USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 180:sc= 0.00348 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.064 K(o=-0.06,f=-2.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.0123 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 153:sc= 1.25 (180deg=-0.0263) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0343 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.25 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc=-0.00193 K(o=-0.0019,f=-0.94) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 0.396 (180deg=0.0842) USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.346 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= 0.566 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.029) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.0413 K(o=0.041,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.681 K(o=0.68,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 57 SER OG : rot 72:sc= 0.1 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.187 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0432 K(o=-0.043,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -157:sc= 0.128 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0617 K(o=0.062,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.091 -7.558 -4.823 1.00 9.67 N ATOM 2 CA MET A 1 11.838 -7.923 -3.452 1.00 10.38 C ATOM 3 C MET A 1 10.329 -8.259 -3.105 1.00 9.62 C ATOM 4 O MET A 1 9.385 -8.124 -3.938 1.00 9.62 O ATOM 5 CB MET A 1 12.446 -6.837 -2.496 1.00 13.77 C ATOM 6 CG MET A 1 11.752 -5.487 -2.603 1.00 16.29 C ATOM 7 SD MET A 1 12.512 -4.387 -1.353 1.00 17.17 S ATOM 8 CE MET A 1 11.110 -3.174 -1.413 1.00 16.11 C ATOM 0 H1 MET A 1 12.938 -6.956 -4.871 1.00 9.67 H new ATOM 0 H2 MET A 1 12.244 -8.417 -5.388 1.00 9.67 H new ATOM 0 H3 MET A 1 11.274 -7.036 -5.200 1.00 9.67 H new ATOM 0 HA MET A 1 12.344 -8.875 -3.292 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.381 -7.191 -1.467 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.505 -6.713 -2.724 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.871 -5.072 -3.604 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.682 -5.590 -2.425 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.447 -2.209 -1.035 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.770 -3.061 -2.443 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.288 -3.538 -0.797 1.00 16.11 H new ATOM 20 N GLN A 2 10.026 -8.816 -1.890 1.00 9.27 N ATOM 21 CA GLN A 2 8.705 -9.188 -1.461 1.00 9.07 C ATOM 22 C GLN A 2 8.358 -8.377 -0.269 1.00 8.72 C ATOM 23 O GLN A 2 9.201 -8.251 0.602 1.00 8.22 O ATOM 24 CB GLN A 2 8.627 -10.689 -0.973 1.00 14.46 C ATOM 25 CG GLN A 2 9.280 -11.679 -1.906 1.00 17.01 C ATOM 26 CD GLN A 2 8.614 -11.828 -3.310 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.414 -11.926 -3.470 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.467 -11.676 -4.331 1.00 19.49 N ATOM 0 H GLN A 2 10.739 -9.010 -1.187 1.00 9.27 H new ATOM 0 HA GLN A 2 8.041 -9.037 -2.312 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.098 -10.765 0.007 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.580 -10.964 -0.845 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.320 -11.385 -2.047 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.287 -12.656 -1.422 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.468 -11.598 -4.152 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.116 -11.639 -5.288 1.00 19.49 H new ATOM 37 N ILE A 3 7.094 -7.824 -0.161 1.00 5.87 N ATOM 38 CA ILE A 3 6.544 -7.022 0.945 1.00 5.07 C ATOM 39 C ILE A 3 5.221 -7.579 1.338 1.00 4.01 C ATOM 40 O ILE A 3 4.598 -8.299 0.571 1.00 4.61 O ATOM 41 CB ILE A 3 6.412 -5.523 0.774 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.387 -5.192 -0.366 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.732 -4.923 0.439 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.944 -3.727 -0.302 1.00 10.83 C ATOM 0 H ILE A 3 6.408 -7.949 -0.905 1.00 5.87 H new ATOM 0 HA ILE A 3 7.314 -7.113 1.711 1.00 5.07 H new ATOM 0 HB ILE A 3 6.053 -5.103 1.713 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.839 -5.396 -1.336 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.517 -5.842 -0.277 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.622 -3.845 0.319 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.439 -5.128 1.242 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.103 -5.355 -0.490 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.234 -3.526 -1.104 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.470 -3.532 0.660 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.813 -3.079 -0.416 1.00 10.83 H new ATOM 56 N PHE A 4 4.762 -7.204 2.573 1.00 4.55 N ATOM 57 CA PHE A 4 3.490 -7.592 3.060 1.00 4.68 C ATOM 58 C PHE A 4 2.543 -6.441 3.110 1.00 5.30 C ATOM 59 O PHE A 4 2.887 -5.276 3.366 1.00 5.58 O ATOM 60 CB PHE A 4 3.512 -8.204 4.515 1.00 4.83 C ATOM 61 CG PHE A 4 4.401 -9.436 4.547 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.108 -10.564 3.707 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.493 -9.475 5.425 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.093 -11.635 3.650 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.357 -10.578 5.460 1.00 10.61 C ATOM 66 CZ PHE A 4 6.155 -11.596 4.533 1.00 8.90 C ATOM 0 H PHE A 4 5.297 -6.626 3.221 1.00 4.55 H new ATOM 0 HA PHE A 4 3.169 -8.355 2.351 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.878 -7.462 5.225 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.500 -8.467 4.823 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.191 -10.616 3.139 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.672 -8.640 6.086 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.996 -12.439 2.936 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.156 -10.636 6.185 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.871 -12.404 4.502 1.00 8.90 H new ATOM 76 N VAL A 5 1.279 -6.782 2.883 1.00 4.44 N ATOM 77 CA VAL A 5 0.178 -5.883 3.109 1.00 3.87 C ATOM 78 C VAL A 5 -0.788 -6.588 4.087 1.00 4.93 C ATOM 79 O VAL A 5 -1.230 -7.707 3.945 1.00 6.84 O ATOM 80 CB VAL A 5 -0.589 -5.483 1.839 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.389 -4.176 2.146 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.363 -5.257 0.632 1.00 9.13 C ATOM 0 H VAL A 5 0.999 -7.699 2.535 1.00 4.44 H new ATOM 0 HA VAL A 5 0.585 -4.953 3.506 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.263 -6.294 1.562 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.943 -3.871 1.258 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.086 -4.360 2.963 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.696 -3.384 2.431 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.221 -4.976 -0.244 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.068 -4.460 0.869 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.911 -6.176 0.424 1.00 9.13 H new ATOM 92 N LYS A 6 -1.163 -5.922 5.177 1.00 6.04 N ATOM 93 CA LYS A 6 -2.177 -6.496 6.111 1.00 6.12 C ATOM 94 C LYS A 6 -3.409 -5.720 6.106 1.00 6.57 C ATOM 95 O LYS A 6 -3.472 -4.539 6.397 1.00 5.76 O ATOM 96 CB LYS A 6 -1.637 -6.513 7.504 1.00 7.45 C ATOM 97 CG LYS A 6 -0.557 -7.602 7.663 1.00 11.12 C ATOM 98 CD LYS A 6 -0.401 -8.168 9.080 1.00 14.54 C ATOM 99 CE LYS A 6 0.799 -9.111 9.262 1.00 18.84 C ATOM 100 NZ LYS A 6 0.491 -10.511 8.900 1.00 20.55 N ATOM 0 H LYS A 6 -0.802 -5.007 5.446 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.394 -7.509 5.772 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.214 -5.538 7.746 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.447 -6.693 8.210 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.790 -8.423 6.985 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.401 -7.189 7.347 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.304 -7.338 9.780 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.312 -8.705 9.345 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.629 -8.757 8.650 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.130 -9.074 10.300 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.363 -10.991 8.599 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.092 -11.003 9.725 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.199 -10.525 8.122 1.00 20.55 H new ATOM 114 N THR A 7 -4.485 -6.482 5.829 1.00 7.41 N ATOM 115 CA THR A 7 -5.857 -5.913 6.030 1.00 7.48 C ATOM 116 C THR A 7 -6.331 -6.065 7.460 1.00 8.75 C ATOM 117 O THR A 7 -5.845 -6.826 8.266 1.00 8.58 O ATOM 118 CB THR A 7 -7.004 -6.442 5.158 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.531 -7.700 5.559 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.519 -6.680 3.773 1.00 9.17 C ATOM 0 H THR A 7 -4.453 -7.441 5.484 1.00 7.41 H new ATOM 0 HA THR A 7 -5.676 -4.882 5.727 1.00 7.48 H new ATOM 0 HB THR A 7 -7.774 -5.675 5.247 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.256 -7.960 4.952 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.338 -7.055 3.160 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.149 -5.745 3.351 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.713 -7.414 3.791 1.00 9.17 H new ATOM 128 N LEU A 8 -7.355 -5.265 7.826 1.00 9.84 N ATOM 129 CA LEU A 8 -7.932 -5.222 9.142 1.00 14.15 C ATOM 130 C LEU A 8 -8.643 -6.519 9.456 1.00 17.37 C ATOM 131 O LEU A 8 -8.613 -7.001 10.539 1.00 17.01 O ATOM 132 CB LEU A 8 -9.006 -4.095 9.241 1.00 16.63 C ATOM 133 CG LEU A 8 -8.367 -2.658 9.139 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.404 -1.577 9.099 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.276 -2.389 10.154 1.00 18.59 C ATOM 0 H LEU A 8 -7.801 -4.619 7.175 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.113 -5.043 9.839 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.740 -4.223 8.445 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.542 -4.187 10.186 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.855 -2.641 8.177 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.914 -0.606 9.029 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.048 -1.722 8.232 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.005 -1.615 10.008 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.890 -1.379 10.015 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.683 -2.486 11.160 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.468 -3.108 10.019 1.00 18.59 H new ATOM 147 N THR A 9 -9.292 -7.194 8.473 1.00 18.33 N ATOM 148 CA THR A 9 -10.204 -8.315 8.725 1.00 19.24 C ATOM 149 C THR A 9 -9.512 -9.638 8.749 1.00 19.48 C ATOM 150 O THR A 9 -10.180 -10.670 8.538 1.00 23.14 O ATOM 151 CB THR A 9 -11.364 -8.369 7.751 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.858 -8.438 6.470 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.246 -7.074 7.894 1.00 19.70 C ATOM 0 H THR A 9 -9.190 -6.967 7.484 1.00 18.33 H new ATOM 0 HA THR A 9 -10.603 -8.119 9.720 1.00 19.24 H new ATOM 0 HB THR A 9 -11.981 -9.242 7.962 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.597 -8.475 5.828 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.077 -7.121 7.191 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.634 -7.008 8.911 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.639 -6.195 7.680 1.00 19.70 H new ATOM 161 N GLY A 10 -8.161 -9.615 8.990 1.00 19.43 N ATOM 162 CA GLY A 10 -7.333 -10.746 9.289 1.00 18.74 C ATOM 163 C GLY A 10 -6.618 -11.287 8.087 1.00 17.62 C ATOM 164 O GLY A 10 -6.189 -12.446 8.052 1.00 19.74 O ATOM 0 H GLY A 10 -7.631 -8.744 8.971 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.599 -10.462 10.043 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.948 -11.534 9.723 1.00 18.74 H new ATOM 168 N LYS A 11 -6.690 -10.617 6.919 1.00 13.56 N ATOM 169 CA LYS A 11 -6.058 -11.163 5.721 1.00 11.91 C ATOM 170 C LYS A 11 -4.660 -10.526 5.558 1.00 10.18 C ATOM 171 O LYS A 11 -4.430 -9.306 5.838 1.00 9.10 O ATOM 172 CB LYS A 11 -6.951 -10.894 4.431 1.00 13.43 C ATOM 173 CG LYS A 11 -6.351 -11.567 3.188 1.00 16.69 C ATOM 174 CD LYS A 11 -7.363 -11.606 2.023 1.00 17.92 C ATOM 175 CE LYS A 11 -6.936 -12.529 0.886 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.984 -12.606 -0.131 1.00 21.93 N ATOM 0 H LYS A 11 -7.166 -9.724 6.789 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.958 -12.243 5.829 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.960 -11.270 4.600 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.035 -9.821 4.261 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.457 -11.027 2.877 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.041 -12.582 3.436 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.331 -11.932 2.402 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.497 -10.597 1.633 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.013 -12.161 0.438 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.726 -13.525 1.277 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.206 -13.603 -0.326 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.838 -12.122 0.213 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.655 -12.147 -1.004 1.00 21.93 H new ATOM 190 N THR A 12 -3.671 -11.331 5.145 1.00 9.63 N ATOM 191 CA THR A 12 -2.363 -10.857 4.821 1.00 9.85 C ATOM 192 C THR A 12 -1.998 -11.261 3.423 1.00 11.66 C ATOM 193 O THR A 12 -1.998 -12.399 2.996 1.00 12.33 O ATOM 194 CB THR A 12 -1.318 -11.540 5.734 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.498 -11.137 7.114 1.00 10.91 O ATOM 196 CG2 THR A 12 0.077 -11.121 5.323 1.00 9.63 C ATOM 0 H THR A 12 -3.782 -12.339 5.033 1.00 9.63 H new ATOM 0 HA THR A 12 -2.366 -9.774 4.940 1.00 9.85 H new ATOM 0 HB THR A 12 -1.450 -12.618 5.636 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.367 -11.911 7.701 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.808 -11.606 5.970 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.256 -11.416 4.289 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.173 -10.039 5.413 1.00 9.63 H new ATOM 204 N ILE A 13 -1.459 -10.275 2.706 1.00 10.42 N ATOM 205 CA ILE A 13 -1.135 -10.367 1.305 1.00 11.84 C ATOM 206 C ILE A 13 0.372 -10.240 1.142 1.00 10.55 C ATOM 207 O ILE A 13 0.956 -9.360 1.784 1.00 11.92 O ATOM 208 CB ILE A 13 -1.954 -9.316 0.541 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.402 -9.305 1.036 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.909 -9.700 -0.952 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.340 -8.382 0.207 1.00 16.46 C ATOM 0 H ILE A 13 -1.233 -9.366 3.109 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.405 -11.333 0.878 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.541 -8.320 0.699 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.793 -10.322 1.011 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.418 -8.983 2.077 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.481 -8.975 -1.531 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.875 -9.704 -1.296 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.339 -10.692 -1.086 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.349 -8.426 0.617 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.974 -7.356 0.253 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.355 -8.716 -0.830 1.00 16.46 H new ATOM 223 N THR A 14 1.027 -11.035 0.242 1.00 9.39 N ATOM 224 CA THR A 14 2.409 -10.701 -0.174 1.00 9.63 C ATOM 225 C THR A 14 2.520 -10.130 -1.592 1.00 11.20 C ATOM 226 O THR A 14 1.813 -10.645 -2.459 1.00 11.63 O ATOM 227 CB THR A 14 3.340 -11.922 -0.223 1.00 10.38 C ATOM 228 OG1 THR A 14 3.263 -12.627 0.987 1.00 16.30 O ATOM 229 CG2 THR A 14 4.825 -11.612 -0.378 1.00 11.66 C ATOM 0 H THR A 14 0.635 -11.873 -0.188 1.00 9.39 H new ATOM 0 HA THR A 14 2.695 -9.973 0.586 1.00 9.63 H new ATOM 0 HB THR A 14 2.994 -12.470 -1.100 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.595 -12.063 1.716 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.391 -12.543 -0.401 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.988 -11.065 -1.307 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.160 -11.005 0.463 1.00 11.66 H new ATOM 237 N LEU A 15 3.346 -9.044 -1.842 1.00 8.29 N ATOM 238 CA LEU A 15 3.411 -8.391 -3.124 1.00 9.03 C ATOM 239 C LEU A 15 4.837 -8.485 -3.650 1.00 8.59 C ATOM 240 O LEU A 15 5.791 -8.010 -3.046 1.00 7.79 O ATOM 241 CB LEU A 15 2.962 -6.877 -3.108 1.00 11.08 C ATOM 242 CG LEU A 15 1.481 -6.648 -2.641 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.305 -5.064 -2.808 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.407 -7.433 -3.407 1.00 15.27 C ATOM 0 H LEU A 15 3.961 -8.635 -1.139 1.00 8.29 H new ATOM 0 HA LEU A 15 2.703 -8.908 -3.771 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.629 -6.319 -2.450 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.083 -6.464 -4.109 1.00 11.08 H new ATOM 0 HG LEU A 15 1.330 -7.021 -1.628 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.297 -4.776 -2.509 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.031 -4.549 -2.179 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.467 -4.788 -3.850 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.576 -7.197 -3.000 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.438 -7.158 -4.461 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.595 -8.502 -3.305 1.00 15.27 H new ATOM 256 N GLU A 16 5.006 -8.926 -4.901 1.00 11.04 N ATOM 257 CA GLU A 16 6.228 -8.707 -5.653 1.00 11.50 C ATOM 258 C GLU A 16 6.421 -7.247 -6.011 1.00 10.13 C ATOM 259 O GLU A 16 5.641 -6.684 -6.803 1.00 9.83 O ATOM 260 CB GLU A 16 6.245 -9.434 -6.975 1.00 17.22 C ATOM 261 CG GLU A 16 6.133 -10.975 -6.824 1.00 23.33 C ATOM 262 CD GLU A 16 6.278 -11.731 -8.168 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.386 -11.636 -8.729 1.00 28.90 O ATOM 264 OE2 GLU A 16 5.335 -12.377 -8.644 1.00 28.86 O ATOM 0 H GLU A 16 4.293 -9.445 -5.414 1.00 11.04 H new ATOM 0 HA GLU A 16 7.012 -9.075 -4.991 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.421 -9.074 -7.591 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.167 -9.193 -7.504 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.902 -11.323 -6.134 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.169 -11.221 -6.378 1.00 23.33 H new ATOM 271 N VAL A 17 7.455 -6.584 -5.435 1.00 8.99 N ATOM 272 CA VAL A 17 7.741 -5.225 -5.558 1.00 8.85 C ATOM 273 C VAL A 17 9.227 -5.054 -5.610 1.00 8.04 C ATOM 274 O VAL A 17 10.048 -5.935 -5.254 1.00 8.99 O ATOM 275 CB VAL A 17 7.100 -4.405 -4.428 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.534 -4.349 -4.642 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.595 -4.974 -3.095 1.00 10.54 C ATOM 0 H VAL A 17 8.129 -7.065 -4.840 1.00 8.99 H new ATOM 0 HA VAL A 17 7.307 -4.842 -6.482 1.00 8.85 H new ATOM 0 HB VAL A 17 7.401 -3.357 -4.427 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.078 -3.767 -3.841 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.314 -3.880 -5.601 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.129 -5.361 -4.632 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.155 -4.410 -2.273 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.302 -6.021 -3.015 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.681 -4.897 -3.047 1.00 10.54 H new ATOM 287 N GLU A 18 9.640 -3.871 -6.112 1.00 7.29 N ATOM 288 CA GLU A 18 11.029 -3.460 -6.203 1.00 7.08 C ATOM 289 C GLU A 18 11.131 -2.046 -5.752 1.00 6.45 C ATOM 290 O GLU A 18 10.118 -1.370 -5.598 1.00 5.28 O ATOM 291 CB GLU A 18 11.613 -3.718 -7.649 1.00 10.28 C ATOM 292 CG GLU A 18 10.800 -2.833 -8.655 1.00 12.65 C ATOM 293 CD GLU A 18 11.094 -2.935 -10.183 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.765 -3.893 -10.659 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.683 -1.989 -10.921 1.00 14.33 O ATOM 0 H GLU A 18 8.991 -3.170 -6.469 1.00 7.29 H new ATOM 0 HA GLU A 18 11.652 -4.065 -5.544 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.672 -3.463 -7.685 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.530 -4.772 -7.913 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.744 -3.061 -8.510 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.944 -1.792 -8.364 1.00 12.65 H new ATOM 302 N PRO A 19 12.398 -1.535 -5.403 1.00 7.24 N ATOM 303 CA PRO A 19 12.451 -0.392 -4.538 1.00 7.07 C ATOM 304 C PRO A 19 11.963 0.904 -5.180 1.00 6.65 C ATOM 305 O PRO A 19 11.605 1.864 -4.525 1.00 6.37 O ATOM 306 CB PRO A 19 13.947 -0.243 -4.186 1.00 7.61 C ATOM 307 CG PRO A 19 14.518 -1.656 -4.150 1.00 8.16 C ATOM 308 CD PRO A 19 13.570 -2.364 -5.196 1.00 7.49 C ATOM 0 HA PRO A 19 11.793 -0.552 -3.683 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.463 0.366 -4.928 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.073 0.252 -3.223 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.566 -1.689 -4.448 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.454 -2.106 -3.159 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.096 -2.516 -6.139 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.276 -3.349 -4.832 1.00 7.49 H new ATOM 316 N SER A 20 11.910 1.070 -6.520 1.00 6.80 N ATOM 317 CA SER A 20 11.392 2.311 -7.139 1.00 6.28 C ATOM 318 C SER A 20 9.987 2.003 -7.647 1.00 8.45 C ATOM 319 O SER A 20 9.453 2.740 -8.423 1.00 7.26 O ATOM 320 CB SER A 20 12.299 2.832 -8.334 1.00 8.57 C ATOM 321 OG SER A 20 12.832 1.821 -9.165 1.00 11.13 O ATOM 0 H SER A 20 12.217 0.365 -7.190 1.00 6.80 H new ATOM 0 HA SER A 20 11.392 3.106 -6.394 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.709 3.512 -8.948 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.123 3.412 -7.918 1.00 8.57 H new ATOM 0 HG SER A 20 13.374 2.230 -9.872 1.00 11.13 H new ATOM 327 N ASP A 21 9.316 1.020 -7.059 1.00 7.50 N ATOM 328 CA ASP A 21 7.878 0.987 -7.211 1.00 7.70 C ATOM 329 C ASP A 21 7.283 2.120 -6.411 1.00 7.08 C ATOM 330 O ASP A 21 7.861 2.512 -5.434 1.00 8.11 O ATOM 331 CB ASP A 21 7.325 -0.417 -6.878 1.00 11.00 C ATOM 332 CG ASP A 21 7.339 -1.267 -8.022 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.087 -0.951 -9.251 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.561 -2.489 -7.748 1.00 18.03 O ATOM 0 H ASP A 21 9.725 0.271 -6.500 1.00 7.50 H new ATOM 0 HA ASP A 21 7.583 1.152 -8.247 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.921 -0.865 -6.083 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.306 -0.328 -6.501 1.00 11.00 H new ATOM 339 N THR A 22 6.087 2.651 -6.808 1.00 5.37 N ATOM 340 CA THR A 22 5.511 3.769 -6.113 1.00 6.01 C ATOM 341 C THR A 22 4.323 3.251 -5.304 1.00 8.01 C ATOM 342 O THR A 22 3.958 2.113 -5.572 1.00 8.11 O ATOM 343 CB THR A 22 4.956 4.914 -7.011 1.00 8.92 C ATOM 344 OG1 THR A 22 4.105 4.402 -8.042 1.00 10.22 O ATOM 345 CG2 THR A 22 6.073 5.721 -7.658 1.00 9.65 C ATOM 0 H THR A 22 5.537 2.307 -7.595 1.00 5.37 H new ATOM 0 HA THR A 22 6.324 4.193 -5.524 1.00 6.01 H new ATOM 0 HB THR A 22 4.382 5.566 -6.352 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.771 5.144 -8.588 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.642 6.509 -8.276 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.696 6.167 -6.883 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.682 5.065 -8.280 1.00 9.65 H new ATOM 353 N ILE A 23 3.766 4.041 -4.385 1.00 8.32 N ATOM 354 CA ILE A 23 2.519 3.700 -3.655 1.00 9.92 C ATOM 355 C ILE A 23 1.257 3.554 -4.493 1.00 10.01 C ATOM 356 O ILE A 23 0.387 2.718 -4.317 1.00 8.71 O ATOM 357 CB ILE A 23 2.270 4.660 -2.468 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.423 4.794 -1.426 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.930 4.180 -1.759 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.929 3.531 -0.719 1.00 12.30 C ATOM 0 H ILE A 23 4.160 4.943 -4.116 1.00 8.32 H new ATOM 0 HA ILE A 23 2.720 2.693 -3.288 1.00 9.92 H new ATOM 0 HB ILE A 23 2.201 5.665 -2.884 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.273 5.253 -1.931 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.094 5.493 -0.657 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.713 4.831 -0.912 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.106 4.224 -2.471 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.051 3.155 -1.408 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.729 3.797 -0.028 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.110 3.071 -0.166 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.308 2.826 -1.460 1.00 12.30 H new ATOM 372 N GLU A 24 1.208 4.376 -5.558 1.00 9.54 N ATOM 373 CA GLU A 24 0.326 4.156 -6.631 1.00 11.81 C ATOM 374 C GLU A 24 0.429 2.713 -7.223 1.00 11.14 C ATOM 375 O GLU A 24 -0.636 2.099 -7.471 1.00 10.62 O ATOM 376 CB GLU A 24 0.560 5.206 -7.737 1.00 19.24 C ATOM 377 CG GLU A 24 -0.434 5.155 -8.957 1.00 27.76 C ATOM 378 CD GLU A 24 0.172 5.841 -10.159 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.133 7.099 -10.254 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.659 5.110 -11.119 1.00 36.51 O ATOM 0 H GLU A 24 1.796 5.203 -5.663 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.684 4.259 -6.233 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.502 6.197 -7.288 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.575 5.086 -8.115 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.667 4.119 -9.201 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.373 5.639 -8.689 1.00 27.76 H new ATOM 387 N ASN A 25 1.675 2.250 -7.462 1.00 9.43 N ATOM 388 CA ASN A 25 1.823 0.922 -7.930 1.00 10.96 C ATOM 389 C ASN A 25 1.419 -0.136 -6.822 1.00 9.68 C ATOM 390 O ASN A 25 0.814 -1.139 -7.219 1.00 9.33 O ATOM 391 CB ASN A 25 3.245 0.612 -8.398 1.00 16.78 C ATOM 392 CG ASN A 25 3.797 1.488 -9.497 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.026 1.763 -9.534 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.948 1.956 -10.392 1.00 24.70 N ATOM 0 H ASN A 25 2.539 2.777 -7.335 1.00 9.43 H new ATOM 0 HA ASN A 25 1.150 0.842 -8.784 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.911 0.683 -7.538 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.274 -0.423 -8.739 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.281 2.560 -11.143 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.959 1.713 -10.333 1.00 24.70 H new ATOM 401 N VAL A 26 1.604 0.155 -5.497 1.00 6.52 N ATOM 402 CA VAL A 26 1.063 -0.708 -4.424 1.00 5.53 C ATOM 403 C VAL A 26 -0.447 -0.936 -4.447 1.00 4.42 C ATOM 404 O VAL A 26 -0.993 -2.048 -4.400 1.00 3.40 O ATOM 405 CB VAL A 26 1.503 -0.232 -3.023 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.011 -1.276 -1.954 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.025 -0.193 -2.996 1.00 8.12 C ATOM 0 H VAL A 26 2.117 0.970 -5.161 1.00 6.52 H new ATOM 0 HA VAL A 26 1.505 -1.680 -4.643 1.00 5.53 H new ATOM 0 HB VAL A 26 1.086 0.751 -2.805 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.316 -0.950 -0.960 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.076 -1.352 -1.993 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.451 -2.250 -2.167 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.363 0.141 -2.015 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.418 -1.190 -3.195 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.385 0.498 -3.758 1.00 8.12 H new ATOM 417 N LYS A 27 -1.142 0.188 -4.632 1.00 2.64 N ATOM 418 CA LYS A 27 -2.566 0.236 -4.843 1.00 4.14 C ATOM 419 C LYS A 27 -2.976 -0.459 -6.144 1.00 5.58 C ATOM 420 O LYS A 27 -3.981 -1.100 -6.135 1.00 4.11 O ATOM 421 CB LYS A 27 -3.128 1.705 -4.829 1.00 3.97 C ATOM 422 CG LYS A 27 -2.948 2.369 -3.463 1.00 7.45 C ATOM 423 CD LYS A 27 -3.311 3.868 -3.445 1.00 9.02 C ATOM 424 CE LYS A 27 -3.283 4.358 -1.970 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.568 5.787 -1.948 1.00 15.47 N ATOM 0 H LYS A 27 -0.705 1.110 -4.637 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.005 -0.304 -4.004 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.619 2.296 -5.590 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.186 1.692 -5.090 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.565 1.847 -2.732 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.911 2.252 -3.147 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.604 4.437 -4.048 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.299 4.025 -3.879 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.020 3.816 -1.378 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.308 4.160 -1.524 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.519 6.136 -0.969 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.868 6.290 -2.530 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.521 5.957 -2.329 1.00 15.47 H new ATOM 439 N ALA A 28 -2.244 -0.290 -7.273 1.00 6.61 N ATOM 440 CA ALA A 28 -2.600 -0.938 -8.487 1.00 7.74 C ATOM 441 C ALA A 28 -2.489 -2.497 -8.398 1.00 9.17 C ATOM 442 O ALA A 28 -3.356 -3.219 -8.914 1.00 11.45 O ATOM 443 CB ALA A 28 -1.857 -0.316 -9.656 1.00 7.68 C ATOM 0 H ALA A 28 -1.411 0.295 -7.333 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.661 -0.767 -8.672 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.140 -0.823 -10.578 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.114 0.741 -9.729 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.783 -0.419 -9.501 1.00 7.68 H new ATOM 449 N LYS A 29 -1.403 -2.947 -7.697 1.00 8.96 N ATOM 450 CA LYS A 29 -1.175 -4.395 -7.413 1.00 7.90 C ATOM 451 C LYS A 29 -2.205 -4.913 -6.500 1.00 6.92 C ATOM 452 O LYS A 29 -2.663 -6.071 -6.606 1.00 6.87 O ATOM 453 CB LYS A 29 0.301 -4.610 -6.950 1.00 10.28 C ATOM 454 CG LYS A 29 0.852 -6.033 -7.279 1.00 14.94 C ATOM 455 CD LYS A 29 2.369 -6.084 -7.583 1.00 19.69 C ATOM 456 CE LYS A 29 2.712 -5.628 -9.019 1.00 22.63 C ATOM 457 NZ LYS A 29 4.178 -5.689 -9.254 1.00 24.98 N ATOM 0 H LYS A 29 -0.680 -2.332 -7.323 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.289 -4.992 -8.318 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.936 -3.863 -7.427 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.365 -4.443 -5.875 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.641 -6.693 -6.437 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.310 -6.428 -8.138 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.898 -5.451 -6.870 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.730 -7.102 -7.435 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.197 -6.262 -9.740 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.355 -4.610 -9.178 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.531 -4.741 -9.494 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.654 -6.028 -8.394 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.377 -6.341 -10.039 1.00 24.98 H new ATOM 471 N ILE A 30 -2.664 -4.140 -5.486 1.00 4.57 N ATOM 472 CA ILE A 30 -3.765 -4.590 -4.573 1.00 5.58 C ATOM 473 C ILE A 30 -5.161 -4.560 -5.276 1.00 7.26 C ATOM 474 O ILE A 30 -6.079 -5.384 -5.068 1.00 9.46 O ATOM 475 CB ILE A 30 -3.795 -3.850 -3.224 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.594 -4.339 -2.341 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.159 -3.845 -2.509 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.725 -5.782 -1.737 1.00 2.00 C ATOM 0 H ILE A 30 -2.300 -3.211 -5.274 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.534 -5.629 -4.337 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.660 -2.788 -3.427 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.687 -4.300 -2.944 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.462 -3.634 -1.520 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.075 -3.299 -1.569 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.901 -3.361 -3.144 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.468 -4.871 -2.307 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.838 -6.011 -1.147 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.608 -5.831 -1.099 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.820 -6.507 -2.545 1.00 2.00 H new ATOM 490 N GLN A 31 -5.391 -3.578 -6.153 1.00 7.06 N ATOM 491 CA GLN A 31 -6.585 -3.547 -6.932 1.00 8.67 C ATOM 492 C GLN A 31 -6.707 -4.764 -7.877 1.00 10.90 C ATOM 493 O GLN A 31 -7.771 -5.335 -8.055 1.00 9.63 O ATOM 494 CB GLN A 31 -6.619 -2.301 -7.946 1.00 9.12 C ATOM 495 CG GLN A 31 -7.956 -2.186 -8.741 1.00 10.76 C ATOM 496 CD GLN A 31 -7.850 -1.078 -9.822 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.762 -0.647 -10.179 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.031 -0.703 -10.369 1.00 14.76 N ATOM 0 H GLN A 31 -4.751 -2.803 -6.325 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.377 -3.511 -6.184 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.458 -1.381 -7.385 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.793 -2.393 -8.651 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.190 -3.141 -9.212 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.774 -1.959 -8.058 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.903 -1.103 -10.023 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.048 -0.021 -11.127 1.00 14.76 H new ATOM 507 N ASP A 32 -5.637 -5.202 -8.517 1.00 10.93 N ATOM 508 CA ASP A 32 -5.411 -6.393 -9.237 1.00 14.01 C ATOM 509 C ASP A 32 -5.756 -7.672 -8.432 1.00 14.04 C ATOM 510 O ASP A 32 -6.475 -8.567 -8.876 1.00 13.39 O ATOM 511 CB ASP A 32 -3.928 -6.392 -9.696 1.00 18.01 C ATOM 512 CG ASP A 32 -3.626 -7.362 -10.865 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.107 -7.241 -12.017 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.814 -8.277 -10.604 1.00 26.29 O ATOM 0 H ASP A 32 -4.796 -4.624 -8.529 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.081 -6.417 -10.096 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.653 -5.381 -9.997 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.296 -6.655 -8.848 1.00 18.01 H new ATOM 519 N LYS A 33 -5.212 -7.866 -7.218 1.00 14.22 N ATOM 520 CA LYS A 33 -5.567 -8.959 -6.334 1.00 14.00 C ATOM 521 C LYS A 33 -7.011 -8.960 -5.881 1.00 12.37 C ATOM 522 O LYS A 33 -7.738 -9.939 -6.108 1.00 12.17 O ATOM 523 CB LYS A 33 -4.607 -9.016 -5.159 1.00 18.62 C ATOM 524 CG LYS A 33 -3.223 -9.655 -5.538 1.00 24.00 C ATOM 525 CD LYS A 33 -2.449 -10.058 -4.224 1.00 27.61 C ATOM 526 CE LYS A 33 -0.998 -10.564 -4.511 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.071 -11.806 -5.233 1.00 30.06 N ATOM 0 H LYS A 33 -4.500 -7.248 -6.828 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.469 -9.870 -6.924 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.445 -8.008 -4.778 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.060 -9.592 -4.352 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.376 -10.533 -6.166 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.631 -8.947 -6.118 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.404 -9.198 -3.555 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.005 -10.838 -3.704 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.448 -9.823 -5.091 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.456 -10.703 -3.576 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.112 -12.185 -5.369 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.640 -12.489 -4.693 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.514 -11.643 -6.160 1.00 30.06 H new ATOM 541 N GLU A 34 -7.423 -7.877 -5.228 1.00 10.11 N ATOM 542 CA GLU A 34 -8.645 -7.845 -4.393 1.00 10.07 C ATOM 543 C GLU A 34 -9.746 -6.903 -4.962 1.00 9.32 C ATOM 544 O GLU A 34 -10.796 -6.663 -4.345 1.00 11.61 O ATOM 545 CB GLU A 34 -8.233 -7.437 -2.954 1.00 14.77 C ATOM 546 CG GLU A 34 -7.199 -8.442 -2.328 1.00 18.75 C ATOM 547 CD GLU A 34 -7.781 -9.775 -1.941 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.604 -9.816 -1.047 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.381 -10.831 -2.510 1.00 21.95 O ATOM 0 H GLU A 34 -6.925 -6.988 -5.256 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.095 -8.838 -4.391 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.801 -6.436 -2.971 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.120 -7.390 -2.323 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.392 -8.606 -3.042 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.755 -7.983 -1.445 1.00 18.75 H new ATOM 556 N GLY A 35 -9.562 -6.248 -6.123 1.00 7.22 N ATOM 557 CA GLY A 35 -10.664 -5.542 -6.806 1.00 6.29 C ATOM 558 C GLY A 35 -11.078 -4.289 -6.177 1.00 6.93 C ATOM 559 O GLY A 35 -12.124 -3.720 -6.473 1.00 7.41 O ATOM 0 H GLY A 35 -8.666 -6.192 -6.607 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.361 -5.333 -7.832 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.526 -6.208 -6.857 1.00 6.29 H new ATOM 563 N ILE A 36 -10.273 -3.798 -5.302 1.00 5.86 N ATOM 564 CA ILE A 36 -10.575 -2.592 -4.531 1.00 6.07 C ATOM 565 C ILE A 36 -10.163 -1.381 -5.324 1.00 6.36 C ATOM 566 O ILE A 36 -9.019 -1.311 -5.708 1.00 6.18 O ATOM 567 CB ILE A 36 -9.807 -2.485 -3.262 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.693 -3.835 -2.531 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.459 -1.442 -2.265 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.699 -3.863 -1.284 1.00 9.49 C ATOM 0 H ILE A 36 -9.367 -4.211 -5.081 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.642 -2.648 -4.316 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.813 -2.147 -3.554 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.686 -4.127 -2.188 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.369 -4.590 -3.248 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.868 -1.394 -1.351 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.484 -0.458 -2.733 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.475 -1.755 -2.024 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.695 -4.860 -0.844 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.692 -3.609 -1.615 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.029 -3.139 -0.539 1.00 9.49 H new ATOM 582 N PRO A 37 -10.953 -0.366 -5.581 1.00 8.65 N ATOM 583 CA PRO A 37 -10.509 0.746 -6.437 1.00 9.18 C ATOM 584 C PRO A 37 -9.502 1.559 -5.719 1.00 9.85 C ATOM 585 O PRO A 37 -9.725 1.770 -4.551 1.00 8.51 O ATOM 586 CB PRO A 37 -11.729 1.543 -6.821 1.00 11.42 C ATOM 587 CG PRO A 37 -12.872 0.471 -6.630 1.00 9.27 C ATOM 588 CD PRO A 37 -12.438 -0.505 -5.527 1.00 8.33 C ATOM 0 HA PRO A 37 -10.027 0.385 -7.345 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.870 2.413 -6.180 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.675 1.908 -7.847 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.808 0.959 -6.359 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.050 -0.065 -7.563 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.841 -0.230 -4.553 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.763 -1.525 -5.730 1.00 8.33 H new ATOM 596 N PRO A 38 -8.376 2.023 -6.316 1.00 8.71 N ATOM 597 CA PRO A 38 -7.342 2.867 -5.636 1.00 9.08 C ATOM 598 C PRO A 38 -7.873 3.997 -4.821 1.00 9.28 C ATOM 599 O PRO A 38 -7.414 4.216 -3.702 1.00 6.50 O ATOM 600 CB PRO A 38 -6.476 3.268 -6.806 1.00 10.31 C ATOM 601 CG PRO A 38 -6.371 1.891 -7.517 1.00 10.81 C ATOM 602 CD PRO A 38 -7.785 1.426 -7.497 1.00 12.00 C ATOM 0 HA PRO A 38 -6.799 2.339 -4.852 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.941 4.030 -7.432 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.506 3.657 -6.497 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.986 1.984 -8.533 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.709 1.207 -6.987 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.312 1.737 -8.399 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.839 0.338 -7.455 1.00 12.00 H new ATOM 610 N ASP A 39 -8.971 4.661 -5.274 1.00 11.20 N ATOM 611 CA ASP A 39 -9.712 5.748 -4.632 1.00 14.96 C ATOM 612 C ASP A 39 -10.174 5.385 -3.264 1.00 13.99 C ATOM 613 O ASP A 39 -10.188 6.254 -2.353 1.00 13.75 O ATOM 614 CB ASP A 39 -10.836 6.118 -5.572 1.00 24.16 C ATOM 615 CG ASP A 39 -10.303 6.682 -6.869 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.892 7.856 -6.940 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.192 5.866 -7.816 1.00 35.55 O ATOM 0 H ASP A 39 -9.384 4.418 -6.175 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.072 6.615 -4.466 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.445 5.238 -5.779 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.486 6.851 -5.094 1.00 24.16 H new ATOM 622 N GLN A 40 -10.527 4.113 -3.022 1.00 11.60 N ATOM 623 CA GLN A 40 -10.916 3.586 -1.697 1.00 10.76 C ATOM 624 C GLN A 40 -9.817 2.992 -0.812 1.00 8.01 C ATOM 625 O GLN A 40 -10.087 2.541 0.289 1.00 8.96 O ATOM 626 CB GLN A 40 -11.949 2.421 -1.859 1.00 11.14 C ATOM 627 CG GLN A 40 -13.142 2.990 -2.693 1.00 14.85 C ATOM 628 CD GLN A 40 -14.325 1.970 -2.753 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.431 1.141 -1.858 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.166 2.097 -3.803 1.00 18.16 N ATOM 0 H GLN A 40 -10.552 3.404 -3.755 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.289 4.486 -1.208 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.495 1.569 -2.365 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.291 2.069 -0.886 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.486 3.925 -2.250 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.806 3.221 -3.704 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.001 2.819 -4.504 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.966 1.471 -3.894 1.00 18.16 H new ATOM 639 N GLN A 41 -8.548 3.004 -1.226 1.00 6.52 N ATOM 640 CA GLN A 41 -7.427 2.540 -0.510 1.00 3.87 C ATOM 641 C GLN A 41 -6.649 3.674 0.189 1.00 4.79 C ATOM 642 O GLN A 41 -6.408 4.726 -0.364 1.00 6.34 O ATOM 643 CB GLN A 41 -6.475 1.843 -1.483 1.00 4.20 C ATOM 644 CG GLN A 41 -7.097 0.704 -2.261 1.00 3.20 C ATOM 645 CD GLN A 41 -6.062 -0.083 -3.092 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.966 -0.388 -2.594 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.411 -0.295 -4.384 1.00 7.13 N ATOM 0 H GLN A 41 -8.292 3.372 -2.142 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.796 1.862 0.260 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.091 2.581 -2.188 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.620 1.461 -0.925 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.594 0.024 -1.568 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.865 1.100 -2.925 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.334 -0.014 -4.716 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.751 -0.735 -5.025 1.00 7.13 H new ATOM 656 N ARG A 42 -6.306 3.389 1.454 1.00 5.73 N ATOM 657 CA ARG A 42 -5.345 4.225 2.270 1.00 6.97 C ATOM 658 C ARG A 42 -4.333 3.342 2.829 1.00 7.15 C ATOM 659 O ARG A 42 -4.587 2.223 3.171 1.00 7.33 O ATOM 660 CB ARG A 42 -6.067 5.098 3.313 1.00 13.23 C ATOM 661 CG ARG A 42 -6.679 6.344 2.608 1.00 21.27 C ATOM 662 CD ARG A 42 -7.069 7.412 3.673 1.00 26.14 C ATOM 663 NE ARG A 42 -7.235 8.737 2.981 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.897 9.816 3.503 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.539 9.834 4.663 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.976 10.884 2.742 1.00 36.39 N ATOM 0 H ARG A 42 -6.672 2.582 1.959 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.844 4.951 1.630 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.851 4.523 3.805 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.368 5.412 4.088 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.961 6.764 1.904 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.558 6.053 2.032 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.995 7.127 4.174 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.299 7.480 4.441 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.824 8.840 2.053 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.566 8.996 5.244 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.006 10.686 4.974 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.555 10.880 1.813 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.458 11.717 3.080 1.00 36.39 H new ATOM 680 N LEU A 43 -3.111 3.772 2.932 1.00 4.65 N ATOM 681 CA LEU A 43 -2.011 2.949 3.344 1.00 3.51 C ATOM 682 C LEU A 43 -1.287 3.624 4.451 1.00 5.56 C ATOM 683 O LEU A 43 -0.883 4.787 4.396 1.00 4.19 O ATOM 684 CB LEU A 43 -1.058 2.718 2.103 1.00 3.74 C ATOM 685 CG LEU A 43 -1.368 1.375 1.367 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.687 1.337 -0.029 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.802 0.304 2.239 1.00 6.41 C ATOM 0 H LEU A 43 -2.843 4.734 2.726 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.365 1.982 3.702 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.166 3.547 1.404 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.021 2.716 2.438 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.438 1.251 1.202 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.918 0.392 -0.521 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.057 2.163 -0.637 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.393 1.430 0.090 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.983 -0.670 1.784 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.271 0.457 2.353 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.280 0.341 3.218 1.00 6.41 H new ATOM 699 N ILE A 44 -0.969 2.800 5.483 1.00 4.58 N ATOM 700 CA ILE A 44 -0.205 3.215 6.649 1.00 5.55 C ATOM 701 C ILE A 44 1.079 2.457 6.719 1.00 5.46 C ATOM 702 O ILE A 44 1.174 1.219 6.850 1.00 6.04 O ATOM 703 CB ILE A 44 -1.120 3.222 7.908 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.353 4.160 7.741 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.184 3.572 9.091 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.256 4.248 8.986 1.00 13.90 C ATOM 0 H ILE A 44 -1.248 1.819 5.512 1.00 4.58 H new ATOM 0 HA ILE A 44 0.127 4.251 6.578 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.591 2.255 8.087 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.002 5.161 7.490 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.949 3.810 6.898 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.760 3.596 10.016 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.599 2.818 9.170 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.268 4.549 8.920 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.089 4.921 8.784 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.640 3.257 9.228 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.678 4.628 9.828 1.00 13.90 H new ATOM 718 N PHE A 45 2.167 3.225 6.756 1.00 6.75 N ATOM 719 CA PHE A 45 3.477 2.666 6.999 1.00 4.70 C ATOM 720 C PHE A 45 4.223 3.671 7.939 1.00 6.34 C ATOM 721 O PHE A 45 4.437 4.861 7.712 1.00 5.45 O ATOM 722 CB PHE A 45 4.334 2.446 5.717 1.00 5.51 C ATOM 723 CG PHE A 45 5.599 1.823 5.993 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.659 0.416 6.132 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.841 2.528 5.917 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.852 -0.215 6.508 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.006 1.854 6.121 1.00 6.64 C ATOM 728 CZ PHE A 45 8.070 0.522 6.572 1.00 6.84 C ATOM 0 H PHE A 45 2.157 4.236 6.620 1.00 6.75 H new ATOM 0 HA PHE A 45 3.343 1.676 7.435 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.776 1.828 5.014 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.506 3.406 5.231 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.776 -0.178 5.946 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.855 3.586 5.700 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.849 -1.267 6.751 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.934 2.371 5.926 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.985 0.086 6.943 1.00 6.84 H new ATOM 738 N ALA A 46 4.677 3.131 9.013 1.00 6.53 N ATOM 739 CA ALA A 46 5.401 3.894 9.952 1.00 7.15 C ATOM 740 C ALA A 46 4.731 5.144 10.554 1.00 9.00 C ATOM 741 O ALA A 46 5.166 6.327 10.574 1.00 11.15 O ATOM 742 CB ALA A 46 6.826 4.105 9.460 1.00 8.99 C ATOM 0 H ALA A 46 4.555 2.149 9.261 1.00 6.53 H new ATOM 0 HA ALA A 46 5.419 3.279 10.852 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.379 4.695 10.190 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.313 3.139 9.330 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.807 4.633 8.506 1.00 8.99 H new ATOM 748 N GLY A 47 3.487 5.009 11.043 1.00 9.35 N ATOM 749 CA GLY A 47 2.753 6.071 11.716 1.00 11.68 C ATOM 750 C GLY A 47 2.032 7.049 10.807 1.00 11.14 C ATOM 751 O GLY A 47 1.266 7.836 11.325 1.00 13.93 O ATOM 0 H GLY A 47 2.961 4.138 10.976 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.021 5.616 12.383 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.450 6.630 12.341 1.00 11.68 H new ATOM 755 N LYS A 48 2.322 6.990 9.500 1.00 10.47 N ATOM 756 CA LYS A 48 1.803 7.978 8.575 1.00 8.82 C ATOM 757 C LYS A 48 1.112 7.330 7.423 1.00 7.68 C ATOM 758 O LYS A 48 1.364 6.214 6.977 1.00 6.47 O ATOM 759 CB LYS A 48 2.962 8.831 7.890 1.00 9.74 C ATOM 760 CG LYS A 48 4.154 8.051 7.418 1.00 14.14 C ATOM 761 CD LYS A 48 5.330 9.010 7.278 1.00 16.32 C ATOM 762 CE LYS A 48 6.621 8.366 6.787 1.00 20.04 C ATOM 763 NZ LYS A 48 7.238 7.670 7.942 1.00 23.92 N ATOM 0 H LYS A 48 2.908 6.272 9.073 1.00 10.47 H new ATOM 0 HA LYS A 48 1.139 8.598 9.177 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.540 9.365 7.038 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.302 9.584 8.601 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.393 7.258 8.126 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.940 7.571 6.463 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.052 9.806 6.588 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.518 9.477 8.245 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.416 7.662 5.980 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.298 9.121 6.387 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.125 7.217 7.641 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.439 8.358 8.695 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.584 6.945 8.301 1.00 23.92 H new ATOM 777 N GLN A 49 0.100 8.116 6.832 1.00 8.89 N ATOM 778 CA GLN A 49 -0.684 7.740 5.711 1.00 7.18 C ATOM 779 C GLN A 49 -0.018 8.234 4.409 1.00 8.23 C ATOM 780 O GLN A 49 0.388 9.397 4.344 1.00 9.70 O ATOM 781 CB GLN A 49 -2.096 8.294 5.856 1.00 11.67 C ATOM 782 CG GLN A 49 -3.173 7.453 5.146 1.00 15.82 C ATOM 783 CD GLN A 49 -3.243 7.616 3.651 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.068 6.623 2.917 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.724 8.776 3.165 1.00 20.67 N ATOM 0 H GLN A 49 -0.142 9.041 7.187 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.750 6.653 5.663 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.342 8.362 6.916 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.120 9.308 5.458 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.995 6.402 5.371 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -4.145 7.709 5.568 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.858 9.573 3.787 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.955 8.857 2.175 1.00 20.67 H new ATOM 794 N LEU A 50 0.109 7.370 3.400 1.00 6.51 N ATOM 795 CA LEU A 50 1.000 7.489 2.317 1.00 7.41 C ATOM 796 C LEU A 50 0.513 8.266 1.132 1.00 8.27 C ATOM 797 O LEU A 50 -0.715 8.344 0.892 1.00 8.34 O ATOM 798 CB LEU A 50 1.543 6.094 1.844 1.00 7.13 C ATOM 799 CG LEU A 50 2.114 5.215 3.099 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.574 3.846 2.524 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.338 5.845 3.837 1.00 9.11 C ATOM 0 H LEU A 50 -0.459 6.525 3.344 1.00 6.51 H new ATOM 0 HA LEU A 50 1.806 8.087 2.742 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.746 5.543 1.345 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.336 6.241 1.111 1.00 7.13 H new ATOM 0 HG LEU A 50 1.309 5.149 3.831 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.964 3.225 3.331 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.727 3.344 2.057 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.355 4.007 1.781 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.646 5.192 4.653 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.164 5.964 3.136 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.059 6.820 4.238 1.00 9.11 H new ATOM 813 N GLU A 51 1.425 8.807 0.386 1.00 9.43 N ATOM 814 CA GLU A 51 1.218 9.637 -0.793 1.00 11.90 C ATOM 815 C GLU A 51 1.661 8.906 -2.024 1.00 11.49 C ATOM 816 O GLU A 51 2.786 8.578 -2.192 1.00 9.88 O ATOM 817 CB GLU A 51 1.954 10.967 -0.729 1.00 16.56 C ATOM 818 CG GLU A 51 1.488 11.835 0.499 1.00 26.06 C ATOM 819 CD GLU A 51 2.221 13.167 0.527 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.971 14.055 -0.284 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.196 13.183 1.308 1.00 33.44 O ATOM 0 H GLU A 51 2.416 8.679 0.589 1.00 9.43 H new ATOM 0 HA GLU A 51 0.150 9.850 -0.828 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.027 10.786 -0.660 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.783 11.522 -1.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.413 12.007 0.442 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.675 11.292 1.426 1.00 26.06 H new ATOM 828 N ASP A 52 0.740 8.781 -3.019 1.00 12.71 N ATOM 829 CA ASP A 52 0.720 7.872 -4.179 1.00 16.56 C ATOM 830 C ASP A 52 1.923 7.961 -5.146 1.00 15.83 C ATOM 831 O ASP A 52 2.373 6.963 -5.631 1.00 17.21 O ATOM 832 CB ASP A 52 -0.559 8.090 -4.996 1.00 21.05 C ATOM 833 CG ASP A 52 -1.825 7.980 -4.149 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.154 9.024 -3.495 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.431 6.892 -4.040 1.00 25.82 O ATOM 0 H ASP A 52 -0.086 9.379 -3.020 1.00 12.71 H new ATOM 0 HA ASP A 52 0.772 6.881 -3.728 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.524 9.074 -5.463 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.600 7.356 -5.801 1.00 21.05 H new ATOM 840 N GLY A 53 2.484 9.110 -5.426 1.00 15.00 N ATOM 841 CA GLY A 53 3.555 9.312 -6.355 1.00 11.77 C ATOM 842 C GLY A 53 4.934 8.990 -5.794 1.00 11.10 C ATOM 843 O GLY A 53 5.919 8.819 -6.503 1.00 11.25 O ATOM 0 H GLY A 53 2.184 9.978 -4.982 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.379 8.694 -7.235 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.543 10.350 -6.687 1.00 11.77 H new ATOM 847 N ARG A 54 5.084 8.854 -4.467 1.00 8.53 N ATOM 848 CA ARG A 54 6.276 8.521 -3.757 1.00 9.05 C ATOM 849 C ARG A 54 6.724 7.114 -4.089 1.00 8.96 C ATOM 850 O ARG A 54 5.911 6.175 -3.972 1.00 11.60 O ATOM 851 CB ARG A 54 6.111 8.747 -2.251 1.00 7.97 C ATOM 852 CG ARG A 54 5.714 10.144 -1.789 1.00 9.62 C ATOM 853 CD ARG A 54 6.684 11.209 -2.183 1.00 12.20 C ATOM 854 NE ARG A 54 6.171 12.448 -1.533 1.00 18.23 N ATOM 855 CZ ARG A 54 6.819 13.598 -1.750 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.802 13.798 -2.601 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.671 14.546 -0.821 1.00 23.38 N ATOM 0 H ARG A 54 4.296 8.990 -3.834 1.00 8.53 H new ATOM 0 HA ARG A 54 7.069 9.194 -4.083 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.361 8.046 -1.886 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.052 8.487 -1.767 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.735 10.388 -2.201 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.612 10.142 -0.704 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.692 10.972 -1.843 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.731 11.321 -3.266 1.00 12.20 H new ATOM 0 HE ARG A 54 5.344 12.420 -0.936 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.141 13.029 -3.178 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.225 14.723 -2.684 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.089 14.371 -0.002 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.140 15.445 -0.930 1.00 23.38 H new ATOM 871 N THR A 55 8.027 6.854 -4.234 1.00 9.05 N ATOM 872 CA THR A 55 8.605 5.550 -4.244 1.00 9.03 C ATOM 873 C THR A 55 8.713 4.868 -2.914 1.00 8.15 C ATOM 874 O THR A 55 8.705 5.483 -1.801 1.00 5.91 O ATOM 875 CB THR A 55 10.017 5.451 -4.984 1.00 11.15 C ATOM 876 OG1 THR A 55 11.073 6.066 -4.334 1.00 11.95 O ATOM 877 CG2 THR A 55 9.851 6.036 -6.374 1.00 11.71 C ATOM 0 H THR A 55 8.719 7.594 -4.351 1.00 9.05 H new ATOM 0 HA THR A 55 7.859 5.012 -4.828 1.00 9.03 H new ATOM 0 HB THR A 55 10.290 4.396 -5.004 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.892 5.951 -4.860 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.800 5.983 -6.907 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.097 5.469 -6.920 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.536 7.077 -6.296 1.00 11.71 H new ATOM 885 N LEU A 56 8.936 3.510 -2.927 1.00 6.91 N ATOM 886 CA LEU A 56 9.205 2.642 -1.782 1.00 8.29 C ATOM 887 C LEU A 56 10.492 3.011 -1.097 1.00 8.05 C ATOM 888 O LEU A 56 10.499 3.097 0.143 1.00 10.17 O ATOM 889 CB LEU A 56 9.206 1.079 -2.114 1.00 6.60 C ATOM 890 CG LEU A 56 7.852 0.286 -1.882 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.728 1.001 -2.626 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.961 -1.184 -2.345 1.00 8.64 C ATOM 0 H LEU A 56 8.927 2.986 -3.802 1.00 6.91 H new ATOM 0 HA LEU A 56 8.363 2.816 -1.112 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.495 0.956 -3.158 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.981 0.606 -1.511 1.00 6.60 H new ATOM 0 HG LEU A 56 7.637 0.266 -0.814 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.792 0.464 -2.474 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.629 2.018 -2.246 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.959 1.032 -3.691 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.013 -1.692 -2.169 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.197 -1.214 -3.409 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.751 -1.684 -1.784 1.00 8.64 H new ATOM 904 N SER A 57 11.618 3.248 -1.846 1.00 8.92 N ATOM 905 CA SER A 57 12.874 3.847 -1.402 1.00 9.00 C ATOM 906 C SER A 57 12.741 5.188 -0.646 1.00 9.44 C ATOM 907 O SER A 57 13.356 5.448 0.343 1.00 10.91 O ATOM 908 CB SER A 57 13.843 4.057 -2.521 1.00 10.32 C ATOM 909 OG SER A 57 14.282 2.791 -3.071 1.00 13.59 O ATOM 0 H SER A 57 11.650 3.001 -2.835 1.00 8.92 H new ATOM 0 HA SER A 57 13.245 3.101 -0.700 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.376 4.655 -3.303 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.704 4.619 -2.160 1.00 10.32 H new ATOM 0 HG SER A 57 13.548 2.381 -3.574 1.00 13.59 H new ATOM 915 N ASP A 58 11.828 6.071 -1.120 1.00 9.11 N ATOM 916 CA ASP A 58 11.550 7.411 -0.555 1.00 7.91 C ATOM 917 C ASP A 58 10.724 7.331 0.828 1.00 9.12 C ATOM 918 O ASP A 58 10.663 8.374 1.523 1.00 8.61 O ATOM 919 CB ASP A 58 10.822 8.220 -1.645 1.00 8.41 C ATOM 920 CG ASP A 58 11.011 9.710 -1.453 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.182 10.138 -1.362 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.043 10.463 -1.330 1.00 10.05 O ATOM 0 H ASP A 58 11.247 5.862 -1.932 1.00 9.11 H new ATOM 0 HA ASP A 58 12.480 7.912 -0.285 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.196 7.929 -2.626 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.758 7.982 -1.626 1.00 8.41 H new ATOM 927 N TYR A 59 10.090 6.196 1.100 1.00 7.97 N ATOM 928 CA TYR A 59 9.444 5.909 2.334 1.00 8.45 C ATOM 929 C TYR A 59 10.230 4.817 3.120 1.00 10.98 C ATOM 930 O TYR A 59 9.781 4.468 4.236 1.00 12.95 O ATOM 931 CB TYR A 59 7.989 5.333 2.180 1.00 7.94 C ATOM 932 CG TYR A 59 7.041 6.432 2.198 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.793 7.226 3.318 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.275 6.611 1.010 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.774 8.249 3.219 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.188 7.510 0.999 1.00 6.52 C ATOM 937 CZ TYR A 59 4.941 8.381 2.084 1.00 6.76 C ATOM 938 OH TYR A 59 3.963 9.342 1.941 1.00 7.63 O ATOM 0 H TYR A 59 10.021 5.433 0.427 1.00 7.97 H new ATOM 0 HA TYR A 59 9.407 6.870 2.846 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.902 4.776 1.247 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.773 4.636 2.989 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.346 7.081 4.234 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.527 6.058 0.117 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.645 8.937 4.042 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.530 7.533 0.143 1.00 6.52 H new ATOM 0 HH TYR A 59 4.069 9.790 1.076 1.00 7.63 H new ATOM 948 N ASN A 60 11.380 4.335 2.699 1.00 12.38 N ATOM 949 CA ASN A 60 12.141 3.326 3.454 1.00 13.94 C ATOM 950 C ASN A 60 11.441 1.984 3.650 1.00 14.16 C ATOM 951 O ASN A 60 11.498 1.314 4.644 1.00 14.26 O ATOM 952 CB ASN A 60 12.633 3.903 4.841 1.00 19.23 C ATOM 953 CG ASN A 60 13.603 5.024 4.572 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.819 4.835 4.627 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.106 6.264 4.475 1.00 24.09 N ATOM 0 H ASN A 60 11.825 4.622 1.827 1.00 12.38 H new ATOM 0 HA ASN A 60 12.998 3.105 2.818 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.786 4.266 5.423 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.112 3.120 5.429 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.736 7.065 4.446 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.097 6.407 4.430 1.00 24.09 H new ATOM 962 N ILE A 61 10.760 1.551 2.605 1.00 11.08 N ATOM 963 CA ILE A 61 10.064 0.244 2.520 1.00 11.78 C ATOM 964 C ILE A 61 11.016 -0.741 1.978 1.00 13.74 C ATOM 965 O ILE A 61 11.641 -0.545 0.903 1.00 14.60 O ATOM 966 CB ILE A 61 8.739 0.265 1.777 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.656 1.187 2.513 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.069 -1.172 1.734 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.506 1.736 1.682 1.00 11.42 C ATOM 0 H ILE A 61 10.662 2.105 1.754 1.00 11.08 H new ATOM 0 HA ILE A 61 9.758 -0.041 3.527 1.00 11.78 H new ATOM 0 HB ILE A 61 8.984 0.637 0.782 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.230 0.611 3.335 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.182 2.033 2.956 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.123 -1.117 1.195 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.736 -1.869 1.227 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.887 -1.519 2.751 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.856 2.340 2.315 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.902 2.352 0.875 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.935 0.909 1.260 1.00 11.42 H new ATOM 981 N GLN A 62 11.212 -1.863 2.689 1.00 13.97 N ATOM 982 CA GLN A 62 12.253 -2.853 2.546 1.00 15.52 C ATOM 983 C GLN A 62 11.707 -4.242 2.471 1.00 13.94 C ATOM 984 O GLN A 62 10.517 -4.406 2.788 1.00 12.15 O ATOM 985 CB GLN A 62 13.149 -2.854 3.801 1.00 19.53 C ATOM 986 CG GLN A 62 13.912 -1.533 3.964 1.00 26.38 C ATOM 987 CD GLN A 62 14.524 -1.352 5.324 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.278 -2.198 6.180 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.224 -0.235 5.553 1.00 32.71 N ATOM 0 H GLN A 62 10.576 -2.109 3.447 1.00 13.97 H new ATOM 0 HA GLN A 62 12.788 -2.594 1.632 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.535 -3.029 4.684 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.860 -3.678 3.738 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.699 -1.483 3.212 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.232 -0.704 3.768 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.392 0.426 4.795 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.590 -0.045 6.486 1.00 32.71 H new ATOM 998 N LYS A 63 12.456 -5.196 2.026 1.00 11.73 N ATOM 999 CA LYS A 63 12.055 -6.570 2.034 1.00 11.97 C ATOM 1000 C LYS A 63 11.412 -7.135 3.307 1.00 10.41 C ATOM 1001 O LYS A 63 11.878 -6.924 4.384 1.00 9.59 O ATOM 1002 CB LYS A 63 13.297 -7.406 1.604 1.00 13.73 C ATOM 1003 CG LYS A 63 13.067 -8.844 1.444 1.00 16.98 C ATOM 1004 CD LYS A 63 14.169 -9.727 0.811 1.00 20.19 C ATOM 1005 CE LYS A 63 15.556 -9.531 1.546 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.573 -10.447 1.084 1.00 25.97 N ATOM 0 H LYS A 63 13.386 -5.042 1.637 1.00 11.73 H new ATOM 0 HA LYS A 63 11.219 -6.640 1.338 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.671 -7.009 0.660 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.084 -7.262 2.345 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.849 -9.252 2.431 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.166 -8.966 0.843 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.873 -10.775 0.863 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.276 -9.478 -0.245 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.900 -8.508 1.394 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.415 -9.664 2.619 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.459 -10.272 1.601 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.262 -11.425 1.252 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.732 -10.305 0.066 1.00 25.97 H new ATOM 1020 N GLU A 64 10.289 -7.838 3.168 1.00 10.04 N ATOM 1021 CA GLU A 64 9.523 -8.430 4.255 1.00 10.94 C ATOM 1022 C GLU A 64 8.972 -7.337 5.191 1.00 9.74 C ATOM 1023 O GLU A 64 8.642 -7.556 6.338 1.00 9.42 O ATOM 1024 CB GLU A 64 10.329 -9.537 4.963 1.00 18.31 C ATOM 1025 CG GLU A 64 10.448 -10.835 4.128 1.00 24.16 C ATOM 1026 CD GLU A 64 11.159 -11.950 4.664 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.034 -12.191 5.934 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.866 -12.648 3.884 1.00 31.72 O ATOM 0 H GLU A 64 9.873 -8.016 2.254 1.00 10.04 H new ATOM 0 HA GLU A 64 8.646 -8.935 3.849 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.328 -9.163 5.186 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.855 -9.769 5.917 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.437 -11.171 3.900 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.918 -10.572 3.180 1.00 24.16 H new ATOM 1035 N SER A 65 8.807 -6.068 4.663 1.00 6.85 N ATOM 1036 CA SER A 65 8.209 -4.963 5.379 1.00 6.90 C ATOM 1037 C SER A 65 6.678 -5.172 5.358 1.00 4.72 C ATOM 1038 O SER A 65 6.129 -5.754 4.493 1.00 3.91 O ATOM 1039 CB SER A 65 8.482 -3.522 4.801 1.00 7.28 C ATOM 1040 OG SER A 65 9.717 -2.961 5.284 1.00 10.56 O ATOM 0 H SER A 65 9.101 -5.823 3.718 1.00 6.85 H new ATOM 0 HA SER A 65 8.666 -4.980 6.369 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.509 -3.569 3.712 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.657 -2.863 5.071 1.00 7.28 H new ATOM 0 HG SER A 65 9.681 -1.984 5.217 1.00 10.56 H new ATOM 1046 N THR A 66 5.997 -4.610 6.365 1.00 4.48 N ATOM 1047 CA THR A 66 4.530 -4.741 6.492 1.00 3.80 C ATOM 1048 C THR A 66 3.933 -3.422 6.289 1.00 4.60 C ATOM 1049 O THR A 66 4.216 -2.470 7.017 1.00 5.33 O ATOM 1050 CB THR A 66 4.050 -5.197 7.871 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.554 -6.487 8.233 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.521 -5.329 7.852 1.00 3.40 C ATOM 0 H THR A 66 6.433 -4.060 7.105 1.00 4.48 H new ATOM 0 HA THR A 66 4.237 -5.492 5.758 1.00 3.80 H new ATOM 0 HB THR A 66 4.406 -4.454 8.584 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.220 -6.731 9.121 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.172 -5.654 8.832 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.076 -4.364 7.609 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.228 -6.063 7.101 1.00 3.40 H new ATOM 1060 N LEU A 67 3.037 -3.355 5.301 1.00 4.17 N ATOM 1061 CA LEU A 67 2.242 -2.210 4.969 1.00 3.85 C ATOM 1062 C LEU A 67 0.866 -2.492 5.453 1.00 3.80 C ATOM 1063 O LEU A 67 0.432 -3.629 5.487 1.00 5.54 O ATOM 1064 CB LEU A 67 2.040 -2.067 3.454 1.00 7.18 C ATOM 1065 CG LEU A 67 3.070 -1.199 2.657 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.473 -1.773 2.815 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.736 -0.832 1.218 1.00 11.66 C ATOM 0 H LEU A 67 2.850 -4.150 4.689 1.00 4.17 H new ATOM 0 HA LEU A 67 2.734 -1.333 5.389 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.039 -3.067 3.021 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.048 -1.647 3.287 1.00 7.18 H new ATOM 0 HG LEU A 67 3.009 -0.219 3.129 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.181 -1.161 2.256 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.748 -1.776 3.870 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.494 -2.793 2.432 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.543 -0.231 0.799 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.618 -1.741 0.629 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.808 -0.261 1.194 1.00 11.66 H new ATOM 1079 N HIS A 68 0.138 -1.442 5.884 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.143 -1.612 6.454 1.00 4.17 C ATOM 1081 C HIS A 68 -2.160 -0.970 5.588 1.00 5.32 C ATOM 1082 O HIS A 68 -2.078 0.152 5.181 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.341 -1.098 7.870 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.352 -1.719 8.742 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.940 -1.271 8.791 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.393 -2.858 9.462 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.641 -2.191 9.509 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.863 -3.136 9.933 1.00 16.30 N ATOM 0 H HIS A 68 0.451 -0.472 5.832 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.253 -2.694 6.522 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.237 -0.013 7.895 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.348 -1.330 8.217 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.306 -0.416 8.372 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.275 -3.456 9.639 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.703 -2.140 9.699 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.201 -1.770 5.189 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.202 -1.410 4.251 1.00 3.97 C ATOM 1098 C LEU A 69 -5.401 -0.955 5.057 1.00 5.07 C ATOM 1099 O LEU A 69 -5.913 -1.714 5.949 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.540 -2.564 3.279 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.621 -2.250 2.155 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.314 -0.956 1.352 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.615 -3.367 1.184 1.00 9.96 C ATOM 0 H LEU A 69 -3.328 -2.713 5.555 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.853 -0.607 3.603 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.619 -2.878 2.788 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.894 -3.412 3.866 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.578 -2.121 2.661 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.090 -0.801 0.602 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.290 -0.104 2.031 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.347 -1.055 0.859 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.350 -3.174 0.402 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.625 -3.455 0.737 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.866 -4.296 1.696 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.906 0.195 4.863 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.053 0.748 5.520 1.00 6.26 C ATOM 1117 C VAL A 70 -7.956 1.274 4.404 1.00 9.22 C ATOM 1118 O VAL A 70 -7.630 2.155 3.621 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.614 1.904 6.423 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.878 2.472 7.075 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.536 1.429 7.451 1.00 8.54 C ATOM 0 H VAL A 70 -5.505 0.843 4.185 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.566 0.011 6.138 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.127 2.696 5.855 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.609 3.301 7.729 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.559 2.827 6.301 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.367 1.693 7.659 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.240 2.268 8.081 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.951 0.636 8.073 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.664 1.052 6.916 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.205 0.723 4.275 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.188 1.086 3.294 1.00 16.06 C ATOM 1133 C LEU A 71 -11.109 2.286 3.649 1.00 18.09 C ATOM 1134 O LEU A 71 -11.498 2.564 4.812 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.975 -0.126 2.796 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.155 -1.294 2.249 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.150 -2.278 1.704 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.000 -0.866 1.261 1.00 19.57 C ATOM 0 H LEU A 71 -9.532 -0.016 4.897 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.592 1.472 2.467 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.589 -0.495 3.618 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.657 0.208 2.014 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.571 -1.769 3.037 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.623 -3.140 1.296 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.815 -2.604 2.504 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.736 -1.805 0.916 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.467 -1.753 0.919 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.428 -0.347 0.404 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.306 -0.203 1.778 1.00 19.57 H new