USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -169:sc= 0.889 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.698 K(o=1.6,f=0.23) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -176:sc= 0.012 (180deg=-0.0313) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.0142 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.2 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00571 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 1.21 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.04 (180deg=0.909) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.53 (180deg=1.5) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= -0.0276 (180deg=-0.0797) USER MOD Single : A 40 GLN : amide:sc= -0.0246 K(o=-0.025,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.104 K(o=0.1,f=-0.45) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00357 (180deg=-0.0994) USER MOD Single : A 49 GLN : amide:sc= 1.08 K(o=1.1,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.996 USER MOD Single : A 60 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.26) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 0.584 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.705 -4.764 -4.329 1.00 0.78 N ATOM 2 CA MET A 1 12.699 -5.142 -2.898 1.00 0.70 C ATOM 3 C MET A 1 11.347 -5.694 -2.602 1.00 0.62 C ATOM 4 O MET A 1 10.364 -5.335 -3.248 1.00 0.68 O ATOM 5 CB MET A 1 13.058 -4.083 -1.842 1.00 0.75 C ATOM 6 CG MET A 1 12.036 -2.969 -1.608 1.00 0.79 C ATOM 7 SD MET A 1 12.590 -1.723 -0.406 1.00 1.10 S ATOM 8 CE MET A 1 11.196 -0.560 -0.323 1.00 0.84 C ATOM 0 H1 MET A 1 13.657 -4.910 -4.723 1.00 0.78 H new ATOM 0 H2 MET A 1 12.022 -5.353 -4.847 1.00 0.78 H new ATOM 0 H3 MET A 1 12.441 -3.763 -4.425 1.00 0.78 H new ATOM 0 HA MET A 1 13.524 -5.848 -2.798 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.228 -4.593 -0.894 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.003 -3.622 -2.130 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.821 -2.478 -2.557 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.102 -3.410 -1.259 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.430 0.238 0.381 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.019 -0.133 -1.310 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.302 -1.087 0.010 1.00 0.84 H new ATOM 20 N GLN A 2 11.190 -6.641 -1.660 1.00 0.59 N ATOM 21 CA GLN A 2 9.898 -7.234 -1.515 1.00 0.56 C ATOM 22 C GLN A 2 9.245 -6.666 -0.301 1.00 0.50 C ATOM 23 O GLN A 2 9.828 -6.618 0.781 1.00 0.60 O ATOM 24 CB GLN A 2 10.074 -8.746 -1.292 1.00 0.71 C ATOM 25 CG GLN A 2 10.243 -9.576 -2.565 1.00 1.15 C ATOM 26 CD GLN A 2 10.345 -11.052 -2.208 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.102 -11.392 -1.052 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.854 -11.861 -3.175 1.00 1.72 N ATOM 0 H GLN A 2 11.915 -6.982 -1.029 1.00 0.59 H new ATOM 0 HA GLN A 2 9.297 -7.040 -2.403 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.945 -8.904 -0.656 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.208 -9.120 -0.746 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.397 -9.411 -3.232 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.138 -9.259 -3.101 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.025 -11.492 -4.111 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.065 -12.836 -2.965 1.00 1.72 H new ATOM 37 N ILE A 3 8.033 -6.091 -0.395 1.00 0.44 N ATOM 38 CA ILE A 3 7.278 -5.719 0.761 1.00 0.42 C ATOM 39 C ILE A 3 6.022 -6.520 0.804 1.00 0.40 C ATOM 40 O ILE A 3 5.570 -7.096 -0.184 1.00 0.50 O ATOM 41 CB ILE A 3 6.940 -4.258 0.707 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.318 -3.704 -0.585 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.268 -3.561 1.045 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.531 -2.397 -0.506 1.00 0.72 C ATOM 0 H ILE A 3 7.572 -5.882 -1.281 1.00 0.44 H new ATOM 0 HA ILE A 3 7.870 -5.912 1.655 1.00 0.42 H new ATOM 0 HB ILE A 3 6.124 -4.067 1.404 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.122 -3.565 -1.308 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.654 -4.468 -0.989 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.126 -2.480 1.031 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.600 -3.871 2.036 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.022 -3.837 0.308 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.156 -2.138 -1.496 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.692 -2.518 0.179 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.183 -1.601 -0.145 1.00 0.72 H new ATOM 56 N PHE A 4 5.406 -6.588 1.998 1.00 0.37 N ATOM 57 CA PHE A 4 4.158 -7.235 2.264 1.00 0.38 C ATOM 58 C PHE A 4 3.059 -6.240 2.406 1.00 0.39 C ATOM 59 O PHE A 4 3.178 -5.225 3.090 1.00 0.60 O ATOM 60 CB PHE A 4 4.150 -8.044 3.572 1.00 0.45 C ATOM 61 CG PHE A 4 5.254 -9.044 3.627 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.195 -10.131 2.786 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.285 -8.942 4.531 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.089 -11.165 2.934 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.209 -9.949 4.674 1.00 1.40 C ATOM 66 CZ PHE A 4 7.137 -11.017 3.811 1.00 0.85 C ATOM 0 H PHE A 4 5.808 -6.162 2.833 1.00 0.37 H new ATOM 0 HA PHE A 4 4.013 -7.901 1.413 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.238 -7.363 4.418 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.193 -8.557 3.673 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.446 -10.172 2.009 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.370 -8.054 5.140 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.970 -12.079 2.370 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.968 -9.903 5.441 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.923 -11.758 3.823 1.00 0.85 H new ATOM 76 N VAL A 5 1.897 -6.482 1.772 1.00 0.35 N ATOM 77 CA VAL A 5 0.685 -5.731 1.893 1.00 0.35 C ATOM 78 C VAL A 5 -0.253 -6.670 2.570 1.00 0.35 C ATOM 79 O VAL A 5 -0.550 -7.751 2.063 1.00 0.46 O ATOM 80 CB VAL A 5 0.100 -5.110 0.661 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.008 -4.137 1.101 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.279 -4.470 -0.092 1.00 0.56 C ATOM 0 H VAL A 5 1.799 -7.264 1.125 1.00 0.35 H new ATOM 0 HA VAL A 5 0.898 -4.819 2.450 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.382 -5.810 -0.022 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.452 -3.670 0.222 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.776 -4.684 1.648 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.582 -3.367 1.745 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.915 -3.998 -1.005 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.751 -3.719 0.542 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.008 -5.239 -0.347 1.00 0.56 H new ATOM 92 N LYS A 6 -0.899 -6.326 3.698 1.00 0.36 N ATOM 93 CA LYS A 6 -1.963 -7.093 4.268 1.00 0.39 C ATOM 94 C LYS A 6 -3.301 -6.492 4.006 1.00 0.46 C ATOM 95 O LYS A 6 -3.383 -5.268 3.921 1.00 0.53 O ATOM 96 CB LYS A 6 -1.818 -7.073 5.798 1.00 0.54 C ATOM 97 CG LYS A 6 -0.864 -8.143 6.334 1.00 1.22 C ATOM 98 CD LYS A 6 -1.186 -8.584 7.763 1.00 1.37 C ATOM 99 CE LYS A 6 -0.382 -9.749 8.343 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.581 -10.980 7.547 1.00 2.09 N ATOM 0 H LYS A 6 -0.674 -5.486 4.231 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.901 -8.088 3.828 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.461 -6.091 6.109 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.800 -7.213 6.250 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.899 -9.012 5.677 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.156 -7.759 6.301 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.051 -7.724 8.418 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.242 -8.852 7.802 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.677 -9.491 8.361 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.685 -9.926 9.375 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.080 -11.771 7.999 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.596 -11.199 7.494 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.207 -10.837 6.587 1.00 2.09 H new ATOM 114 N THR A 7 -4.322 -7.344 3.802 1.00 0.58 N ATOM 115 CA THR A 7 -5.659 -6.922 3.515 1.00 0.78 C ATOM 116 C THR A 7 -6.534 -6.816 4.716 1.00 0.94 C ATOM 117 O THR A 7 -6.107 -7.059 5.844 1.00 0.99 O ATOM 118 CB THR A 7 -6.331 -7.715 2.435 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.808 -8.976 2.882 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.430 -7.947 1.209 1.00 0.92 C ATOM 0 H THR A 7 -4.214 -8.358 3.838 1.00 0.58 H new ATOM 0 HA THR A 7 -5.523 -5.911 3.131 1.00 0.78 H new ATOM 0 HB THR A 7 -7.180 -7.095 2.145 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.237 -9.446 2.137 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.973 -8.527 0.463 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.141 -6.986 0.783 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.536 -8.493 1.512 1.00 0.92 H new ATOM 128 N LEU A 8 -7.813 -6.472 4.478 1.00 1.17 N ATOM 129 CA LEU A 8 -8.850 -6.428 5.463 1.00 1.39 C ATOM 130 C LEU A 8 -9.291 -7.780 5.908 1.00 1.44 C ATOM 131 O LEU A 8 -9.884 -7.836 6.984 1.00 1.60 O ATOM 132 CB LEU A 8 -10.026 -5.540 5.026 1.00 1.66 C ATOM 133 CG LEU A 8 -9.826 -4.042 4.740 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.018 -3.436 3.980 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.668 -3.319 6.089 1.00 2.43 C ATOM 0 H LEU A 8 -8.141 -6.211 3.548 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.411 -5.958 6.343 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.442 -5.984 4.122 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.789 -5.618 5.800 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.942 -3.921 4.114 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.834 -2.377 3.799 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.141 -3.951 3.027 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.925 -3.551 4.574 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.524 -2.253 5.916 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.564 -3.471 6.691 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.803 -3.720 6.618 1.00 2.43 H new ATOM 147 N THR A 9 -9.167 -8.813 5.057 1.00 1.41 N ATOM 148 CA THR A 9 -9.701 -10.116 5.310 1.00 1.51 C ATOM 149 C THR A 9 -8.739 -10.968 6.063 1.00 1.37 C ATOM 150 O THR A 9 -8.915 -11.300 7.234 1.00 1.62 O ATOM 151 CB THR A 9 -10.157 -10.828 4.071 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.350 -10.618 2.922 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.534 -10.313 3.618 1.00 2.08 C ATOM 0 H THR A 9 -8.680 -8.740 4.164 1.00 1.41 H new ATOM 0 HA THR A 9 -10.585 -9.948 5.925 1.00 1.51 H new ATOM 0 HB THR A 9 -10.132 -11.875 4.375 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.720 -11.120 2.166 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.843 -10.844 2.718 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.264 -10.483 4.409 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.471 -9.246 3.406 1.00 2.08 H new ATOM 161 N GLY A 10 -7.592 -11.204 5.401 1.00 1.18 N ATOM 162 CA GLY A 10 -6.513 -11.955 5.965 1.00 1.22 C ATOM 163 C GLY A 10 -5.633 -12.480 4.884 1.00 0.99 C ATOM 164 O GLY A 10 -5.072 -13.559 5.067 1.00 1.31 O ATOM 0 H GLY A 10 -7.410 -10.867 4.456 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.935 -11.324 6.641 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.906 -12.781 6.558 1.00 1.22 H new ATOM 168 N LYS A 11 -5.444 -11.683 3.816 1.00 0.73 N ATOM 169 CA LYS A 11 -4.628 -12.090 2.715 1.00 0.60 C ATOM 170 C LYS A 11 -3.302 -11.443 2.918 1.00 0.51 C ATOM 171 O LYS A 11 -3.307 -10.320 3.420 1.00 0.63 O ATOM 172 CB LYS A 11 -5.265 -11.759 1.355 1.00 0.75 C ATOM 173 CG LYS A 11 -4.475 -12.005 0.068 1.00 0.87 C ATOM 174 CD LYS A 11 -5.217 -11.753 -1.247 1.00 1.04 C ATOM 175 CE LYS A 11 -4.353 -11.949 -2.494 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.116 -11.915 -3.762 1.00 1.40 N ATOM 0 H LYS A 11 -5.857 -10.756 3.716 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.518 -13.174 2.689 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.192 -12.328 1.282 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.540 -10.704 1.372 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.588 -11.372 0.086 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.129 -13.039 0.072 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.075 -12.423 -1.303 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.607 -10.735 -1.243 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.588 -11.173 -2.520 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.834 -12.905 -2.419 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.460 -12.003 -4.564 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.794 -12.703 -3.780 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.631 -11.014 -3.833 1.00 1.40 H new ATOM 190 N THR A 12 -2.152 -12.015 2.516 1.00 0.49 N ATOM 191 CA THR A 12 -0.905 -11.317 2.498 1.00 0.48 C ATOM 192 C THR A 12 -0.496 -11.194 1.070 1.00 0.52 C ATOM 193 O THR A 12 -0.493 -12.180 0.333 1.00 0.72 O ATOM 194 CB THR A 12 0.224 -11.990 3.223 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.224 -12.011 4.570 1.00 0.77 O ATOM 196 CG2 THR A 12 1.430 -11.039 3.159 1.00 0.78 C ATOM 0 H THR A 12 -2.088 -12.982 2.197 1.00 0.49 H new ATOM 0 HA THR A 12 -1.076 -10.370 3.011 1.00 0.48 H new ATOM 0 HB THR A 12 0.488 -12.971 2.828 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.454 -12.440 5.133 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.277 -11.490 3.676 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.695 -10.857 2.117 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.174 -10.094 3.638 1.00 0.78 H new ATOM 204 N ILE A 13 -0.180 -9.989 0.565 1.00 0.48 N ATOM 205 CA ILE A 13 0.351 -9.765 -0.744 1.00 0.55 C ATOM 206 C ILE A 13 1.785 -9.369 -0.670 1.00 0.51 C ATOM 207 O ILE A 13 2.151 -8.399 -0.006 1.00 0.56 O ATOM 208 CB ILE A 13 -0.426 -8.723 -1.493 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.920 -8.737 -1.126 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.113 -8.870 -2.992 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.760 -7.652 -1.797 1.00 1.55 C ATOM 0 H ILE A 13 -0.301 -9.127 1.097 1.00 0.48 H new ATOM 0 HA ILE A 13 0.265 -10.705 -1.289 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.113 -7.722 -1.197 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.334 -9.710 -1.389 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.014 -8.632 -0.045 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.669 -8.120 -3.555 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.955 -8.729 -3.156 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.403 -9.865 -3.328 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.797 -7.744 -1.476 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.379 -6.670 -1.515 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.704 -7.766 -2.880 1.00 1.55 H new ATOM 223 N THR A 14 2.599 -10.014 -1.524 1.00 0.55 N ATOM 224 CA THR A 14 3.986 -9.743 -1.740 1.00 0.54 C ATOM 225 C THR A 14 4.142 -8.806 -2.888 1.00 0.55 C ATOM 226 O THR A 14 3.860 -9.201 -4.019 1.00 0.72 O ATOM 227 CB THR A 14 4.902 -10.924 -1.853 1.00 0.67 C ATOM 228 OG1 THR A 14 4.777 -11.776 -0.725 1.00 1.08 O ATOM 229 CG2 THR A 14 6.374 -10.476 -1.852 1.00 1.03 C ATOM 0 H THR A 14 2.262 -10.781 -2.106 1.00 0.55 H new ATOM 0 HA THR A 14 4.325 -9.278 -0.814 1.00 0.54 H new ATOM 0 HB THR A 14 4.629 -11.432 -2.778 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.383 -12.540 -0.823 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.020 -11.350 -1.935 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.553 -9.811 -2.697 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.593 -9.949 -0.923 1.00 1.03 H new ATOM 237 N LEU A 15 4.601 -7.553 -2.718 1.00 0.50 N ATOM 238 CA LEU A 15 4.874 -6.650 -3.792 1.00 0.55 C ATOM 239 C LEU A 15 6.331 -6.390 -3.969 1.00 0.52 C ATOM 240 O LEU A 15 7.101 -6.128 -3.047 1.00 0.58 O ATOM 241 CB LEU A 15 4.137 -5.304 -3.687 1.00 0.69 C ATOM 242 CG LEU A 15 2.608 -5.466 -3.657 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.140 -4.020 -3.418 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.929 -6.085 -4.890 1.00 1.55 C ATOM 0 H LEU A 15 4.789 -7.154 -1.798 1.00 0.50 H new ATOM 0 HA LEU A 15 4.490 -7.172 -4.668 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.461 -4.786 -2.784 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.415 -4.675 -4.533 1.00 0.69 H new ATOM 0 HG LEU A 15 2.325 -6.197 -2.899 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.051 -3.992 -3.375 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.550 -3.656 -2.476 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.487 -3.386 -4.234 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.853 -6.136 -4.725 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.133 -5.469 -5.766 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.319 -7.090 -5.054 1.00 1.55 H new ATOM 256 N GLU A 16 6.764 -6.243 -5.234 1.00 0.59 N ATOM 257 CA GLU A 16 8.134 -5.889 -5.439 1.00 0.63 C ATOM 258 C GLU A 16 8.229 -4.529 -6.042 1.00 0.65 C ATOM 259 O GLU A 16 7.677 -4.254 -7.107 1.00 0.81 O ATOM 260 CB GLU A 16 8.888 -6.822 -6.402 1.00 0.76 C ATOM 261 CG GLU A 16 9.209 -8.231 -5.899 1.00 1.41 C ATOM 262 CD GLU A 16 10.242 -8.880 -6.809 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.468 -8.738 -6.557 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.876 -9.560 -7.805 1.00 1.95 O ATOM 0 H GLU A 16 6.200 -6.362 -6.076 1.00 0.59 H new ATOM 0 HA GLU A 16 8.585 -5.954 -4.449 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.299 -6.915 -7.314 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.826 -6.339 -6.676 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.588 -8.185 -4.878 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.301 -8.834 -5.875 1.00 1.41 H new ATOM 271 N VAL A 17 8.819 -3.615 -5.253 1.00 0.61 N ATOM 272 CA VAL A 17 8.993 -2.221 -5.521 1.00 0.63 C ATOM 273 C VAL A 17 10.450 -1.919 -5.574 1.00 0.65 C ATOM 274 O VAL A 17 11.318 -2.719 -5.226 1.00 0.76 O ATOM 275 CB VAL A 17 8.255 -1.413 -4.494 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.762 -1.742 -4.331 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.856 -1.629 -3.094 1.00 0.92 C ATOM 0 H VAL A 17 9.209 -3.876 -4.347 1.00 0.61 H new ATOM 0 HA VAL A 17 8.570 -1.951 -6.489 1.00 0.63 H new ATOM 0 HB VAL A 17 8.356 -0.396 -4.872 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.329 -1.099 -3.564 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.247 -1.575 -5.277 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.649 -2.785 -4.036 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.305 -1.034 -2.366 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.787 -2.684 -2.827 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.902 -1.323 -3.096 1.00 0.92 H new ATOM 287 N GLU A 18 10.806 -0.657 -5.872 1.00 0.68 N ATOM 288 CA GLU A 18 12.089 -0.075 -5.626 1.00 0.74 C ATOM 289 C GLU A 18 11.845 1.084 -4.721 1.00 0.71 C ATOM 290 O GLU A 18 10.758 1.652 -4.801 1.00 0.74 O ATOM 291 CB GLU A 18 12.690 0.275 -6.997 1.00 0.88 C ATOM 292 CG GLU A 18 12.925 -0.803 -8.057 1.00 1.16 C ATOM 293 CD GLU A 18 13.521 -0.305 -9.367 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.752 -0.050 -9.448 1.00 2.35 O ATOM 295 OE2 GLU A 18 12.752 -0.254 -10.364 1.00 2.33 O ATOM 0 H GLU A 18 10.158 -0.003 -6.312 1.00 0.68 H new ATOM 0 HA GLU A 18 12.814 -0.722 -5.132 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.042 1.027 -7.446 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.652 0.753 -6.810 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.587 -1.562 -7.640 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.975 -1.292 -8.271 1.00 1.16 H new ATOM 302 N PRO A 19 12.735 1.588 -3.918 1.00 0.74 N ATOM 303 CA PRO A 19 12.367 2.563 -2.934 1.00 0.74 C ATOM 304 C PRO A 19 12.078 3.916 -3.487 1.00 0.70 C ATOM 305 O PRO A 19 11.576 4.712 -2.694 1.00 0.74 O ATOM 306 CB PRO A 19 13.580 2.680 -2.013 1.00 0.86 C ATOM 307 CG PRO A 19 14.360 1.358 -2.084 1.00 0.95 C ATOM 308 CD PRO A 19 13.924 0.875 -3.478 1.00 0.82 C ATOM 0 HA PRO A 19 11.448 2.237 -2.446 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.213 3.513 -2.320 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.263 2.881 -0.990 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.438 1.504 -2.010 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.078 0.663 -1.293 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.733 1.030 -4.192 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.723 -0.196 -3.451 1.00 0.82 H new ATOM 316 N SER A 20 12.394 4.136 -4.775 1.00 0.70 N ATOM 317 CA SER A 20 12.048 5.376 -5.397 1.00 0.74 C ATOM 318 C SER A 20 10.674 5.362 -5.975 1.00 0.71 C ATOM 319 O SER A 20 10.230 6.402 -6.459 1.00 0.80 O ATOM 320 CB SER A 20 12.850 5.761 -6.652 1.00 0.89 C ATOM 321 OG SER A 20 14.236 5.859 -6.356 1.00 1.45 O ATOM 0 H SER A 20 12.879 3.470 -5.376 1.00 0.70 H new ATOM 0 HA SER A 20 12.220 6.056 -4.563 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.692 5.016 -7.432 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.489 6.713 -7.042 1.00 0.89 H new ATOM 0 HG SER A 20 14.727 6.103 -7.168 1.00 1.45 H new ATOM 327 N ASP A 21 9.949 4.235 -5.870 1.00 0.70 N ATOM 328 CA ASP A 21 8.617 4.153 -6.384 1.00 0.73 C ATOM 329 C ASP A 21 7.715 5.019 -5.574 1.00 0.64 C ATOM 330 O ASP A 21 7.953 5.103 -4.370 1.00 0.66 O ATOM 331 CB ASP A 21 8.076 2.713 -6.390 1.00 0.87 C ATOM 332 CG ASP A 21 8.660 2.002 -7.602 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.096 2.610 -8.617 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.646 0.756 -7.415 1.00 1.69 O ATOM 0 H ASP A 21 10.285 3.379 -5.429 1.00 0.70 H new ATOM 0 HA ASP A 21 8.647 4.495 -7.418 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.356 2.196 -5.472 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.987 2.714 -6.436 1.00 0.87 H new ATOM 339 N THR A 22 6.623 5.605 -6.097 1.00 0.63 N ATOM 340 CA THR A 22 5.709 6.385 -5.323 1.00 0.58 C ATOM 341 C THR A 22 4.673 5.493 -4.730 1.00 0.53 C ATOM 342 O THR A 22 4.449 4.332 -5.071 1.00 0.58 O ATOM 343 CB THR A 22 4.940 7.344 -6.184 1.00 0.63 C ATOM 344 OG1 THR A 22 4.369 6.769 -7.350 1.00 0.70 O ATOM 345 CG2 THR A 22 5.962 8.376 -6.689 1.00 0.75 C ATOM 0 H THR A 22 6.370 5.535 -7.082 1.00 0.63 H new ATOM 0 HA THR A 22 6.301 6.912 -4.575 1.00 0.58 H new ATOM 0 HB THR A 22 4.124 7.737 -5.577 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.039 7.480 -7.938 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.459 9.105 -7.325 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.414 8.887 -5.839 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.738 7.869 -7.262 1.00 0.75 H new ATOM 353 N ILE A 23 3.912 6.153 -3.840 1.00 0.51 N ATOM 354 CA ILE A 23 2.774 5.520 -3.248 1.00 0.48 C ATOM 355 C ILE A 23 1.748 5.129 -4.254 1.00 0.48 C ATOM 356 O ILE A 23 1.292 3.986 -4.246 1.00 0.51 O ATOM 357 CB ILE A 23 2.275 6.136 -1.974 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.361 6.469 -0.936 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.120 5.380 -1.296 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.855 5.201 -0.241 1.00 0.73 C ATOM 0 H ILE A 23 4.080 7.111 -3.533 1.00 0.51 H new ATOM 0 HA ILE A 23 3.138 4.568 -2.861 1.00 0.48 H new ATOM 0 HB ILE A 23 1.878 7.082 -2.342 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.196 6.970 -1.425 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.962 7.163 -0.196 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.829 5.902 -0.384 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.268 5.333 -1.974 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.443 4.369 -1.048 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.622 5.461 0.488 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.021 4.716 0.267 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.274 4.520 -0.982 1.00 0.73 H new ATOM 372 N GLU A 24 1.359 6.028 -5.175 1.00 0.50 N ATOM 373 CA GLU A 24 0.640 5.704 -6.367 1.00 0.53 C ATOM 374 C GLU A 24 1.015 4.498 -7.158 1.00 0.50 C ATOM 375 O GLU A 24 0.192 3.655 -7.513 1.00 0.55 O ATOM 376 CB GLU A 24 0.588 6.934 -7.290 1.00 0.64 C ATOM 377 CG GLU A 24 -0.186 6.823 -8.606 1.00 0.95 C ATOM 378 CD GLU A 24 0.027 7.972 -9.580 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.144 8.010 -10.165 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.856 8.866 -9.681 1.00 1.62 O ATOM 0 H GLU A 24 1.554 7.025 -5.085 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.331 5.412 -5.967 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.159 7.759 -6.721 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.614 7.213 -7.530 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.097 5.893 -9.098 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.250 6.752 -8.379 1.00 0.95 H new ATOM 387 N ASN A 25 2.320 4.409 -7.470 1.00 0.51 N ATOM 388 CA ASN A 25 2.811 3.240 -8.131 1.00 0.52 C ATOM 389 C ASN A 25 2.696 1.920 -7.448 1.00 0.47 C ATOM 390 O ASN A 25 2.522 0.903 -8.117 1.00 0.53 O ATOM 391 CB ASN A 25 4.264 3.444 -8.590 1.00 0.64 C ATOM 392 CG ASN A 25 4.256 4.174 -9.926 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.218 3.465 -10.931 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.228 5.532 -9.997 1.00 1.57 N ATOM 0 H ASN A 25 3.019 5.125 -7.272 1.00 0.51 H new ATOM 0 HA ASN A 25 2.110 3.154 -8.962 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.817 4.020 -7.848 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.768 2.482 -8.688 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.174 5.994 -10.905 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.261 6.088 -9.143 1.00 1.57 H new ATOM 401 N VAL A 26 2.620 1.906 -6.105 1.00 0.45 N ATOM 402 CA VAL A 26 2.419 0.724 -5.327 1.00 0.44 C ATOM 403 C VAL A 26 0.991 0.313 -5.430 1.00 0.40 C ATOM 404 O VAL A 26 0.586 -0.846 -5.518 1.00 0.44 O ATOM 405 CB VAL A 26 2.764 0.885 -3.876 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.513 -0.406 -3.079 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.267 1.206 -3.822 1.00 0.62 C ATOM 0 H VAL A 26 2.702 2.751 -5.540 1.00 0.45 H new ATOM 0 HA VAL A 26 3.093 -0.031 -5.732 1.00 0.44 H new ATOM 0 HB VAL A 26 2.145 1.667 -3.437 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.776 -0.245 -2.034 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.460 -0.679 -3.151 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.125 -1.210 -3.487 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.575 1.334 -2.784 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.830 0.387 -4.269 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.463 2.125 -4.374 1.00 0.62 H new ATOM 417 N LYS A 27 0.110 1.329 -5.416 1.00 0.40 N ATOM 418 CA LYS A 27 -1.307 1.192 -5.547 1.00 0.41 C ATOM 419 C LYS A 27 -1.685 0.672 -6.892 1.00 0.38 C ATOM 420 O LYS A 27 -2.614 -0.115 -7.067 1.00 0.42 O ATOM 421 CB LYS A 27 -2.239 2.369 -5.220 1.00 0.51 C ATOM 422 CG LYS A 27 -1.992 2.673 -3.740 1.00 0.76 C ATOM 423 CD LYS A 27 -2.837 3.805 -3.153 1.00 0.82 C ATOM 424 CE LYS A 27 -2.423 5.197 -3.634 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.424 6.156 -3.117 1.00 1.11 N ATOM 0 H LYS A 27 0.404 2.300 -5.307 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.486 0.492 -4.731 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.015 3.235 -5.843 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.282 2.108 -5.400 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.179 1.767 -3.164 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.939 2.923 -3.609 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.882 3.637 -3.412 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.768 3.771 -2.066 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.426 5.448 -3.271 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.384 5.232 -4.723 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.139 7.124 -3.367 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.352 5.949 -3.537 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.485 6.070 -2.082 1.00 1.11 H new ATOM 439 N ALA A 28 -0.972 1.079 -7.957 1.00 0.39 N ATOM 440 CA ALA A 28 -1.095 0.660 -9.320 1.00 0.39 C ATOM 441 C ALA A 28 -0.730 -0.766 -9.550 1.00 0.36 C ATOM 442 O ALA A 28 -1.389 -1.391 -10.381 1.00 0.42 O ATOM 443 CB ALA A 28 -0.234 1.573 -10.209 1.00 0.51 C ATOM 0 H ALA A 28 -0.233 1.774 -7.850 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.150 0.744 -9.580 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.324 1.258 -11.249 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.576 2.603 -10.111 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.809 1.505 -9.898 1.00 0.51 H new ATOM 449 N LYS A 29 0.107 -1.281 -8.632 1.00 0.39 N ATOM 450 CA LYS A 29 0.432 -2.671 -8.544 1.00 0.43 C ATOM 451 C LYS A 29 -0.638 -3.478 -7.891 1.00 0.44 C ATOM 452 O LYS A 29 -0.916 -4.586 -8.346 1.00 0.54 O ATOM 453 CB LYS A 29 1.716 -2.963 -7.750 1.00 0.54 C ATOM 454 CG LYS A 29 2.967 -2.410 -8.435 1.00 0.65 C ATOM 455 CD LYS A 29 4.326 -2.630 -7.769 1.00 1.08 C ATOM 456 CE LYS A 29 5.414 -1.654 -8.219 1.00 1.24 C ATOM 457 NZ LYS A 29 5.880 -2.065 -9.562 1.00 1.44 N ATOM 0 H LYS A 29 0.574 -0.711 -7.927 1.00 0.39 H new ATOM 0 HA LYS A 29 0.561 -2.953 -9.589 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.630 -2.530 -6.754 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.822 -4.040 -7.621 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.015 -2.842 -9.435 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.829 -1.336 -8.558 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.205 -2.548 -6.689 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.659 -3.647 -7.976 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.023 -0.637 -8.247 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.243 -1.657 -7.512 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.622 -1.412 -9.887 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.264 -3.030 -9.516 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.082 -2.041 -10.229 1.00 1.44 H new ATOM 471 N ILE A 30 -1.324 -2.997 -6.840 1.00 0.41 N ATOM 472 CA ILE A 30 -2.467 -3.608 -6.233 1.00 0.44 C ATOM 473 C ILE A 30 -3.638 -3.635 -7.154 1.00 0.45 C ATOM 474 O ILE A 30 -4.397 -4.586 -7.343 1.00 0.56 O ATOM 475 CB ILE A 30 -2.662 -3.153 -4.817 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.475 -3.539 -3.917 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.008 -3.715 -4.333 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.725 -3.034 -2.497 1.00 1.32 C ATOM 0 H ILE A 30 -1.063 -2.123 -6.384 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.292 -4.674 -6.086 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.692 -2.065 -4.765 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.346 -4.621 -3.912 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.553 -3.110 -4.310 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.183 -3.403 -3.303 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.809 -3.338 -4.968 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.987 -4.804 -4.384 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.884 -3.308 -1.860 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.832 -1.949 -2.510 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.638 -3.484 -2.106 1.00 1.32 H new ATOM 490 N GLN A 31 -3.776 -2.469 -7.809 1.00 0.41 N ATOM 491 CA GLN A 31 -4.749 -2.369 -8.852 1.00 0.48 C ATOM 492 C GLN A 31 -4.500 -3.384 -9.914 1.00 0.52 C ATOM 493 O GLN A 31 -5.418 -4.135 -10.240 1.00 0.66 O ATOM 494 CB GLN A 31 -4.721 -1.005 -9.562 1.00 0.52 C ATOM 495 CG GLN A 31 -5.710 -0.675 -10.681 1.00 0.70 C ATOM 496 CD GLN A 31 -5.524 0.780 -11.085 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.440 1.329 -10.895 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.601 1.443 -11.585 1.00 1.43 N ATOM 0 H GLN A 31 -3.236 -1.623 -7.627 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.709 -2.520 -8.359 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.845 -0.243 -8.793 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.720 -0.881 -9.975 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.543 -1.329 -11.537 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.732 -0.846 -10.344 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.482 0.950 -11.727 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.527 2.433 -11.818 1.00 1.43 H new ATOM 507 N ASP A 32 -3.280 -3.397 -10.479 1.00 0.50 N ATOM 508 CA ASP A 32 -2.899 -4.456 -11.361 1.00 0.60 C ATOM 509 C ASP A 32 -3.492 -5.812 -11.187 1.00 0.65 C ATOM 510 O ASP A 32 -4.117 -6.431 -12.046 1.00 0.81 O ATOM 511 CB ASP A 32 -1.372 -4.442 -11.552 1.00 0.67 C ATOM 512 CG ASP A 32 -0.892 -5.348 -12.676 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.346 -5.222 -13.845 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.091 -6.094 -12.422 1.00 1.55 O ATOM 0 H ASP A 32 -2.566 -2.685 -10.328 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.402 -4.210 -12.296 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.049 -3.421 -11.756 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.895 -4.748 -10.621 1.00 0.67 H new ATOM 519 N LYS A 33 -3.313 -6.351 -9.968 1.00 0.62 N ATOM 520 CA LYS A 33 -3.774 -7.649 -9.586 1.00 0.73 C ATOM 521 C LYS A 33 -5.203 -7.783 -9.186 1.00 0.69 C ATOM 522 O LYS A 33 -6.036 -8.434 -9.816 1.00 0.83 O ATOM 523 CB LYS A 33 -2.896 -8.296 -8.501 1.00 0.85 C ATOM 524 CG LYS A 33 -1.386 -8.052 -8.515 1.00 1.31 C ATOM 525 CD LYS A 33 -0.592 -8.521 -7.294 1.00 1.71 C ATOM 526 CE LYS A 33 0.925 -8.336 -7.354 1.00 2.26 C ATOM 527 NZ LYS A 33 1.524 -8.920 -8.575 1.00 2.62 N ATOM 0 H LYS A 33 -2.826 -5.861 -9.217 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.686 -8.182 -10.533 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.272 -7.963 -7.534 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.054 -9.373 -8.551 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.972 -8.543 -9.396 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.218 -6.982 -8.637 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.966 -7.989 -6.419 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.801 -9.579 -7.137 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.159 -7.272 -7.313 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.378 -8.796 -6.476 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.561 -8.857 -8.517 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.241 -9.917 -8.657 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.191 -8.396 -9.410 1.00 2.62 H new ATOM 541 N GLU A 34 -5.642 -6.949 -8.227 1.00 0.63 N ATOM 542 CA GLU A 34 -6.872 -7.259 -7.568 1.00 0.67 C ATOM 543 C GLU A 34 -7.945 -6.544 -8.315 1.00 0.69 C ATOM 544 O GLU A 34 -9.122 -6.898 -8.273 1.00 0.95 O ATOM 545 CB GLU A 34 -6.728 -6.788 -6.111 1.00 0.73 C ATOM 546 CG GLU A 34 -5.688 -7.489 -5.235 1.00 0.83 C ATOM 547 CD GLU A 34 -5.823 -9.004 -5.308 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.595 -9.633 -4.536 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.011 -9.632 -6.038 1.00 1.48 O ATOM 0 H GLU A 34 -5.172 -6.098 -7.918 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.120 -8.320 -7.552 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.492 -5.724 -6.125 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.699 -6.893 -5.627 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.687 -7.197 -5.553 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.802 -7.162 -4.201 1.00 0.83 H new ATOM 556 N GLY A 35 -7.656 -5.467 -9.067 1.00 0.63 N ATOM 557 CA GLY A 35 -8.500 -4.670 -9.902 1.00 0.68 C ATOM 558 C GLY A 35 -9.078 -3.468 -9.237 1.00 0.76 C ATOM 559 O GLY A 35 -10.073 -2.879 -9.655 1.00 1.12 O ATOM 0 H GLY A 35 -6.700 -5.112 -9.089 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.928 -4.347 -10.772 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.316 -5.292 -10.270 1.00 0.68 H new ATOM 563 N ILE A 36 -8.624 -3.095 -8.027 1.00 0.70 N ATOM 564 CA ILE A 36 -9.126 -2.051 -7.189 1.00 0.76 C ATOM 565 C ILE A 36 -8.478 -0.763 -7.565 1.00 0.71 C ATOM 566 O ILE A 36 -7.252 -0.714 -7.644 1.00 0.73 O ATOM 567 CB ILE A 36 -8.819 -2.367 -5.756 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.252 -3.773 -5.306 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.458 -1.229 -4.941 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.305 -4.318 -4.237 1.00 1.16 C ATOM 0 H ILE A 36 -7.831 -3.571 -7.597 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.205 -1.968 -7.317 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.742 -2.411 -5.596 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.268 -3.737 -4.913 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.265 -4.446 -6.163 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.273 -1.394 -3.879 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.021 -0.277 -5.242 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.532 -1.209 -5.124 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.632 -5.313 -3.935 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.294 -4.375 -4.641 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.313 -3.655 -3.372 1.00 1.16 H new ATOM 582 N PRO A 37 -9.128 0.315 -7.890 1.00 0.75 N ATOM 583 CA PRO A 37 -8.480 1.560 -8.182 1.00 0.79 C ATOM 584 C PRO A 37 -7.706 2.283 -7.134 1.00 0.75 C ATOM 585 O PRO A 37 -8.209 2.211 -6.015 1.00 0.75 O ATOM 586 CB PRO A 37 -9.640 2.458 -8.606 1.00 0.95 C ATOM 587 CG PRO A 37 -10.533 1.433 -9.324 1.00 1.02 C ATOM 588 CD PRO A 37 -10.492 0.215 -8.387 1.00 0.85 C ATOM 0 HA PRO A 37 -7.692 1.327 -8.898 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.140 2.920 -7.755 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.321 3.265 -9.265 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.549 1.806 -9.456 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.151 1.191 -10.316 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.231 0.280 -7.588 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.674 -0.721 -8.914 1.00 0.85 H new ATOM 596 N PRO A 38 -6.675 3.043 -7.360 1.00 0.81 N ATOM 597 CA PRO A 38 -5.949 3.618 -6.265 1.00 0.85 C ATOM 598 C PRO A 38 -6.623 4.680 -5.465 1.00 0.89 C ATOM 599 O PRO A 38 -6.037 4.998 -4.432 1.00 0.99 O ATOM 600 CB PRO A 38 -4.721 4.163 -6.991 1.00 1.01 C ATOM 601 CG PRO A 38 -4.446 3.182 -8.141 1.00 1.25 C ATOM 602 CD PRO A 38 -5.895 2.911 -8.581 1.00 0.98 C ATOM 0 HA PRO A 38 -5.778 2.876 -5.485 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.905 5.168 -7.370 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.866 4.227 -6.319 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -3.841 3.622 -8.934 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.931 2.280 -7.810 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.220 3.624 -9.339 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.999 1.916 -9.014 1.00 0.98 H new ATOM 610 N ASP A 39 -7.729 5.290 -5.927 1.00 0.96 N ATOM 611 CA ASP A 39 -8.422 6.260 -5.137 1.00 1.11 C ATOM 612 C ASP A 39 -9.347 5.596 -4.176 1.00 1.00 C ATOM 613 O ASP A 39 -9.817 6.205 -3.217 1.00 1.14 O ATOM 614 CB ASP A 39 -9.042 7.253 -6.135 1.00 1.39 C ATOM 615 CG ASP A 39 -9.379 8.558 -5.428 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.400 9.227 -5.002 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.574 8.958 -5.388 1.00 2.23 O ATOM 0 H ASP A 39 -8.142 5.113 -6.843 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.776 6.833 -4.471 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.346 7.442 -6.953 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.943 6.825 -6.575 1.00 1.39 H new ATOM 622 N GLN A 40 -9.572 4.278 -4.319 1.00 0.87 N ATOM 623 CA GLN A 40 -10.446 3.542 -3.458 1.00 0.84 C ATOM 624 C GLN A 40 -9.638 2.912 -2.377 1.00 0.67 C ATOM 625 O GLN A 40 -10.171 2.573 -1.322 1.00 0.80 O ATOM 626 CB GLN A 40 -11.236 2.508 -4.278 1.00 0.95 C ATOM 627 CG GLN A 40 -12.587 2.124 -3.671 1.00 1.32 C ATOM 628 CD GLN A 40 -12.660 0.792 -2.939 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.731 0.834 -1.712 1.00 1.70 O ATOM 630 NE2 GLN A 40 -12.879 -0.320 -3.693 1.00 2.02 N ATOM 0 H GLN A 40 -9.138 3.711 -5.048 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.175 4.204 -2.992 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.400 2.905 -5.280 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.631 1.608 -4.387 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.882 2.910 -2.975 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.327 2.112 -4.471 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -12.800 -0.271 -4.709 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.122 -1.202 -3.242 1.00 2.02 H new ATOM 639 N GLN A 41 -8.307 2.846 -2.559 1.00 0.56 N ATOM 640 CA GLN A 41 -7.287 2.297 -1.721 1.00 0.51 C ATOM 641 C GLN A 41 -6.709 3.352 -0.842 1.00 0.49 C ATOM 642 O GLN A 41 -6.127 4.392 -1.150 1.00 0.65 O ATOM 643 CB GLN A 41 -6.162 1.681 -2.570 1.00 0.67 C ATOM 644 CG GLN A 41 -6.532 0.520 -3.493 1.00 0.69 C ATOM 645 CD GLN A 41 -5.254 0.117 -4.217 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.217 -0.194 -3.632 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.313 0.277 -5.566 1.00 0.61 N ATOM 0 H GLN A 41 -7.897 3.231 -3.410 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.742 1.521 -1.106 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.730 2.473 -3.182 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.379 1.337 -1.894 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.934 -0.317 -2.922 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.302 0.820 -4.204 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.194 0.535 -6.011 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.477 0.138 -6.133 1.00 0.61 H new ATOM 656 N ARG A 42 -6.739 3.113 0.481 1.00 0.47 N ATOM 657 CA ARG A 42 -6.087 3.850 1.519 1.00 0.55 C ATOM 658 C ARG A 42 -4.965 2.967 1.945 1.00 0.46 C ATOM 659 O ARG A 42 -5.258 1.922 2.524 1.00 0.52 O ATOM 660 CB ARG A 42 -7.132 4.007 2.636 1.00 0.73 C ATOM 661 CG ARG A 42 -8.280 4.965 2.313 1.00 1.04 C ATOM 662 CD ARG A 42 -9.291 5.231 3.429 1.00 1.28 C ATOM 663 NE ARG A 42 -8.627 5.764 4.652 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.977 5.415 5.925 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.905 4.450 6.192 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.445 6.114 6.969 1.00 2.78 N ATOM 0 H ARG A 42 -7.271 2.328 0.858 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.713 4.835 1.238 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.550 3.026 2.864 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.629 4.356 3.538 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.850 5.920 2.009 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.820 4.570 1.452 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -10.040 5.942 3.081 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.817 4.308 3.672 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.864 6.430 4.531 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.366 3.959 5.425 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.138 4.220 7.158 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.798 6.882 6.791 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.694 5.868 7.927 1.00 2.78 H new ATOM 680 N LEU A 43 -3.695 3.310 1.665 1.00 0.46 N ATOM 681 CA LEU A 43 -2.608 2.550 2.201 1.00 0.42 C ATOM 682 C LEU A 43 -2.247 3.151 3.515 1.00 0.43 C ATOM 683 O LEU A 43 -2.115 4.374 3.520 1.00 0.55 O ATOM 684 CB LEU A 43 -1.389 2.517 1.264 1.00 0.55 C ATOM 685 CG LEU A 43 -1.490 1.558 0.067 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.234 1.697 -0.811 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.606 0.069 0.435 1.00 1.12 C ATOM 0 H LEU A 43 -3.423 4.099 1.078 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.921 1.512 2.317 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.219 3.525 0.885 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.511 2.245 1.850 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.409 1.847 -0.443 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.306 1.017 -1.660 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.155 2.722 -1.173 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.650 1.451 -0.223 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.672 -0.527 -0.475 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.728 -0.235 1.005 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.501 -0.088 1.037 1.00 1.12 H new ATOM 699 N ILE A 44 -2.255 2.314 4.569 1.00 0.42 N ATOM 700 CA ILE A 44 -1.971 2.719 5.911 1.00 0.46 C ATOM 701 C ILE A 44 -0.812 1.902 6.370 1.00 0.42 C ATOM 702 O ILE A 44 -0.744 0.683 6.225 1.00 0.53 O ATOM 703 CB ILE A 44 -3.100 2.458 6.864 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.225 3.292 6.228 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.813 2.689 8.358 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.491 3.333 7.083 1.00 1.27 C ATOM 0 H ILE A 44 -2.467 1.320 4.483 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.786 3.793 5.906 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.353 1.402 6.959 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.869 4.309 6.066 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.467 2.879 5.249 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.708 2.466 8.939 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -2.000 2.036 8.678 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.527 3.729 8.517 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.249 3.936 6.583 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.868 2.320 7.224 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.261 3.772 8.054 1.00 1.27 H new ATOM 718 N PHE A 45 0.114 2.607 7.042 1.00 0.42 N ATOM 719 CA PHE A 45 1.342 2.038 7.506 1.00 0.46 C ATOM 720 C PHE A 45 1.722 2.720 8.775 1.00 0.68 C ATOM 721 O PHE A 45 1.744 3.948 8.831 1.00 1.50 O ATOM 722 CB PHE A 45 2.405 2.026 6.394 1.00 0.56 C ATOM 723 CG PHE A 45 3.790 1.883 6.926 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.292 0.609 7.047 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.663 2.899 7.235 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.413 0.270 7.767 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.845 2.637 7.886 1.00 1.33 C ATOM 728 CZ PHE A 45 6.194 1.334 8.154 1.00 1.02 C ATOM 0 H PHE A 45 0.008 3.596 7.269 1.00 0.42 H new ATOM 0 HA PHE A 45 1.233 0.981 7.750 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.197 1.206 5.707 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.334 2.949 5.819 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.766 -0.185 6.538 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.417 3.915 6.963 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.661 -0.753 8.010 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.494 3.447 8.184 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.113 1.140 8.687 1.00 1.02 H new ATOM 738 N ALA A 46 1.913 1.946 9.859 1.00 0.81 N ATOM 739 CA ALA A 46 2.413 2.466 11.094 1.00 0.96 C ATOM 740 C ALA A 46 1.385 3.109 11.959 1.00 0.97 C ATOM 741 O ALA A 46 1.170 2.725 13.108 1.00 1.21 O ATOM 742 CB ALA A 46 3.710 3.284 10.973 1.00 1.20 C ATOM 0 H ALA A 46 1.718 0.945 9.878 1.00 0.81 H new ATOM 0 HA ALA A 46 2.708 1.567 11.636 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.011 3.636 11.960 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.498 2.657 10.555 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.541 4.139 10.318 1.00 1.20 H new ATOM 748 N GLY A 47 0.603 4.040 11.384 1.00 0.99 N ATOM 749 CA GLY A 47 -0.429 4.824 11.989 1.00 1.10 C ATOM 750 C GLY A 47 -1.058 5.805 11.062 1.00 1.03 C ATOM 751 O GLY A 47 -2.251 6.085 11.179 1.00 1.30 O ATOM 0 H GLY A 47 0.706 4.264 10.394 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.200 4.157 12.376 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.013 5.359 12.843 1.00 1.10 H new ATOM 755 N LYS A 48 -0.280 6.386 10.132 1.00 0.98 N ATOM 756 CA LYS A 48 -0.665 7.352 9.151 1.00 1.05 C ATOM 757 C LYS A 48 -1.131 6.716 7.885 1.00 0.84 C ATOM 758 O LYS A 48 -0.783 5.620 7.452 1.00 0.81 O ATOM 759 CB LYS A 48 0.377 8.448 8.871 1.00 1.42 C ATOM 760 CG LYS A 48 0.982 9.034 10.148 1.00 1.61 C ATOM 761 CD LYS A 48 2.155 9.952 9.799 1.00 1.87 C ATOM 762 CE LYS A 48 3.542 9.324 9.647 1.00 2.22 C ATOM 763 NZ LYS A 48 3.989 8.570 10.841 1.00 2.55 N ATOM 0 H LYS A 48 0.711 6.156 10.062 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.508 7.870 9.609 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.175 8.035 8.253 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.090 9.248 8.296 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.223 9.592 10.696 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.321 8.230 10.802 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.915 10.459 8.865 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.219 10.719 10.571 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.536 8.654 8.787 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.266 10.111 9.433 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.988 8.303 10.729 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.882 9.165 11.687 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.411 7.712 10.946 1.00 2.55 H new ATOM 777 N GLN A 49 -1.807 7.561 7.087 1.00 0.84 N ATOM 778 CA GLN A 49 -2.198 7.254 5.747 1.00 0.80 C ATOM 779 C GLN A 49 -1.234 7.835 4.770 1.00 0.72 C ATOM 780 O GLN A 49 -0.857 8.996 4.909 1.00 0.83 O ATOM 781 CB GLN A 49 -3.628 7.737 5.453 1.00 1.03 C ATOM 782 CG GLN A 49 -4.193 7.007 4.232 1.00 1.67 C ATOM 783 CD GLN A 49 -5.552 7.641 3.979 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.514 7.426 4.715 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.609 8.316 2.801 1.00 2.48 N ATOM 0 H GLN A 49 -2.092 8.493 7.387 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.187 6.169 5.640 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.265 7.559 6.319 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.627 8.812 5.274 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.539 7.121 3.368 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.287 5.938 4.422 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.762 8.451 2.249 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.499 8.688 2.469 1.00 2.48 H new ATOM 794 N LEU A 50 -0.750 7.116 3.742 1.00 0.69 N ATOM 795 CA LEU A 50 0.364 7.587 2.977 1.00 0.66 C ATOM 796 C LEU A 50 0.006 8.452 1.818 1.00 0.72 C ATOM 797 O LEU A 50 -0.794 8.084 0.960 1.00 0.90 O ATOM 798 CB LEU A 50 1.189 6.381 2.497 1.00 0.65 C ATOM 799 CG LEU A 50 1.509 5.358 3.600 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.319 4.225 2.950 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.242 5.980 4.800 1.00 0.74 C ATOM 0 H LEU A 50 -1.125 6.216 3.442 1.00 0.69 H new ATOM 0 HA LEU A 50 0.943 8.226 3.644 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.645 5.878 1.697 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.124 6.742 2.069 1.00 0.65 H new ATOM 0 HG LEU A 50 0.581 4.970 4.020 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.566 3.476 3.703 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.728 3.763 2.159 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.238 4.631 2.527 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.440 5.209 5.545 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.185 6.413 4.466 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.621 6.760 5.241 1.00 0.74 H new ATOM 813 N GLU A 51 0.636 9.632 1.680 1.00 0.70 N ATOM 814 CA GLU A 51 0.475 10.505 0.558 1.00 0.76 C ATOM 815 C GLU A 51 0.959 9.972 -0.746 1.00 0.77 C ATOM 816 O GLU A 51 2.002 9.330 -0.854 1.00 1.23 O ATOM 817 CB GLU A 51 0.870 11.969 0.817 1.00 0.88 C ATOM 818 CG GLU A 51 0.000 12.599 1.907 1.00 1.35 C ATOM 819 CD GLU A 51 0.671 13.825 2.508 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.965 14.830 1.808 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.796 13.737 3.759 1.00 1.89 O ATOM 0 H GLU A 51 1.285 9.993 2.379 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.608 10.530 0.438 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.918 12.018 1.113 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.772 12.542 -0.105 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.966 12.879 1.488 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.193 11.866 2.691 1.00 1.35 H new ATOM 828 N ASP A 52 0.083 10.103 -1.758 1.00 0.66 N ATOM 829 CA ASP A 52 0.102 9.589 -3.093 1.00 0.65 C ATOM 830 C ASP A 52 1.418 9.696 -3.783 1.00 0.60 C ATOM 831 O ASP A 52 2.008 8.728 -4.260 1.00 0.62 O ATOM 832 CB ASP A 52 -1.018 10.196 -3.954 1.00 0.81 C ATOM 833 CG ASP A 52 -2.415 9.998 -3.383 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.965 8.865 -3.411 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.040 11.019 -2.988 1.00 1.44 O ATOM 0 H ASP A 52 -0.763 10.653 -1.611 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.081 8.521 -2.977 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.833 11.264 -4.072 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.977 9.753 -4.949 1.00 0.81 H new ATOM 840 N GLY A 53 1.799 10.973 -3.963 1.00 0.68 N ATOM 841 CA GLY A 53 3.071 11.360 -4.490 1.00 0.73 C ATOM 842 C GLY A 53 4.153 11.662 -3.512 1.00 0.72 C ATOM 843 O GLY A 53 4.766 12.728 -3.557 1.00 0.97 O ATOM 0 H GLY A 53 1.199 11.765 -3.733 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.421 10.562 -5.145 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.924 12.242 -5.113 1.00 0.73 H new ATOM 847 N ARG A 54 4.556 10.686 -2.680 1.00 0.64 N ATOM 848 CA ARG A 54 5.830 10.607 -2.035 1.00 0.63 C ATOM 849 C ARG A 54 6.370 9.265 -2.391 1.00 0.59 C ATOM 850 O ARG A 54 5.615 8.396 -2.825 1.00 0.62 O ATOM 851 CB ARG A 54 5.781 10.775 -0.507 1.00 0.69 C ATOM 852 CG ARG A 54 4.796 11.802 0.053 1.00 0.82 C ATOM 853 CD ARG A 54 5.133 13.284 -0.128 1.00 1.18 C ATOM 854 NE ARG A 54 4.123 14.004 0.697 1.00 1.50 N ATOM 855 CZ ARG A 54 4.507 14.597 1.866 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.797 14.706 2.298 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.507 15.234 2.541 1.00 2.49 N ATOM 0 H ARG A 54 3.951 9.900 -2.442 1.00 0.64 H new ATOM 0 HA ARG A 54 6.457 11.431 -2.375 1.00 0.63 H new ATOM 0 HB2 ARG A 54 5.544 9.806 -0.068 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.780 11.044 -0.165 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.825 11.620 -0.407 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.684 11.612 1.120 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.147 13.503 0.206 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.072 13.579 -1.176 1.00 1.18 H new ATOM 0 HE ARG A 54 3.151 14.054 0.391 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.558 14.329 1.733 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.000 15.165 3.186 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.560 15.240 2.163 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.707 15.704 3.424 1.00 2.49 H new ATOM 871 N THR A 55 7.637 9.015 -2.017 1.00 0.63 N ATOM 872 CA THR A 55 8.200 7.702 -2.099 1.00 0.61 C ATOM 873 C THR A 55 8.214 6.885 -0.853 1.00 0.59 C ATOM 874 O THR A 55 7.955 7.334 0.262 1.00 0.64 O ATOM 875 CB THR A 55 9.590 7.551 -2.640 1.00 0.68 C ATOM 876 OG1 THR A 55 10.628 8.068 -1.821 1.00 0.75 O ATOM 877 CG2 THR A 55 9.627 8.233 -4.019 1.00 0.76 C ATOM 0 H THR A 55 8.275 9.725 -1.656 1.00 0.63 H new ATOM 0 HA THR A 55 7.466 7.339 -2.819 1.00 0.61 H new ATOM 0 HB THR A 55 9.793 6.481 -2.689 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.437 9.004 -1.602 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.627 8.142 -4.443 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.907 7.753 -4.682 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.374 9.288 -3.910 1.00 0.76 H new ATOM 885 N LEU A 56 8.708 5.639 -0.961 1.00 0.58 N ATOM 886 CA LEU A 56 8.937 4.725 0.115 1.00 0.59 C ATOM 887 C LEU A 56 10.182 5.103 0.841 1.00 0.64 C ATOM 888 O LEU A 56 10.207 4.859 2.046 1.00 0.70 O ATOM 889 CB LEU A 56 9.100 3.341 -0.536 1.00 0.60 C ATOM 890 CG LEU A 56 7.948 2.875 -1.443 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.363 1.549 -2.101 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.525 2.853 -0.859 1.00 1.03 C ATOM 0 H LEU A 56 8.965 5.243 -1.865 1.00 0.58 H new ATOM 0 HA LEU A 56 8.119 4.732 0.835 1.00 0.59 H new ATOM 0 HB2 LEU A 56 10.018 3.345 -1.124 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.232 2.604 0.256 1.00 0.60 H new ATOM 0 HG LEU A 56 7.819 3.663 -2.186 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.561 1.198 -2.750 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.266 1.703 -2.691 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.557 0.805 -1.329 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.826 2.502 -1.618 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.495 2.183 -0.000 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.245 3.858 -0.545 1.00 1.03 H new ATOM 904 N SER A 57 11.248 5.671 0.252 1.00 0.68 N ATOM 905 CA SER A 57 12.397 6.210 0.911 1.00 0.75 C ATOM 906 C SER A 57 12.116 7.420 1.733 1.00 0.76 C ATOM 907 O SER A 57 12.777 7.581 2.757 1.00 0.84 O ATOM 908 CB SER A 57 13.537 6.667 -0.015 1.00 0.84 C ATOM 909 OG SER A 57 14.123 5.503 -0.579 1.00 1.19 O ATOM 0 H SER A 57 11.311 5.760 -0.762 1.00 0.68 H new ATOM 0 HA SER A 57 12.692 5.349 1.511 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.155 7.322 -0.798 1.00 0.84 H new ATOM 0 HB3 SER A 57 14.279 7.237 0.544 1.00 0.84 H new ATOM 0 HG SER A 57 14.854 5.762 -1.178 1.00 1.19 H new ATOM 915 N ASP A 58 11.227 8.354 1.346 1.00 0.75 N ATOM 916 CA ASP A 58 10.663 9.473 2.035 1.00 0.78 C ATOM 917 C ASP A 58 10.015 9.150 3.337 1.00 0.77 C ATOM 918 O ASP A 58 10.410 9.682 4.372 1.00 0.86 O ATOM 919 CB ASP A 58 9.632 10.290 1.237 1.00 0.83 C ATOM 920 CG ASP A 58 10.224 10.900 -0.026 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.117 11.778 0.109 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.725 10.562 -1.132 1.00 1.90 O ATOM 0 H ASP A 58 10.850 8.310 0.399 1.00 0.75 H new ATOM 0 HA ASP A 58 11.563 10.066 2.195 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.794 9.648 0.968 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.235 11.084 1.869 1.00 0.83 H new ATOM 927 N TYR A 59 8.934 8.350 3.277 1.00 0.72 N ATOM 928 CA TYR A 59 8.231 7.812 4.400 1.00 0.73 C ATOM 929 C TYR A 59 9.009 6.888 5.274 1.00 0.76 C ATOM 930 O TYR A 59 8.525 6.507 6.338 1.00 0.89 O ATOM 931 CB TYR A 59 6.945 7.049 4.039 1.00 0.73 C ATOM 932 CG TYR A 59 5.776 7.942 3.805 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.102 8.511 4.859 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.361 8.298 2.543 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.090 9.439 4.784 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.356 9.224 2.386 1.00 0.70 C ATOM 937 CZ TYR A 59 3.698 9.706 3.493 1.00 0.74 C ATOM 938 OH TYR A 59 2.545 10.513 3.387 1.00 0.86 O ATOM 0 H TYR A 59 8.527 8.062 2.387 1.00 0.72 H new ATOM 0 HA TYR A 59 8.010 8.733 4.940 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.123 6.453 3.144 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.706 6.353 4.843 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.398 8.197 5.849 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.824 7.851 1.676 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.648 9.910 5.650 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.085 9.570 1.399 1.00 0.70 H new ATOM 0 HH TYR A 59 2.495 11.115 4.158 1.00 0.86 H new ATOM 948 N ASN A 60 10.170 6.418 4.787 1.00 0.74 N ATOM 949 CA ASN A 60 11.008 5.537 5.539 1.00 0.79 C ATOM 950 C ASN A 60 10.555 4.118 5.569 1.00 0.75 C ATOM 951 O ASN A 60 10.687 3.516 6.634 1.00 0.86 O ATOM 952 CB ASN A 60 11.470 6.089 6.898 1.00 0.95 C ATOM 953 CG ASN A 60 12.445 7.176 6.468 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.288 8.388 6.608 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.616 6.778 5.904 1.00 1.83 N ATOM 0 H ASN A 60 10.532 6.651 3.862 1.00 0.74 H new ATOM 0 HA ASN A 60 11.925 5.502 4.951 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.641 6.489 7.482 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.951 5.325 7.509 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.308 7.472 5.622 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.802 5.785 5.763 1.00 1.83 H new ATOM 962 N ILE A 61 9.988 3.524 4.503 1.00 0.67 N ATOM 963 CA ILE A 61 9.468 2.193 4.440 1.00 0.65 C ATOM 964 C ILE A 61 10.476 1.253 3.872 1.00 0.66 C ATOM 965 O ILE A 61 11.053 1.529 2.822 1.00 0.75 O ATOM 966 CB ILE A 61 8.186 2.218 3.663 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.053 3.148 4.126 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.688 0.763 3.667 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.918 3.531 3.179 1.00 0.82 C ATOM 0 H ILE A 61 9.886 4.015 3.615 1.00 0.67 H new ATOM 0 HA ILE A 61 9.252 1.822 5.442 1.00 0.65 H new ATOM 0 HB ILE A 61 8.430 2.642 2.689 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.597 2.686 5.001 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.517 4.076 4.461 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.750 0.698 3.116 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.432 0.122 3.194 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.529 0.436 4.694 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.222 4.192 3.694 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.328 4.043 2.308 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.393 2.631 2.857 1.00 0.82 H new ATOM 981 N GLN A 62 10.794 0.159 4.588 1.00 0.67 N ATOM 982 CA GLN A 62 11.848 -0.763 4.301 1.00 0.70 C ATOM 983 C GLN A 62 11.501 -2.027 3.593 1.00 0.62 C ATOM 984 O GLN A 62 10.311 -2.269 3.392 1.00 0.64 O ATOM 985 CB GLN A 62 12.602 -1.018 5.616 1.00 0.85 C ATOM 986 CG GLN A 62 13.037 0.326 6.207 1.00 1.27 C ATOM 987 CD GLN A 62 13.916 0.078 7.425 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.279 -0.091 8.464 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.245 -0.102 7.202 1.00 2.16 N ATOM 0 H GLN A 62 10.276 -0.098 5.428 1.00 0.67 H new ATOM 0 HA GLN A 62 12.471 -0.283 3.546 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.962 -1.550 6.320 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.472 -1.650 5.435 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.583 0.905 5.462 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.163 0.913 6.488 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.636 0.080 6.278 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.851 -0.419 7.959 1.00 2.16 H new ATOM 998 N LYS A 63 12.496 -2.892 3.327 1.00 0.64 N ATOM 999 CA LYS A 63 12.163 -4.195 2.840 1.00 0.62 C ATOM 1000 C LYS A 63 11.433 -4.946 3.900 1.00 0.59 C ATOM 1001 O LYS A 63 11.753 -4.776 5.075 1.00 0.66 O ATOM 1002 CB LYS A 63 13.248 -5.060 2.178 1.00 0.74 C ATOM 1003 CG LYS A 63 14.415 -5.325 3.131 1.00 0.89 C ATOM 1004 CD LYS A 63 15.366 -6.394 2.587 1.00 1.11 C ATOM 1005 CE LYS A 63 16.690 -6.604 3.321 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.425 -7.195 4.652 1.00 2.12 N ATOM 0 H LYS A 63 13.492 -2.702 3.443 1.00 0.64 H new ATOM 0 HA LYS A 63 11.538 -3.978 1.974 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.815 -6.008 1.860 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.616 -4.561 1.281 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.966 -4.399 3.296 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.028 -5.642 4.099 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.833 -7.345 2.578 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.593 -6.146 1.550 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.339 -7.261 2.742 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.213 -5.654 3.430 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.325 -7.339 5.153 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.820 -6.553 5.203 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.943 -8.109 4.536 1.00 2.12 H new ATOM 1020 N GLU A 64 10.485 -5.786 3.448 1.00 0.57 N ATOM 1021 CA GLU A 64 9.811 -6.706 4.312 1.00 0.58 C ATOM 1022 C GLU A 64 8.886 -6.039 5.270 1.00 0.56 C ATOM 1023 O GLU A 64 8.458 -6.607 6.275 1.00 0.70 O ATOM 1024 CB GLU A 64 10.715 -7.758 4.977 1.00 0.72 C ATOM 1025 CG GLU A 64 11.712 -8.410 4.018 1.00 0.96 C ATOM 1026 CD GLU A 64 12.276 -9.768 4.410 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.974 -10.121 5.581 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.941 -10.449 3.583 1.00 1.69 O ATOM 0 H GLU A 64 10.183 -5.828 2.475 1.00 0.57 H new ATOM 0 HA GLU A 64 9.184 -7.289 3.637 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.264 -7.288 5.793 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.090 -8.534 5.419 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.227 -8.514 3.048 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.548 -7.724 3.884 1.00 0.96 H new ATOM 1035 N SER A 65 8.445 -4.795 5.011 1.00 0.51 N ATOM 1036 CA SER A 65 7.554 -4.015 5.814 1.00 0.51 C ATOM 1037 C SER A 65 6.131 -4.300 5.474 1.00 0.43 C ATOM 1038 O SER A 65 5.786 -4.659 4.351 1.00 0.50 O ATOM 1039 CB SER A 65 7.753 -2.517 5.524 1.00 0.65 C ATOM 1040 OG SER A 65 9.089 -2.202 5.884 1.00 1.04 O ATOM 0 H SER A 65 8.736 -4.295 4.171 1.00 0.51 H new ATOM 0 HA SER A 65 7.769 -4.267 6.852 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.576 -2.301 4.471 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.047 -1.916 6.096 1.00 0.65 H new ATOM 0 HG SER A 65 9.647 -2.176 5.079 1.00 1.04 H new ATOM 1046 N THR A 66 5.307 -4.182 6.531 1.00 0.45 N ATOM 1047 CA THR A 66 3.909 -4.467 6.436 1.00 0.45 C ATOM 1048 C THR A 66 3.008 -3.320 6.131 1.00 0.43 C ATOM 1049 O THR A 66 2.635 -2.490 6.958 1.00 0.58 O ATOM 1050 CB THR A 66 3.374 -5.182 7.641 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.096 -6.354 7.992 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.977 -5.794 7.441 1.00 0.78 C ATOM 0 H THR A 66 5.613 -3.887 7.458 1.00 0.45 H new ATOM 0 HA THR A 66 3.888 -5.115 5.560 1.00 0.45 H new ATOM 0 HB THR A 66 3.420 -4.381 8.378 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.691 -6.763 8.785 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.663 -6.292 8.358 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.266 -5.005 7.195 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.010 -6.519 6.628 1.00 0.78 H new ATOM 1060 N LEU A 67 2.567 -3.084 4.882 1.00 0.38 N ATOM 1061 CA LEU A 67 1.579 -2.108 4.542 1.00 0.38 C ATOM 1062 C LEU A 67 0.179 -2.596 4.687 1.00 0.37 C ATOM 1063 O LEU A 67 -0.093 -3.774 4.464 1.00 0.50 O ATOM 1064 CB LEU A 67 1.755 -1.464 3.157 1.00 0.46 C ATOM 1065 CG LEU A 67 3.178 -1.300 2.596 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.952 -0.501 1.303 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.171 -0.632 3.562 1.00 1.31 C ATOM 0 H LEU A 67 2.916 -3.597 4.073 1.00 0.38 H new ATOM 0 HA LEU A 67 1.756 -1.331 5.286 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.184 -2.056 2.442 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.297 -0.476 3.191 1.00 0.46 H new ATOM 0 HG LEU A 67 3.662 -2.262 2.424 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.909 -0.323 0.813 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.302 -1.066 0.635 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.484 0.454 1.542 1.00 1.40 H new ATOM 0 HD21 LEU A 67 5.148 -0.557 3.085 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.814 0.366 3.818 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.255 -1.231 4.469 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.802 -1.766 5.086 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.140 -2.212 5.317 1.00 0.37 C ATOM 1081 C HIS A 68 -3.065 -1.539 4.364 1.00 0.35 C ATOM 1082 O HIS A 68 -3.130 -0.311 4.349 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.589 -1.979 6.770 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.732 -2.575 7.846 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.451 -2.161 8.152 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.941 -3.687 8.601 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.062 -3.079 9.014 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.805 -4.031 9.304 1.00 1.51 N ATOM 0 H HIS A 68 -0.663 -0.769 5.251 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.167 -3.289 5.149 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.648 -0.904 6.939 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.598 -2.375 6.881 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.874 -4.229 8.644 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.064 -3.034 9.415 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.666 -4.839 9.911 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.752 -2.343 3.533 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.731 -2.019 2.542 1.00 0.38 C ATOM 1098 C LEU A 69 -6.073 -1.910 3.181 1.00 0.41 C ATOM 1099 O LEU A 69 -6.754 -2.880 3.507 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.686 -3.077 1.427 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.796 -2.912 0.377 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.553 -1.615 -0.414 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.588 -4.115 -0.558 1.00 1.14 C ATOM 0 H LEU A 69 -3.597 -3.351 3.564 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.517 -1.052 2.086 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.717 -3.028 0.930 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.765 -4.068 1.874 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.796 -2.866 0.809 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.337 -1.492 -1.161 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.565 -0.765 0.268 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.584 -1.668 -0.911 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.335 -4.093 -1.351 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.592 -4.067 -0.997 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.689 -5.039 0.010 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.513 -0.657 3.390 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.795 -0.180 3.808 1.00 0.56 C ATOM 1117 C VAL A 70 -8.570 0.143 2.577 1.00 0.55 C ATOM 1118 O VAL A 70 -8.119 0.806 1.644 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.744 0.823 4.922 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.120 1.395 5.304 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.175 0.206 6.210 1.00 0.97 C ATOM 0 H VAL A 70 -5.877 0.127 3.244 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.366 -0.948 4.331 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.109 1.618 4.531 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.003 2.113 6.116 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.560 1.893 4.440 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.774 0.585 5.627 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.153 0.961 6.996 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.805 -0.626 6.524 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.163 -0.155 6.025 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.820 -0.337 2.449 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.661 -0.077 1.323 1.00 0.84 C ATOM 1133 C LEU A 71 -11.620 1.004 1.686 1.00 0.85 C ATOM 1134 O LEU A 71 -12.119 0.989 2.810 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.316 -1.300 0.660 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.227 -2.208 0.065 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.841 -3.574 -0.288 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.365 -1.603 -1.057 1.00 2.78 C ATOM 0 H LEU A 71 -10.260 -0.927 3.155 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.013 0.262 0.515 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.904 -1.852 1.393 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.003 -0.978 -0.123 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.479 -2.339 0.847 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.072 -4.221 -0.710 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.247 -4.034 0.613 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.640 -3.436 -1.017 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.635 -2.340 -1.393 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.004 -1.318 -1.893 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.845 -0.722 -0.681 1.00 2.78 H new