USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 Single : A 1 MET CE :methyl -154:sc= 0 (180deg=-0.484) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.602 (180deg=-0.202) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 99:sc= 0.901 USER MOD Single : A 6 SER OG : rot 148:sc= 0.135 USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.726 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.139 K(o=0.14,f=-3!) USER MOD Single : A 15 TYR OH : rot -47:sc= 0.67 USER MOD Single : A 16 TYR OH : rot -49:sc= -0.257 USER MOD Single : A 18 SER OG : rot -22:sc= -0.268 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.756 K(o=0.76,f=-0.016) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= 0.618 (180deg=-0.733!) USER MOD Single : A 35 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.493 K(o=0.49,f=-2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -160:sc= 1.33 USER MOD Single : A 47 SER OG : rot -37:sc= 0.549 USER MOD Single : A 49 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.7!) USER MOD Single : A 51 MET CE :methyl 169:sc= -4.93 (180deg=-5.45!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -14:sc= 0.792 USER MOD Single : A 55 SER OG : rot -79:sc= 0.705 USER MOD Single : A 56 THR OG1 : rot 46:sc= 0.618 USER MOD Single : A 59 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.17) USER MOD Single : A 62 THR OG1 : rot 79:sc= 0.795 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 2.12 (180deg=1.73) USER MOD Single : A 68 SER OG : rot 88:sc= 0.459 USER MOD Single : A 69 THR OG1 : rot 64:sc= -0.585 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.182) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.211 -19.364 -3.427 1.00 5.01 N ATOM 2 CA MET A 1 -2.416 -18.925 -2.710 1.00 3.46 C ATOM 3 C MET A 1 -3.529 -18.515 -3.683 1.00 2.37 C ATOM 4 O MET A 1 -4.558 -18.012 -3.240 1.00 2.95 O ATOM 5 CB MET A 1 -2.053 -17.779 -1.755 1.00 4.21 C ATOM 6 CG MET A 1 -1.472 -16.559 -2.489 1.00 5.81 C ATOM 7 SD MET A 1 0.255 -16.767 -3.009 1.00 7.43 S ATOM 8 CE MET A 1 0.455 -15.414 -4.200 1.00 9.56 C ATOM 0 H1 MET A 1 -0.580 -19.867 -2.771 1.00 5.01 H new ATOM 0 H2 MET A 1 -1.482 -20.001 -4.203 1.00 5.01 H new ATOM 0 H3 MET A 1 -0.717 -18.535 -3.815 1.00 5.01 H new ATOM 0 HA MET A 1 -2.803 -19.760 -2.126 1.00 3.46 H new ATOM 0 HB2 MET A 1 -2.942 -17.476 -1.202 1.00 4.21 H new ATOM 0 HB3 MET A 1 -1.329 -18.137 -1.023 1.00 4.21 H new ATOM 0 HG2 MET A 1 -2.083 -16.351 -3.367 1.00 5.81 H new ATOM 0 HG3 MET A 1 -1.543 -15.688 -1.838 1.00 5.81 H new ATOM 0 HE1 MET A 1 1.238 -15.670 -4.913 1.00 9.56 H new ATOM 0 HE2 MET A 1 -0.483 -15.256 -4.732 1.00 9.56 H new ATOM 0 HE3 MET A 1 0.730 -14.501 -3.671 1.00 9.56 H new ATOM 20 N SER A 2 -3.338 -18.724 -4.994 1.00 2.06 N ATOM 21 CA SER A 2 -4.248 -18.282 -6.037 1.00 2.20 C ATOM 22 C SER A 2 -4.428 -16.767 -6.068 1.00 1.66 C ATOM 23 O SER A 2 -4.105 -16.038 -5.125 1.00 1.49 O ATOM 24 CB SER A 2 -5.572 -19.043 -5.942 1.00 3.15 C ATOM 25 OG SER A 2 -5.284 -20.426 -5.947 1.00 3.49 O ATOM 0 H SER A 2 -2.523 -19.218 -5.357 1.00 2.06 H new ATOM 0 HA SER A 2 -3.796 -18.524 -6.999 1.00 2.20 H new ATOM 0 HB2 SER A 2 -6.105 -18.768 -5.031 1.00 3.15 H new ATOM 0 HB3 SER A 2 -6.220 -18.786 -6.780 1.00 3.15 H new ATOM 0 HG SER A 2 -6.120 -20.934 -5.885 1.00 3.49 H new ATOM 31 N GLU A 3 -4.934 -16.274 -7.197 1.00 1.53 N ATOM 32 CA GLU A 3 -5.124 -14.846 -7.352 1.00 1.15 C ATOM 33 C GLU A 3 -6.269 -14.359 -6.471 1.00 1.06 C ATOM 34 O GLU A 3 -6.370 -13.164 -6.239 1.00 0.92 O ATOM 35 CB GLU A 3 -5.274 -14.474 -8.836 1.00 1.39 C ATOM 36 CG GLU A 3 -4.369 -13.281 -9.202 1.00 2.31 C ATOM 37 CD GLU A 3 -3.701 -13.461 -10.567 1.00 2.78 C ATOM 38 OE1 GLU A 3 -4.432 -13.719 -11.544 1.00 2.94 O ATOM 39 OE2 GLU A 3 -2.451 -13.358 -10.598 1.00 3.78 O ATOM 0 H GLU A 3 -5.213 -16.836 -8.001 1.00 1.53 H new ATOM 0 HA GLU A 3 -4.235 -14.320 -7.004 1.00 1.15 H new ATOM 0 HB2 GLU A 3 -5.019 -15.332 -9.457 1.00 1.39 H new ATOM 0 HB3 GLU A 3 -6.314 -14.225 -9.049 1.00 1.39 H new ATOM 0 HG2 GLU A 3 -4.961 -12.366 -9.207 1.00 2.31 H new ATOM 0 HG3 GLU A 3 -3.602 -13.161 -8.437 1.00 2.31 H new ATOM 46 N GLU A 4 -7.084 -15.252 -5.902 1.00 1.18 N ATOM 47 CA GLU A 4 -7.995 -14.879 -4.831 1.00 1.04 C ATOM 48 C GLU A 4 -7.230 -14.287 -3.657 1.00 0.87 C ATOM 49 O GLU A 4 -7.607 -13.222 -3.177 1.00 0.71 O ATOM 50 CB GLU A 4 -8.803 -16.081 -4.339 1.00 1.24 C ATOM 51 CG GLU A 4 -9.862 -16.487 -5.364 1.00 1.53 C ATOM 52 CD GLU A 4 -10.726 -17.615 -4.804 1.00 1.97 C ATOM 53 OE1 GLU A 4 -11.695 -17.284 -4.087 1.00 2.86 O ATOM 54 OE2 GLU A 4 -10.378 -18.784 -5.080 1.00 2.67 O ATOM 0 H GLU A 4 -7.127 -16.236 -6.169 1.00 1.18 H new ATOM 0 HA GLU A 4 -8.680 -14.135 -5.238 1.00 1.04 H new ATOM 0 HB2 GLU A 4 -8.134 -16.921 -4.150 1.00 1.24 H new ATOM 0 HB3 GLU A 4 -9.284 -15.837 -3.392 1.00 1.24 H new ATOM 0 HG2 GLU A 4 -10.486 -15.629 -5.613 1.00 1.53 H new ATOM 0 HG3 GLU A 4 -9.381 -16.810 -6.287 1.00 1.53 H new ATOM 61 N THR A 5 -6.185 -14.955 -3.152 1.00 1.00 N ATOM 62 CA THR A 5 -5.559 -14.425 -1.952 1.00 0.97 C ATOM 63 C THR A 5 -4.763 -13.176 -2.309 1.00 0.81 C ATOM 64 O THR A 5 -4.852 -12.178 -1.599 1.00 0.78 O ATOM 65 CB THR A 5 -4.695 -15.482 -1.280 1.00 1.20 C ATOM 66 OG1 THR A 5 -5.481 -16.619 -0.999 1.00 1.34 O ATOM 67 CG2 THR A 5 -4.127 -14.978 0.046 1.00 1.24 C ATOM 0 H THR A 5 -5.780 -15.811 -3.532 1.00 1.00 H new ATOM 0 HA THR A 5 -6.328 -14.146 -1.231 1.00 0.97 H new ATOM 0 HB THR A 5 -3.876 -15.719 -1.960 1.00 1.20 H new ATOM 0 HG1 THR A 5 -5.341 -17.294 -1.696 1.00 1.34 H new ATOM 0 HG21 THR A 5 -3.515 -15.758 0.499 1.00 1.24 H new ATOM 0 HG22 THR A 5 -3.515 -14.094 -0.133 1.00 1.24 H new ATOM 0 HG23 THR A 5 -4.946 -14.722 0.719 1.00 1.24 H new ATOM 75 N SER A 6 -4.023 -13.200 -3.423 1.00 0.77 N ATOM 76 CA SER A 6 -3.265 -12.030 -3.855 1.00 0.65 C ATOM 77 C SER A 6 -4.221 -10.832 -3.954 1.00 0.50 C ATOM 78 O SER A 6 -3.981 -9.794 -3.345 1.00 0.58 O ATOM 79 CB SER A 6 -2.523 -12.350 -5.164 1.00 0.73 C ATOM 80 OG SER A 6 -1.486 -11.424 -5.430 1.00 0.86 O ATOM 0 H SER A 6 -3.936 -14.012 -4.035 1.00 0.77 H new ATOM 0 HA SER A 6 -2.495 -11.762 -3.132 1.00 0.65 H new ATOM 0 HB2 SER A 6 -2.105 -13.355 -5.106 1.00 0.73 H new ATOM 0 HB3 SER A 6 -3.232 -12.347 -5.992 1.00 0.73 H new ATOM 0 HG SER A 6 -0.753 -11.878 -5.895 1.00 0.86 H new ATOM 86 N THR A 7 -5.357 -11.005 -4.634 1.00 0.50 N ATOM 87 CA THR A 7 -6.407 -10.007 -4.783 1.00 0.52 C ATOM 88 C THR A 7 -7.038 -9.612 -3.458 1.00 0.55 C ATOM 89 O THR A 7 -7.400 -8.455 -3.303 1.00 0.63 O ATOM 90 CB THR A 7 -7.452 -10.419 -5.829 1.00 0.69 C ATOM 91 OG1 THR A 7 -6.804 -10.558 -7.072 1.00 0.84 O ATOM 92 CG2 THR A 7 -8.530 -9.349 -6.027 1.00 0.86 C ATOM 0 H THR A 7 -5.574 -11.879 -5.112 1.00 0.50 H new ATOM 0 HA THR A 7 -5.921 -9.108 -5.162 1.00 0.52 H new ATOM 0 HB THR A 7 -7.916 -11.341 -5.478 1.00 0.69 H new ATOM 0 HG1 THR A 7 -6.464 -11.472 -7.163 1.00 0.84 H new ATOM 0 HG21 THR A 7 -9.245 -9.688 -6.776 1.00 0.86 H new ATOM 0 HG22 THR A 7 -9.048 -9.175 -5.084 1.00 0.86 H new ATOM 0 HG23 THR A 7 -8.065 -8.422 -6.362 1.00 0.86 H new ATOM 100 N GLN A 8 -7.169 -10.502 -2.477 1.00 0.61 N ATOM 101 CA GLN A 8 -7.660 -10.093 -1.171 1.00 0.75 C ATOM 102 C GLN A 8 -6.772 -9.024 -0.569 1.00 0.75 C ATOM 103 O GLN A 8 -7.284 -8.125 0.088 1.00 0.95 O ATOM 104 CB GLN A 8 -7.765 -11.265 -0.194 1.00 0.84 C ATOM 105 CG GLN A 8 -9.117 -11.973 -0.319 1.00 0.89 C ATOM 106 CD GLN A 8 -9.368 -12.904 0.864 1.00 2.39 C ATOM 107 OE1 GLN A 8 -9.319 -12.486 2.013 1.00 3.06 O ATOM 108 NE2 GLN A 8 -9.670 -14.171 0.615 1.00 3.52 N ATOM 0 H GLN A 8 -6.945 -11.494 -2.562 1.00 0.61 H new ATOM 0 HA GLN A 8 -8.661 -9.693 -1.333 1.00 0.75 H new ATOM 0 HB2 GLN A 8 -6.961 -11.975 -0.387 1.00 0.84 H new ATOM 0 HB3 GLN A 8 -7.634 -10.904 0.826 1.00 0.84 H new ATOM 0 HG2 GLN A 8 -9.914 -11.232 -0.376 1.00 0.89 H new ATOM 0 HG3 GLN A 8 -9.146 -12.545 -1.247 1.00 0.89 H new ATOM 0 HE21 GLN A 8 -9.707 -14.507 -0.347 1.00 3.52 H new ATOM 0 HE22 GLN A 8 -9.865 -14.810 1.386 1.00 3.52 H new ATOM 117 N ILE A 9 -5.463 -9.106 -0.778 1.00 0.60 N ATOM 118 CA ILE A 9 -4.587 -8.067 -0.272 1.00 0.55 C ATOM 119 C ILE A 9 -4.665 -6.881 -1.215 1.00 0.41 C ATOM 120 O ILE A 9 -4.652 -5.741 -0.774 1.00 0.43 O ATOM 121 CB ILE A 9 -3.139 -8.545 -0.118 1.00 0.67 C ATOM 122 CG1 ILE A 9 -3.077 -10.024 0.286 1.00 1.91 C ATOM 123 CG2 ILE A 9 -2.483 -7.651 0.941 1.00 1.43 C ATOM 124 CD1 ILE A 9 -1.713 -10.433 0.825 1.00 1.81 C ATOM 0 H ILE A 9 -4.998 -9.862 -1.281 1.00 0.60 H new ATOM 0 HA ILE A 9 -4.919 -7.784 0.727 1.00 0.55 H new ATOM 0 HB ILE A 9 -2.609 -8.468 -1.067 1.00 0.67 H new ATOM 0 HG12 ILE A 9 -3.836 -10.221 1.044 1.00 1.91 H new ATOM 0 HG13 ILE A 9 -3.321 -10.642 -0.578 1.00 1.91 H new ATOM 0 HG21 ILE A 9 -1.447 -7.957 1.084 1.00 1.43 H new ATOM 0 HG22 ILE A 9 -2.513 -6.613 0.610 1.00 1.43 H new ATOM 0 HG23 ILE A 9 -3.023 -7.747 1.883 1.00 1.43 H new ATOM 0 HD11 ILE A 9 -1.730 -11.489 1.094 1.00 1.81 H new ATOM 0 HD12 ILE A 9 -0.954 -10.265 0.060 1.00 1.81 H new ATOM 0 HD13 ILE A 9 -1.477 -9.838 1.707 1.00 1.81 H new ATOM 136 N LEU A 10 -4.758 -7.136 -2.518 1.00 0.39 N ATOM 137 CA LEU A 10 -4.683 -6.116 -3.548 1.00 0.47 C ATOM 138 C LEU A 10 -5.795 -5.089 -3.367 1.00 0.44 C ATOM 139 O LEU A 10 -5.550 -3.888 -3.300 1.00 0.46 O ATOM 140 CB LEU A 10 -4.741 -6.797 -4.919 1.00 0.62 C ATOM 141 CG LEU A 10 -3.802 -6.158 -5.943 1.00 0.73 C ATOM 142 CD1 LEU A 10 -2.652 -7.131 -6.199 1.00 1.70 C ATOM 143 CD2 LEU A 10 -4.549 -5.898 -7.248 1.00 2.27 C ATOM 0 H LEU A 10 -4.890 -8.077 -2.889 1.00 0.39 H new ATOM 0 HA LEU A 10 -3.742 -5.572 -3.471 1.00 0.47 H new ATOM 0 HB2 LEU A 10 -4.485 -7.850 -4.807 1.00 0.62 H new ATOM 0 HB3 LEU A 10 -5.763 -6.756 -5.296 1.00 0.62 H new ATOM 0 HG LEU A 10 -3.425 -5.208 -5.564 1.00 0.73 H new ATOM 0 HD11 LEU A 10 -1.966 -6.699 -6.927 1.00 1.70 H new ATOM 0 HD12 LEU A 10 -2.120 -7.319 -5.266 1.00 1.70 H new ATOM 0 HD13 LEU A 10 -3.049 -8.070 -6.586 1.00 1.70 H new ATOM 0 HD21 LEU A 10 -3.872 -5.443 -7.971 1.00 2.27 H new ATOM 0 HD22 LEU A 10 -4.924 -6.841 -7.646 1.00 2.27 H new ATOM 0 HD23 LEU A 10 -5.385 -5.225 -7.061 1.00 2.27 H new ATOM 155 N LYS A 11 -7.017 -5.588 -3.209 1.00 0.46 N ATOM 156 CA LYS A 11 -8.201 -4.776 -2.961 1.00 0.52 C ATOM 157 C LYS A 11 -8.103 -4.075 -1.611 1.00 0.51 C ATOM 158 O LYS A 11 -8.762 -3.072 -1.360 1.00 0.79 O ATOM 159 CB LYS A 11 -9.458 -5.645 -3.075 1.00 0.61 C ATOM 160 CG LYS A 11 -9.693 -6.482 -1.814 1.00 2.75 C ATOM 161 CD LYS A 11 -10.384 -7.801 -2.139 1.00 3.47 C ATOM 162 CE LYS A 11 -11.762 -7.601 -2.770 1.00 3.76 C ATOM 163 NZ LYS A 11 -12.403 -8.900 -3.072 1.00 4.58 N ATOM 0 H LYS A 11 -7.215 -6.588 -3.251 1.00 0.46 H new ATOM 0 HA LYS A 11 -8.268 -3.993 -3.716 1.00 0.52 H new ATOM 0 HB2 LYS A 11 -10.324 -5.008 -3.254 1.00 0.61 H new ATOM 0 HB3 LYS A 11 -9.365 -6.306 -3.937 1.00 0.61 H new ATOM 0 HG2 LYS A 11 -8.739 -6.681 -1.325 1.00 2.75 H new ATOM 0 HG3 LYS A 11 -10.301 -5.916 -1.108 1.00 2.75 H new ATOM 0 HD2 LYS A 11 -9.757 -8.378 -2.819 1.00 3.47 H new ATOM 0 HD3 LYS A 11 -10.488 -8.388 -1.226 1.00 3.47 H new ATOM 0 HE2 LYS A 11 -12.396 -7.028 -2.093 1.00 3.76 H new ATOM 0 HE3 LYS A 11 -11.665 -7.018 -3.686 1.00 3.76 H new ATOM 0 HZ1 LYS A 11 -13.337 -8.735 -3.499 1.00 4.58 H new ATOM 0 HZ2 LYS A 11 -11.808 -9.435 -3.736 1.00 4.58 H new ATOM 0 HZ3 LYS A 11 -12.516 -9.444 -2.193 1.00 4.58 H new ATOM 177 N GLN A 12 -7.315 -4.633 -0.700 1.00 0.43 N ATOM 178 CA GLN A 12 -7.073 -4.044 0.600 1.00 0.48 C ATOM 179 C GLN A 12 -6.051 -2.908 0.503 1.00 0.43 C ATOM 180 O GLN A 12 -6.159 -1.916 1.219 1.00 0.46 O ATOM 181 CB GLN A 12 -6.651 -5.146 1.574 1.00 0.64 C ATOM 182 CG GLN A 12 -7.275 -4.966 2.963 1.00 1.25 C ATOM 183 CD GLN A 12 -8.618 -5.692 3.078 1.00 1.21 C ATOM 184 OE1 GLN A 12 -8.832 -6.466 4.005 1.00 2.13 O ATOM 185 NE2 GLN A 12 -9.556 -5.473 2.165 1.00 1.76 N ATOM 0 H GLN A 12 -6.824 -5.515 -0.850 1.00 0.43 H new ATOM 0 HA GLN A 12 -7.987 -3.590 0.983 1.00 0.48 H new ATOM 0 HB2 GLN A 12 -6.942 -6.116 1.170 1.00 0.64 H new ATOM 0 HB3 GLN A 12 -5.565 -5.152 1.664 1.00 0.64 H new ATOM 0 HG2 GLN A 12 -6.590 -5.345 3.722 1.00 1.25 H new ATOM 0 HG3 GLN A 12 -7.417 -3.904 3.164 1.00 1.25 H new ATOM 0 HE21 GLN A 12 -9.377 -4.829 1.394 1.00 1.76 H new ATOM 0 HE22 GLN A 12 -10.456 -5.949 2.234 1.00 1.76 H new ATOM 194 N VAL A 13 -5.070 -3.031 -0.389 1.00 0.41 N ATOM 195 CA VAL A 13 -4.068 -2.010 -0.623 1.00 0.47 C ATOM 196 C VAL A 13 -4.776 -0.823 -1.251 1.00 0.48 C ATOM 197 O VAL A 13 -4.686 0.283 -0.724 1.00 0.52 O ATOM 198 CB VAL A 13 -2.941 -2.593 -1.492 1.00 0.53 C ATOM 199 CG1 VAL A 13 -2.058 -1.519 -2.131 1.00 0.75 C ATOM 200 CG2 VAL A 13 -2.048 -3.495 -0.635 1.00 0.75 C ATOM 0 H VAL A 13 -4.953 -3.858 -0.975 1.00 0.41 H new ATOM 0 HA VAL A 13 -3.590 -1.671 0.296 1.00 0.47 H new ATOM 0 HB VAL A 13 -3.425 -3.151 -2.293 1.00 0.53 H new ATOM 0 HG11 VAL A 13 -1.283 -1.995 -2.731 1.00 0.75 H new ATOM 0 HG12 VAL A 13 -2.668 -0.878 -2.768 1.00 0.75 H new ATOM 0 HG13 VAL A 13 -1.594 -0.917 -1.350 1.00 0.75 H new ATOM 0 HG21 VAL A 13 -1.249 -3.908 -1.251 1.00 0.75 H new ATOM 0 HG22 VAL A 13 -1.615 -2.912 0.177 1.00 0.75 H new ATOM 0 HG23 VAL A 13 -2.644 -4.308 -0.220 1.00 0.75 H new ATOM 210 N GLU A 14 -5.515 -1.039 -2.344 1.00 0.48 N ATOM 211 CA GLU A 14 -6.240 0.048 -2.979 1.00 0.53 C ATOM 212 C GLU A 14 -7.232 0.672 -2.005 1.00 0.48 C ATOM 213 O GLU A 14 -7.440 1.878 -2.059 1.00 0.55 O ATOM 214 CB GLU A 14 -6.919 -0.394 -4.289 1.00 0.61 C ATOM 215 CG GLU A 14 -8.225 -1.149 -4.033 1.00 1.94 C ATOM 216 CD GLU A 14 -8.808 -1.799 -5.285 1.00 2.74 C ATOM 217 OE1 GLU A 14 -8.284 -2.863 -5.667 1.00 4.00 O ATOM 218 OE2 GLU A 14 -9.793 -1.246 -5.826 1.00 3.05 O ATOM 0 H GLU A 14 -5.622 -1.947 -2.797 1.00 0.48 H new ATOM 0 HA GLU A 14 -5.515 0.813 -3.255 1.00 0.53 H new ATOM 0 HB2 GLU A 14 -7.122 0.482 -4.905 1.00 0.61 H new ATOM 0 HB3 GLU A 14 -6.237 -1.030 -4.854 1.00 0.61 H new ATOM 0 HG2 GLU A 14 -8.049 -1.919 -3.282 1.00 1.94 H new ATOM 0 HG3 GLU A 14 -8.959 -0.459 -3.616 1.00 1.94 H new ATOM 225 N TYR A 15 -7.832 -0.123 -1.112 1.00 0.44 N ATOM 226 CA TYR A 15 -8.847 0.323 -0.183 1.00 0.43 C ATOM 227 C TYR A 15 -8.301 1.454 0.684 1.00 0.39 C ATOM 228 O TYR A 15 -8.958 2.478 0.804 1.00 0.42 O ATOM 229 CB TYR A 15 -9.362 -0.881 0.618 1.00 0.46 C ATOM 230 CG TYR A 15 -9.779 -0.564 2.025 1.00 0.49 C ATOM 231 CD1 TYR A 15 -11.056 -0.045 2.287 1.00 0.75 C ATOM 232 CD2 TYR A 15 -8.838 -0.710 3.057 1.00 0.62 C ATOM 233 CE1 TYR A 15 -11.376 0.381 3.584 1.00 0.86 C ATOM 234 CE2 TYR A 15 -9.152 -0.283 4.351 1.00 0.67 C ATOM 235 CZ TYR A 15 -10.414 0.297 4.616 1.00 0.69 C ATOM 236 OH TYR A 15 -10.684 0.834 5.837 1.00 0.83 O ATOM 0 H TYR A 15 -7.612 -1.115 -1.022 1.00 0.44 H new ATOM 0 HA TYR A 15 -9.704 0.739 -0.713 1.00 0.43 H new ATOM 0 HB2 TYR A 15 -10.211 -1.315 0.090 1.00 0.46 H new ATOM 0 HB3 TYR A 15 -8.582 -1.642 0.647 1.00 0.46 H new ATOM 0 HD1 TYR A 15 -11.787 0.026 1.495 1.00 0.75 H new ATOM 0 HD2 TYR A 15 -7.874 -1.151 2.852 1.00 0.62 H new ATOM 0 HE1 TYR A 15 -12.360 0.774 3.795 1.00 0.86 H new ATOM 0 HE2 TYR A 15 -8.431 -0.396 5.147 1.00 0.67 H new ATOM 0 HH TYR A 15 -11.043 1.739 5.724 1.00 0.83 H new ATOM 246 N TYR A 16 -7.094 1.329 1.239 1.00 0.38 N ATOM 247 CA TYR A 16 -6.551 2.372 2.113 1.00 0.39 C ATOM 248 C TYR A 16 -6.501 3.753 1.443 1.00 0.42 C ATOM 249 O TYR A 16 -6.518 4.777 2.128 1.00 0.51 O ATOM 250 CB TYR A 16 -5.181 1.954 2.645 1.00 0.43 C ATOM 251 CG TYR A 16 -5.217 0.843 3.666 1.00 0.69 C ATOM 252 CD1 TYR A 16 -5.785 1.079 4.929 1.00 1.31 C ATOM 253 CD2 TYR A 16 -4.574 -0.378 3.400 1.00 2.27 C ATOM 254 CE1 TYR A 16 -5.658 0.122 5.948 1.00 1.30 C ATOM 255 CE2 TYR A 16 -4.438 -1.332 4.418 1.00 2.56 C ATOM 256 CZ TYR A 16 -4.959 -1.082 5.704 1.00 1.36 C ATOM 257 OH TYR A 16 -4.754 -1.988 6.701 1.00 1.70 O ATOM 0 H TYR A 16 -6.480 0.526 1.102 1.00 0.38 H new ATOM 0 HA TYR A 16 -7.237 2.478 2.954 1.00 0.39 H new ATOM 0 HB2 TYR A 16 -4.560 1.639 1.806 1.00 0.43 H new ATOM 0 HB3 TYR A 16 -4.698 2.824 3.090 1.00 0.43 H new ATOM 0 HD1 TYR A 16 -6.320 1.998 5.116 1.00 1.31 H new ATOM 0 HD2 TYR A 16 -4.185 -0.581 2.413 1.00 2.27 H new ATOM 0 HE1 TYR A 16 -6.094 0.306 6.919 1.00 1.30 H new ATOM 0 HE2 TYR A 16 -3.931 -2.264 4.216 1.00 2.56 H new ATOM 0 HH TYR A 16 -4.399 -1.530 7.491 1.00 1.70 H new ATOM 267 N PHE A 17 -6.463 3.798 0.112 1.00 0.48 N ATOM 268 CA PHE A 17 -6.462 5.043 -0.639 1.00 0.59 C ATOM 269 C PHE A 17 -7.884 5.388 -1.088 1.00 0.69 C ATOM 270 O PHE A 17 -8.301 6.542 -1.031 1.00 1.12 O ATOM 271 CB PHE A 17 -5.455 4.932 -1.794 1.00 0.69 C ATOM 272 CG PHE A 17 -4.031 4.691 -1.316 1.00 0.78 C ATOM 273 CD1 PHE A 17 -3.655 3.416 -0.853 1.00 1.00 C ATOM 274 CD2 PHE A 17 -3.091 5.740 -1.281 1.00 1.32 C ATOM 275 CE1 PHE A 17 -2.375 3.191 -0.325 1.00 1.17 C ATOM 276 CE2 PHE A 17 -1.800 5.514 -0.774 1.00 1.64 C ATOM 277 CZ PHE A 17 -1.446 4.241 -0.284 1.00 1.38 C ATOM 0 H PHE A 17 -6.432 2.964 -0.475 1.00 0.48 H new ATOM 0 HA PHE A 17 -6.138 5.875 -0.014 1.00 0.59 H new ATOM 0 HB2 PHE A 17 -5.754 4.117 -2.453 1.00 0.69 H new ATOM 0 HB3 PHE A 17 -5.485 5.848 -2.385 1.00 0.69 H new ATOM 0 HD1 PHE A 17 -4.361 2.600 -0.905 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -3.363 6.720 -1.645 1.00 1.32 H new ATOM 0 HE1 PHE A 17 -2.106 2.214 0.048 1.00 1.17 H new ATOM 0 HE2 PHE A 17 -1.078 6.317 -0.760 1.00 1.64 H new ATOM 0 HZ PHE A 17 -0.460 4.074 0.123 1.00 1.38 H new ATOM 287 N SER A 18 -8.647 4.379 -1.501 1.00 0.59 N ATOM 288 CA SER A 18 -9.986 4.498 -2.051 1.00 0.65 C ATOM 289 C SER A 18 -11.014 4.885 -1.001 1.00 0.65 C ATOM 290 O SER A 18 -12.087 5.367 -1.348 1.00 0.93 O ATOM 291 CB SER A 18 -10.372 3.178 -2.708 1.00 0.73 C ATOM 292 OG SER A 18 -11.597 3.319 -3.410 1.00 0.87 O ATOM 0 H SER A 18 -8.329 3.411 -1.457 1.00 0.59 H new ATOM 0 HA SER A 18 -9.977 5.300 -2.789 1.00 0.65 H new ATOM 0 HB2 SER A 18 -9.586 2.861 -3.394 1.00 0.73 H new ATOM 0 HB3 SER A 18 -10.466 2.400 -1.950 1.00 0.73 H new ATOM 0 HG SER A 18 -12.094 4.084 -3.051 1.00 0.87 H new ATOM 298 N ASP A 19 -10.707 4.651 0.268 1.00 0.50 N ATOM 299 CA ASP A 19 -11.585 4.885 1.403 1.00 0.56 C ATOM 300 C ASP A 19 -11.429 6.317 1.909 1.00 0.52 C ATOM 301 O ASP A 19 -11.931 6.681 2.965 1.00 0.56 O ATOM 302 CB ASP A 19 -11.168 3.853 2.457 1.00 0.60 C ATOM 303 CG ASP A 19 -12.128 3.676 3.632 1.00 0.80 C ATOM 304 OD1 ASP A 19 -13.350 3.772 3.393 1.00 1.60 O ATOM 305 OD2 ASP A 19 -11.631 3.306 4.723 1.00 1.74 O ATOM 0 H ASP A 19 -9.799 4.277 0.545 1.00 0.50 H new ATOM 0 HA ASP A 19 -12.638 4.773 1.146 1.00 0.56 H new ATOM 0 HB2 ASP A 19 -11.045 2.888 1.965 1.00 0.60 H new ATOM 0 HB3 ASP A 19 -10.192 4.137 2.850 1.00 0.60 H new ATOM 310 N SER A 20 -10.677 7.138 1.166 1.00 0.52 N ATOM 311 CA SER A 20 -10.157 8.414 1.632 1.00 0.55 C ATOM 312 C SER A 20 -9.544 8.290 3.028 1.00 0.57 C ATOM 313 O SER A 20 -9.553 9.246 3.804 1.00 0.62 O ATOM 314 CB SER A 20 -11.260 9.468 1.566 1.00 0.63 C ATOM 315 OG SER A 20 -11.703 9.576 0.228 1.00 1.62 O ATOM 0 H SER A 20 -10.412 6.922 0.205 1.00 0.52 H new ATOM 0 HA SER A 20 -9.347 8.734 0.977 1.00 0.55 H new ATOM 0 HB2 SER A 20 -12.089 9.189 2.217 1.00 0.63 H new ATOM 0 HB3 SER A 20 -10.886 10.429 1.919 1.00 0.63 H new ATOM 0 HG SER A 20 -12.413 10.249 0.172 1.00 1.62 H new ATOM 321 N ASN A 21 -8.954 7.131 3.338 1.00 0.55 N ATOM 322 CA ASN A 21 -8.329 6.934 4.630 1.00 0.59 C ATOM 323 C ASN A 21 -6.942 7.568 4.647 1.00 0.44 C ATOM 324 O ASN A 21 -6.532 8.061 5.686 1.00 0.46 O ATOM 325 CB ASN A 21 -8.284 5.453 5.015 1.00 0.74 C ATOM 326 CG ASN A 21 -7.747 5.307 6.434 1.00 1.50 C ATOM 327 OD1 ASN A 21 -8.344 5.810 7.379 1.00 1.76 O ATOM 328 ND2 ASN A 21 -6.615 4.636 6.600 1.00 2.71 N ATOM 0 H ASN A 21 -8.901 6.328 2.712 1.00 0.55 H new ATOM 0 HA ASN A 21 -8.937 7.433 5.385 1.00 0.59 H new ATOM 0 HB2 ASN A 21 -9.282 5.019 4.947 1.00 0.74 H new ATOM 0 HB3 ASN A 21 -7.650 4.905 4.318 1.00 0.74 H new ATOM 0 HD21 ASN A 21 -6.219 4.527 7.534 1.00 2.71 H new ATOM 0 HD22 ASN A 21 -6.141 4.228 5.794 1.00 2.71 H new ATOM 335 N PHE A 22 -6.220 7.636 3.521 1.00 0.43 N ATOM 336 CA PHE A 22 -4.857 8.159 3.513 1.00 0.42 C ATOM 337 C PHE A 22 -4.748 9.569 4.095 1.00 0.42 C ATOM 338 O PHE A 22 -3.868 9.786 4.927 1.00 0.41 O ATOM 339 CB PHE A 22 -4.228 8.030 2.115 1.00 0.54 C ATOM 340 CG PHE A 22 -3.581 9.284 1.563 1.00 0.49 C ATOM 341 CD1 PHE A 22 -2.384 9.778 2.113 1.00 1.88 C ATOM 342 CD2 PHE A 22 -4.216 9.989 0.529 1.00 1.96 C ATOM 343 CE1 PHE A 22 -1.845 10.987 1.645 1.00 2.08 C ATOM 344 CE2 PHE A 22 -3.700 11.214 0.091 1.00 2.24 C ATOM 345 CZ PHE A 22 -2.508 11.715 0.642 1.00 1.50 C ATOM 0 H PHE A 22 -6.560 7.335 2.608 1.00 0.43 H new ATOM 0 HA PHE A 22 -4.270 7.538 4.190 1.00 0.42 H new ATOM 0 HB2 PHE A 22 -3.477 7.241 2.147 1.00 0.54 H new ATOM 0 HB3 PHE A 22 -5.001 7.706 1.418 1.00 0.54 H new ATOM 0 HD1 PHE A 22 -1.880 9.228 2.894 1.00 1.88 H new ATOM 0 HD2 PHE A 22 -5.106 9.585 0.070 1.00 1.96 H new ATOM 0 HE1 PHE A 22 -0.918 11.359 2.057 1.00 2.08 H new ATOM 0 HE2 PHE A 22 -4.219 11.775 -0.672 1.00 2.24 H new ATOM 0 HZ PHE A 22 -2.103 12.655 0.296 1.00 1.50 H new ATOM 355 N PRO A 23 -5.588 10.544 3.718 1.00 0.48 N ATOM 356 CA PRO A 23 -5.430 11.870 4.270 1.00 0.56 C ATOM 357 C PRO A 23 -5.819 11.901 5.750 1.00 0.57 C ATOM 358 O PRO A 23 -5.375 12.777 6.491 1.00 0.65 O ATOM 359 CB PRO A 23 -6.322 12.779 3.423 1.00 0.67 C ATOM 360 CG PRO A 23 -7.425 11.838 2.942 1.00 0.63 C ATOM 361 CD PRO A 23 -6.695 10.506 2.778 1.00 0.51 C ATOM 0 HA PRO A 23 -4.392 12.202 4.236 1.00 0.56 H new ATOM 0 HB2 PRO A 23 -6.725 13.606 4.008 1.00 0.67 H new ATOM 0 HB3 PRO A 23 -5.774 13.216 2.589 1.00 0.67 H new ATOM 0 HG2 PRO A 23 -8.238 11.766 3.665 1.00 0.63 H new ATOM 0 HG3 PRO A 23 -7.863 12.176 2.003 1.00 0.63 H new ATOM 0 HD2 PRO A 23 -7.359 9.668 2.989 1.00 0.51 H new ATOM 0 HD3 PRO A 23 -6.337 10.380 1.756 1.00 0.51 H new ATOM 369 N ARG A 24 -6.679 10.970 6.173 1.00 0.56 N ATOM 370 CA ARG A 24 -7.214 10.915 7.521 1.00 0.63 C ATOM 371 C ARG A 24 -6.247 10.216 8.470 1.00 0.59 C ATOM 372 O ARG A 24 -6.230 10.527 9.660 1.00 0.79 O ATOM 373 CB ARG A 24 -8.583 10.221 7.450 1.00 0.72 C ATOM 374 CG ARG A 24 -9.360 10.333 8.765 1.00 0.82 C ATOM 375 CD ARG A 24 -9.139 9.118 9.676 1.00 1.40 C ATOM 376 NE ARG A 24 -9.341 9.481 11.086 1.00 2.14 N ATOM 377 CZ ARG A 24 -9.615 8.630 12.081 1.00 2.96 C ATOM 378 NH1 ARG A 24 -9.745 7.327 11.837 1.00 3.28 N ATOM 379 NH2 ARG A 24 -9.757 9.094 13.326 1.00 3.76 N ATOM 0 H ARG A 24 -7.024 10.223 5.571 1.00 0.56 H new ATOM 0 HA ARG A 24 -7.343 11.919 7.927 1.00 0.63 H new ATOM 0 HB2 ARG A 24 -9.170 10.662 6.645 1.00 0.72 H new ATOM 0 HB3 ARG A 24 -8.442 9.169 7.202 1.00 0.72 H new ATOM 0 HG2 ARG A 24 -9.054 11.238 9.289 1.00 0.82 H new ATOM 0 HG3 ARG A 24 -10.424 10.434 8.549 1.00 0.82 H new ATOM 0 HD2 ARG A 24 -9.827 8.320 9.399 1.00 1.40 H new ATOM 0 HD3 ARG A 24 -8.130 8.731 9.536 1.00 1.40 H new ATOM 0 HE ARG A 24 -9.266 10.469 11.327 1.00 2.14 H new ATOM 0 HH11 ARG A 24 -9.636 6.973 10.887 1.00 3.28 H new ATOM 0 HH12 ARG A 24 -9.954 6.684 12.600 1.00 3.28 H new ATOM 0 HH21 ARG A 24 -9.656 10.092 13.513 1.00 3.76 H new ATOM 0 HH22 ARG A 24 -9.966 8.451 14.089 1.00 3.76 H new ATOM 393 N ASP A 25 -5.462 9.260 7.974 1.00 0.44 N ATOM 394 CA ASP A 25 -4.577 8.451 8.788 1.00 0.41 C ATOM 395 C ASP A 25 -3.189 9.059 8.694 1.00 0.36 C ATOM 396 O ASP A 25 -2.470 8.890 7.710 1.00 0.34 O ATOM 397 CB ASP A 25 -4.576 6.981 8.327 1.00 0.48 C ATOM 398 CG ASP A 25 -4.846 5.995 9.460 1.00 1.22 C ATOM 399 OD1 ASP A 25 -4.684 6.397 10.634 1.00 2.26 O ATOM 400 OD2 ASP A 25 -5.185 4.839 9.120 1.00 2.09 O ATOM 0 H ASP A 25 -5.428 9.028 6.981 1.00 0.44 H new ATOM 0 HA ASP A 25 -4.918 8.446 9.823 1.00 0.41 H new ATOM 0 HB2 ASP A 25 -5.331 6.850 7.552 1.00 0.48 H new ATOM 0 HB3 ASP A 25 -3.612 6.750 7.875 1.00 0.48 H new ATOM 405 N LYS A 26 -2.786 9.770 9.742 1.00 0.38 N ATOM 406 CA LYS A 26 -1.483 10.425 9.801 1.00 0.42 C ATOM 407 C LYS A 26 -0.343 9.430 9.580 1.00 0.36 C ATOM 408 O LYS A 26 0.727 9.830 9.138 1.00 0.39 O ATOM 409 CB LYS A 26 -1.337 11.167 11.132 1.00 0.52 C ATOM 410 CG LYS A 26 -2.326 12.341 11.224 1.00 2.39 C ATOM 411 CD LYS A 26 -2.805 12.554 12.663 1.00 2.82 C ATOM 412 CE LYS A 26 -1.634 12.890 13.590 1.00 3.60 C ATOM 413 NZ LYS A 26 -2.063 12.960 15.004 1.00 4.58 N ATOM 0 H LYS A 26 -3.355 9.909 10.577 1.00 0.38 H new ATOM 0 HA LYS A 26 -1.422 11.152 8.991 1.00 0.42 H new ATOM 0 HB2 LYS A 26 -1.510 10.476 11.957 1.00 0.52 H new ATOM 0 HB3 LYS A 26 -0.317 11.538 11.235 1.00 0.52 H new ATOM 0 HG2 LYS A 26 -1.849 13.251 10.859 1.00 2.39 H new ATOM 0 HG3 LYS A 26 -3.183 12.149 10.578 1.00 2.39 H new ATOM 0 HD2 LYS A 26 -3.537 13.361 12.690 1.00 2.82 H new ATOM 0 HD3 LYS A 26 -3.308 11.655 13.019 1.00 2.82 H new ATOM 0 HE2 LYS A 26 -0.855 12.135 13.482 1.00 3.60 H new ATOM 0 HE3 LYS A 26 -1.197 13.844 13.294 1.00 3.60 H new ATOM 0 HZ1 LYS A 26 -1.245 13.189 15.604 1.00 4.58 H new ATOM 0 HZ2 LYS A 26 -2.788 13.698 15.111 1.00 4.58 H new ATOM 0 HZ3 LYS A 26 -2.458 12.042 15.293 1.00 4.58 H new ATOM 427 N PHE A 27 -0.571 8.145 9.854 1.00 0.33 N ATOM 428 CA PHE A 27 0.338 7.060 9.524 1.00 0.33 C ATOM 429 C PHE A 27 0.653 7.066 8.028 1.00 0.29 C ATOM 430 O PHE A 27 1.808 7.216 7.634 1.00 0.35 O ATOM 431 CB PHE A 27 -0.329 5.750 9.955 1.00 0.35 C ATOM 432 CG PHE A 27 0.558 4.533 9.821 1.00 0.37 C ATOM 433 CD1 PHE A 27 1.780 4.494 10.513 1.00 1.94 C ATOM 434 CD2 PHE A 27 0.163 3.435 9.031 1.00 1.79 C ATOM 435 CE1 PHE A 27 2.601 3.361 10.428 1.00 1.96 C ATOM 436 CE2 PHE A 27 0.984 2.296 8.954 1.00 1.79 C ATOM 437 CZ PHE A 27 2.199 2.254 9.661 1.00 0.48 C ATOM 0 H PHE A 27 -1.418 7.827 10.325 1.00 0.33 H new ATOM 0 HA PHE A 27 1.288 7.176 10.046 1.00 0.33 H new ATOM 0 HB2 PHE A 27 -0.648 5.841 10.993 1.00 0.35 H new ATOM 0 HB3 PHE A 27 -1.228 5.599 9.358 1.00 0.35 H new ATOM 0 HD1 PHE A 27 2.087 5.339 11.112 1.00 1.94 H new ATOM 0 HD2 PHE A 27 -0.769 3.468 8.486 1.00 1.79 H new ATOM 0 HE1 PHE A 27 3.545 3.339 10.953 1.00 1.96 H new ATOM 0 HE2 PHE A 27 0.681 1.453 8.351 1.00 1.79 H new ATOM 0 HZ PHE A 27 2.822 1.373 9.615 1.00 0.48 H new ATOM 447 N LEU A 28 -0.384 6.942 7.194 1.00 0.25 N ATOM 448 CA LEU A 28 -0.237 6.964 5.743 1.00 0.26 C ATOM 449 C LEU A 28 0.412 8.272 5.343 1.00 0.29 C ATOM 450 O LEU A 28 1.434 8.281 4.670 1.00 0.35 O ATOM 451 CB LEU A 28 -1.604 6.848 5.060 1.00 0.29 C ATOM 452 CG LEU A 28 -2.040 5.381 4.945 1.00 0.32 C ATOM 453 CD1 LEU A 28 -3.573 5.259 4.957 1.00 0.55 C ATOM 454 CD2 LEU A 28 -1.433 4.764 3.671 1.00 0.58 C ATOM 0 H LEU A 28 -1.347 6.824 7.510 1.00 0.25 H new ATOM 0 HA LEU A 28 0.379 6.120 5.432 1.00 0.26 H new ATOM 0 HB2 LEU A 28 -2.347 7.408 5.628 1.00 0.29 H new ATOM 0 HB3 LEU A 28 -1.558 7.296 4.067 1.00 0.29 H new ATOM 0 HG LEU A 28 -1.670 4.829 5.809 1.00 0.32 H new ATOM 0 HD11 LEU A 28 -3.855 4.209 4.874 1.00 0.55 H new ATOM 0 HD12 LEU A 28 -3.963 5.667 5.889 1.00 0.55 H new ATOM 0 HD13 LEU A 28 -3.989 5.814 4.116 1.00 0.55 H new ATOM 0 HD21 LEU A 28 -1.742 3.722 3.588 1.00 0.58 H new ATOM 0 HD22 LEU A 28 -1.781 5.316 2.798 1.00 0.58 H new ATOM 0 HD23 LEU A 28 -0.346 4.817 3.724 1.00 0.58 H new ATOM 466 N ARG A 29 -0.191 9.383 5.755 1.00 0.34 N ATOM 467 CA ARG A 29 0.221 10.720 5.371 1.00 0.43 C ATOM 468 C ARG A 29 1.681 10.982 5.719 1.00 0.44 C ATOM 469 O ARG A 29 2.332 11.731 5.003 1.00 0.49 O ATOM 470 CB ARG A 29 -0.712 11.774 5.985 1.00 0.54 C ATOM 471 CG ARG A 29 -0.925 12.891 4.960 1.00 1.12 C ATOM 472 CD ARG A 29 -1.700 14.072 5.545 1.00 1.24 C ATOM 473 NE ARG A 29 -1.905 15.104 4.518 1.00 2.02 N ATOM 474 CZ ARG A 29 -2.353 16.346 4.739 1.00 2.52 C ATOM 475 NH1 ARG A 29 -2.704 16.719 5.969 1.00 2.98 N ATOM 476 NH2 ARG A 29 -2.444 17.212 3.727 1.00 3.43 N ATOM 0 H ARG A 29 -0.998 9.373 6.379 1.00 0.34 H new ATOM 0 HA ARG A 29 0.140 10.797 4.287 1.00 0.43 H new ATOM 0 HB2 ARG A 29 -1.666 11.323 6.257 1.00 0.54 H new ATOM 0 HB3 ARG A 29 -0.278 12.177 6.900 1.00 0.54 H new ATOM 0 HG2 ARG A 29 0.042 13.238 4.597 1.00 1.12 H new ATOM 0 HG3 ARG A 29 -1.465 12.495 4.100 1.00 1.12 H new ATOM 0 HD2 ARG A 29 -2.663 13.732 5.926 1.00 1.24 H new ATOM 0 HD3 ARG A 29 -1.154 14.492 6.389 1.00 1.24 H new ATOM 0 HE ARG A 29 -1.687 14.852 3.554 1.00 2.02 H new ATOM 0 HH11 ARG A 29 -2.631 16.058 6.743 1.00 2.98 H new ATOM 0 HH12 ARG A 29 -3.045 17.665 6.137 1.00 2.98 H new ATOM 0 HH21 ARG A 29 -2.172 16.927 2.786 1.00 3.43 H new ATOM 0 HH22 ARG A 29 -2.785 18.158 3.895 1.00 3.43 H new ATOM 490 N SER A 30 2.203 10.393 6.795 1.00 0.43 N ATOM 491 CA SER A 30 3.593 10.576 7.182 1.00 0.49 C ATOM 492 C SER A 30 4.510 9.999 6.117 1.00 0.43 C ATOM 493 O SER A 30 5.554 10.580 5.822 1.00 0.45 O ATOM 494 CB SER A 30 3.856 9.893 8.530 1.00 0.56 C ATOM 495 OG SER A 30 5.149 10.207 9.010 1.00 1.29 O ATOM 0 H SER A 30 1.674 9.780 7.416 1.00 0.43 H new ATOM 0 HA SER A 30 3.796 11.642 7.281 1.00 0.49 H new ATOM 0 HB2 SER A 30 3.107 10.211 9.256 1.00 0.56 H new ATOM 0 HB3 SER A 30 3.756 8.813 8.421 1.00 0.56 H new ATOM 0 HG SER A 30 5.295 9.763 9.871 1.00 1.29 H new ATOM 501 N GLU A 31 4.178 8.824 5.584 1.00 0.36 N ATOM 502 CA GLU A 31 5.061 8.227 4.602 1.00 0.33 C ATOM 503 C GLU A 31 4.834 8.890 3.252 1.00 0.28 C ATOM 504 O GLU A 31 5.797 9.236 2.576 1.00 0.31 O ATOM 505 CB GLU A 31 4.902 6.706 4.588 1.00 0.36 C ATOM 506 CG GLU A 31 6.142 6.002 4.017 1.00 1.07 C ATOM 507 CD GLU A 31 7.444 6.376 4.725 1.00 1.69 C ATOM 508 OE1 GLU A 31 7.401 6.763 5.913 1.00 2.26 O ATOM 509 OE2 GLU A 31 8.494 6.404 4.047 1.00 2.59 O ATOM 0 H GLU A 31 3.338 8.290 5.808 1.00 0.36 H new ATOM 0 HA GLU A 31 6.103 8.404 4.867 1.00 0.33 H new ATOM 0 HB2 GLU A 31 4.719 6.351 5.602 1.00 0.36 H new ATOM 0 HB3 GLU A 31 4.028 6.439 3.994 1.00 0.36 H new ATOM 0 HG2 GLU A 31 5.999 4.923 4.085 1.00 1.07 H new ATOM 0 HG3 GLU A 31 6.232 6.246 2.958 1.00 1.07 H new ATOM 516 N ALA A 32 3.573 9.156 2.902 1.00 0.27 N ATOM 517 CA ALA A 32 3.206 9.850 1.679 1.00 0.30 C ATOM 518 C ALA A 32 3.949 11.186 1.582 1.00 0.35 C ATOM 519 O ALA A 32 4.446 11.554 0.520 1.00 0.39 O ATOM 520 CB ALA A 32 1.687 10.038 1.671 1.00 0.33 C ATOM 0 H ALA A 32 2.771 8.889 3.473 1.00 0.27 H new ATOM 0 HA ALA A 32 3.494 9.265 0.805 1.00 0.30 H new ATOM 0 HB1 ALA A 32 1.390 10.558 0.760 1.00 0.33 H new ATOM 0 HB2 ALA A 32 1.200 9.064 1.709 1.00 0.33 H new ATOM 0 HB3 ALA A 32 1.389 10.627 2.539 1.00 0.33 H new ATOM 526 N ALA A 33 4.090 11.886 2.714 1.00 0.40 N ATOM 527 CA ALA A 33 4.757 13.176 2.827 1.00 0.46 C ATOM 528 C ALA A 33 6.235 13.151 2.420 1.00 0.46 C ATOM 529 O ALA A 33 6.841 14.214 2.313 1.00 0.62 O ATOM 530 CB ALA A 33 4.609 13.707 4.258 1.00 0.54 C ATOM 0 H ALA A 33 3.727 11.551 3.607 1.00 0.40 H new ATOM 0 HA ALA A 33 4.265 13.843 2.119 1.00 0.46 H new ATOM 0 HB1 ALA A 33 5.108 14.672 4.341 1.00 0.54 H new ATOM 0 HB2 ALA A 33 3.552 13.824 4.495 1.00 0.54 H new ATOM 0 HB3 ALA A 33 5.062 13.003 4.956 1.00 0.54 H new ATOM 536 N LYS A 34 6.830 11.989 2.125 1.00 0.38 N ATOM 537 CA LYS A 34 8.196 11.952 1.622 1.00 0.39 C ATOM 538 C LYS A 34 8.193 12.303 0.135 1.00 0.40 C ATOM 539 O LYS A 34 9.186 12.832 -0.353 1.00 0.50 O ATOM 540 CB LYS A 34 8.828 10.564 1.852 1.00 0.41 C ATOM 541 CG LYS A 34 9.964 10.602 2.883 1.00 0.58 C ATOM 542 CD LYS A 34 9.501 10.995 4.293 1.00 0.84 C ATOM 543 CE LYS A 34 8.593 9.951 4.957 1.00 1.97 C ATOM 544 NZ LYS A 34 9.302 8.687 5.254 1.00 3.00 N ATOM 0 H LYS A 34 6.388 11.075 2.226 1.00 0.38 H new ATOM 0 HA LYS A 34 8.797 12.682 2.164 1.00 0.39 H new ATOM 0 HB2 LYS A 34 8.059 9.869 2.188 1.00 0.41 H new ATOM 0 HB3 LYS A 34 9.212 10.181 0.906 1.00 0.41 H new ATOM 0 HG2 LYS A 34 10.438 9.621 2.925 1.00 0.58 H new ATOM 0 HG3 LYS A 34 10.723 11.309 2.549 1.00 0.58 H new ATOM 0 HD2 LYS A 34 10.377 11.155 4.922 1.00 0.84 H new ATOM 0 HD3 LYS A 34 8.969 11.945 4.240 1.00 0.84 H new ATOM 0 HE2 LYS A 34 8.189 10.362 5.882 1.00 1.97 H new ATOM 0 HE3 LYS A 34 7.746 9.743 4.303 1.00 1.97 H new ATOM 0 HZ1 LYS A 34 8.847 8.215 6.061 1.00 3.00 H new ATOM 0 HZ2 LYS A 34 9.264 8.064 4.422 1.00 3.00 H new ATOM 0 HZ3 LYS A 34 10.294 8.892 5.488 1.00 3.00 H new ATOM 558 N ASN A 35 7.103 12.046 -0.598 1.00 0.38 N ATOM 559 CA ASN A 35 6.987 12.504 -1.976 1.00 0.45 C ATOM 560 C ASN A 35 5.528 12.696 -2.376 1.00 0.47 C ATOM 561 O ASN A 35 5.080 12.093 -3.355 1.00 0.60 O ATOM 562 CB ASN A 35 7.707 11.525 -2.914 1.00 0.56 C ATOM 563 CG ASN A 35 8.217 12.210 -4.176 1.00 0.87 C ATOM 564 OD1 ASN A 35 9.413 12.254 -4.424 1.00 1.85 O ATOM 565 ND2 ASN A 35 7.338 12.767 -4.996 1.00 2.22 N ATOM 0 H ASN A 35 6.295 11.525 -0.256 1.00 0.38 H new ATOM 0 HA ASN A 35 7.468 13.478 -2.062 1.00 0.45 H new ATOM 0 HB2 ASN A 35 8.544 11.068 -2.387 1.00 0.56 H new ATOM 0 HB3 ASN A 35 7.026 10.720 -3.189 1.00 0.56 H new ATOM 0 HD21 ASN A 35 7.657 13.238 -5.843 1.00 2.22 H new ATOM 0 HD22 ASN A 35 6.342 12.725 -4.781 1.00 2.22 H new ATOM 572 N VAL A 36 4.803 13.568 -1.665 1.00 0.48 N ATOM 573 CA VAL A 36 3.376 13.836 -1.857 1.00 0.51 C ATOM 574 C VAL A 36 2.542 12.603 -1.509 1.00 0.47 C ATOM 575 O VAL A 36 1.866 12.597 -0.484 1.00 0.46 O ATOM 576 CB VAL A 36 3.116 14.437 -3.259 1.00 0.59 C ATOM 577 CG1 VAL A 36 1.725 14.146 -3.825 1.00 0.74 C ATOM 578 CG2 VAL A 36 3.325 15.952 -3.200 1.00 0.62 C ATOM 0 H VAL A 36 5.210 14.125 -0.914 1.00 0.48 H new ATOM 0 HA VAL A 36 3.043 14.603 -1.158 1.00 0.51 H new ATOM 0 HB VAL A 36 3.825 13.955 -3.932 1.00 0.59 H new ATOM 0 HG11 VAL A 36 1.630 14.604 -4.809 1.00 0.74 H new ATOM 0 HG12 VAL A 36 1.585 13.068 -3.911 1.00 0.74 H new ATOM 0 HG13 VAL A 36 0.967 14.558 -3.158 1.00 0.74 H new ATOM 0 HG21 VAL A 36 3.144 16.383 -4.185 1.00 0.62 H new ATOM 0 HG22 VAL A 36 2.632 16.387 -2.480 1.00 0.62 H new ATOM 0 HG23 VAL A 36 4.349 16.166 -2.893 1.00 0.62 H new ATOM 588 N ASP A 37 2.567 11.595 -2.378 1.00 0.47 N ATOM 589 CA ASP A 37 1.875 10.319 -2.238 1.00 0.46 C ATOM 590 C ASP A 37 2.439 9.325 -3.269 1.00 0.46 C ATOM 591 O ASP A 37 1.725 8.515 -3.863 1.00 0.56 O ATOM 592 CB ASP A 37 0.367 10.549 -2.426 1.00 0.63 C ATOM 593 CG ASP A 37 -0.489 9.502 -1.722 1.00 1.04 C ATOM 594 OD1 ASP A 37 0.073 8.597 -1.068 1.00 2.05 O ATOM 595 OD2 ASP A 37 -1.725 9.656 -1.843 1.00 1.89 O ATOM 0 H ASP A 37 3.100 11.651 -3.246 1.00 0.47 H new ATOM 0 HA ASP A 37 2.032 9.896 -1.246 1.00 0.46 H new ATOM 0 HB2 ASP A 37 0.106 11.537 -2.048 1.00 0.63 H new ATOM 0 HB3 ASP A 37 0.135 10.544 -3.491 1.00 0.63 H new ATOM 600 N ASN A 38 3.742 9.460 -3.555 1.00 0.41 N ATOM 601 CA ASN A 38 4.459 8.645 -4.530 1.00 0.45 C ATOM 602 C ASN A 38 5.401 7.657 -3.850 1.00 0.42 C ATOM 603 O ASN A 38 5.799 6.662 -4.452 1.00 0.58 O ATOM 604 CB ASN A 38 5.238 9.522 -5.518 1.00 0.52 C ATOM 605 CG ASN A 38 4.311 10.293 -6.444 1.00 1.06 C ATOM 606 OD1 ASN A 38 3.990 9.827 -7.529 1.00 2.03 O ATOM 607 ND2 ASN A 38 3.872 11.475 -6.036 1.00 1.84 N ATOM 0 H ASN A 38 4.334 10.156 -3.102 1.00 0.41 H new ATOM 0 HA ASN A 38 3.712 8.076 -5.084 1.00 0.45 H new ATOM 0 HB2 ASN A 38 5.865 10.223 -4.966 1.00 0.52 H new ATOM 0 HB3 ASN A 38 5.905 8.896 -6.111 1.00 0.52 H new ATOM 0 HD21 ASN A 38 3.250 12.021 -6.632 1.00 1.84 H new ATOM 0 HD22 ASN A 38 4.156 11.838 -5.126 1.00 1.84 H new ATOM 614 N TYR A 39 5.852 7.980 -2.638 1.00 0.46 N ATOM 615 CA TYR A 39 6.849 7.216 -1.912 1.00 0.51 C ATOM 616 C TYR A 39 6.144 6.716 -0.663 1.00 0.47 C ATOM 617 O TYR A 39 5.687 7.522 0.142 1.00 0.54 O ATOM 618 CB TYR A 39 8.063 8.101 -1.576 1.00 0.65 C ATOM 619 CG TYR A 39 9.170 8.154 -2.624 1.00 1.18 C ATOM 620 CD1 TYR A 39 8.902 7.981 -3.996 1.00 2.72 C ATOM 621 CD2 TYR A 39 10.499 8.370 -2.209 1.00 1.90 C ATOM 622 CE1 TYR A 39 9.940 8.011 -4.941 1.00 3.34 C ATOM 623 CE2 TYR A 39 11.547 8.405 -3.148 1.00 2.30 C ATOM 624 CZ TYR A 39 11.269 8.224 -4.522 1.00 2.61 C ATOM 625 OH TYR A 39 12.267 8.243 -5.451 1.00 3.33 O ATOM 0 H TYR A 39 5.523 8.800 -2.128 1.00 0.46 H new ATOM 0 HA TYR A 39 7.241 6.382 -2.495 1.00 0.51 H new ATOM 0 HB2 TYR A 39 7.708 9.117 -1.401 1.00 0.65 H new ATOM 0 HB3 TYR A 39 8.495 7.748 -0.639 1.00 0.65 H new ATOM 0 HD1 TYR A 39 7.886 7.823 -4.325 1.00 2.72 H new ATOM 0 HD2 TYR A 39 10.716 8.510 -1.160 1.00 1.90 H new ATOM 0 HE1 TYR A 39 9.720 7.871 -5.989 1.00 3.34 H new ATOM 0 HE2 TYR A 39 12.562 8.570 -2.819 1.00 2.30 H new ATOM 0 HH TYR A 39 13.125 8.401 -5.006 1.00 3.33 H new ATOM 635 N ILE A 40 5.968 5.398 -0.558 1.00 0.39 N ATOM 636 CA ILE A 40 5.270 4.758 0.540 1.00 0.38 C ATOM 637 C ILE A 40 6.031 3.466 0.843 1.00 0.31 C ATOM 638 O ILE A 40 5.937 2.520 0.060 1.00 0.26 O ATOM 639 CB ILE A 40 3.791 4.507 0.179 1.00 0.42 C ATOM 640 CG1 ILE A 40 3.150 5.721 -0.524 1.00 0.54 C ATOM 641 CG2 ILE A 40 3.018 4.146 1.455 1.00 0.57 C ATOM 642 CD1 ILE A 40 1.694 5.494 -0.932 1.00 0.57 C ATOM 0 H ILE A 40 6.317 4.738 -1.253 1.00 0.39 H new ATOM 0 HA ILE A 40 5.247 5.391 1.427 1.00 0.38 H new ATOM 0 HB ILE A 40 3.745 3.678 -0.528 1.00 0.42 H new ATOM 0 HG12 ILE A 40 3.202 6.584 0.140 1.00 0.54 H new ATOM 0 HG13 ILE A 40 3.733 5.966 -1.412 1.00 0.54 H new ATOM 0 HG21 ILE A 40 1.972 3.967 1.208 1.00 0.57 H new ATOM 0 HG22 ILE A 40 3.446 3.246 1.897 1.00 0.57 H new ATOM 0 HG23 ILE A 40 3.087 4.968 2.167 1.00 0.57 H new ATOM 0 HD11 ILE A 40 1.309 6.389 -1.420 1.00 0.57 H new ATOM 0 HD12 ILE A 40 1.636 4.652 -1.621 1.00 0.57 H new ATOM 0 HD13 ILE A 40 1.097 5.279 -0.046 1.00 0.57 H new ATOM 654 N SER A 41 6.808 3.424 1.929 1.00 0.35 N ATOM 655 CA SER A 41 7.572 2.242 2.281 1.00 0.30 C ATOM 656 C SER A 41 6.663 1.040 2.488 1.00 0.27 C ATOM 657 O SER A 41 5.638 1.125 3.170 1.00 0.29 O ATOM 658 CB SER A 41 8.442 2.471 3.518 1.00 0.36 C ATOM 659 OG SER A 41 9.255 1.321 3.652 1.00 1.31 O ATOM 0 H SER A 41 6.919 4.203 2.577 1.00 0.35 H new ATOM 0 HA SER A 41 8.236 2.034 1.442 1.00 0.30 H new ATOM 0 HB2 SER A 41 9.052 3.367 3.403 1.00 0.36 H new ATOM 0 HB3 SER A 41 7.826 2.616 4.405 1.00 0.36 H new ATOM 0 HG SER A 41 9.592 1.264 4.570 1.00 1.31 H new ATOM 665 N ILE A 42 7.107 -0.119 2.000 1.00 0.24 N ATOM 666 CA ILE A 42 6.494 -1.382 2.377 1.00 0.25 C ATOM 667 C ILE A 42 6.576 -1.637 3.880 1.00 0.28 C ATOM 668 O ILE A 42 5.911 -2.546 4.351 1.00 0.32 O ATOM 669 CB ILE A 42 7.087 -2.568 1.605 1.00 0.29 C ATOM 670 CG1 ILE A 42 8.580 -2.801 1.898 1.00 1.51 C ATOM 671 CG2 ILE A 42 6.836 -2.369 0.112 1.00 1.56 C ATOM 672 CD1 ILE A 42 8.852 -4.287 2.147 1.00 1.87 C ATOM 0 H ILE A 42 7.885 -0.204 1.346 1.00 0.24 H new ATOM 0 HA ILE A 42 5.442 -1.295 2.106 1.00 0.25 H new ATOM 0 HB ILE A 42 6.583 -3.472 1.947 1.00 0.29 H new ATOM 0 HG12 ILE A 42 9.180 -2.451 1.058 1.00 1.51 H new ATOM 0 HG13 ILE A 42 8.881 -2.219 2.769 1.00 1.51 H new ATOM 0 HG21 ILE A 42 7.255 -3.209 -0.442 1.00 1.56 H new ATOM 0 HG22 ILE A 42 5.763 -2.312 -0.072 1.00 1.56 H new ATOM 0 HG23 ILE A 42 7.310 -1.444 -0.217 1.00 1.56 H new ATOM 0 HD11 ILE A 42 9.912 -4.433 2.352 1.00 1.87 H new ATOM 0 HD12 ILE A 42 8.267 -4.626 3.002 1.00 1.87 H new ATOM 0 HD13 ILE A 42 8.571 -4.861 1.264 1.00 1.87 H new ATOM 684 N ASP A 43 7.345 -0.866 4.649 1.00 0.30 N ATOM 685 CA ASP A 43 7.327 -0.989 6.103 1.00 0.33 C ATOM 686 C ASP A 43 5.956 -0.586 6.631 1.00 0.30 C ATOM 687 O ASP A 43 5.379 -1.270 7.469 1.00 0.33 O ATOM 688 CB ASP A 43 8.399 -0.105 6.746 1.00 0.42 C ATOM 689 CG ASP A 43 9.809 -0.545 6.375 1.00 0.96 C ATOM 690 OD1 ASP A 43 10.115 -1.737 6.595 1.00 1.88 O ATOM 691 OD2 ASP A 43 10.545 0.322 5.853 1.00 2.03 O ATOM 0 H ASP A 43 7.983 -0.155 4.291 1.00 0.30 H new ATOM 0 HA ASP A 43 7.537 -2.027 6.361 1.00 0.33 H new ATOM 0 HB2 ASP A 43 8.249 0.929 6.434 1.00 0.42 H new ATOM 0 HB3 ASP A 43 8.286 -0.131 7.830 1.00 0.42 H new ATOM 696 N VAL A 44 5.414 0.530 6.139 1.00 0.29 N ATOM 697 CA VAL A 44 4.133 1.058 6.565 1.00 0.31 C ATOM 698 C VAL A 44 3.051 0.061 6.179 1.00 0.30 C ATOM 699 O VAL A 44 2.200 -0.296 6.990 1.00 0.32 O ATOM 700 CB VAL A 44 3.955 2.456 5.935 1.00 0.33 C ATOM 701 CG1 VAL A 44 2.544 2.760 5.434 1.00 0.42 C ATOM 702 CG2 VAL A 44 4.373 3.508 6.959 1.00 0.40 C ATOM 0 H VAL A 44 5.867 1.096 5.421 1.00 0.29 H new ATOM 0 HA VAL A 44 4.068 1.187 7.645 1.00 0.31 H new ATOM 0 HB VAL A 44 4.587 2.477 5.047 1.00 0.33 H new ATOM 0 HG11 VAL A 44 2.517 3.763 5.009 1.00 0.42 H new ATOM 0 HG12 VAL A 44 2.265 2.034 4.670 1.00 0.42 H new ATOM 0 HG13 VAL A 44 1.842 2.700 6.265 1.00 0.42 H new ATOM 0 HG21 VAL A 44 4.253 4.502 6.529 1.00 0.40 H new ATOM 0 HG22 VAL A 44 3.748 3.419 7.848 1.00 0.40 H new ATOM 0 HG23 VAL A 44 5.417 3.355 7.233 1.00 0.40 H new ATOM 712 N ILE A 45 3.094 -0.405 4.934 1.00 0.28 N ATOM 713 CA ILE A 45 2.044 -1.239 4.380 1.00 0.31 C ATOM 714 C ILE A 45 2.113 -2.626 5.014 1.00 0.33 C ATOM 715 O ILE A 45 1.093 -3.234 5.307 1.00 0.39 O ATOM 716 CB ILE A 45 2.168 -1.296 2.849 1.00 0.36 C ATOM 717 CG1 ILE A 45 2.380 0.103 2.221 1.00 0.41 C ATOM 718 CG2 ILE A 45 0.900 -1.911 2.236 1.00 0.44 C ATOM 719 CD1 ILE A 45 2.833 0.032 0.765 1.00 0.48 C ATOM 0 H ILE A 45 3.858 -0.213 4.286 1.00 0.28 H new ATOM 0 HA ILE A 45 1.067 -0.813 4.609 1.00 0.31 H new ATOM 0 HB ILE A 45 3.042 -1.910 2.631 1.00 0.36 H new ATOM 0 HG12 ILE A 45 1.450 0.668 2.281 1.00 0.41 H new ATOM 0 HG13 ILE A 45 3.123 0.649 2.802 1.00 0.41 H new ATOM 0 HG21 ILE A 45 1.000 -1.946 1.151 1.00 0.44 H new ATOM 0 HG22 ILE A 45 0.763 -2.922 2.620 1.00 0.44 H new ATOM 0 HG23 ILE A 45 0.036 -1.302 2.501 1.00 0.44 H new ATOM 0 HD11 ILE A 45 2.966 1.041 0.376 1.00 0.48 H new ATOM 0 HD12 ILE A 45 3.778 -0.508 0.704 1.00 0.48 H new ATOM 0 HD13 ILE A 45 2.079 -0.488 0.174 1.00 0.48 H new ATOM 731 N ALA A 46 3.311 -3.138 5.272 1.00 0.32 N ATOM 732 CA ALA A 46 3.465 -4.372 6.019 1.00 0.36 C ATOM 733 C ALA A 46 3.003 -4.175 7.463 1.00 0.39 C ATOM 734 O ALA A 46 2.531 -5.115 8.097 1.00 0.52 O ATOM 735 CB ALA A 46 4.920 -4.844 5.987 1.00 0.33 C ATOM 0 H ALA A 46 4.189 -2.714 4.972 1.00 0.32 H new ATOM 0 HA ALA A 46 2.846 -5.138 5.552 1.00 0.36 H new ATOM 0 HB1 ALA A 46 5.014 -5.771 6.553 1.00 0.33 H new ATOM 0 HB2 ALA A 46 5.224 -5.017 4.955 1.00 0.33 H new ATOM 0 HB3 ALA A 46 5.560 -4.081 6.431 1.00 0.33 H new ATOM 741 N SER A 47 3.142 -2.957 7.991 1.00 0.35 N ATOM 742 CA SER A 47 2.779 -2.638 9.362 1.00 0.37 C ATOM 743 C SER A 47 1.351 -2.089 9.457 1.00 0.39 C ATOM 744 O SER A 47 0.961 -1.612 10.521 1.00 0.52 O ATOM 745 CB SER A 47 3.803 -1.650 9.933 1.00 0.38 C ATOM 746 OG SER A 47 3.623 -1.482 11.325 1.00 0.53 O ATOM 0 H SER A 47 3.513 -2.162 7.470 1.00 0.35 H new ATOM 0 HA SER A 47 2.795 -3.552 9.956 1.00 0.37 H new ATOM 0 HB2 SER A 47 4.812 -2.011 9.734 1.00 0.38 H new ATOM 0 HB3 SER A 47 3.704 -0.688 9.431 1.00 0.38 H new ATOM 0 HG SER A 47 2.666 -1.499 11.535 1.00 0.53 H new ATOM 752 N PHE A 48 0.526 -2.203 8.411 1.00 0.34 N ATOM 753 CA PHE A 48 -0.837 -1.666 8.416 1.00 0.36 C ATOM 754 C PHE A 48 -1.815 -2.423 9.334 1.00 0.43 C ATOM 755 O PHE A 48 -3.025 -2.216 9.219 1.00 0.80 O ATOM 756 CB PHE A 48 -1.382 -1.697 6.978 1.00 0.34 C ATOM 757 CG PHE A 48 -1.669 -0.385 6.305 1.00 0.37 C ATOM 758 CD1 PHE A 48 -2.281 0.674 6.997 1.00 1.56 C ATOM 759 CD2 PHE A 48 -1.432 -0.291 4.923 1.00 1.79 C ATOM 760 CE1 PHE A 48 -2.659 1.828 6.296 1.00 1.54 C ATOM 761 CE2 PHE A 48 -1.788 0.867 4.226 1.00 1.90 C ATOM 762 CZ PHE A 48 -2.424 1.907 4.912 1.00 0.70 C ATOM 0 H PHE A 48 0.784 -2.668 7.541 1.00 0.34 H new ATOM 0 HA PHE A 48 -0.769 -0.652 8.811 1.00 0.36 H new ATOM 0 HB2 PHE A 48 -0.666 -2.239 6.361 1.00 0.34 H new ATOM 0 HB3 PHE A 48 -2.304 -2.279 6.983 1.00 0.34 H new ATOM 0 HD1 PHE A 48 -2.459 0.600 8.060 1.00 1.56 H new ATOM 0 HD2 PHE A 48 -0.973 -1.116 4.398 1.00 1.79 H new ATOM 0 HE1 PHE A 48 -3.128 2.651 6.816 1.00 1.54 H new ATOM 0 HE2 PHE A 48 -1.575 0.958 3.171 1.00 1.90 H new ATOM 0 HZ PHE A 48 -2.740 2.786 4.369 1.00 0.70 H new ATOM 772 N ASN A 49 -1.335 -3.311 10.213 1.00 0.44 N ATOM 773 CA ASN A 49 -2.114 -4.236 11.035 1.00 0.49 C ATOM 774 C ASN A 49 -2.964 -5.165 10.182 1.00 0.49 C ATOM 775 O ASN A 49 -2.589 -6.312 9.960 1.00 0.49 O ATOM 776 CB ASN A 49 -2.964 -3.491 12.090 1.00 0.62 C ATOM 777 CG ASN A 49 -2.488 -3.750 13.513 1.00 1.24 C ATOM 778 OD1 ASN A 49 -1.900 -4.784 13.804 1.00 1.45 O ATOM 779 ND2 ASN A 49 -2.751 -2.828 14.428 1.00 2.27 N ATOM 0 H ASN A 49 -0.333 -3.406 10.377 1.00 0.44 H new ATOM 0 HA ASN A 49 -1.403 -4.858 11.579 1.00 0.49 H new ATOM 0 HB2 ASN A 49 -2.930 -2.420 11.889 1.00 0.62 H new ATOM 0 HB3 ASN A 49 -4.005 -3.800 11.997 1.00 0.62 H new ATOM 0 HD21 ASN A 49 -2.462 -2.973 15.396 1.00 2.27 H new ATOM 0 HD22 ASN A 49 -3.242 -1.974 14.165 1.00 2.27 H new ATOM 786 N ARG A 50 -4.097 -4.685 9.669 1.00 0.54 N ATOM 787 CA ARG A 50 -4.986 -5.486 8.846 1.00 0.58 C ATOM 788 C ARG A 50 -4.215 -6.090 7.682 1.00 0.52 C ATOM 789 O ARG A 50 -4.436 -7.238 7.340 1.00 0.57 O ATOM 790 CB ARG A 50 -6.143 -4.628 8.336 1.00 0.68 C ATOM 791 CG ARG A 50 -7.294 -5.522 7.887 1.00 0.92 C ATOM 792 CD ARG A 50 -8.279 -4.708 7.054 1.00 0.97 C ATOM 793 NE ARG A 50 -9.415 -5.552 6.671 1.00 1.89 N ATOM 794 CZ ARG A 50 -10.544 -5.745 7.358 1.00 2.33 C ATOM 795 NH1 ARG A 50 -10.788 -5.046 8.467 1.00 2.82 N ATOM 796 NH2 ARG A 50 -11.422 -6.653 6.932 1.00 3.30 N ATOM 0 H ARG A 50 -4.419 -3.728 9.816 1.00 0.54 H new ATOM 0 HA ARG A 50 -5.396 -6.297 9.449 1.00 0.58 H new ATOM 0 HB2 ARG A 50 -6.481 -3.953 9.122 1.00 0.68 H new ATOM 0 HB3 ARG A 50 -5.808 -4.007 7.505 1.00 0.68 H new ATOM 0 HG2 ARG A 50 -6.911 -6.358 7.302 1.00 0.92 H new ATOM 0 HG3 ARG A 50 -7.799 -5.945 8.755 1.00 0.92 H new ATOM 0 HD2 ARG A 50 -8.629 -3.847 7.624 1.00 0.97 H new ATOM 0 HD3 ARG A 50 -7.784 -4.321 6.163 1.00 0.97 H new ATOM 0 HE ARG A 50 -9.334 -6.046 5.782 1.00 1.89 H new ATOM 0 HH11 ARG A 50 -10.110 -4.358 8.796 1.00 2.82 H new ATOM 0 HH12 ARG A 50 -11.652 -5.199 8.986 1.00 2.82 H new ATOM 0 HH21 ARG A 50 -11.229 -7.193 6.088 1.00 3.30 H new ATOM 0 HH22 ARG A 50 -12.287 -6.808 7.450 1.00 3.30 H new ATOM 810 N MET A 51 -3.272 -5.363 7.098 1.00 0.50 N ATOM 811 CA MET A 51 -2.446 -5.901 6.033 1.00 0.48 C ATOM 812 C MET A 51 -1.584 -7.041 6.545 1.00 0.43 C ATOM 813 O MET A 51 -1.462 -8.065 5.881 1.00 0.43 O ATOM 814 CB MET A 51 -1.548 -4.814 5.450 1.00 0.55 C ATOM 815 CG MET A 51 -1.234 -5.115 3.990 1.00 1.17 C ATOM 816 SD MET A 51 -2.320 -4.239 2.833 1.00 1.44 S ATOM 817 CE MET A 51 -3.951 -4.621 3.526 1.00 1.65 C ATOM 0 H MET A 51 -3.062 -4.396 7.347 1.00 0.50 H new ATOM 0 HA MET A 51 -3.110 -6.277 5.254 1.00 0.48 H new ATOM 0 HB2 MET A 51 -2.039 -3.844 5.531 1.00 0.55 H new ATOM 0 HB3 MET A 51 -0.623 -4.751 6.023 1.00 0.55 H new ATOM 0 HG2 MET A 51 -0.199 -4.843 3.784 1.00 1.17 H new ATOM 0 HG3 MET A 51 -1.322 -6.188 3.820 1.00 1.17 H new ATOM 0 HE1 MET A 51 -4.706 -3.998 3.045 1.00 1.65 H new ATOM 0 HE2 MET A 51 -4.183 -5.672 3.352 1.00 1.65 H new ATOM 0 HE3 MET A 51 -3.946 -4.423 4.598 1.00 1.65 H new ATOM 827 N LYS A 52 -0.957 -6.875 7.709 1.00 0.43 N ATOM 828 CA LYS A 52 -0.076 -7.897 8.242 1.00 0.41 C ATOM 829 C LYS A 52 -0.850 -9.183 8.498 1.00 0.43 C ATOM 830 O LYS A 52 -0.349 -10.268 8.237 1.00 0.45 O ATOM 831 CB LYS A 52 0.647 -7.383 9.496 1.00 0.45 C ATOM 832 CG LYS A 52 2.007 -8.095 9.539 1.00 0.64 C ATOM 833 CD LYS A 52 2.984 -7.513 10.558 1.00 1.85 C ATOM 834 CE LYS A 52 4.389 -7.950 10.121 1.00 2.27 C ATOM 835 NZ LYS A 52 5.317 -8.141 11.256 1.00 3.17 N ATOM 0 H LYS A 52 -1.046 -6.044 8.294 1.00 0.43 H new ATOM 0 HA LYS A 52 0.693 -8.129 7.506 1.00 0.41 H new ATOM 0 HB2 LYS A 52 0.777 -6.302 9.453 1.00 0.45 H new ATOM 0 HB3 LYS A 52 0.068 -7.599 10.394 1.00 0.45 H new ATOM 0 HG2 LYS A 52 1.846 -9.149 9.767 1.00 0.64 H new ATOM 0 HG3 LYS A 52 2.461 -8.048 8.549 1.00 0.64 H new ATOM 0 HD2 LYS A 52 2.909 -6.426 10.589 1.00 1.85 H new ATOM 0 HD3 LYS A 52 2.760 -7.877 11.561 1.00 1.85 H new ATOM 0 HE2 LYS A 52 4.315 -8.881 9.559 1.00 2.27 H new ATOM 0 HE3 LYS A 52 4.802 -7.202 9.444 1.00 2.27 H new ATOM 0 HZ1 LYS A 52 6.248 -8.435 10.898 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 5.414 -7.247 11.779 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 4.943 -8.875 11.891 1.00 3.17 H new ATOM 849 N THR A 53 -2.081 -9.059 8.982 1.00 0.46 N ATOM 850 CA THR A 53 -2.936 -10.201 9.267 1.00 0.47 C ATOM 851 C THR A 53 -3.406 -10.855 7.967 1.00 0.48 C ATOM 852 O THR A 53 -3.294 -12.066 7.805 1.00 0.52 O ATOM 853 CB THR A 53 -4.096 -9.764 10.174 1.00 0.51 C ATOM 854 OG1 THR A 53 -4.889 -8.752 9.600 1.00 0.52 O ATOM 855 CG2 THR A 53 -3.544 -9.243 11.500 1.00 0.55 C ATOM 0 H THR A 53 -2.514 -8.159 9.188 1.00 0.46 H new ATOM 0 HA THR A 53 -2.373 -10.962 9.807 1.00 0.47 H new ATOM 0 HB THR A 53 -4.723 -10.643 10.322 1.00 0.51 H new ATOM 0 HG1 THR A 53 -4.418 -8.362 8.834 1.00 0.52 H new ATOM 0 HG21 THR A 53 -4.369 -8.934 12.141 1.00 0.55 H new ATOM 0 HG22 THR A 53 -2.977 -10.032 11.993 1.00 0.55 H new ATOM 0 HG23 THR A 53 -2.891 -8.391 11.313 1.00 0.55 H new ATOM 863 N ILE A 54 -3.909 -10.064 7.019 1.00 0.47 N ATOM 864 CA ILE A 54 -4.493 -10.572 5.783 1.00 0.50 C ATOM 865 C ILE A 54 -3.414 -11.208 4.909 1.00 0.49 C ATOM 866 O ILE A 54 -3.686 -12.160 4.183 1.00 0.53 O ATOM 867 CB ILE A 54 -5.251 -9.430 5.067 1.00 0.58 C ATOM 868 CG1 ILE A 54 -6.501 -8.999 5.849 1.00 0.58 C ATOM 869 CG2 ILE A 54 -5.605 -9.748 3.610 1.00 0.68 C ATOM 870 CD1 ILE A 54 -7.669 -9.953 5.639 1.00 1.36 C ATOM 0 H ILE A 54 -3.922 -9.047 7.090 1.00 0.47 H new ATOM 0 HA ILE A 54 -5.216 -11.358 6.003 1.00 0.50 H new ATOM 0 HB ILE A 54 -4.553 -8.593 5.040 1.00 0.58 H new ATOM 0 HG12 ILE A 54 -6.263 -8.948 6.911 1.00 0.58 H new ATOM 0 HG13 ILE A 54 -6.793 -7.996 5.539 1.00 0.58 H new ATOM 0 HG21 ILE A 54 -6.135 -8.902 3.171 1.00 0.68 H new ATOM 0 HG22 ILE A 54 -4.691 -9.935 3.046 1.00 0.68 H new ATOM 0 HG23 ILE A 54 -6.241 -10.633 3.575 1.00 0.68 H new ATOM 0 HD11 ILE A 54 -8.529 -9.607 6.212 1.00 1.36 H new ATOM 0 HD12 ILE A 54 -7.927 -9.985 4.580 1.00 1.36 H new ATOM 0 HD13 ILE A 54 -7.388 -10.951 5.974 1.00 1.36 H new ATOM 882 N SER A 55 -2.187 -10.691 4.967 1.00 0.46 N ATOM 883 CA SER A 55 -1.087 -11.268 4.210 1.00 0.46 C ATOM 884 C SER A 55 -0.528 -12.472 4.929 1.00 0.45 C ATOM 885 O SER A 55 -0.176 -13.466 4.301 1.00 0.48 O ATOM 886 CB SER A 55 0.018 -10.230 3.979 1.00 0.47 C ATOM 887 OG SER A 55 0.646 -9.856 5.187 1.00 2.35 O ATOM 0 H SER A 55 -1.935 -9.878 5.529 1.00 0.46 H new ATOM 0 HA SER A 55 -1.471 -11.584 3.240 1.00 0.46 H new ATOM 0 HB2 SER A 55 0.761 -10.637 3.293 1.00 0.47 H new ATOM 0 HB3 SER A 55 -0.407 -9.347 3.501 1.00 0.47 H new ATOM 0 HG SER A 55 0.082 -9.211 5.663 1.00 2.35 H new ATOM 893 N THR A 56 -0.375 -12.332 6.244 1.00 0.44 N ATOM 894 CA THR A 56 0.401 -13.223 7.078 1.00 0.47 C ATOM 895 C THR A 56 1.875 -13.330 6.631 1.00 0.45 C ATOM 896 O THR A 56 2.646 -14.047 7.264 1.00 0.68 O ATOM 897 CB THR A 56 -0.380 -14.545 7.164 1.00 0.56 C ATOM 898 OG1 THR A 56 -1.556 -14.314 7.912 1.00 0.69 O ATOM 899 CG2 THR A 56 0.344 -15.698 7.861 1.00 0.71 C ATOM 0 H THR A 56 -0.804 -11.569 6.767 1.00 0.44 H new ATOM 0 HA THR A 56 0.513 -12.832 8.089 1.00 0.47 H new ATOM 0 HB THR A 56 -0.546 -14.845 6.129 1.00 0.56 H new ATOM 0 HG1 THR A 56 -1.984 -13.489 7.602 1.00 0.69 H new ATOM 0 HG21 THR A 56 -0.296 -16.580 7.866 1.00 0.71 H new ATOM 0 HG22 THR A 56 1.268 -15.923 7.328 1.00 0.71 H new ATOM 0 HG23 THR A 56 0.577 -15.414 8.887 1.00 0.71 H new ATOM 907 N ASP A 57 2.325 -12.601 5.601 1.00 0.46 N ATOM 908 CA ASP A 57 3.662 -12.763 5.061 1.00 0.45 C ATOM 909 C ASP A 57 4.020 -11.527 4.236 1.00 0.41 C ATOM 910 O ASP A 57 3.238 -11.071 3.398 1.00 0.41 O ATOM 911 CB ASP A 57 3.711 -14.026 4.192 1.00 0.55 C ATOM 912 CG ASP A 57 5.136 -14.363 3.768 1.00 0.63 C ATOM 913 OD1 ASP A 57 6.038 -13.551 4.076 1.00 1.86 O ATOM 914 OD2 ASP A 57 5.300 -15.402 3.095 1.00 1.81 O ATOM 0 H ASP A 57 1.769 -11.889 5.128 1.00 0.46 H new ATOM 0 HA ASP A 57 4.384 -12.870 5.870 1.00 0.45 H new ATOM 0 HB2 ASP A 57 3.288 -14.865 4.745 1.00 0.55 H new ATOM 0 HB3 ASP A 57 3.092 -13.883 3.306 1.00 0.55 H new ATOM 919 N LEU A 58 5.223 -10.990 4.446 1.00 0.43 N ATOM 920 CA LEU A 58 5.732 -9.862 3.677 1.00 0.43 C ATOM 921 C LEU A 58 5.926 -10.234 2.211 1.00 0.41 C ATOM 922 O LEU A 58 5.959 -9.361 1.353 1.00 0.41 O ATOM 923 CB LEU A 58 7.050 -9.332 4.260 1.00 0.53 C ATOM 924 CG LEU A 58 6.891 -8.769 5.682 1.00 0.57 C ATOM 925 CD1 LEU A 58 7.431 -9.753 6.726 1.00 0.96 C ATOM 926 CD2 LEU A 58 7.648 -7.446 5.817 1.00 1.01 C ATOM 0 H LEU A 58 5.871 -11.329 5.157 1.00 0.43 H new ATOM 0 HA LEU A 58 4.984 -9.071 3.740 1.00 0.43 H new ATOM 0 HB2 LEU A 58 7.785 -10.137 4.273 1.00 0.53 H new ATOM 0 HB3 LEU A 58 7.443 -8.552 3.608 1.00 0.53 H new ATOM 0 HG LEU A 58 5.827 -8.608 5.856 1.00 0.57 H new ATOM 0 HD11 LEU A 58 7.306 -9.330 7.723 1.00 0.96 H new ATOM 0 HD12 LEU A 58 6.882 -10.692 6.659 1.00 0.96 H new ATOM 0 HD13 LEU A 58 8.489 -9.937 6.540 1.00 0.96 H new ATOM 0 HD21 LEU A 58 7.527 -7.059 6.829 1.00 1.01 H new ATOM 0 HD22 LEU A 58 8.707 -7.610 5.616 1.00 1.01 H new ATOM 0 HD23 LEU A 58 7.251 -6.725 5.103 1.00 1.01 H new ATOM 938 N GLN A 59 6.034 -11.519 1.904 1.00 0.42 N ATOM 939 CA GLN A 59 6.145 -12.028 0.552 1.00 0.42 C ATOM 940 C GLN A 59 4.865 -11.676 -0.191 1.00 0.38 C ATOM 941 O GLN A 59 4.905 -11.075 -1.260 1.00 0.40 O ATOM 942 CB GLN A 59 6.343 -13.545 0.621 1.00 0.47 C ATOM 943 CG GLN A 59 6.642 -14.178 -0.742 1.00 0.53 C ATOM 944 CD GLN A 59 7.967 -13.691 -1.322 1.00 1.77 C ATOM 945 OE1 GLN A 59 8.994 -13.702 -0.659 1.00 2.83 O ATOM 946 NE2 GLN A 59 7.975 -13.246 -2.572 1.00 2.65 N ATOM 0 H GLN A 59 6.047 -12.254 2.611 1.00 0.42 H new ATOM 0 HA GLN A 59 6.993 -11.590 0.026 1.00 0.42 H new ATOM 0 HB2 GLN A 59 7.162 -13.767 1.305 1.00 0.47 H new ATOM 0 HB3 GLN A 59 5.446 -14.003 1.038 1.00 0.47 H new ATOM 0 HG2 GLN A 59 6.668 -15.263 -0.640 1.00 0.53 H new ATOM 0 HG3 GLN A 59 5.835 -13.943 -1.436 1.00 0.53 H new ATOM 0 HE21 GLN A 59 7.113 -13.241 -3.117 1.00 2.65 H new ATOM 0 HE22 GLN A 59 8.843 -12.909 -2.988 1.00 2.65 H new ATOM 955 N LEU A 60 3.722 -12.033 0.396 1.00 0.35 N ATOM 956 CA LEU A 60 2.413 -11.767 -0.176 1.00 0.33 C ATOM 957 C LEU A 60 2.148 -10.272 -0.233 1.00 0.28 C ATOM 958 O LEU A 60 1.494 -9.817 -1.162 1.00 0.26 O ATOM 959 CB LEU A 60 1.326 -12.488 0.642 1.00 0.41 C ATOM 960 CG LEU A 60 0.614 -13.565 -0.183 1.00 0.55 C ATOM 961 CD1 LEU A 60 -0.245 -14.421 0.751 1.00 2.38 C ATOM 962 CD2 LEU A 60 -0.266 -12.955 -1.282 1.00 2.34 C ATOM 0 H LEU A 60 3.685 -12.520 1.291 1.00 0.35 H new ATOM 0 HA LEU A 60 2.390 -12.149 -1.196 1.00 0.33 H new ATOM 0 HB2 LEU A 60 1.777 -12.944 1.523 1.00 0.41 H new ATOM 0 HB3 LEU A 60 0.596 -11.761 0.998 1.00 0.41 H new ATOM 0 HG LEU A 60 1.372 -14.177 -0.672 1.00 0.55 H new ATOM 0 HD11 LEU A 60 -0.756 -15.191 0.172 1.00 2.38 H new ATOM 0 HD12 LEU A 60 0.391 -14.893 1.500 1.00 2.38 H new ATOM 0 HD13 LEU A 60 -0.983 -13.790 1.247 1.00 2.38 H new ATOM 0 HD21 LEU A 60 -0.753 -13.753 -1.843 1.00 2.34 H new ATOM 0 HD22 LEU A 60 -1.024 -12.316 -0.829 1.00 2.34 H new ATOM 0 HD23 LEU A 60 0.352 -12.362 -1.956 1.00 2.34 H new ATOM 974 N ILE A 61 2.646 -9.496 0.729 1.00 0.30 N ATOM 975 CA ILE A 61 2.475 -8.047 0.670 1.00 0.31 C ATOM 976 C ILE A 61 3.295 -7.489 -0.495 1.00 0.29 C ATOM 977 O ILE A 61 2.856 -6.595 -1.218 1.00 0.30 O ATOM 978 CB ILE A 61 2.785 -7.403 2.043 1.00 0.40 C ATOM 979 CG1 ILE A 61 1.605 -6.512 2.468 1.00 0.53 C ATOM 980 CG2 ILE A 61 4.093 -6.602 2.138 1.00 0.50 C ATOM 981 CD1 ILE A 61 1.469 -5.248 1.612 1.00 0.87 C ATOM 0 H ILE A 61 3.160 -9.837 1.541 1.00 0.30 H new ATOM 0 HA ILE A 61 1.435 -7.789 0.468 1.00 0.31 H new ATOM 0 HB ILE A 61 2.928 -8.246 2.719 1.00 0.40 H new ATOM 0 HG12 ILE A 61 0.681 -7.088 2.405 1.00 0.53 H new ATOM 0 HG13 ILE A 61 1.731 -6.225 3.512 1.00 0.53 H new ATOM 0 HG21 ILE A 61 4.201 -6.200 3.145 1.00 0.50 H new ATOM 0 HG22 ILE A 61 4.937 -7.255 1.916 1.00 0.50 H new ATOM 0 HG23 ILE A 61 4.070 -5.782 1.420 1.00 0.50 H new ATOM 0 HD11 ILE A 61 0.619 -4.662 1.961 1.00 0.87 H new ATOM 0 HD12 ILE A 61 2.379 -4.653 1.694 1.00 0.87 H new ATOM 0 HD13 ILE A 61 1.312 -5.529 0.571 1.00 0.87 H new ATOM 993 N THR A 62 4.489 -8.036 -0.706 1.00 0.29 N ATOM 994 CA THR A 62 5.356 -7.558 -1.772 1.00 0.33 C ATOM 995 C THR A 62 4.736 -7.908 -3.122 1.00 0.31 C ATOM 996 O THR A 62 4.727 -7.074 -4.025 1.00 0.33 O ATOM 997 CB THR A 62 6.779 -8.102 -1.599 1.00 0.42 C ATOM 998 OG1 THR A 62 7.321 -7.581 -0.407 1.00 1.09 O ATOM 999 CG2 THR A 62 7.708 -7.664 -2.733 1.00 1.05 C ATOM 0 H THR A 62 4.874 -8.804 -0.156 1.00 0.29 H new ATOM 0 HA THR A 62 5.444 -6.473 -1.726 1.00 0.33 H new ATOM 0 HB THR A 62 6.710 -9.190 -1.590 1.00 0.42 H new ATOM 0 HG1 THR A 62 6.963 -8.076 0.359 1.00 1.09 H new ATOM 0 HG21 THR A 62 8.704 -8.074 -2.566 1.00 1.05 H new ATOM 0 HG22 THR A 62 7.320 -8.030 -3.683 1.00 1.05 H new ATOM 0 HG23 THR A 62 7.763 -6.576 -2.758 1.00 1.05 H new ATOM 1007 N GLU A 63 4.180 -9.113 -3.278 1.00 0.32 N ATOM 1008 CA GLU A 63 3.524 -9.456 -4.534 1.00 0.37 C ATOM 1009 C GLU A 63 2.296 -8.577 -4.715 1.00 0.34 C ATOM 1010 O GLU A 63 2.041 -8.102 -5.820 1.00 0.40 O ATOM 1011 CB GLU A 63 3.142 -10.944 -4.625 1.00 0.50 C ATOM 1012 CG GLU A 63 2.628 -11.234 -6.053 1.00 0.61 C ATOM 1013 CD GLU A 63 1.988 -12.611 -6.236 1.00 1.03 C ATOM 1014 OE1 GLU A 63 2.505 -13.578 -5.643 1.00 1.57 O ATOM 1015 OE2 GLU A 63 0.980 -12.677 -6.991 1.00 2.35 O ATOM 0 H GLU A 63 4.172 -9.847 -2.569 1.00 0.32 H new ATOM 0 HA GLU A 63 4.237 -9.275 -5.338 1.00 0.37 H new ATOM 0 HB2 GLU A 63 4.005 -11.571 -4.399 1.00 0.50 H new ATOM 0 HB3 GLU A 63 2.373 -11.183 -3.890 1.00 0.50 H new ATOM 0 HG2 GLU A 63 1.898 -10.471 -6.324 1.00 0.61 H new ATOM 0 HG3 GLU A 63 3.461 -11.140 -6.750 1.00 0.61 H new ATOM 1022 N ALA A 64 1.547 -8.340 -3.639 1.00 0.30 N ATOM 1023 CA ALA A 64 0.321 -7.560 -3.729 1.00 0.34 C ATOM 1024 C ALA A 64 0.616 -6.196 -4.346 1.00 0.35 C ATOM 1025 O ALA A 64 -0.103 -5.716 -5.219 1.00 0.46 O ATOM 1026 CB ALA A 64 -0.311 -7.393 -2.349 1.00 0.35 C ATOM 0 H ALA A 64 1.769 -8.676 -2.702 1.00 0.30 H new ATOM 0 HA ALA A 64 -0.385 -8.091 -4.367 1.00 0.34 H new ATOM 0 HB1 ALA A 64 -1.226 -6.807 -2.436 1.00 0.35 H new ATOM 0 HB2 ALA A 64 -0.546 -8.374 -1.935 1.00 0.35 H new ATOM 0 HB3 ALA A 64 0.387 -6.878 -1.689 1.00 0.35 H new ATOM 1032 N LEU A 65 1.699 -5.566 -3.895 1.00 0.27 N ATOM 1033 CA LEU A 65 2.134 -4.305 -4.459 1.00 0.28 C ATOM 1034 C LEU A 65 2.653 -4.488 -5.878 1.00 0.29 C ATOM 1035 O LEU A 65 2.417 -3.631 -6.721 1.00 0.32 O ATOM 1036 CB LEU A 65 3.210 -3.692 -3.564 1.00 0.30 C ATOM 1037 CG LEU A 65 2.580 -3.008 -2.348 1.00 0.39 C ATOM 1038 CD1 LEU A 65 3.675 -2.716 -1.329 1.00 0.48 C ATOM 1039 CD2 LEU A 65 1.931 -1.677 -2.745 1.00 0.44 C ATOM 0 H LEU A 65 2.288 -5.915 -3.139 1.00 0.27 H new ATOM 0 HA LEU A 65 1.280 -3.629 -4.508 1.00 0.28 H new ATOM 0 HB2 LEU A 65 3.900 -4.468 -3.233 1.00 0.30 H new ATOM 0 HB3 LEU A 65 3.793 -2.968 -4.133 1.00 0.30 H new ATOM 0 HG LEU A 65 1.818 -3.669 -1.933 1.00 0.39 H new ATOM 0 HD11 LEU A 65 3.240 -2.228 -0.457 1.00 0.48 H new ATOM 0 HD12 LEU A 65 4.147 -3.650 -1.024 1.00 0.48 H new ATOM 0 HD13 LEU A 65 4.422 -2.061 -1.776 1.00 0.48 H new ATOM 0 HD21 LEU A 65 1.490 -1.210 -1.864 1.00 0.44 H new ATOM 0 HD22 LEU A 65 2.687 -1.015 -3.167 1.00 0.44 H new ATOM 0 HD23 LEU A 65 1.153 -1.858 -3.487 1.00 0.44 H new ATOM 1051 N LYS A 66 3.361 -5.581 -6.168 1.00 0.32 N ATOM 1052 CA LYS A 66 3.880 -5.823 -7.512 1.00 0.39 C ATOM 1053 C LYS A 66 2.749 -5.817 -8.537 1.00 0.50 C ATOM 1054 O LYS A 66 2.901 -5.281 -9.630 1.00 0.70 O ATOM 1055 CB LYS A 66 4.696 -7.121 -7.561 1.00 0.52 C ATOM 1056 CG LYS A 66 5.477 -7.172 -8.881 1.00 0.94 C ATOM 1057 CD LYS A 66 6.095 -8.543 -9.155 1.00 1.41 C ATOM 1058 CE LYS A 66 6.347 -8.619 -10.664 1.00 2.14 C ATOM 1059 NZ LYS A 66 6.961 -9.900 -11.071 1.00 3.01 N ATOM 0 H LYS A 66 3.587 -6.310 -5.491 1.00 0.32 H new ATOM 0 HA LYS A 66 4.558 -5.010 -7.772 1.00 0.39 H new ATOM 0 HB2 LYS A 66 5.383 -7.166 -6.716 1.00 0.52 H new ATOM 0 HB3 LYS A 66 4.035 -7.984 -7.481 1.00 0.52 H new ATOM 0 HG2 LYS A 66 4.810 -6.909 -9.702 1.00 0.94 H new ATOM 0 HG3 LYS A 66 6.267 -6.421 -8.859 1.00 0.94 H new ATOM 0 HD2 LYS A 66 7.025 -8.666 -8.601 1.00 1.41 H new ATOM 0 HD3 LYS A 66 5.425 -9.341 -8.834 1.00 1.41 H new ATOM 0 HE2 LYS A 66 5.404 -8.487 -11.194 1.00 2.14 H new ATOM 0 HE3 LYS A 66 6.998 -7.797 -10.962 1.00 2.14 H new ATOM 0 HZ1 LYS A 66 7.111 -9.902 -12.100 1.00 3.01 H new ATOM 0 HZ2 LYS A 66 7.875 -10.016 -10.588 1.00 3.01 H new ATOM 0 HZ3 LYS A 66 6.330 -10.685 -10.812 1.00 3.01 H new ATOM 1073 N LYS A 67 1.614 -6.420 -8.195 1.00 0.44 N ATOM 1074 CA LYS A 67 0.449 -6.485 -9.067 1.00 0.56 C ATOM 1075 C LYS A 67 -0.519 -5.338 -8.757 1.00 0.57 C ATOM 1076 O LYS A 67 -1.716 -5.499 -8.972 1.00 0.77 O ATOM 1077 CB LYS A 67 -0.212 -7.866 -8.883 1.00 0.70 C ATOM 1078 CG LYS A 67 0.504 -8.951 -9.693 1.00 0.78 C ATOM 1079 CD LYS A 67 -0.045 -10.329 -9.312 1.00 0.87 C ATOM 1080 CE LYS A 67 0.475 -11.408 -10.265 1.00 1.50 C ATOM 1081 NZ LYS A 67 0.131 -12.758 -9.775 1.00 1.65 N ATOM 0 H LYS A 67 1.478 -6.881 -7.296 1.00 0.44 H new ATOM 0 HA LYS A 67 0.744 -6.369 -10.110 1.00 0.56 H new ATOM 0 HB2 LYS A 67 -0.203 -8.135 -7.827 1.00 0.70 H new ATOM 0 HB3 LYS A 67 -1.257 -7.813 -9.190 1.00 0.70 H new ATOM 0 HG2 LYS A 67 0.362 -8.775 -10.759 1.00 0.78 H new ATOM 0 HG3 LYS A 67 1.577 -8.911 -9.503 1.00 0.78 H new ATOM 0 HD2 LYS A 67 0.246 -10.571 -8.290 1.00 0.87 H new ATOM 0 HD3 LYS A 67 -1.135 -10.310 -9.337 1.00 0.87 H new ATOM 0 HE2 LYS A 67 0.049 -11.258 -11.257 1.00 1.50 H new ATOM 0 HE3 LYS A 67 1.557 -11.319 -10.366 1.00 1.50 H new ATOM 0 HZ1 LYS A 67 0.634 -13.471 -10.340 1.00 1.65 H new ATOM 0 HZ2 LYS A 67 0.410 -12.847 -8.777 1.00 1.65 H new ATOM 0 HZ3 LYS A 67 -0.894 -12.908 -9.862 1.00 1.65 H new ATOM 1095 N SER A 68 -0.055 -4.193 -8.244 1.00 0.49 N ATOM 1096 CA SER A 68 -0.960 -3.158 -7.775 1.00 0.55 C ATOM 1097 C SER A 68 -1.906 -2.706 -8.878 1.00 0.66 C ATOM 1098 O SER A 68 -1.488 -2.493 -10.013 1.00 1.10 O ATOM 1099 CB SER A 68 -0.179 -1.949 -7.272 1.00 0.59 C ATOM 1100 OG SER A 68 0.835 -1.600 -8.192 1.00 1.81 O ATOM 0 H SER A 68 0.935 -3.968 -8.147 1.00 0.49 H new ATOM 0 HA SER A 68 -1.543 -3.587 -6.960 1.00 0.55 H new ATOM 0 HB2 SER A 68 -0.855 -1.106 -7.128 1.00 0.59 H new ATOM 0 HB3 SER A 68 0.263 -2.172 -6.301 1.00 0.59 H new ATOM 0 HG SER A 68 0.471 -0.984 -8.862 1.00 1.81 H new ATOM 1106 N THR A 69 -3.168 -2.512 -8.503 1.00 0.46 N ATOM 1107 CA THR A 69 -4.226 -2.127 -9.415 1.00 0.52 C ATOM 1108 C THR A 69 -4.353 -0.600 -9.436 1.00 0.66 C ATOM 1109 O THR A 69 -3.972 0.036 -10.414 1.00 0.95 O ATOM 1110 CB THR A 69 -5.499 -2.912 -9.052 1.00 0.48 C ATOM 1111 OG1 THR A 69 -6.576 -2.466 -9.821 1.00 0.70 O ATOM 1112 CG2 THR A 69 -5.954 -2.825 -7.583 1.00 0.52 C ATOM 0 H THR A 69 -3.483 -2.621 -7.539 1.00 0.46 H new ATOM 0 HA THR A 69 -4.008 -2.395 -10.449 1.00 0.52 H new ATOM 0 HB THR A 69 -5.219 -3.947 -9.247 1.00 0.48 H new ATOM 0 HG1 THR A 69 -6.405 -2.660 -10.766 1.00 0.70 H new ATOM 0 HG21 THR A 69 -6.859 -3.417 -7.447 1.00 0.52 H new ATOM 0 HG22 THR A 69 -5.167 -3.211 -6.935 1.00 0.52 H new ATOM 0 HG23 THR A 69 -6.158 -1.785 -7.326 1.00 0.52 H new ATOM 1120 N ARG A 70 -4.809 0.031 -8.348 1.00 0.65 N ATOM 1121 CA ARG A 70 -4.939 1.485 -8.335 1.00 0.81 C ATOM 1122 C ARG A 70 -3.636 2.173 -7.953 1.00 0.72 C ATOM 1123 O ARG A 70 -3.599 3.400 -7.952 1.00 0.80 O ATOM 1124 CB ARG A 70 -6.045 1.946 -7.378 1.00 0.99 C ATOM 1125 CG ARG A 70 -7.404 1.352 -7.745 1.00 1.60 C ATOM 1126 CD ARG A 70 -8.519 2.098 -7.002 1.00 2.89 C ATOM 1127 NE ARG A 70 -9.715 1.262 -6.888 1.00 4.14 N ATOM 1128 CZ ARG A 70 -10.887 1.596 -6.351 1.00 5.63 C ATOM 1129 NH1 ARG A 70 -11.157 2.873 -6.110 1.00 6.16 N ATOM 1130 NH2 ARG A 70 -11.770 0.649 -6.052 1.00 7.02 N ATOM 0 H ARG A 70 -5.088 -0.434 -7.484 1.00 0.65 H new ATOM 0 HA ARG A 70 -5.202 1.771 -9.353 1.00 0.81 H new ATOM 0 HB2 ARG A 70 -5.786 1.657 -6.359 1.00 0.99 H new ATOM 0 HB3 ARG A 70 -6.109 3.034 -7.395 1.00 0.99 H new ATOM 0 HG2 ARG A 70 -7.562 1.422 -8.821 1.00 1.60 H new ATOM 0 HG3 ARG A 70 -7.429 0.293 -7.488 1.00 1.60 H new ATOM 0 HD2 ARG A 70 -8.173 2.383 -6.009 1.00 2.89 H new ATOM 0 HD3 ARG A 70 -8.762 3.019 -7.532 1.00 2.89 H new ATOM 0 HE ARG A 70 -9.643 0.316 -7.262 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -10.469 3.591 -6.336 1.00 6.16 H new ATOM 0 HH12 ARG A 70 -12.053 3.136 -5.699 1.00 6.16 H new ATOM 0 HH21 ARG A 70 -11.549 -0.330 -6.234 1.00 7.02 H new ATOM 0 HH22 ARG A 70 -12.669 0.901 -5.641 1.00 7.02 H new ATOM 1144 N LEU A 71 -2.584 1.441 -7.570 1.00 0.65 N ATOM 1145 CA LEU A 71 -1.312 2.048 -7.254 1.00 0.55 C ATOM 1146 C LEU A 71 -0.283 1.434 -8.206 1.00 0.48 C ATOM 1147 O LEU A 71 -0.619 0.526 -8.966 1.00 0.54 O ATOM 1148 CB LEU A 71 -0.974 1.849 -5.765 1.00 0.55 C ATOM 1149 CG LEU A 71 -2.132 1.786 -4.749 1.00 0.81 C ATOM 1150 CD1 LEU A 71 -1.525 1.633 -3.352 1.00 1.37 C ATOM 1151 CD2 LEU A 71 -3.004 3.044 -4.729 1.00 1.31 C ATOM 0 H LEU A 71 -2.601 0.426 -7.475 1.00 0.65 H new ATOM 0 HA LEU A 71 -1.325 3.128 -7.397 1.00 0.55 H new ATOM 0 HB2 LEU A 71 -0.404 0.924 -5.675 1.00 0.55 H new ATOM 0 HB3 LEU A 71 -0.313 2.662 -5.464 1.00 0.55 H new ATOM 0 HG LEU A 71 -2.766 0.949 -5.042 1.00 0.81 H new ATOM 0 HD11 LEU A 71 -2.323 1.586 -2.612 1.00 1.37 H new ATOM 0 HD12 LEU A 71 -0.936 0.717 -3.310 1.00 1.37 H new ATOM 0 HD13 LEU A 71 -0.883 2.487 -3.139 1.00 1.37 H new ATOM 0 HD21 LEU A 71 -3.797 2.925 -3.990 1.00 1.31 H new ATOM 0 HD22 LEU A 71 -2.391 3.907 -4.469 1.00 1.31 H new ATOM 0 HD23 LEU A 71 -3.446 3.196 -5.714 1.00 1.31 H new ATOM 1163 N GLN A 72 0.963 1.901 -8.182 1.00 0.41 N ATOM 1164 CA GLN A 72 2.033 1.359 -9.007 1.00 0.38 C ATOM 1165 C GLN A 72 3.307 1.314 -8.181 1.00 0.27 C ATOM 1166 O GLN A 72 3.853 2.366 -7.840 1.00 0.36 O ATOM 1167 CB GLN A 72 2.260 2.235 -10.243 1.00 0.47 C ATOM 1168 CG GLN A 72 1.094 2.166 -11.234 1.00 1.59 C ATOM 1169 CD GLN A 72 1.427 2.910 -12.525 1.00 2.33 C ATOM 1170 OE1 GLN A 72 2.353 3.712 -12.578 1.00 3.09 O ATOM 1171 NE2 GLN A 72 0.690 2.649 -13.595 1.00 3.07 N ATOM 0 H GLN A 72 1.258 2.673 -7.584 1.00 0.41 H new ATOM 0 HA GLN A 72 1.757 0.358 -9.339 1.00 0.38 H new ATOM 0 HB2 GLN A 72 2.405 3.269 -9.930 1.00 0.47 H new ATOM 0 HB3 GLN A 72 3.176 1.922 -10.743 1.00 0.47 H new ATOM 0 HG2 GLN A 72 0.865 1.124 -11.459 1.00 1.59 H new ATOM 0 HG3 GLN A 72 0.201 2.598 -10.781 1.00 1.59 H new ATOM 0 HE21 GLN A 72 -0.077 1.979 -13.535 1.00 3.07 H new ATOM 0 HE22 GLN A 72 0.890 3.118 -14.479 1.00 3.07 H new ATOM 1180 N VAL A 73 3.824 0.124 -7.889 1.00 0.32 N ATOM 1181 CA VAL A 73 5.028 0.002 -7.087 1.00 0.27 C ATOM 1182 C VAL A 73 6.232 0.118 -8.017 1.00 0.30 C ATOM 1183 O VAL A 73 6.152 -0.138 -9.219 1.00 0.44 O ATOM 1184 CB VAL A 73 4.997 -1.316 -6.288 1.00 0.36 C ATOM 1185 CG1 VAL A 73 5.269 -2.548 -7.151 1.00 0.68 C ATOM 1186 CG2 VAL A 73 5.994 -1.328 -5.123 1.00 0.85 C ATOM 0 H VAL A 73 3.427 -0.764 -8.196 1.00 0.32 H new ATOM 0 HA VAL A 73 5.097 0.800 -6.348 1.00 0.27 H new ATOM 0 HB VAL A 73 3.979 -1.365 -5.900 1.00 0.36 H new ATOM 0 HG11 VAL A 73 5.233 -3.443 -6.529 1.00 0.68 H new ATOM 0 HG12 VAL A 73 4.513 -2.619 -7.933 1.00 0.68 H new ATOM 0 HG13 VAL A 73 6.255 -2.462 -7.607 1.00 0.68 H new ATOM 0 HG21 VAL A 73 5.927 -2.280 -4.597 1.00 0.85 H new ATOM 0 HG22 VAL A 73 7.005 -1.196 -5.508 1.00 0.85 H new ATOM 0 HG23 VAL A 73 5.759 -0.516 -4.435 1.00 0.85 H new ATOM 1196 N SER A 74 7.341 0.582 -7.458 1.00 0.35 N ATOM 1197 CA SER A 74 8.639 0.538 -8.097 1.00 0.50 C ATOM 1198 C SER A 74 9.160 -0.893 -8.109 1.00 0.88 C ATOM 1199 O SER A 74 8.730 -1.731 -7.320 1.00 1.06 O ATOM 1200 CB SER A 74 9.601 1.487 -7.380 1.00 0.92 C ATOM 1201 OG SER A 74 10.831 1.525 -8.072 1.00 1.48 O ATOM 0 H SER A 74 7.359 1.006 -6.531 1.00 0.35 H new ATOM 0 HA SER A 74 8.554 0.869 -9.132 1.00 0.50 H new ATOM 0 HB2 SER A 74 9.170 2.487 -7.328 1.00 0.92 H new ATOM 0 HB3 SER A 74 9.759 1.154 -6.354 1.00 0.92 H new ATOM 0 HG SER A 74 11.446 2.134 -7.613 1.00 1.48 H new ATOM 1207 N GLU A 75 10.134 -1.148 -8.977 1.00 1.18 N ATOM 1208 CA GLU A 75 10.812 -2.429 -9.098 1.00 1.76 C ATOM 1209 C GLU A 75 11.527 -2.816 -7.802 1.00 1.51 C ATOM 1210 O GLU A 75 11.795 -3.991 -7.576 1.00 1.82 O ATOM 1211 CB GLU A 75 11.773 -2.373 -10.293 1.00 2.35 C ATOM 1212 CG GLU A 75 12.922 -1.375 -10.087 1.00 3.09 C ATOM 1213 CD GLU A 75 13.519 -0.956 -11.429 1.00 3.20 C ATOM 1214 OE1 GLU A 75 14.452 -1.649 -11.891 1.00 3.84 O ATOM 1215 OE2 GLU A 75 13.014 0.049 -11.979 1.00 3.20 O ATOM 0 H GLU A 75 10.481 -0.448 -9.633 1.00 1.18 H new ATOM 0 HA GLU A 75 10.074 -3.211 -9.276 1.00 1.76 H new ATOM 0 HB2 GLU A 75 12.187 -3.366 -10.467 1.00 2.35 H new ATOM 0 HB3 GLU A 75 11.216 -2.099 -11.189 1.00 2.35 H new ATOM 0 HG2 GLU A 75 12.556 -0.496 -9.556 1.00 3.09 H new ATOM 0 HG3 GLU A 75 13.695 -1.826 -9.464 1.00 3.09 H new ATOM 1222 N ASP A 76 11.820 -1.843 -6.933 1.00 1.08 N ATOM 1223 CA ASP A 76 12.467 -2.115 -5.657 1.00 0.96 C ATOM 1224 C ASP A 76 11.469 -2.760 -4.691 1.00 0.83 C ATOM 1225 O ASP A 76 11.826 -3.520 -3.789 1.00 0.98 O ATOM 1226 CB ASP A 76 12.994 -0.788 -5.102 1.00 1.02 C ATOM 1227 CG ASP A 76 13.828 -0.964 -3.835 1.00 1.66 C ATOM 1228 OD1 ASP A 76 14.302 -2.093 -3.576 1.00 3.00 O ATOM 1229 OD2 ASP A 76 13.960 0.051 -3.117 1.00 2.11 O ATOM 0 H ASP A 76 11.616 -0.857 -7.097 1.00 1.08 H new ATOM 0 HA ASP A 76 13.296 -2.811 -5.786 1.00 0.96 H new ATOM 0 HB2 ASP A 76 13.599 -0.296 -5.864 1.00 1.02 H new ATOM 0 HB3 ASP A 76 12.152 -0.129 -4.888 1.00 1.02 H new ATOM 1234 N GLY A 77 10.182 -2.428 -4.840 1.00 0.63 N ATOM 1235 CA GLY A 77 9.203 -2.856 -3.854 1.00 0.54 C ATOM 1236 C GLY A 77 9.510 -2.220 -2.499 1.00 0.58 C ATOM 1237 O GLY A 77 9.444 -2.884 -1.470 1.00 1.00 O ATOM 0 H GLY A 77 9.808 -1.879 -5.614 1.00 0.63 H new ATOM 0 HA2 GLY A 77 8.201 -2.574 -4.178 1.00 0.54 H new ATOM 0 HA3 GLY A 77 9.215 -3.942 -3.766 1.00 0.54 H new ATOM 1241 N LYS A 78 9.849 -0.927 -2.509 1.00 0.42 N ATOM 1242 CA LYS A 78 9.911 -0.072 -1.323 1.00 0.40 C ATOM 1243 C LYS A 78 9.140 1.218 -1.540 1.00 0.35 C ATOM 1244 O LYS A 78 9.007 1.963 -0.583 1.00 0.39 O ATOM 1245 CB LYS A 78 11.353 0.264 -0.890 1.00 0.47 C ATOM 1246 CG LYS A 78 12.003 -0.828 -0.031 1.00 0.81 C ATOM 1247 CD LYS A 78 12.621 -1.904 -0.913 1.00 1.72 C ATOM 1248 CE LYS A 78 12.642 -3.273 -0.245 1.00 2.43 C ATOM 1249 NZ LYS A 78 12.635 -4.315 -1.291 1.00 4.10 N ATOM 0 H LYS A 78 10.094 -0.434 -3.368 1.00 0.42 H new ATOM 0 HA LYS A 78 9.452 -0.649 -0.520 1.00 0.40 H new ATOM 0 HB2 LYS A 78 11.962 0.427 -1.779 1.00 0.47 H new ATOM 0 HB3 LYS A 78 11.348 1.200 -0.331 1.00 0.47 H new ATOM 0 HG2 LYS A 78 12.769 -0.388 0.607 1.00 0.81 H new ATOM 0 HG3 LYS A 78 11.257 -1.273 0.627 1.00 0.81 H new ATOM 0 HD2 LYS A 78 12.061 -1.968 -1.846 1.00 1.72 H new ATOM 0 HD3 LYS A 78 13.640 -1.615 -1.172 1.00 1.72 H new ATOM 0 HE2 LYS A 78 13.528 -3.373 0.381 1.00 2.43 H new ATOM 0 HE3 LYS A 78 11.776 -3.388 0.407 1.00 2.43 H new ATOM 0 HZ1 LYS A 78 12.157 -5.165 -0.931 1.00 4.10 H new ATOM 0 HZ2 LYS A 78 12.130 -3.962 -2.129 1.00 4.10 H new ATOM 0 HZ3 LYS A 78 13.614 -4.552 -1.551 1.00 4.10 H new ATOM 1263 N MET A 79 8.622 1.518 -2.732 1.00 0.30 N ATOM 1264 CA MET A 79 7.812 2.718 -2.898 1.00 0.30 C ATOM 1265 C MET A 79 6.700 2.434 -3.885 1.00 0.29 C ATOM 1266 O MET A 79 6.888 1.623 -4.787 1.00 0.31 O ATOM 1267 CB MET A 79 8.679 3.880 -3.416 1.00 0.46 C ATOM 1268 CG MET A 79 9.760 4.340 -2.431 1.00 1.45 C ATOM 1269 SD MET A 79 9.133 4.989 -0.861 1.00 3.37 S ATOM 1270 CE MET A 79 10.683 5.147 0.055 1.00 3.53 C ATOM 0 H MET A 79 8.746 0.959 -3.576 1.00 0.30 H new ATOM 0 HA MET A 79 7.388 3.000 -1.934 1.00 0.30 H new ATOM 0 HB2 MET A 79 9.157 3.576 -4.347 1.00 0.46 H new ATOM 0 HB3 MET A 79 8.032 4.726 -3.651 1.00 0.46 H new ATOM 0 HG2 MET A 79 10.422 3.500 -2.222 1.00 1.45 H new ATOM 0 HG3 MET A 79 10.364 5.110 -2.911 1.00 1.45 H new ATOM 0 HE1 MET A 79 10.478 5.537 1.052 1.00 3.53 H new ATOM 0 HE2 MET A 79 11.158 4.169 0.138 1.00 3.53 H new ATOM 0 HE3 MET A 79 11.349 5.830 -0.472 1.00 3.53 H new ATOM 1280 N VAL A 80 5.554 3.096 -3.735 1.00 0.34 N ATOM 1281 CA VAL A 80 4.400 2.899 -4.590 1.00 0.30 C ATOM 1282 C VAL A 80 3.676 4.232 -4.706 1.00 0.29 C ATOM 1283 O VAL A 80 3.555 4.950 -3.717 1.00 0.34 O ATOM 1284 CB VAL A 80 3.520 1.769 -4.017 1.00 0.37 C ATOM 1285 CG1 VAL A 80 3.277 1.892 -2.512 1.00 1.26 C ATOM 1286 CG2 VAL A 80 2.151 1.702 -4.690 1.00 1.35 C ATOM 0 H VAL A 80 5.406 3.792 -3.004 1.00 0.34 H new ATOM 0 HA VAL A 80 4.684 2.582 -5.594 1.00 0.30 H new ATOM 0 HB VAL A 80 4.091 0.863 -4.219 1.00 0.37 H new ATOM 0 HG11 VAL A 80 2.651 1.065 -2.176 1.00 1.26 H new ATOM 0 HG12 VAL A 80 4.231 1.862 -1.986 1.00 1.26 H new ATOM 0 HG13 VAL A 80 2.775 2.836 -2.300 1.00 1.26 H new ATOM 0 HG21 VAL A 80 1.569 0.891 -4.252 1.00 1.35 H new ATOM 0 HG22 VAL A 80 1.626 2.646 -4.542 1.00 1.35 H new ATOM 0 HG23 VAL A 80 2.279 1.521 -5.757 1.00 1.35 H new ATOM 1296 N ARG A 81 3.188 4.559 -5.907 1.00 0.42 N ATOM 1297 CA ARG A 81 2.464 5.806 -6.133 1.00 0.44 C ATOM 1298 C ARG A 81 0.992 5.501 -6.320 1.00 0.44 C ATOM 1299 O ARG A 81 0.662 4.443 -6.849 1.00 0.47 O ATOM 1300 CB ARG A 81 2.944 6.569 -7.382 1.00 0.45 C ATOM 1301 CG ARG A 81 4.443 6.534 -7.706 1.00 1.55 C ATOM 1302 CD ARG A 81 4.853 5.189 -8.315 1.00 1.70 C ATOM 1303 NE ARG A 81 5.876 5.340 -9.359 1.00 2.53 N ATOM 1304 CZ ARG A 81 6.268 4.349 -10.171 1.00 3.33 C ATOM 1305 NH1 ARG A 81 5.816 3.111 -9.972 1.00 4.13 N ATOM 1306 NH2 ARG A 81 7.109 4.606 -11.174 1.00 4.03 N ATOM 0 H ARG A 81 3.284 3.974 -6.737 1.00 0.42 H new ATOM 0 HA ARG A 81 2.648 6.433 -5.261 1.00 0.44 H new ATOM 0 HB2 ARG A 81 2.405 6.175 -8.244 1.00 0.45 H new ATOM 0 HB3 ARG A 81 2.649 7.612 -7.272 1.00 0.45 H new ATOM 0 HG2 ARG A 81 4.685 7.338 -8.400 1.00 1.55 H new ATOM 0 HG3 ARG A 81 5.017 6.714 -6.797 1.00 1.55 H new ATOM 0 HD2 ARG A 81 5.233 4.537 -7.528 1.00 1.70 H new ATOM 0 HD3 ARG A 81 3.975 4.701 -8.737 1.00 1.70 H new ATOM 0 HE ARG A 81 6.314 6.254 -9.472 1.00 2.53 H new ATOM 0 HH11 ARG A 81 5.173 2.920 -9.203 1.00 4.13 H new ATOM 0 HH12 ARG A 81 6.113 2.355 -10.589 1.00 4.13 H new ATOM 0 HH21 ARG A 81 7.452 5.555 -11.321 1.00 4.03 H new ATOM 0 HH22 ARG A 81 7.409 3.853 -11.794 1.00 4.03 H new ATOM 1320 N ARG A 82 0.116 6.437 -5.959 1.00 0.62 N ATOM 1321 CA ARG A 82 -1.297 6.337 -6.309 1.00 0.69 C ATOM 1322 C ARG A 82 -1.583 7.183 -7.545 1.00 0.81 C ATOM 1323 O ARG A 82 -0.682 7.815 -8.089 1.00 0.99 O ATOM 1324 CB ARG A 82 -2.167 6.666 -5.087 1.00 0.87 C ATOM 1325 CG ARG A 82 -2.024 8.072 -4.498 1.00 1.14 C ATOM 1326 CD ARG A 82 -2.878 9.137 -5.189 1.00 1.62 C ATOM 1327 NE ARG A 82 -2.963 10.338 -4.351 1.00 2.14 N ATOM 1328 CZ ARG A 82 -3.508 11.507 -4.693 1.00 3.14 C ATOM 1329 NH1 ARG A 82 -4.150 11.633 -5.851 1.00 3.95 N ATOM 1330 NH2 ARG A 82 -3.403 12.544 -3.864 1.00 4.05 N ATOM 0 H ARG A 82 0.361 7.271 -5.425 1.00 0.62 H new ATOM 0 HA ARG A 82 -1.558 5.315 -6.584 1.00 0.69 H new ATOM 0 HB2 ARG A 82 -3.211 6.518 -5.363 1.00 0.87 H new ATOM 0 HB3 ARG A 82 -1.939 5.944 -4.303 1.00 0.87 H new ATOM 0 HG2 ARG A 82 -2.291 8.039 -3.442 1.00 1.14 H new ATOM 0 HG3 ARG A 82 -0.977 8.371 -4.553 1.00 1.14 H new ATOM 0 HD2 ARG A 82 -2.445 9.390 -6.157 1.00 1.62 H new ATOM 0 HD3 ARG A 82 -3.877 8.746 -5.379 1.00 1.62 H new ATOM 0 HE ARG A 82 -2.566 10.273 -3.414 1.00 2.14 H new ATOM 0 HH11 ARG A 82 -4.227 10.834 -6.481 1.00 3.95 H new ATOM 0 HH12 ARG A 82 -4.565 12.528 -6.109 1.00 3.95 H new ATOM 0 HH21 ARG A 82 -2.910 12.440 -2.977 1.00 4.05 H new ATOM 0 HH22 ARG A 82 -3.816 13.442 -4.116 1.00 4.05 H new ATOM 1344 N LEU A 83 -2.836 7.190 -8.000 1.00 0.87 N ATOM 1345 CA LEU A 83 -3.225 7.867 -9.227 1.00 0.90 C ATOM 1346 C LEU A 83 -3.574 9.302 -8.873 1.00 1.14 C ATOM 1347 O LEU A 83 -4.143 9.536 -7.812 1.00 1.49 O ATOM 1348 CB LEU A 83 -4.476 7.194 -9.811 1.00 1.18 C ATOM 1349 CG LEU A 83 -4.225 5.746 -10.249 1.00 2.02 C ATOM 1350 CD1 LEU A 83 -5.560 5.016 -10.387 1.00 2.51 C ATOM 1351 CD2 LEU A 83 -3.470 5.682 -11.577 1.00 3.05 C ATOM 0 H LEU A 83 -3.608 6.724 -7.524 1.00 0.87 H new ATOM 0 HA LEU A 83 -2.414 7.824 -9.954 1.00 0.90 H new ATOM 0 HB2 LEU A 83 -5.272 7.210 -9.067 1.00 1.18 H new ATOM 0 HB3 LEU A 83 -4.827 7.771 -10.666 1.00 1.18 H new ATOM 0 HG LEU A 83 -3.610 5.266 -9.488 1.00 2.02 H new ATOM 0 HD11 LEU A 83 -5.381 3.987 -10.698 1.00 2.51 H new ATOM 0 HD12 LEU A 83 -6.078 5.020 -9.428 1.00 2.51 H new ATOM 0 HD13 LEU A 83 -6.175 5.519 -11.133 1.00 2.51 H new ATOM 0 HD21 LEU A 83 -3.310 4.640 -11.855 1.00 3.05 H new ATOM 0 HD22 LEU A 83 -4.054 6.179 -12.352 1.00 3.05 H new ATOM 0 HD23 LEU A 83 -2.507 6.181 -11.472 1.00 3.05 H new ATOM 1363 N ASP A 84 -3.242 10.256 -9.743 1.00 1.40 N ATOM 1364 CA ASP A 84 -3.536 11.674 -9.535 1.00 1.86 C ATOM 1365 C ASP A 84 -5.024 11.921 -9.242 1.00 2.03 C ATOM 1366 O ASP A 84 -5.344 12.493 -8.197 1.00 2.36 O ATOM 1367 CB ASP A 84 -3.048 12.515 -10.732 1.00 2.19 C ATOM 1368 CG ASP A 84 -2.007 13.560 -10.329 1.00 2.52 C ATOM 1369 OD1 ASP A 84 -2.097 14.058 -9.186 1.00 3.16 O ATOM 1370 OD2 ASP A 84 -1.136 13.843 -11.179 1.00 3.03 O ATOM 0 H ASP A 84 -2.757 10.065 -10.620 1.00 1.40 H new ATOM 0 HA ASP A 84 -2.987 11.994 -8.649 1.00 1.86 H new ATOM 0 HB2 ASP A 84 -2.621 11.854 -11.486 1.00 2.19 H new ATOM 0 HB3 ASP A 84 -3.900 13.015 -11.192 1.00 2.19 H new ATOM 1375 N PRO A 85 -5.950 11.513 -10.131 1.00 2.13 N ATOM 1376 CA PRO A 85 -7.375 11.708 -9.910 1.00 2.47 C ATOM 1377 C PRO A 85 -7.883 10.815 -8.775 1.00 2.12 C ATOM 1378 O PRO A 85 -7.245 9.833 -8.399 1.00 1.85 O ATOM 1379 CB PRO A 85 -8.046 11.363 -11.242 1.00 2.92 C ATOM 1380 CG PRO A 85 -7.090 10.340 -11.850 1.00 2.74 C ATOM 1381 CD PRO A 85 -5.724 10.860 -11.411 1.00 2.31 C ATOM 0 HA PRO A 85 -7.602 12.730 -9.606 1.00 2.47 H new ATOM 0 HB2 PRO A 85 -9.043 10.948 -11.096 1.00 2.92 H new ATOM 0 HB3 PRO A 85 -8.156 12.241 -11.878 1.00 2.92 H new ATOM 0 HG2 PRO A 85 -7.281 9.334 -11.475 1.00 2.74 H new ATOM 0 HG3 PRO A 85 -7.178 10.298 -12.936 1.00 2.74 H new ATOM 0 HD2 PRO A 85 -5.006 10.045 -11.315 1.00 2.31 H new ATOM 0 HD3 PRO A 85 -5.317 11.559 -12.142 1.00 2.31 H new ATOM 1389 N LEU A 86 -9.050 11.163 -8.223 1.00 2.37 N ATOM 1390 CA LEU A 86 -9.588 10.451 -7.073 1.00 2.24 C ATOM 1391 C LEU A 86 -9.926 8.994 -7.426 1.00 2.17 C ATOM 1392 O LEU A 86 -10.251 8.683 -8.572 1.00 2.40 O ATOM 1393 CB LEU A 86 -10.784 11.204 -6.458 1.00 2.62 C ATOM 1394 CG LEU A 86 -12.142 11.034 -7.170 1.00 2.90 C ATOM 1395 CD1 LEU A 86 -13.263 11.220 -6.144 1.00 3.67 C ATOM 1396 CD2 LEU A 86 -12.317 12.062 -8.289 1.00 3.67 C ATOM 0 H LEU A 86 -9.633 11.930 -8.556 1.00 2.37 H new ATOM 0 HA LEU A 86 -8.814 10.414 -6.306 1.00 2.24 H new ATOM 0 HB2 LEU A 86 -10.897 10.878 -5.424 1.00 2.62 H new ATOM 0 HB3 LEU A 86 -10.542 12.267 -6.433 1.00 2.62 H new ATOM 0 HG LEU A 86 -12.179 10.038 -7.611 1.00 2.90 H new ATOM 0 HD11 LEU A 86 -14.229 11.102 -6.635 1.00 3.67 H new ATOM 0 HD12 LEU A 86 -13.163 10.473 -5.356 1.00 3.67 H new ATOM 0 HD13 LEU A 86 -13.196 12.217 -5.709 1.00 3.67 H new ATOM 0 HD21 LEU A 86 -13.284 11.915 -8.770 1.00 3.67 H new ATOM 0 HD22 LEU A 86 -12.269 13.067 -7.870 1.00 3.67 H new ATOM 0 HD23 LEU A 86 -11.523 11.938 -9.025 1.00 3.67 H new ATOM 1408 N PRO A 87 -9.861 8.088 -6.442 1.00 2.01 N ATOM 1409 CA PRO A 87 -10.098 6.670 -6.651 1.00 2.08 C ATOM 1410 C PRO A 87 -11.594 6.376 -6.787 1.00 2.23 C ATOM 1411 O PRO A 87 -12.323 6.439 -5.801 1.00 2.33 O ATOM 1412 CB PRO A 87 -9.505 5.998 -5.407 1.00 2.09 C ATOM 1413 CG PRO A 87 -9.621 7.064 -4.317 1.00 2.05 C ATOM 1414 CD PRO A 87 -9.427 8.362 -5.083 1.00 2.00 C ATOM 0 HA PRO A 87 -9.644 6.303 -7.571 1.00 2.08 H new ATOM 0 HB2 PRO A 87 -10.054 5.095 -5.142 1.00 2.09 H new ATOM 0 HB3 PRO A 87 -8.468 5.704 -5.569 1.00 2.09 H new ATOM 0 HG2 PRO A 87 -10.591 7.030 -3.821 1.00 2.05 H new ATOM 0 HG3 PRO A 87 -8.863 6.935 -3.544 1.00 2.05 H new ATOM 0 HD2 PRO A 87 -10.012 9.168 -4.641 1.00 2.00 H new ATOM 0 HD3 PRO A 87 -8.384 8.677 -5.062 1.00 2.00 H new ATOM 1422 N GLU A 88 -12.053 5.977 -7.977 1.00 2.63 N ATOM 1423 CA GLU A 88 -13.471 5.733 -8.219 1.00 2.90 C ATOM 1424 C GLU A 88 -13.640 4.447 -9.035 1.00 3.02 C ATOM 1425 O GLU A 88 -13.729 4.480 -10.258 1.00 3.27 O ATOM 1426 CB GLU A 88 -14.096 6.976 -8.886 1.00 3.43 C ATOM 1427 CG GLU A 88 -15.405 7.352 -8.188 1.00 4.08 C ATOM 1428 CD GLU A 88 -16.055 8.569 -8.848 1.00 4.94 C ATOM 1429 OE1 GLU A 88 -15.516 9.682 -8.659 1.00 5.93 O ATOM 1430 OE2 GLU A 88 -17.086 8.368 -9.528 1.00 5.23 O ATOM 0 H GLU A 88 -11.457 5.817 -8.789 1.00 2.63 H new ATOM 0 HA GLU A 88 -14.006 5.576 -7.282 1.00 2.90 H new ATOM 0 HB2 GLU A 88 -13.398 7.812 -8.839 1.00 3.43 H new ATOM 0 HB3 GLU A 88 -14.283 6.776 -9.941 1.00 3.43 H new ATOM 0 HG2 GLU A 88 -16.093 6.507 -8.220 1.00 4.08 H new ATOM 0 HG3 GLU A 88 -15.211 7.565 -7.137 1.00 4.08 H new ATOM 1437 N ASN A 89 -13.652 3.294 -8.353 1.00 3.37 N ATOM 1438 CA ASN A 89 -13.778 1.963 -8.958 1.00 3.99 C ATOM 1439 C ASN A 89 -12.820 1.760 -10.120 1.00 4.32 C ATOM 1440 O ASN A 89 -13.187 1.189 -11.145 1.00 4.74 O ATOM 1441 CB ASN A 89 -15.203 1.695 -9.438 1.00 4.20 C ATOM 1442 CG ASN A 89 -16.203 1.789 -8.301 1.00 4.34 C ATOM 1443 OD1 ASN A 89 -16.108 1.058 -7.323 1.00 4.88 O ATOM 1444 ND2 ASN A 89 -17.156 2.707 -8.387 1.00 4.32 N ATOM 0 H ASN A 89 -13.572 3.261 -7.337 1.00 3.37 H new ATOM 0 HA ASN A 89 -13.522 1.256 -8.169 1.00 3.99 H new ATOM 0 HB2 ASN A 89 -15.467 2.412 -10.215 1.00 4.20 H new ATOM 0 HB3 ASN A 89 -15.255 0.704 -9.888 1.00 4.20 H new ATOM 0 HD21 ASN A 89 -17.830 2.816 -7.629 1.00 4.32 H new ATOM 0 HD22 ASN A 89 -17.216 3.305 -9.211 1.00 4.32 H new ATOM 1451 N ILE A 90 -11.591 2.229 -9.964 1.00 4.40 N ATOM 1452 CA ILE A 90 -10.590 1.995 -10.977 1.00 4.98 C ATOM 1453 C ILE A 90 -9.975 0.642 -10.646 1.00 5.57 C ATOM 1454 O ILE A 90 -9.742 0.367 -9.470 1.00 5.45 O ATOM 1455 CB ILE A 90 -9.563 3.140 -10.921 1.00 4.76 C ATOM 1456 CG1 ILE A 90 -10.228 4.453 -11.380 1.00 4.82 C ATOM 1457 CG2 ILE A 90 -8.330 2.843 -11.787 1.00 5.62 C ATOM 1458 CD1 ILE A 90 -9.497 5.697 -10.865 1.00 5.45 C ATOM 0 H ILE A 90 -11.272 2.765 -9.157 1.00 4.40 H new ATOM 0 HA ILE A 90 -10.990 1.976 -11.991 1.00 4.98 H new ATOM 0 HB ILE A 90 -9.223 3.238 -9.890 1.00 4.76 H new ATOM 0 HG12 ILE A 90 -10.258 4.479 -12.469 1.00 4.82 H new ATOM 0 HG13 ILE A 90 -11.261 4.473 -11.032 1.00 4.82 H new ATOM 0 HG21 ILE A 90 -7.629 3.675 -11.720 1.00 5.62 H new ATOM 0 HG22 ILE A 90 -7.847 1.933 -11.432 1.00 5.62 H new ATOM 0 HG23 ILE A 90 -8.637 2.710 -12.824 1.00 5.62 H new ATOM 0 HD11 ILE A 90 -10.009 6.592 -11.219 1.00 5.45 H new ATOM 0 HD12 ILE A 90 -9.490 5.690 -9.775 1.00 5.45 H new ATOM 0 HD13 ILE A 90 -8.472 5.695 -11.234 1.00 5.45 H new ATOM 1470 N ASP A 91 -9.682 -0.189 -11.642 1.00 6.37 N ATOM 1471 CA ASP A 91 -8.868 -1.372 -11.431 1.00 7.08 C ATOM 1472 C ASP A 91 -8.064 -1.675 -12.689 1.00 7.99 C ATOM 1473 O ASP A 91 -7.161 -2.539 -12.585 1.00 7.96 O ATOM 1474 CB ASP A 91 -9.687 -2.574 -10.917 1.00 7.35 C ATOM 1475 CG ASP A 91 -10.936 -2.952 -11.723 1.00 8.03 C ATOM 1476 OD1 ASP A 91 -10.911 -2.861 -12.970 1.00 9.03 O ATOM 1477 OD2 ASP A 91 -11.918 -3.372 -11.066 1.00 8.00 O ATOM 1478 OXT ASP A 91 -8.272 -0.941 -13.686 1.00 9.13 O ATOM 0 H ASP A 91 -9.999 -0.061 -12.603 1.00 6.37 H new ATOM 0 HA ASP A 91 -8.159 -1.167 -10.629 1.00 7.08 H new ATOM 0 HB2 ASP A 91 -9.030 -3.443 -10.881 1.00 7.35 H new ATOM 0 HB3 ASP A 91 -9.994 -2.363 -9.893 1.00 7.35 H new TER 1483 ASP A 91