 -4.689 1.00 0.22 C ATOM 1337 O LEU A 114 -0.240 -11.332 -3.827 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.331 -9.023 -5.613 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.574 -7.658 -6.266 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.054 -7.415 -6.421 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.946 -6.521 -5.487 1.00 0.50 C ATOM 0 H LEU A 114 0.951 -8.296 -6.529 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.131 -8.722 -3.896 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.389 -9.789 -6.387 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.142 -9.217 -4.911 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.096 -7.683 -7.246 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.216 -6.443 -6.886 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.487 -8.194 -7.049 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.530 -7.433 -5.441 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.149 -5.577 -5.994 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.368 -6.491 -4.482 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.131 -6.675 -5.424 1.00 0.50 H new ATOM 1353 N GLU A 115 1.236 -11.151 -5.511 1.00 0.22 N ATOM 1354 CA GLU A 115 1.800 -12.478 -5.325 1.00 0.28 C ATOM 1355 C GLU A 115 2.892 -12.410 -4.268 1.00 0.27 C ATOM 1356 O GLU A 115 3.372 -13.423 -3.756 1.00 0.37 O ATOM 1357 CB GLU A 115 2.405 -12.988 -6.628 1.00 0.37 C ATOM 1358 CG GLU A 115 1.384 -13.268 -7.715 1.00 0.48 C ATOM 1359 CD GLU A 115 0.453 -14.403 -7.356 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.946 -15.519 -7.104 1.00 1.81 O ATOM 1361 OE2 GLU A 115 -0.775 -14.178 -7.307 1.00 2.21 O ATOM 0 H GLU A 115 1.604 -10.647 -6.318 1.00 0.22 H new ATOM 0 HA GLU A 115 1.007 -13.157 -5.011 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.120 -12.253 -6.997 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.963 -13.902 -6.424 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.799 -12.367 -7.900 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.903 -13.508 -8.643 1.00 0.48 H new ATOM 1368 N LEU A 116 3.276 -11.188 -3.970 1.00 0.20 N ATOM 1369 CA LEU A 116 4.390 -10.895 -3.094 1.00 0.19 C ATOM 1370 C LEU A 116 3.938 -10.741 -1.633 1.00 0.22 C ATOM 1371 O LEU A 116 4.722 -10.948 -0.705 1.00 0.26 O ATOM 1372 CB LEU A 116 5.084 -9.648 -3.647 1.00 0.15 C ATOM 1373 CG LEU A 116 5.802 -8.757 -2.653 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.101 -8.261 -3.253 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.922 -7.583 -2.282 1.00 0.16 C ATOM 0 H LEU A 116 2.815 -10.355 -4.336 1.00 0.20 H new ATOM 0 HA LEU A 116 5.099 -11.723 -3.075 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.807 -9.968 -4.397 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.336 -9.045 -4.162 1.00 0.15 H new ATOM 0 HG LEU A 116 6.022 -9.332 -1.753 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.613 -7.621 -2.534 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.737 -9.112 -3.498 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.890 -7.693 -4.159 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.445 -6.948 -1.567 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.688 -7.006 -3.177 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.998 -7.948 -1.834 1.00 0.16 H new ATOM 1387 N ALA A 117 2.672 -10.399 -1.442 1.00 0.21 N ATOM 1388 CA ALA A 117 2.056 -10.384 -0.114 1.00 0.22 C ATOM 1389 C ALA A 117 0.823 -11.266 -0.150 1.00 0.23 C ATOM 1390 O ALA A 117 0.554 -11.883 -1.178 1.00 0.26 O ATOM 1391 CB ALA A 117 1.672 -8.962 0.309 1.00 0.22 C ATOM 0 H ALA A 117 2.042 -10.125 -2.196 1.00 0.21 H new ATOM 0 HA ALA A 117 2.773 -10.759 0.616 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.217 -8.987 1.299 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.564 -8.337 0.335 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.961 -8.549 -0.406 1.00 0.22 H new ATOM 1397 N PRO A 118 0.074 -11.388 0.958 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.280 -11.913 0.894 1.00 0.25 C ATOM 1399 C PRO A 118 -2.066 -11.212 -0.209 1.00 0.22 C ATOM 1400 O PRO A 118 -1.913 -10.006 -0.398 1.00 0.18 O ATOM 1401 CB PRO A 118 -1.854 -11.573 2.260 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.673 -11.565 3.171 1.00 0.32 C ATOM 1403 CD PRO A 118 0.495 -11.096 2.342 1.00 0.29 C ATOM 0 HA PRO A 118 -1.319 -12.979 0.670 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.354 -10.605 2.250 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.593 -12.310 2.575 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -0.840 -10.901 4.019 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.488 -12.560 3.577 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.689 -10.033 2.487 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.411 -11.626 2.603 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.872 -11.964 -0.938 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.484 -11.476 -2.180 1.00 0.32 C ATOM 1413 C ASP A 119 -4.131 -10.091 -2.046 1.00 0.31 C ATOM 1414 O ASP A 119 -4.052 -9.292 -2.980 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.498 -12.483 -2.737 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.790 -12.539 -1.949 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.858 -13.299 -0.961 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.745 -11.810 -2.302 1.00 1.26 O ATOM 0 H ASP A 119 -3.124 -12.922 -0.696 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.660 -11.369 -2.886 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.724 -12.225 -3.772 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.045 -13.474 -2.748 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.756 -9.777 -0.908 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.397 -8.477 -0.776 1.00 0.32 C ATOM 1425 C PHE A 120 -4.462 -7.473 -0.146 1.00 0.22 C ATOM 1426 O PHE A 120 -4.590 -6.275 -0.350 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.731 -8.542 -0.044 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.878 -8.249 -0.967 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -8.133 -6.948 -1.371 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -8.684 -9.268 -1.450 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -9.170 -6.667 -2.237 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -9.725 -8.992 -2.314 1.00 1.97 C ATOM 1433 CZ PHE A 120 -9.969 -7.689 -2.709 1.00 1.86 C ATOM 0 H PHE A 120 -4.829 -10.386 -0.093 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.627 -8.138 -1.786 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -6.859 -9.532 0.395 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.732 -7.826 0.778 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.512 -6.144 -1.003 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -8.496 -10.288 -1.148 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -9.356 -5.649 -2.545 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -10.349 -9.793 -2.681 1.00 1.97 H new ATOM 0 HZ PHE A 120 -10.783 -7.472 -3.385 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.511 -7.979 0.606 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.519 -7.152 1.253 1.00 0.17 C ATOM 1445 C VAL A 121 -1.557 -6.602 0.239 1.00 0.15 C ATOM 1446 O VAL A 121 -1.120 -5.456 0.341 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.773 -7.967 2.297 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.646 -7.162 2.922 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.779 -8.428 3.317 1.00 0.22 C ATOM 0 H VAL A 121 -3.404 -8.977 0.786 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.019 -6.317 1.744 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.297 -8.833 1.838 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.131 -7.772 3.664 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.059 -6.861 2.147 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.056 -6.274 3.403 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.276 -9.018 4.083 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.253 -7.561 3.778 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.538 -9.039 2.829 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.230 -7.427 -0.739 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.473 -6.957 -1.857 1.00 0.19 C ATOM 1461 C GLY A 122 -1.179 -5.807 -2.525 1.00 0.16 C ATOM 1462 O GLY A 122 -0.556 -4.815 -2.832 1.00 0.14 O ATOM 0 H GLY A 122 -1.480 -8.415 -0.771 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.517 -6.642 -1.527 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.328 -7.767 -2.572 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.492 -5.935 -2.722 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.284 -4.917 -3.413 1.00 0.19 C ATOM 1468 C ASP A 123 -3.483 -3.702 -2.522 1.00 0.13 C ATOM 1469 O ASP A 123 -3.461 -2.570 -2.988 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.638 -5.498 -3.839 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.546 -4.476 -4.490 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.348 -4.178 -5.683 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.477 -3.983 -3.823 1.00 1.07 O ATOM 0 H ASP A 123 -3.033 -6.741 -2.410 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.744 -4.602 -4.306 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.471 -6.321 -4.534 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.138 -5.915 -2.965 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.695 -3.953 -1.243 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.753 -2.901 -0.241 1.00 0.10 C ATOM 1480 C ILE A 124 -2.467 -2.077 -0.238 1.00 0.09 C ATOM 1481 O ILE A 124 -2.491 -0.857 -0.428 1.00 0.10 O ATOM 1482 CB ILE A 124 -4.055 -3.509 1.151 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.551 -3.792 1.260 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.607 -2.596 2.289 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.958 -4.435 2.565 1.00 0.22 C ATOM 0 H ILE A 124 -3.832 -4.892 -0.868 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.566 -2.219 -0.491 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.489 -4.436 1.245 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -6.098 -2.856 1.141 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.849 -4.442 0.437 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.840 -3.065 3.245 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.532 -2.428 2.219 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -4.129 -1.642 2.217 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -7.035 -4.605 2.567 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.440 -5.388 2.678 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.693 -3.777 3.393 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.346 -2.740 -0.050 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.066 -2.091 -0.185 1.00 0.08 C ATOM 1499 C LEU A 125 0.124 -1.535 -1.587 1.00 0.09 C ATOM 1500 O LEU A 125 0.601 -0.423 -1.745 1.00 0.10 O ATOM 1501 CB LEU A 125 1.040 -3.066 0.169 1.00 0.08 C ATOM 1502 CG LEU A 125 1.459 -3.015 1.621 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.414 -4.151 1.938 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.098 -1.670 1.919 1.00 0.09 C ATOM 0 H LEU A 125 -1.298 -3.729 0.197 1.00 0.08 H new ATOM 0 HA LEU A 125 -0.027 -1.248 0.505 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.710 -4.077 -0.068 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.908 -2.859 -0.457 1.00 0.08 H new ATOM 0 HG LEU A 125 0.579 -3.133 2.253 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.706 -4.099 2.987 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.922 -5.104 1.745 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.301 -4.066 1.310 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.400 -1.634 2.966 1.00 0.09 H new ATOM 0 HD22 LEU A 125 2.974 -1.535 1.284 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.380 -0.874 1.721 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.291 -2.291 -2.592 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.163 -1.859 -3.978 1.00 0.10 C ATOM 1518 C TRP A 126 -0.940 -0.571 -4.217 1.00 0.11 C ATOM 1519 O TRP A 126 -0.475 0.303 -4.939 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.626 -2.940 -4.964 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.655 -2.441 -6.367 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.756 -2.242 -7.140 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.471 -2.038 -7.148 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.383 -1.710 -8.354 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.017 -1.582 -8.381 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.846 -2.015 -6.916 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.829 -1.103 -9.379 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.682 -1.544 -7.908 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.171 -1.089 -9.124 1.00 0.25 C ATOM 0 H TRP A 126 -0.720 -3.209 -2.475 1.00 0.09 H new ATOM 0 HA TRP A 126 0.897 -1.676 -4.157 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.041 -3.800 -4.899 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.620 -3.286 -4.682 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.770 -2.467 -6.846 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.018 -1.453 -9.110 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.250 -2.360 -5.976 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.437 -0.754 -10.323 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.749 -1.527 -7.740 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.850 -0.719 -9.878 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.120 -0.449 -3.617 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.859 0.798 -3.686 1.00 0.12 C ATOM 1542 C GLU A 127 -2.004 1.922 -3.167 1.00 0.12 C ATOM 1543 O GLU A 127 -1.712 2.844 -3.896 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.164 0.749 -2.900 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.383 0.474 -3.758 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.611 1.500 -4.842 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -6.007 2.638 -4.515 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.355 1.183 -6.021 1.00 0.84 O ATOM 0 H GLU A 127 -2.577 -1.190 -3.085 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.114 0.964 -4.733 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.088 -0.023 -2.135 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.302 1.698 -2.382 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.278 -0.509 -4.218 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.264 0.434 -3.118 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.565 1.841 -1.916 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.726 2.907 -1.382 1.00 0.11 C ATOM 1557 C HIS A 128 0.541 3.046 -2.201 1.00 0.10 C ATOM 1558 O HIS A 128 1.059 4.144 -2.324 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.373 2.698 0.094 1.00 0.11 C ATOM 1560 CG HIS A 128 0.132 3.954 0.757 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.568 4.000 2.065 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.249 5.223 0.284 1.00 0.14 C ATOM 1563 CE1 HIS A 128 0.925 5.239 2.368 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.743 5.998 1.305 1.00 0.15 N ATOM 0 H HIS A 128 -1.767 1.077 -1.272 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.308 3.826 -1.449 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.254 2.341 0.627 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.386 1.920 0.175 1.00 0.11 H new ATOM 0 HD2 HIS A 128 -0.000 5.560 -0.711 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.302 5.572 3.324 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.937 6.998 1.250 1.00 0.15 H new ATOM 1573 N LEU A 129 1.032 1.956 -2.766 1.00 0.10 N ATOM 1574 CA LEU A 129 2.162 2.027 -3.668 1.00 0.12 C ATOM 1575 C LEU A 129 1.797 2.921 -4.822 1.00 0.15 C ATOM 1576 O LEU A 129 2.533 3.846 -5.168 1.00 0.18 O ATOM 1577 CB LEU A 129 2.546 0.628 -4.171 1.00 0.11 C ATOM 1578 CG LEU A 129 3.754 0.569 -5.108 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.767 1.630 -4.734 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.409 -0.796 -5.032 1.00 0.13 C ATOM 0 H LEU A 129 0.666 1.016 -2.615 1.00 0.10 H new ATOM 0 HA LEU A 129 3.025 2.436 -3.142 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.748 -0.006 -3.308 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.687 0.199 -4.688 1.00 0.11 H new ATOM 0 HG LEU A 129 3.406 0.749 -6.125 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.620 1.574 -5.411 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.307 2.615 -4.811 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.105 1.466 -3.711 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.267 -0.826 -5.703 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.740 -0.984 -4.011 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.691 -1.561 -5.327 1.00 0.13 H new ATOM 1592 N GLU A 130 0.636 2.666 -5.383 1.00 0.17 N ATOM 1593 CA GLU A 130 0.168 3.441 -6.492 1.00 0.23 C ATOM 1594 C GLU A 130 -0.124 4.871 -6.044 1.00 0.25 C ATOM 1595 O GLU A 130 0.147 5.832 -6.755 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.081 2.811 -7.126 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.387 3.368 -8.507 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.776 3.024 -8.998 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.957 1.916 -9.545 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.701 3.844 -8.819 1.00 1.73 O ATOM 0 H GLU A 130 0.003 1.925 -5.083 1.00 0.17 H new ATOM 0 HA GLU A 130 0.951 3.458 -7.250 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.942 1.732 -7.197 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.938 2.979 -6.474 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.275 4.452 -8.487 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.653 2.985 -9.216 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.674 4.982 -4.848 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.991 6.258 -4.231 1.00 0.21 C ATOM 1609 C ILE A 131 0.273 7.109 -3.992 1.00 0.22 C ATOM 1610 O ILE A 131 0.260 8.315 -4.207 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.764 6.044 -2.907 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.279 5.929 -3.154 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.503 7.180 -1.928 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.703 4.856 -4.135 1.00 0.23 C ATOM 0 H ILE A 131 -0.916 4.177 -4.270 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.628 6.808 -4.924 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.402 5.110 -2.477 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.771 5.739 -2.200 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.644 6.891 -3.515 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.059 7.002 -1.008 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.437 7.230 -1.704 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.825 8.123 -2.370 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.788 4.862 -4.234 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.249 5.051 -5.106 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.378 3.881 -3.771 1.00 0.23 H new ATOM 1626 N LEU A 132 1.364 6.494 -3.549 1.00 0.18 N ATOM 1627 CA LEU A 132 2.621 7.238 -3.378 1.00 0.20 C ATOM 1628 C LEU A 132 3.007 7.871 -4.699 1.00 0.25 C ATOM 1629 O LEU A 132 3.549 8.973 -4.757 1.00 0.29 O ATOM 1630 CB LEU A 132 3.777 6.350 -2.927 1.00 0.21 C ATOM 1631 CG LEU A 132 3.515 5.471 -1.719 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.130 4.118 -1.980 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.094 6.067 -0.436 1.00 0.25 C ATOM 0 H LEU A 132 1.412 5.505 -3.305 1.00 0.18 H new ATOM 0 HA LEU A 132 2.445 7.986 -2.605 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.062 5.709 -3.761 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.633 6.988 -2.707 1.00 0.21 H new ATOM 0 HG LEU A 132 2.438 5.389 -1.573 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.954 3.467 -1.124 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.678 3.678 -2.869 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.203 4.230 -2.136 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.882 5.403 0.402 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.173 6.183 -0.543 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.641 7.041 -0.251 1.00 0.25 H new ATOM 1645 N GLN A 133 2.698 7.148 -5.757 1.00 0.28 N ATOM 1646 CA GLN A 133 2.945 7.611 -7.100 1.00 0.38 C ATOM 1647 C GLN A 133 1.923 8.672 -7.466 1.00 0.37 C ATOM 1648 O GLN A 133 2.260 9.661 -8.100 1.00 0.47 O ATOM 1649 CB GLN A 133 2.880 6.445 -8.084 1.00 0.58 C ATOM 1650 CG GLN A 133 3.989 5.428 -7.884 1.00 0.79 C ATOM 1651 CD GLN A 133 3.670 4.089 -8.508 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.065 3.220 -7.720 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 3.969 3.836 -9.674 1.00 0.31 N flip ATOM 0 H GLN A 133 2.269 6.224 -5.706 1.00 0.28 H new ATOM 0 HA GLN A 133 3.943 8.045 -7.152 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.916 5.946 -7.982 1.00 0.58 H new ATOM 0 HB3 GLN A 133 2.932 6.834 -9.101 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.913 5.814 -8.314 1.00 0.79 H new ATOM 0 HG3 GLN A 133 4.166 5.294 -6.817 1.00 0.79 H new ATOM 0 HE21 GLN A 133 4.436 4.540 -10.245 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.750 2.922 -10.070 1.00 0.31 H new ATOM 1662 N LYS A 134 0.672 8.463 -7.059 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.410 9.400 -7.327 1.00 0.44 C ATOM 1664 C LYS A 134 -0.193 10.764 -6.664 1.00 0.50 C ATOM 1665 O LYS A 134 -0.722 11.771 -7.130 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.745 8.741 -6.902 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.654 9.554 -5.981 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.257 9.427 -4.515 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.395 9.808 -3.581 1.00 2.51 C ATOM 1670 NZ LYS A 134 -3.743 11.248 -3.664 1.00 3.42 N ATOM 0 H LYS A 134 0.383 7.638 -6.534 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.437 9.614 -8.395 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -2.306 8.498 -7.804 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.515 7.798 -6.406 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -2.620 10.603 -6.275 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.685 9.222 -6.106 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.948 8.402 -4.311 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.396 10.065 -4.316 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -4.274 9.211 -3.823 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -3.116 9.564 -2.556 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -4.318 11.514 -2.839 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -2.872 11.816 -3.677 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -4.284 11.425 -4.534 1.00 3.42 H new ATOM 1684 N GLU A 135 0.576 10.817 -5.585 1.00 0.57 N ATOM 1685 CA GLU A 135 0.919 12.097 -4.976 1.00 0.78 C ATOM 1686 C GLU A 135 1.775 12.945 -5.910 1.00 0.87 C ATOM 1687 O GLU A 135 1.919 14.151 -5.719 1.00 1.08 O ATOM 1688 CB GLU A 135 1.628 11.885 -3.644 1.00 0.91 C ATOM 1689 CG GLU A 135 0.686 11.450 -2.535 1.00 1.30 C ATOM 1690 CD GLU A 135 -0.434 12.449 -2.313 1.00 1.73 C ATOM 1691 OE1 GLU A 135 -1.462 12.368 -3.014 1.00 2.15 O ATOM 1692 OE2 GLU A 135 -0.289 13.330 -1.444 1.00 2.31 O ATOM 0 H GLU A 135 0.970 10.001 -5.117 1.00 0.57 H new ATOM 0 HA GLU A 135 -0.010 12.637 -4.793 1.00 0.78 H new ATOM 0 HB2 GLU A 135 2.406 11.132 -3.768 1.00 0.91 H new ATOM 0 HB3 GLU A 135 2.123 12.811 -3.351 1.00 0.91 H new ATOM 0 HG2 GLU A 135 0.260 10.478 -2.782 1.00 1.30 H new ATOM 0 HG3 GLU A 135 1.249 11.325 -1.610 1.00 1.30 H new ATOM 1699 N ASP A 136 2.339 12.307 -6.922 1.00 0.86 N ATOM 1700 CA ASP A 136 3.100 13.006 -7.947 1.00 1.09 C ATOM 1701 C ASP A 136 2.805 12.367 -9.299 1.00 1.29 C ATOM 1702 O ASP A 136 3.681 12.226 -10.156 1.00 1.78 O ATOM 1703 CB ASP A 136 4.595 12.944 -7.625 1.00 1.62 C ATOM 1704 CG ASP A 136 5.426 13.877 -8.486 1.00 1.94 C ATOM 1705 OD1 ASP A 136 4.900 14.927 -8.903 1.00 2.53 O ATOM 1706 OD2 ASP A 136 6.599 13.554 -8.760 1.00 2.14 O ATOM 0 H ASP A 136 2.284 11.297 -7.057 1.00 0.86 H new ATOM 0 HA ASP A 136 2.809 14.056 -7.978 1.00 1.09 H new ATOM 0 HB2 ASP A 136 4.746 13.196 -6.575 1.00 1.62 H new ATOM 0 HB3 ASP A 136 4.948 11.922 -7.761 1.00 1.62 H new ATOM 1711 N VAL A 137 1.552 11.962 -9.471 1.00 1.29 N ATOM 1712 CA VAL A 137 1.150 11.212 -10.647 1.00 1.83 C ATOM 1713 C VAL A 137 1.068 12.115 -11.869 1.00 2.01 C ATOM 1714 O VAL A 137 0.391 13.148 -11.862 1.00 2.52 O ATOM 1715 CB VAL A 137 -0.188 10.461 -10.426 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -1.311 11.410 -10.032 1.00 2.82 C ATOM 1717 CG2 VAL A 137 -0.570 9.656 -11.660 1.00 2.60 C ATOM 0 H VAL A 137 0.798 12.143 -8.808 1.00 1.29 H new ATOM 0 HA VAL A 137 1.919 10.461 -10.827 1.00 1.83 H new ATOM 0 HB VAL A 137 -0.038 9.770 -9.597 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -2.231 10.844 -9.887 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -1.048 11.920 -9.105 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -1.459 12.146 -10.822 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -1.512 9.138 -11.480 1.00 2.60 H new ATOM 0 HG22 VAL A 137 -0.682 10.327 -12.512 1.00 2.60 H new ATOM 0 HG23 VAL A 137 0.210 8.925 -11.874 1.00 2.60 H new ATOM 1727 N LYS A 138 1.787 11.724 -12.903 1.00 2.28 N ATOM 1728 CA LYS A 138 1.846 12.481 -14.134 1.00 2.78 C ATOM 1729 C LYS A 138 1.923 11.533 -15.327 1.00 3.41 C ATOM 1730 O LYS A 138 3.049 11.163 -15.728 1.00 4.06 O ATOM 1731 CB LYS A 138 3.056 13.424 -14.118 1.00 3.26 C ATOM 1732 CG LYS A 138 4.330 12.768 -13.601 1.00 3.81 C ATOM 1733 CD LYS A 138 5.573 13.498 -14.078 1.00 4.63 C ATOM 1734 CE LYS A 138 5.662 13.509 -15.598 1.00 5.26 C ATOM 1735 NZ LYS A 138 5.533 12.141 -16.172 1.00 5.57 N ATOM 1736 OXT LYS A 138 0.856 11.141 -15.844 1.00 3.77 O ATOM 0 H LYS A 138 2.347 10.871 -12.911 1.00 2.28 H new ATOM 0 HA LYS A 138 0.941 13.082 -14.224 1.00 2.78 H new ATOM 0 HB2 LYS A 138 3.231 13.794 -15.128 1.00 3.26 H new ATOM 0 HB3 LYS A 138 2.824 14.289 -13.497 1.00 3.26 H new ATOM 0 HG2 LYS A 138 4.314 12.751 -12.511 1.00 3.81 H new ATOM 0 HG3 LYS A 138 4.367 11.731 -13.935 1.00 3.81 H new ATOM 0 HD2 LYS A 138 5.561 14.522 -13.705 1.00 4.63 H new ATOM 0 HD3 LYS A 138 6.460 13.019 -13.664 1.00 4.63 H new ATOM 0 HE2 LYS A 138 4.877 14.148 -16.003 1.00 5.26 H new ATOM 0 HE3 LYS A 138 6.615 13.942 -15.903 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 5.910 12.134 -17.141 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 6.068 11.467 -15.588 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 4.531 11.865 -16.189 1.00 5.57 H new TER 1750 LYS A 138