USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot -63:sc= 1.29 USER MOD Set 1.2: A 57 SER OG : rot -35:sc= 0.0311 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -131:sc= 0.164 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -1:sc= 0.194 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.0298 (180deg=-0.0436) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.1 (180deg=0.971) USER MOD Single : A 2 GLN : amide:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0.891 (180deg=0.758) 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 0.668 (180deg=0.101) USER MOD Single : A 31 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 GLN : amide:sc= 0.175 K(o=0.17,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.43) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.644 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 60:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.319 K(o=0.32,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.814 -6.445 -4.516 1.00 9.67 N ATOM 2 CA MET A 1 11.834 -7.011 -3.095 1.00 10.38 C ATOM 3 C MET A 1 10.426 -7.395 -2.564 1.00 9.62 C ATOM 4 O MET A 1 9.421 -7.052 -3.199 1.00 9.62 O ATOM 5 CB MET A 1 12.577 -6.082 -2.095 1.00 13.77 C ATOM 6 CG MET A 1 12.225 -4.645 -2.056 1.00 16.29 C ATOM 7 SD MET A 1 10.652 -4.149 -1.140 1.00 17.17 S ATOM 8 CE MET A 1 11.115 -2.426 -1.070 1.00 16.11 C ATOM 0 H1 MET A 1 12.544 -5.710 -4.607 1.00 9.67 H new ATOM 0 H2 MET A 1 12.004 -7.208 -5.196 1.00 9.67 H new ATOM 0 H3 MET A 1 10.880 -6.031 -4.712 1.00 9.67 H new ATOM 0 HA MET A 1 12.402 -7.938 -3.168 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.424 -6.486 -1.094 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.643 -6.154 -2.308 1.00 13.77 H new ATOM 0 HG2 MET A 1 13.059 -4.108 -1.604 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.139 -4.293 -3.084 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.362 -1.869 -0.512 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.080 -2.329 -0.574 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.185 -2.027 -2.082 1.00 16.11 H new ATOM 20 N GLN A 2 10.301 -8.046 -1.442 1.00 9.27 N ATOM 21 CA GLN A 2 9.095 -8.536 -0.851 1.00 9.07 C ATOM 22 C GLN A 2 8.426 -7.548 0.071 1.00 8.72 C ATOM 23 O GLN A 2 9.079 -6.916 0.899 1.00 8.22 O ATOM 24 CB GLN A 2 9.376 -9.863 -0.071 1.00 14.46 C ATOM 25 CG GLN A 2 8.258 -10.309 0.817 1.00 17.01 C ATOM 26 CD GLN A 2 8.469 -11.826 1.236 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.727 -12.057 2.382 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.460 -12.723 0.274 1.00 19.49 N ATOM 0 H GLN A 2 11.116 -8.265 -0.869 1.00 9.27 H new ATOM 0 HA GLN A 2 8.407 -8.714 -1.678 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.590 -10.654 -0.790 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.273 -9.731 0.534 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.216 -9.680 1.706 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.305 -10.195 0.301 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.229 -12.445 -0.680 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.684 -13.696 0.482 1.00 19.49 H new ATOM 37 N ILE A 3 7.103 -7.354 -0.070 1.00 5.87 N ATOM 38 CA ILE A 3 6.305 -6.620 0.971 1.00 5.07 C ATOM 39 C ILE A 3 5.062 -7.481 1.354 1.00 4.01 C ATOM 40 O ILE A 3 4.746 -8.453 0.644 1.00 4.61 O ATOM 41 CB ILE A 3 5.699 -5.260 0.438 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.102 -5.411 -0.935 1.00 4.72 C ATOM 43 CG2 ILE A 3 6.875 -4.264 0.202 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.225 -4.276 -1.320 1.00 10.83 C ATOM 0 H ILE A 3 6.559 -7.680 -0.869 1.00 5.87 H new ATOM 0 HA ILE A 3 6.989 -6.430 1.798 1.00 5.07 H new ATOM 0 HB ILE A 3 4.956 -4.937 1.167 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.906 -5.505 -1.665 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.527 -6.336 -0.974 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.481 -3.317 -0.167 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.404 -4.097 1.140 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.563 -4.681 -0.533 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.827 -4.447 -2.320 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.402 -4.196 -0.610 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.802 -3.351 -1.312 1.00 10.83 H new ATOM 56 N PHE A 4 4.331 -7.160 2.482 1.00 4.55 N ATOM 57 CA PHE A 4 3.095 -7.772 2.895 1.00 4.68 C ATOM 58 C PHE A 4 2.061 -6.646 2.918 1.00 5.30 C ATOM 59 O PHE A 4 2.358 -5.519 3.334 1.00 5.58 O ATOM 60 CB PHE A 4 3.144 -8.425 4.353 1.00 4.83 C ATOM 61 CG PHE A 4 4.329 -9.410 4.430 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.288 -10.684 3.879 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.448 -9.016 5.157 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.365 -11.527 4.051 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.552 -9.822 5.280 1.00 10.61 C ATOM 66 CZ PHE A 4 6.494 -11.113 4.673 1.00 8.90 C ATOM 0 H PHE A 4 4.636 -6.431 3.127 1.00 4.55 H new ATOM 0 HA PHE A 4 2.866 -8.584 2.205 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.253 -7.647 5.109 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.209 -8.945 4.563 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.422 -11.011 3.322 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.448 -8.049 5.638 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.307 -12.540 3.681 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.430 -9.493 5.815 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.356 -11.763 4.710 1.00 8.90 H new ATOM 76 N VAL A 5 0.828 -6.942 2.578 1.00 4.44 N ATOM 77 CA VAL A 5 -0.282 -6.007 2.639 1.00 3.87 C ATOM 78 C VAL A 5 -1.288 -6.613 3.634 1.00 4.93 C ATOM 79 O VAL A 5 -1.655 -7.760 3.413 1.00 6.84 O ATOM 80 CB VAL A 5 -0.878 -5.680 1.234 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.205 -4.876 1.431 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.168 -4.950 0.398 1.00 9.13 C ATOM 0 H VAL A 5 0.557 -7.866 2.241 1.00 4.44 H new ATOM 0 HA VAL A 5 0.039 -5.026 2.989 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.131 -6.585 0.682 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.635 -4.639 0.458 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.912 -5.476 2.004 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.994 -3.952 1.969 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.246 -4.721 -0.584 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.451 -4.024 0.898 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.048 -5.583 0.282 1.00 9.13 H new ATOM 92 N LYS A 6 -1.594 -5.868 4.713 1.00 6.04 N ATOM 93 CA LYS A 6 -2.291 -6.457 5.849 1.00 6.12 C ATOM 94 C LYS A 6 -3.511 -5.676 6.184 1.00 6.57 C ATOM 95 O LYS A 6 -3.507 -4.431 6.115 1.00 5.76 O ATOM 96 CB LYS A 6 -1.278 -6.453 7.008 1.00 7.45 C ATOM 97 CG LYS A 6 -1.853 -7.149 8.281 1.00 11.12 C ATOM 98 CD LYS A 6 -0.714 -7.600 9.177 1.00 14.54 C ATOM 99 CE LYS A 6 -1.242 -8.436 10.346 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.595 -9.827 9.961 1.00 20.55 N ATOM 0 H LYS A 6 -1.371 -4.878 4.813 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.634 -7.469 5.633 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.366 -6.962 6.696 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.004 -5.426 7.248 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.503 -6.461 8.821 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.464 -8.005 7.994 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.000 -8.186 8.598 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.179 -6.730 9.558 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.488 -8.464 11.133 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.122 -7.948 10.765 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.543 -10.057 10.322 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.589 -9.913 8.925 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.901 -10.486 10.367 1.00 20.55 H new ATOM 114 N THR A 7 -4.609 -6.413 6.470 1.00 7.41 N ATOM 115 CA THR A 7 -5.848 -5.827 6.829 1.00 7.48 C ATOM 116 C THR A 7 -6.428 -6.322 8.207 1.00 8.75 C ATOM 117 O THR A 7 -6.233 -7.441 8.671 1.00 8.58 O ATOM 118 CB THR A 7 -6.959 -5.956 5.720 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.029 -7.317 5.229 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.616 -5.057 4.508 1.00 9.17 C ATOM 0 H THR A 7 -4.624 -7.433 6.448 1.00 7.41 H new ATOM 0 HA THR A 7 -5.589 -4.774 6.936 1.00 7.48 H new ATOM 0 HB THR A 7 -7.906 -5.658 6.170 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.725 -7.382 4.542 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.393 -5.157 3.750 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.556 -4.018 4.831 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.658 -5.362 4.088 1.00 9.17 H new ATOM 128 N LEU A 8 -7.120 -5.459 8.955 1.00 9.84 N ATOM 129 CA LEU A 8 -7.547 -5.625 10.310 1.00 14.15 C ATOM 130 C LEU A 8 -8.372 -6.890 10.624 1.00 17.37 C ATOM 131 O LEU A 8 -8.130 -7.518 11.668 1.00 17.01 O ATOM 132 CB LEU A 8 -8.396 -4.368 10.662 1.00 16.63 C ATOM 133 CG LEU A 8 -8.584 -4.278 12.170 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.330 -3.927 12.944 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.674 -3.245 12.546 1.00 18.59 C ATOM 0 H LEU A 8 -7.411 -4.557 8.579 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.644 -5.744 10.908 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.901 -3.469 10.294 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.366 -4.423 10.168 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.881 -5.287 12.455 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.559 -3.885 14.009 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.568 -4.686 12.766 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.959 -2.957 12.615 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.781 -3.207 13.630 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.386 -2.261 12.175 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.623 -3.538 12.098 1.00 18.59 H new ATOM 147 N THR A 9 -9.288 -7.259 9.746 1.00 18.33 N ATOM 148 CA THR A 9 -10.082 -8.471 9.871 1.00 19.24 C ATOM 149 C THR A 9 -9.283 -9.747 9.473 1.00 19.48 C ATOM 150 O THR A 9 -9.897 -10.845 9.368 1.00 23.14 O ATOM 151 CB THR A 9 -11.362 -8.234 9.138 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.173 -7.612 7.888 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.339 -7.335 9.914 1.00 19.70 C ATOM 0 H THR A 9 -9.506 -6.716 8.911 1.00 18.33 H new ATOM 0 HA THR A 9 -10.334 -8.686 10.909 1.00 19.24 H new ATOM 0 HB THR A 9 -11.773 -9.236 9.013 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.041 -7.483 7.452 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.250 -7.199 9.331 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.585 -7.803 10.867 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.876 -6.365 10.094 1.00 19.70 H new ATOM 161 N GLY A 10 -7.983 -9.673 9.230 1.00 19.43 N ATOM 162 CA GLY A 10 -7.100 -10.856 9.506 1.00 18.74 C ATOM 163 C GLY A 10 -6.463 -11.491 8.253 1.00 17.62 C ATOM 164 O GLY A 10 -5.560 -12.329 8.389 1.00 19.74 O ATOM 0 H GLY A 10 -7.506 -8.852 8.857 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.305 -10.548 10.185 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.685 -11.616 10.024 1.00 18.74 H new ATOM 168 N LYS A 11 -6.893 -11.009 7.063 1.00 13.56 N ATOM 169 CA LYS A 11 -6.217 -11.320 5.819 1.00 11.91 C ATOM 170 C LYS A 11 -4.819 -10.643 5.694 1.00 10.18 C ATOM 171 O LYS A 11 -4.590 -9.534 6.213 1.00 9.10 O ATOM 172 CB LYS A 11 -7.148 -10.954 4.565 1.00 13.43 C ATOM 173 CG LYS A 11 -6.618 -11.639 3.259 1.00 16.69 C ATOM 174 CD LYS A 11 -7.617 -11.420 2.120 1.00 17.92 C ATOM 175 CE LYS A 11 -7.038 -12.013 0.792 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.037 -12.046 -0.252 1.00 21.93 N ATOM 0 H LYS A 11 -7.707 -10.404 6.957 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.034 -12.394 5.824 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.171 -11.275 4.760 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.174 -9.873 4.429 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.647 -11.225 2.988 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.474 -12.706 3.429 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.567 -11.897 2.359 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.817 -10.355 1.998 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.188 -11.414 0.465 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.667 -13.021 0.974 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.604 -12.380 -1.136 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.805 -12.691 0.023 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.422 -11.090 -0.395 1.00 21.93 H new ATOM 190 N THR A 12 -3.877 -11.354 5.063 1.00 9.63 N ATOM 191 CA THR A 12 -2.594 -10.793 4.680 1.00 9.85 C ATOM 192 C THR A 12 -2.220 -11.337 3.371 1.00 11.66 C ATOM 193 O THR A 12 -2.473 -12.498 3.110 1.00 12.33 O ATOM 194 CB THR A 12 -1.465 -11.185 5.633 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.753 -10.593 6.860 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.132 -10.575 5.189 1.00 9.63 C ATOM 0 H THR A 12 -3.992 -12.335 4.807 1.00 9.63 H new ATOM 0 HA THR A 12 -2.711 -9.709 4.686 1.00 9.85 H new ATOM 0 HB THR A 12 -1.389 -12.272 5.665 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.580 -10.072 6.786 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.653 -10.870 5.885 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.116 -10.932 4.189 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.215 -9.488 5.176 1.00 9.63 H new ATOM 204 N ILE A 13 -1.603 -10.528 2.542 1.00 10.42 N ATOM 205 CA ILE A 13 -1.154 -10.938 1.182 1.00 11.84 C ATOM 206 C ILE A 13 0.232 -10.561 0.915 1.00 10.55 C ATOM 207 O ILE A 13 0.627 -9.412 1.199 1.00 11.92 O ATOM 208 CB ILE A 13 -2.132 -10.542 0.061 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.153 -8.975 -0.220 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.537 -11.237 0.205 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.640 -8.652 -1.652 1.00 16.46 C ATOM 0 H ILE A 13 -1.386 -9.558 2.769 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.171 -12.028 1.179 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.741 -10.955 -0.869 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.804 -8.485 0.504 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.153 -8.567 -0.076 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.185 -10.921 -0.612 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.413 -12.319 0.172 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.988 -10.953 1.156 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.639 -7.572 -1.802 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.974 -9.119 -2.377 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.651 -9.036 -1.788 1.00 16.46 H new ATOM 223 N THR A 14 1.068 -11.404 0.424 1.00 9.39 N ATOM 224 CA THR A 14 2.481 -11.106 0.083 1.00 9.63 C ATOM 225 C THR A 14 2.537 -10.582 -1.357 1.00 11.20 C ATOM 226 O THR A 14 1.831 -11.099 -2.277 1.00 11.63 O ATOM 227 CB THR A 14 3.341 -12.349 0.204 1.00 10.38 C ATOM 228 OG1 THR A 14 2.917 -13.044 1.380 1.00 16.30 O ATOM 229 CG2 THR A 14 4.830 -12.007 0.286 1.00 11.66 C ATOM 0 H THR A 14 0.811 -12.371 0.227 1.00 9.39 H new ATOM 0 HA THR A 14 2.865 -10.358 0.777 1.00 9.63 H new ATOM 0 HB THR A 14 3.219 -12.970 -0.683 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.452 -13.857 1.490 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.410 -12.926 0.372 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.130 -11.471 -0.614 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.012 -11.380 1.159 1.00 11.66 H new ATOM 237 N LEU A 15 3.432 -9.566 -1.589 1.00 8.29 N ATOM 238 CA LEU A 15 3.667 -9.011 -2.937 1.00 9.03 C ATOM 239 C LEU A 15 5.133 -8.711 -3.224 1.00 8.59 C ATOM 240 O LEU A 15 5.979 -8.805 -2.313 1.00 7.79 O ATOM 241 CB LEU A 15 2.911 -7.614 -3.062 1.00 11.08 C ATOM 242 CG LEU A 15 1.404 -7.653 -3.262 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.766 -6.279 -3.429 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.022 -8.531 -4.479 1.00 15.27 C ATOM 0 H LEU A 15 3.991 -9.128 -0.856 1.00 8.29 H new ATOM 0 HA LEU A 15 3.311 -9.767 -3.637 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.117 -7.037 -2.161 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.348 -7.067 -3.897 1.00 11.08 H new ATOM 0 HG LEU A 15 1.012 -8.087 -2.342 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.309 -6.392 -3.567 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.957 -5.679 -2.540 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.193 -5.783 -4.300 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.062 -8.539 -4.596 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.481 -8.124 -5.380 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.377 -9.549 -4.319 1.00 15.27 H new ATOM 256 N GLU A 16 5.511 -8.440 -4.486 1.00 11.04 N ATOM 257 CA GLU A 16 6.841 -8.088 -4.917 1.00 11.50 C ATOM 258 C GLU A 16 6.872 -6.674 -5.574 1.00 10.13 C ATOM 259 O GLU A 16 5.972 -6.382 -6.361 1.00 9.83 O ATOM 260 CB GLU A 16 7.265 -9.163 -5.918 1.00 17.22 C ATOM 261 CG GLU A 16 8.669 -8.967 -6.424 1.00 23.33 C ATOM 262 CD GLU A 16 9.225 -9.956 -7.455 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.417 -10.474 -8.230 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.455 -10.266 -7.435 1.00 28.90 O ATOM 0 H GLU A 16 4.848 -8.467 -5.261 1.00 11.04 H new ATOM 0 HA GLU A 16 7.524 -8.044 -4.068 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.187 -10.143 -5.447 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.575 -9.159 -6.762 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.727 -7.969 -6.858 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.336 -8.979 -5.562 1.00 23.33 H new ATOM 271 N VAL A 17 7.791 -5.793 -5.198 1.00 8.99 N ATOM 272 CA VAL A 17 7.764 -4.434 -5.652 1.00 8.85 C ATOM 273 C VAL A 17 9.140 -3.956 -5.594 1.00 8.04 C ATOM 274 O VAL A 17 10.039 -4.544 -4.962 1.00 8.99 O ATOM 275 CB VAL A 17 6.949 -3.437 -4.714 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.438 -3.678 -4.792 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.549 -3.424 -3.288 1.00 10.54 C ATOM 0 H VAL A 17 8.567 -6.012 -4.573 1.00 8.99 H new ATOM 0 HA VAL A 17 7.295 -4.440 -6.636 1.00 8.85 H new ATOM 0 HB VAL A 17 7.063 -2.418 -5.085 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.923 -2.976 -4.136 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.099 -3.532 -5.818 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.215 -4.698 -4.478 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.980 -2.738 -2.660 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.502 -4.427 -2.864 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.588 -3.098 -3.333 1.00 10.54 H new ATOM 287 N GLU A 18 9.457 -2.874 -6.263 1.00 7.29 N ATOM 288 CA GLU A 18 10.847 -2.359 -6.255 1.00 7.08 C ATOM 289 C GLU A 18 10.864 -1.125 -5.420 1.00 6.45 C ATOM 290 O GLU A 18 9.866 -0.382 -5.421 1.00 5.28 O ATOM 291 CB GLU A 18 11.339 -2.095 -7.708 1.00 10.28 C ATOM 292 CG GLU A 18 11.184 -3.352 -8.556 1.00 12.65 C ATOM 293 CD GLU A 18 11.904 -3.142 -9.885 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.151 -3.327 -9.957 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.267 -2.897 -10.957 1.00 14.33 O ATOM 0 H GLU A 18 8.800 -2.326 -6.818 1.00 7.29 H new ATOM 0 HA GLU A 18 11.534 -3.091 -5.829 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.769 -1.278 -8.149 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.384 -1.784 -7.695 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.600 -4.213 -8.033 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.129 -3.563 -8.728 1.00 12.65 H new ATOM 302 N PRO A 19 11.899 -0.704 -4.692 1.00 7.24 N ATOM 303 CA PRO A 19 11.856 0.513 -3.869 1.00 7.07 C ATOM 304 C PRO A 19 11.467 1.810 -4.602 1.00 6.65 C ATOM 305 O PRO A 19 10.986 2.718 -3.913 1.00 6.37 O ATOM 306 CB PRO A 19 13.173 0.554 -3.171 1.00 7.61 C ATOM 307 CG PRO A 19 14.182 -0.283 -4.010 1.00 8.16 C ATOM 308 CD PRO A 19 13.264 -1.323 -4.704 1.00 7.49 C ATOM 0 HA PRO A 19 11.031 0.461 -3.159 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.520 1.582 -3.070 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.084 0.148 -2.163 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.716 0.333 -4.734 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.933 -0.761 -3.382 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.596 -1.526 -5.722 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.271 -2.274 -4.171 1.00 7.49 H new ATOM 316 N SER A 20 11.612 1.930 -5.911 1.00 6.80 N ATOM 317 CA SER A 20 11.232 3.124 -6.762 1.00 6.28 C ATOM 318 C SER A 20 9.866 3.012 -7.349 1.00 8.45 C ATOM 319 O SER A 20 9.501 3.825 -8.186 1.00 7.26 O ATOM 320 CB SER A 20 12.227 3.241 -7.898 1.00 8.57 C ATOM 321 OG SER A 20 13.584 3.263 -7.405 1.00 11.13 O ATOM 0 H SER A 20 12.015 1.178 -6.469 1.00 6.80 H new ATOM 0 HA SER A 20 11.241 4.000 -6.114 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.100 2.403 -8.583 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.029 4.150 -8.466 1.00 8.57 H new ATOM 0 HG SER A 20 14.205 3.337 -8.159 1.00 11.13 H new ATOM 327 N ASP A 21 9.020 2.078 -6.945 1.00 7.50 N ATOM 328 CA ASP A 21 7.663 2.030 -7.288 1.00 7.70 C ATOM 329 C ASP A 21 6.928 3.110 -6.539 1.00 7.08 C ATOM 330 O ASP A 21 7.012 3.304 -5.332 1.00 8.11 O ATOM 331 CB ASP A 21 7.054 0.571 -7.094 1.00 11.00 C ATOM 332 CG ASP A 21 7.524 -0.405 -8.034 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.065 -0.073 -9.123 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.391 -1.640 -7.738 1.00 14.36 O ATOM 0 H ASP A 21 9.305 1.308 -6.340 1.00 7.50 H new ATOM 0 HA ASP A 21 7.542 2.233 -8.352 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.286 0.226 -6.086 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.968 0.633 -7.167 1.00 11.00 H new ATOM 339 N THR A 22 6.090 3.925 -7.258 1.00 5.37 N ATOM 340 CA THR A 22 5.104 4.735 -6.594 1.00 6.01 C ATOM 341 C THR A 22 4.074 3.938 -5.806 1.00 8.01 C ATOM 342 O THR A 22 3.710 2.804 -6.108 1.00 8.11 O ATOM 343 CB THR A 22 4.384 5.840 -7.344 1.00 8.92 C ATOM 344 OG1 THR A 22 3.524 5.281 -8.310 1.00 10.22 O ATOM 345 CG2 THR A 22 5.358 6.654 -8.145 1.00 9.65 C ATOM 0 H THR A 22 6.103 4.013 -8.274 1.00 5.37 H new ATOM 0 HA THR A 22 5.797 5.268 -5.942 1.00 6.01 H new ATOM 0 HB THR A 22 3.857 6.438 -6.600 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.061 5.999 -8.790 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.824 7.442 -8.676 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.094 7.102 -7.477 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.865 6.011 -8.864 1.00 9.65 H new ATOM 353 N ILE A 23 3.588 4.577 -4.737 1.00 8.32 N ATOM 354 CA ILE A 23 2.416 4.200 -3.994 1.00 9.92 C ATOM 355 C ILE A 23 1.158 3.891 -4.793 1.00 10.01 C ATOM 356 O ILE A 23 0.441 2.903 -4.515 1.00 8.71 O ATOM 357 CB ILE A 23 2.133 5.180 -2.845 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.227 5.461 -1.851 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.794 4.844 -2.016 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.884 4.245 -1.299 1.00 12.30 C ATOM 0 H ILE A 23 4.036 5.412 -4.360 1.00 8.32 H new ATOM 0 HA ILE A 23 2.689 3.228 -3.584 1.00 9.92 H new ATOM 0 HB ILE A 23 2.023 6.090 -3.435 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.984 6.083 -2.329 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.812 6.041 -1.027 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.663 5.580 -1.223 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.066 4.875 -2.685 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.877 3.849 -1.578 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.659 4.540 -0.592 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.142 3.630 -0.789 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.333 3.673 -2.111 1.00 12.30 H new ATOM 372 N GLU A 24 0.973 4.779 -5.842 1.00 9.54 N ATOM 373 CA GLU A 24 -0.095 4.498 -6.779 1.00 11.81 C ATOM 374 C GLU A 24 -0.107 3.116 -7.433 1.00 11.14 C ATOM 375 O GLU A 24 -1.070 2.415 -7.579 1.00 10.62 O ATOM 376 CB GLU A 24 -0.344 5.685 -7.770 1.00 19.24 C ATOM 377 CG GLU A 24 -1.775 5.944 -8.273 1.00 27.76 C ATOM 378 CD GLU A 24 -1.852 6.768 -9.582 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.513 6.174 -10.620 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.203 7.969 -9.543 1.00 36.51 O ATOM 0 H GLU A 24 1.522 5.620 -6.020 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.976 4.424 -6.141 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.006 6.597 -7.287 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.288 5.524 -8.643 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.271 4.986 -8.431 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.332 6.467 -7.495 1.00 27.76 H new ATOM 387 N ASN A 25 1.190 2.679 -7.716 1.00 9.43 N ATOM 388 CA ASN A 25 1.525 1.383 -8.401 1.00 10.96 C ATOM 389 C ASN A 25 1.343 0.163 -7.502 1.00 9.68 C ATOM 390 O ASN A 25 0.864 -0.858 -7.873 1.00 9.33 O ATOM 391 CB ASN A 25 2.994 1.577 -8.947 1.00 16.78 C ATOM 392 CG ASN A 25 3.432 0.663 -10.053 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.460 -0.012 -9.875 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.756 0.622 -11.220 1.00 24.70 N ATOM 0 H ASN A 25 2.016 3.224 -7.470 1.00 9.43 H new ATOM 0 HA ASN A 25 0.837 1.166 -9.218 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.093 2.605 -9.297 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.685 1.456 -8.113 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.086 0.028 -11.980 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.915 1.185 -11.342 1.00 24.70 H new ATOM 401 N VAL A 26 1.656 0.308 -6.244 1.00 6.52 N ATOM 402 CA VAL A 26 1.339 -0.696 -5.173 1.00 5.53 C ATOM 403 C VAL A 26 -0.199 -0.841 -4.890 1.00 4.42 C ATOM 404 O VAL A 26 -0.728 -1.928 -4.775 1.00 3.40 O ATOM 405 CB VAL A 26 2.126 -0.467 -3.834 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.044 -1.809 -2.981 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.580 -0.188 -4.229 1.00 8.12 C ATOM 0 H VAL A 26 2.148 1.129 -5.891 1.00 6.52 H new ATOM 0 HA VAL A 26 1.688 -1.640 -5.591 1.00 5.53 H new ATOM 0 HB VAL A 26 1.721 0.357 -3.247 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.584 -1.678 -2.043 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.001 -2.042 -2.769 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.491 -2.627 -3.546 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.175 -0.021 -3.331 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.979 -1.043 -4.775 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.621 0.698 -4.862 1.00 8.12 H new ATOM 417 N LYS A 27 -0.974 0.269 -4.862 1.00 2.64 N ATOM 418 CA LYS A 27 -2.479 0.240 -4.888 1.00 4.14 C ATOM 419 C LYS A 27 -3.050 -0.402 -6.188 1.00 5.58 C ATOM 420 O LYS A 27 -4.044 -1.104 -6.077 1.00 4.11 O ATOM 421 CB LYS A 27 -3.021 1.751 -4.668 1.00 3.97 C ATOM 422 CG LYS A 27 -2.847 2.392 -3.278 1.00 7.45 C ATOM 423 CD LYS A 27 -3.406 3.840 -3.179 1.00 9.02 C ATOM 424 CE LYS A 27 -3.128 4.503 -1.788 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.580 5.879 -1.787 1.00 15.47 N ATOM 0 H LYS A 27 -0.588 1.212 -4.821 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.833 -0.400 -4.080 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.523 2.392 -5.395 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.084 1.762 -4.909 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.346 1.769 -2.536 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.787 2.404 -3.024 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.960 4.451 -3.964 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.481 3.823 -3.360 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.639 3.945 -1.003 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.062 4.463 -1.565 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.081 6.408 -1.044 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.381 6.310 -2.712 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.603 5.908 -1.604 1.00 15.47 H new ATOM 439 N ALA A 28 -2.485 -0.202 -7.426 1.00 6.61 N ATOM 440 CA ALA A 28 -2.847 -0.866 -8.730 1.00 7.74 C ATOM 441 C ALA A 28 -2.500 -2.352 -8.636 1.00 9.17 C ATOM 442 O ALA A 28 -3.206 -3.240 -9.053 1.00 11.45 O ATOM 443 CB ALA A 28 -2.005 -0.234 -9.820 1.00 7.68 C ATOM 0 H ALA A 28 -1.722 0.464 -7.548 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.909 -0.747 -8.945 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.245 -0.695 -10.778 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.215 0.834 -9.868 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.949 -0.386 -9.598 1.00 7.68 H new ATOM 449 N LYS A 29 -1.407 -2.712 -7.942 1.00 8.96 N ATOM 450 CA LYS A 29 -1.035 -4.052 -7.704 1.00 7.90 C ATOM 451 C LYS A 29 -1.984 -4.762 -6.682 1.00 6.92 C ATOM 452 O LYS A 29 -2.355 -5.932 -6.832 1.00 6.87 O ATOM 453 CB LYS A 29 0.456 -4.148 -7.195 1.00 10.28 C ATOM 454 CG LYS A 29 1.034 -5.544 -7.232 1.00 14.94 C ATOM 455 CD LYS A 29 2.606 -5.451 -7.240 1.00 19.69 C ATOM 456 CE LYS A 29 3.175 -5.165 -8.642 1.00 22.63 C ATOM 457 NZ LYS A 29 4.660 -5.041 -8.684 1.00 24.98 N ATOM 0 H LYS A 29 -0.763 -2.034 -7.534 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.123 -4.568 -8.660 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.079 -3.493 -7.804 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.504 -3.774 -6.172 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.695 -6.114 -6.367 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.684 -6.072 -8.119 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.923 -4.664 -6.556 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.024 -6.386 -6.866 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.869 -5.965 -9.316 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.734 -4.243 -9.020 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.020 -5.477 -9.557 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.925 -4.036 -8.664 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.072 -5.524 -7.860 1.00 24.98 H new ATOM 471 N ILE A 30 -2.451 -4.024 -5.609 1.00 4.57 N ATOM 472 CA ILE A 30 -3.436 -4.459 -4.655 1.00 5.58 C ATOM 473 C ILE A 30 -4.817 -4.653 -5.285 1.00 7.26 C ATOM 474 O ILE A 30 -5.570 -5.578 -4.897 1.00 9.46 O ATOM 475 CB ILE A 30 -3.493 -3.597 -3.408 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.221 -3.864 -2.603 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.645 -3.874 -2.440 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.874 -2.826 -1.561 1.00 2.00 C ATOM 0 H ILE A 30 -2.112 -3.082 -5.416 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.099 -5.440 -4.321 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.621 -2.580 -3.779 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.323 -4.829 -2.107 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.385 -3.949 -3.297 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.577 -3.195 -1.590 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.595 -3.721 -2.952 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.585 -4.904 -2.088 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.955 -3.115 -1.051 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.732 -1.859 -2.044 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.684 -2.754 -0.836 1.00 2.00 H new ATOM 490 N GLN A 31 -5.186 -3.777 -6.247 1.00 7.06 N ATOM 491 CA GLN A 31 -6.458 -3.788 -6.912 1.00 8.67 C ATOM 492 C GLN A 31 -6.626 -5.020 -7.819 1.00 10.90 C ATOM 493 O GLN A 31 -7.748 -5.516 -8.011 1.00 9.63 O ATOM 494 CB GLN A 31 -6.467 -2.580 -7.865 1.00 9.12 C ATOM 495 CG GLN A 31 -7.877 -2.410 -8.485 1.00 10.76 C ATOM 496 CD GLN A 31 -8.037 -1.123 -9.287 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.072 -0.419 -9.551 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.264 -0.749 -9.714 1.00 14.76 N ATOM 0 H GLN A 31 -4.571 -3.031 -6.573 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.242 -3.780 -6.154 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.186 -1.676 -7.324 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.728 -2.722 -8.653 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.085 -3.261 -9.133 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.620 -2.427 -7.688 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.077 -1.327 -9.500 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.377 0.112 -10.250 1.00 14.76 H new ATOM 507 N ASP A 32 -5.506 -5.490 -8.423 1.00 10.93 N ATOM 508 CA ASP A 32 -5.537 -6.677 -9.161 1.00 14.01 C ATOM 509 C ASP A 32 -5.880 -7.841 -8.274 1.00 14.04 C ATOM 510 O ASP A 32 -6.618 -8.730 -8.641 1.00 13.39 O ATOM 511 CB ASP A 32 -4.199 -6.944 -9.861 1.00 18.01 C ATOM 512 CG ASP A 32 -3.956 -8.279 -10.663 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.754 -8.556 -11.560 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.939 -8.955 -10.251 1.00 25.17 O ATOM 0 H ASP A 32 -4.595 -5.032 -8.386 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.306 -6.562 -9.925 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.031 -6.120 -10.554 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.422 -6.883 -9.099 1.00 18.01 H new ATOM 519 N LYS A 33 -5.296 -7.982 -7.118 1.00 14.22 N ATOM 520 CA LYS A 33 -5.648 -9.050 -6.154 1.00 14.00 C ATOM 521 C LYS A 33 -6.979 -8.884 -5.399 1.00 12.37 C ATOM 522 O LYS A 33 -7.882 -9.739 -5.479 1.00 12.17 O ATOM 523 CB LYS A 33 -4.566 -8.903 -5.034 1.00 18.62 C ATOM 524 CG LYS A 33 -3.166 -9.432 -5.418 1.00 24.00 C ATOM 525 CD LYS A 33 -2.931 -10.961 -5.260 1.00 27.61 C ATOM 526 CE LYS A 33 -1.555 -11.446 -5.188 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.476 -12.881 -4.931 1.00 30.06 N ATOM 0 H LYS A 33 -4.552 -7.366 -6.791 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.713 -9.982 -6.715 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.481 -7.850 -4.765 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.908 -9.432 -4.145 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.974 -9.164 -6.457 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.426 -8.909 -4.811 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.445 -11.285 -4.355 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.416 -11.460 -6.099 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.045 -11.220 -6.125 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.026 -10.910 -4.400 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.478 -13.172 -4.890 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.938 -13.097 -4.024 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.956 -13.398 -5.696 1.00 30.06 H new ATOM 541 N GLU A 34 -7.182 -7.775 -4.668 1.00 10.11 N ATOM 542 CA GLU A 34 -8.255 -7.658 -3.751 1.00 10.07 C ATOM 543 C GLU A 34 -9.429 -6.820 -4.244 1.00 9.32 C ATOM 544 O GLU A 34 -10.511 -6.600 -3.645 1.00 11.61 O ATOM 545 CB GLU A 34 -7.744 -6.962 -2.396 1.00 14.77 C ATOM 546 CG GLU A 34 -6.615 -7.782 -1.795 1.00 18.75 C ATOM 547 CD GLU A 34 -7.103 -9.237 -1.438 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.934 -9.311 -0.467 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.517 -10.208 -1.986 1.00 25.19 O ATOM 0 H GLU A 34 -6.587 -6.948 -4.720 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.602 -8.681 -3.606 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.400 -5.949 -2.603 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.566 -6.881 -1.685 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.785 -7.835 -2.499 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.241 -7.290 -0.898 1.00 18.75 H new ATOM 556 N GLY A 35 -9.353 -6.307 -5.493 1.00 7.22 N ATOM 557 CA GLY A 35 -10.462 -5.680 -6.262 1.00 6.29 C ATOM 558 C GLY A 35 -10.751 -4.305 -5.786 1.00 6.93 C ATOM 559 O GLY A 35 -11.709 -3.712 -6.261 1.00 7.41 O ATOM 0 H GLY A 35 -8.480 -6.317 -6.020 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.201 -5.651 -7.320 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.359 -6.292 -6.172 1.00 6.29 H new ATOM 563 N ILE A 36 -9.909 -3.798 -4.849 1.00 5.86 N ATOM 564 CA ILE A 36 -10.073 -2.454 -4.227 1.00 6.07 C ATOM 565 C ILE A 36 -9.531 -1.331 -5.066 1.00 6.36 C ATOM 566 O ILE A 36 -8.338 -1.386 -5.399 1.00 6.18 O ATOM 567 CB ILE A 36 -9.372 -2.307 -2.817 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.592 -3.540 -1.862 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.881 -0.932 -2.244 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.520 -3.657 -0.792 1.00 9.49 C ATOM 0 H ILE A 36 -9.097 -4.308 -4.502 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.156 -2.381 -4.127 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.286 -2.304 -2.911 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.568 -3.453 -1.384 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.608 -4.454 -2.455 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.436 -0.759 -1.264 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.593 -0.127 -2.920 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.967 -0.956 -2.151 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.725 -4.525 -0.165 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.545 -3.773 -1.265 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.520 -2.757 -0.177 1.00 9.49 H new ATOM 582 N PRO A 37 -10.213 -0.334 -5.582 1.00 8.65 N ATOM 583 CA PRO A 37 -9.634 0.743 -6.435 1.00 9.18 C ATOM 584 C PRO A 37 -8.747 1.658 -5.601 1.00 9.85 C ATOM 585 O PRO A 37 -9.132 1.763 -4.448 1.00 8.51 O ATOM 586 CB PRO A 37 -10.920 1.408 -6.923 1.00 11.42 C ATOM 587 CG PRO A 37 -11.936 1.278 -5.753 1.00 9.27 C ATOM 588 CD PRO A 37 -11.670 -0.100 -5.319 1.00 8.33 C ATOM 0 HA PRO A 37 -8.978 0.425 -7.246 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.747 2.454 -7.176 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.295 0.920 -7.823 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.752 2.005 -4.962 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.966 1.418 -6.081 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.903 -0.229 -4.262 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.286 -0.810 -5.870 1.00 8.33 H new ATOM 596 N PRO A 38 -7.671 2.348 -5.995 1.00 8.71 N ATOM 597 CA PRO A 38 -6.851 3.255 -5.161 1.00 9.08 C ATOM 598 C PRO A 38 -7.658 4.338 -4.348 1.00 9.28 C ATOM 599 O PRO A 38 -7.236 4.726 -3.269 1.00 6.50 O ATOM 600 CB PRO A 38 -5.767 3.741 -6.162 1.00 10.31 C ATOM 601 CG PRO A 38 -5.657 2.600 -7.149 1.00 10.81 C ATOM 602 CD PRO A 38 -7.027 1.984 -7.290 1.00 12.00 C ATOM 0 HA PRO A 38 -6.392 2.772 -4.298 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.062 4.669 -6.653 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.817 3.932 -5.663 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.299 2.961 -8.113 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.938 1.859 -6.799 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.570 2.390 -8.143 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.975 0.904 -7.430 1.00 12.00 H new ATOM 610 N ASP A 39 -8.783 4.763 -4.889 1.00 11.20 N ATOM 611 CA ASP A 39 -9.861 5.527 -4.338 1.00 14.96 C ATOM 612 C ASP A 39 -10.262 5.038 -2.957 1.00 13.99 C ATOM 613 O ASP A 39 -10.569 5.902 -2.128 1.00 13.75 O ATOM 614 CB ASP A 39 -11.136 5.456 -5.299 1.00 24.16 C ATOM 615 CG ASP A 39 -10.810 5.890 -6.711 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.065 5.172 -7.430 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.266 6.991 -7.169 1.00 35.55 O ATOM 0 H ASP A 39 -8.978 4.542 -5.866 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.508 6.555 -4.250 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.522 4.437 -5.314 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.927 6.091 -4.899 1.00 24.16 H new ATOM 622 N GLN A 40 -10.324 3.713 -2.738 1.00 11.60 N ATOM 623 CA GLN A 40 -10.913 3.135 -1.519 1.00 10.76 C ATOM 624 C GLN A 40 -9.736 2.659 -0.675 1.00 8.01 C ATOM 625 O GLN A 40 -9.935 1.963 0.257 1.00 8.96 O ATOM 626 CB GLN A 40 -11.921 1.990 -1.692 1.00 11.14 C ATOM 627 CG GLN A 40 -13.235 2.541 -2.348 1.00 14.85 C ATOM 628 CD GLN A 40 -14.156 1.434 -2.748 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.169 0.337 -2.213 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.949 1.645 -3.823 1.00 18.16 N ATOM 0 H GLN A 40 -9.970 3.018 -3.396 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.520 3.918 -1.064 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.492 1.206 -2.316 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.146 1.541 -0.725 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.743 3.202 -1.646 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.982 3.139 -3.223 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.952 2.555 -4.284 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.544 0.894 -4.173 1.00 18.16 H new ATOM 639 N GLN A 41 -8.498 3.115 -0.946 1.00 6.52 N ATOM 640 CA GLN A 41 -7.300 2.691 -0.222 1.00 3.87 C ATOM 641 C GLN A 41 -6.520 3.773 0.541 1.00 4.79 C ATOM 642 O GLN A 41 -6.318 4.832 -0.018 1.00 6.34 O ATOM 643 CB GLN A 41 -6.300 1.976 -1.173 1.00 4.20 C ATOM 644 CG GLN A 41 -6.799 0.729 -1.933 1.00 3.20 C ATOM 645 CD GLN A 41 -5.620 -0.051 -2.528 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.542 -0.295 -1.978 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.911 -0.497 -3.782 1.00 7.13 N ATOM 0 H GLN A 41 -8.307 3.795 -1.682 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.713 2.027 0.537 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.959 2.704 -1.910 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.429 1.685 -0.586 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.363 0.086 -1.257 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.481 1.030 -2.728 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.812 -0.276 -4.205 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.228 -1.052 -4.297 1.00 7.13 H new ATOM 656 N ARG A 42 -6.266 3.487 1.814 1.00 5.73 N ATOM 657 CA ARG A 42 -5.370 4.212 2.681 1.00 6.97 C ATOM 658 C ARG A 42 -4.350 3.232 3.162 1.00 7.15 C ATOM 659 O ARG A 42 -4.612 2.476 4.086 1.00 7.33 O ATOM 660 CB ARG A 42 -6.025 4.963 3.806 1.00 13.23 C ATOM 661 CG ARG A 42 -6.740 6.274 3.361 1.00 21.27 C ATOM 662 CD ARG A 42 -7.692 6.843 4.384 1.00 26.14 C ATOM 663 NE ARG A 42 -8.159 8.158 3.903 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.392 8.640 4.257 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.215 7.929 4.989 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.660 9.902 3.858 1.00 36.39 N ATOM 0 H ARG A 42 -6.709 2.698 2.285 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.912 5.018 2.107 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.752 4.311 4.290 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.270 5.208 4.553 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.984 7.025 3.129 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.290 6.079 2.440 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.537 6.171 4.531 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.195 6.946 5.349 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.556 8.716 3.299 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.942 6.999 5.306 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.128 8.306 5.242 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.964 10.428 3.330 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.558 10.329 4.085 1.00 36.39 H new ATOM 680 N LEU A 43 -3.099 3.364 2.691 1.00 4.65 N ATOM 681 CA LEU A 43 -1.968 2.592 3.143 1.00 3.51 C ATOM 682 C LEU A 43 -1.174 3.302 4.272 1.00 5.56 C ATOM 683 O LEU A 43 -0.842 4.491 4.175 1.00 4.19 O ATOM 684 CB LEU A 43 -1.052 2.198 2.031 1.00 3.74 C ATOM 685 CG LEU A 43 -1.608 1.223 0.975 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.784 1.352 -0.338 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.591 -0.269 1.461 1.00 6.41 C ATOM 0 H LEU A 43 -2.857 4.036 1.963 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.395 1.679 3.557 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.732 3.105 1.518 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.161 1.749 2.470 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.649 1.495 0.801 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.178 0.662 -1.084 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.856 2.373 -0.714 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.260 1.112 -0.137 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.993 -0.911 0.678 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.567 -0.567 1.684 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.201 -0.366 2.359 1.00 6.41 H new ATOM 699 N ILE A 44 -0.919 2.663 5.440 1.00 4.58 N ATOM 700 CA ILE A 44 -0.249 3.320 6.549 1.00 5.55 C ATOM 701 C ILE A 44 1.071 2.547 6.770 1.00 5.46 C ATOM 702 O ILE A 44 1.135 1.310 6.940 1.00 6.04 O ATOM 703 CB ILE A 44 -1.062 3.423 7.844 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.249 4.359 7.716 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.136 3.834 9.071 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.176 4.587 8.937 1.00 13.90 C ATOM 0 H ILE A 44 -1.174 1.692 5.622 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.087 4.365 6.284 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.467 2.430 8.038 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.866 5.333 7.411 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.869 3.990 6.899 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.739 3.900 9.976 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.642 3.083 9.207 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.325 4.801 8.871 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.970 5.283 8.666 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.615 3.637 9.243 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.596 5.001 9.762 1.00 13.90 H new ATOM 718 N PHE A 45 2.244 3.233 6.860 1.00 6.75 N ATOM 719 CA PHE A 45 3.448 2.636 7.311 1.00 4.70 C ATOM 720 C PHE A 45 4.163 3.795 8.016 1.00 6.34 C ATOM 721 O PHE A 45 4.135 4.924 7.569 1.00 5.45 O ATOM 722 CB PHE A 45 4.183 2.017 6.073 1.00 5.51 C ATOM 723 CG PHE A 45 5.485 1.454 6.378 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.686 0.140 6.864 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.629 2.206 6.123 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.921 -0.373 7.125 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.902 1.721 6.391 1.00 6.64 C ATOM 728 CZ PHE A 45 8.049 0.433 6.907 1.00 6.84 C ATOM 0 H PHE A 45 2.339 4.218 6.611 1.00 6.75 H new ATOM 0 HA PHE A 45 3.356 1.800 8.004 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.554 1.238 5.643 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.302 2.788 5.312 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.822 -0.484 7.036 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.523 3.196 5.704 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.030 -1.382 7.493 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.770 2.335 6.202 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.034 0.055 7.139 1.00 6.84 H new ATOM 738 N ALA A 46 4.945 3.478 9.044 1.00 6.53 N ATOM 739 CA ALA A 46 5.911 4.181 9.817 1.00 7.15 C ATOM 740 C ALA A 46 5.287 5.452 10.492 1.00 9.00 C ATOM 741 O ALA A 46 5.903 6.455 10.722 1.00 11.15 O ATOM 742 CB ALA A 46 7.138 4.575 9.008 1.00 8.99 C ATOM 0 H ALA A 46 4.881 2.526 9.403 1.00 6.53 H new ATOM 0 HA ALA A 46 6.236 3.488 10.593 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.840 5.108 9.649 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.616 3.679 8.612 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.838 5.221 8.183 1.00 8.99 H new ATOM 748 N GLY A 47 4.005 5.326 10.845 1.00 9.35 N ATOM 749 CA GLY A 47 3.091 6.297 11.398 1.00 11.68 C ATOM 750 C GLY A 47 2.465 7.131 10.318 1.00 11.14 C ATOM 751 O GLY A 47 1.717 8.005 10.680 1.00 13.93 O ATOM 0 H GLY A 47 3.539 4.426 10.731 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.312 5.786 11.964 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.622 6.942 12.098 1.00 11.68 H new ATOM 755 N LYS A 48 2.772 6.930 8.999 1.00 10.47 N ATOM 756 CA LYS A 48 2.324 7.855 7.929 1.00 8.82 C ATOM 757 C LYS A 48 1.415 7.240 6.939 1.00 7.68 C ATOM 758 O LYS A 48 1.466 5.996 6.721 1.00 6.47 O ATOM 759 CB LYS A 48 3.602 8.447 7.283 1.00 9.74 C ATOM 760 CG LYS A 48 4.390 9.369 8.200 1.00 14.14 C ATOM 761 CD LYS A 48 5.824 9.650 7.669 1.00 16.32 C ATOM 762 CE LYS A 48 6.735 8.479 8.005 1.00 20.04 C ATOM 763 NZ LYS A 48 8.219 8.739 7.826 1.00 23.92 N ATOM 0 H LYS A 48 3.323 6.141 8.662 1.00 10.47 H new ATOM 0 HA LYS A 48 1.711 8.643 8.367 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.248 7.629 6.965 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.321 8.998 6.386 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.855 10.312 8.309 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.454 8.922 9.192 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.799 9.805 6.590 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.214 10.566 8.114 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.557 8.187 9.040 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.454 7.631 7.381 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.754 7.884 8.079 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.411 8.986 6.834 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.510 9.525 8.442 1.00 23.92 H new ATOM 777 N GLN A 49 0.548 8.032 6.296 1.00 8.89 N ATOM 778 CA GLN A 49 -0.353 7.614 5.287 1.00 7.18 C ATOM 779 C GLN A 49 0.286 7.888 4.004 1.00 8.23 C ATOM 780 O GLN A 49 0.895 8.940 3.797 1.00 9.70 O ATOM 781 CB GLN A 49 -1.708 8.284 5.478 1.00 11.67 C ATOM 782 CG GLN A 49 -2.822 7.689 4.641 1.00 15.82 C ATOM 783 CD GLN A 49 -4.204 8.259 5.158 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.874 7.617 6.020 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.625 9.419 4.790 1.00 20.67 N ATOM 0 H GLN A 49 0.475 9.029 6.498 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.567 6.546 5.335 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.986 8.221 6.530 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.614 9.343 5.236 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.680 7.939 3.590 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.810 6.602 4.714 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.102 9.955 4.097 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.481 9.802 5.191 1.00 20.67 H new ATOM 794 N LEU A 50 0.341 6.821 3.148 1.00 6.51 N ATOM 795 CA LEU A 50 1.255 6.860 2.054 1.00 7.41 C ATOM 796 C LEU A 50 0.691 7.562 0.849 1.00 8.27 C ATOM 797 O LEU A 50 -0.376 7.237 0.324 1.00 8.34 O ATOM 798 CB LEU A 50 1.709 5.459 1.672 1.00 7.13 C ATOM 799 CG LEU A 50 2.228 4.563 2.878 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.774 3.157 2.411 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.289 5.252 3.793 1.00 9.11 C ATOM 0 H LEU A 50 -0.226 5.976 3.221 1.00 6.51 H new ATOM 0 HA LEU A 50 2.115 7.437 2.395 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.878 4.944 1.189 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.506 5.542 0.933 1.00 7.13 H new ATOM 0 HG LEU A 50 1.331 4.416 3.479 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.114 2.592 3.279 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.979 2.607 1.908 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.607 3.300 1.723 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.584 4.567 4.587 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.164 5.518 3.199 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.861 6.153 4.232 1.00 9.11 H new ATOM 813 N GLU A 51 1.352 8.600 0.305 1.00 9.43 N ATOM 814 CA GLU A 51 0.862 9.537 -0.746 1.00 11.90 C ATOM 815 C GLU A 51 1.215 9.029 -2.102 1.00 11.49 C ATOM 816 O GLU A 51 2.370 8.656 -2.404 1.00 9.88 O ATOM 817 CB GLU A 51 1.332 11.008 -0.517 1.00 16.56 C ATOM 818 CG GLU A 51 0.649 11.988 -1.432 1.00 26.06 C ATOM 819 CD GLU A 51 1.038 13.442 -1.235 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.075 13.642 -0.493 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.440 14.299 -1.952 1.00 33.44 O ATOM 0 H GLU A 51 2.301 8.829 0.599 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.225 9.571 -0.673 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.139 11.289 0.518 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.410 11.068 -0.668 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.865 11.708 -2.463 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.429 11.896 -1.296 1.00 26.06 H new ATOM 828 N ASP A 52 0.217 8.885 -2.997 1.00 12.71 N ATOM 829 CA ASP A 52 0.311 8.197 -4.251 1.00 16.56 C ATOM 830 C ASP A 52 1.414 8.526 -5.220 1.00 15.83 C ATOM 831 O ASP A 52 1.952 7.649 -5.830 1.00 17.21 O ATOM 832 CB ASP A 52 -0.976 8.411 -5.072 1.00 21.05 C ATOM 833 CG ASP A 52 -2.152 8.090 -4.186 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.441 6.891 -3.988 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.767 9.046 -3.645 1.00 28.37 O ATOM 0 H ASP A 52 -0.712 9.273 -2.834 1.00 12.71 H new ATOM 0 HA ASP A 52 0.512 7.189 -3.888 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.035 9.440 -5.426 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.977 7.770 -5.954 1.00 21.05 H new ATOM 840 N GLY A 53 1.694 9.845 -5.416 1.00 15.00 N ATOM 841 CA GLY A 53 2.805 10.156 -6.314 1.00 11.77 C ATOM 842 C GLY A 53 4.143 10.012 -5.758 1.00 11.10 C ATOM 843 O GLY A 53 5.061 10.091 -6.556 1.00 11.25 O ATOM 0 H GLY A 53 1.206 10.637 -4.999 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.727 9.512 -7.190 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.687 11.182 -6.661 1.00 11.77 H new ATOM 847 N ARG A 54 4.318 9.748 -4.427 1.00 8.53 N ATOM 848 CA ARG A 54 5.581 9.487 -3.836 1.00 9.05 C ATOM 849 C ARG A 54 6.009 8.002 -4.028 1.00 8.96 C ATOM 850 O ARG A 54 5.214 7.111 -4.369 1.00 11.60 O ATOM 851 CB ARG A 54 5.575 9.843 -2.328 1.00 7.97 C ATOM 852 CG ARG A 54 5.003 11.317 -2.256 1.00 9.62 C ATOM 853 CD ARG A 54 5.275 12.111 -0.976 1.00 12.20 C ATOM 854 NE ARG A 54 4.774 13.547 -1.144 1.00 18.23 N ATOM 855 CZ ARG A 54 5.604 14.626 -1.092 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.936 14.491 -1.169 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.140 15.893 -0.918 1.00 23.38 N ATOM 0 H ARG A 54 3.545 9.720 -3.762 1.00 8.53 H new ATOM 0 HA ARG A 54 6.308 10.120 -4.345 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.953 9.150 -1.762 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.578 9.788 -1.906 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.412 11.879 -3.096 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.924 11.268 -2.400 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.776 11.638 -0.130 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.343 12.111 -0.757 1.00 12.20 H new ATOM 0 HE ARG A 54 3.778 13.703 -1.301 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.350 13.564 -1.269 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.535 15.315 -1.128 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.139 16.061 -0.821 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.794 16.675 -0.884 1.00 23.38 H new ATOM 871 N THR A 55 7.307 7.742 -3.895 1.00 9.05 N ATOM 872 CA THR A 55 7.880 6.364 -4.033 1.00 9.03 C ATOM 873 C THR A 55 7.967 5.641 -2.717 1.00 8.15 C ATOM 874 O THR A 55 7.946 6.251 -1.659 1.00 5.91 O ATOM 875 CB THR A 55 9.221 6.296 -4.867 1.00 11.15 C ATOM 876 OG1 THR A 55 10.344 6.504 -4.047 1.00 11.95 O ATOM 877 CG2 THR A 55 9.181 7.193 -6.120 1.00 11.71 C ATOM 0 H THR A 55 8.003 8.459 -3.690 1.00 9.05 H new ATOM 0 HA THR A 55 7.157 5.818 -4.639 1.00 9.03 H new ATOM 0 HB THR A 55 9.320 5.283 -5.258 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.309 7.406 -3.667 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.126 7.110 -6.657 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.365 6.875 -6.769 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.024 8.229 -5.821 1.00 11.71 H new ATOM 885 N LEU A 56 8.090 4.310 -2.782 1.00 6.91 N ATOM 886 CA LEU A 56 8.165 3.487 -1.595 1.00 8.29 C ATOM 887 C LEU A 56 9.451 3.870 -0.805 1.00 8.05 C ATOM 888 O LEU A 56 9.489 3.819 0.395 1.00 10.17 O ATOM 889 CB LEU A 56 8.258 2.033 -2.004 1.00 6.60 C ATOM 890 CG LEU A 56 6.956 1.334 -2.509 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.321 0.077 -3.248 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.098 1.049 -1.304 1.00 8.64 C ATOM 0 H LEU A 56 8.139 3.788 -3.657 1.00 6.91 H new ATOM 0 HA LEU A 56 7.280 3.641 -0.977 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.008 1.954 -2.791 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.632 1.468 -1.150 1.00 6.60 H new ATOM 0 HG LEU A 56 6.401 1.967 -3.201 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.414 -0.413 -3.602 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.954 0.326 -4.099 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.859 -0.595 -2.579 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.177 0.559 -1.621 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.639 0.397 -0.618 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.856 1.985 -0.800 1.00 8.64 H new ATOM 904 N SER A 57 10.495 4.333 -1.444 1.00 8.92 N ATOM 905 CA SER A 57 11.748 4.678 -0.881 1.00 9.00 C ATOM 906 C SER A 57 11.696 6.024 -0.274 1.00 9.44 C ATOM 907 O SER A 57 12.475 6.355 0.584 1.00 10.91 O ATOM 908 CB SER A 57 13.006 4.489 -1.774 1.00 10.32 C ATOM 909 OG SER A 57 13.209 5.480 -2.806 1.00 13.59 O ATOM 0 H SER A 57 10.475 4.486 -2.452 1.00 8.92 H new ATOM 0 HA SER A 57 11.900 3.925 -0.107 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.885 4.480 -1.130 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.947 3.509 -2.247 1.00 10.32 H new ATOM 0 HG SER A 57 12.341 5.767 -3.159 1.00 13.59 H new ATOM 915 N ASP A 58 10.819 6.890 -0.663 1.00 9.11 N ATOM 916 CA ASP A 58 10.596 8.197 0.025 1.00 7.91 C ATOM 917 C ASP A 58 10.191 7.998 1.457 1.00 9.12 C ATOM 918 O ASP A 58 10.546 8.839 2.258 1.00 8.61 O ATOM 919 CB ASP A 58 9.579 9.161 -0.628 1.00 8.41 C ATOM 920 CG ASP A 58 10.145 9.650 -1.964 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.918 8.952 -2.992 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.730 10.761 -2.026 1.00 10.05 O ATOM 0 H ASP A 58 10.213 6.745 -1.470 1.00 9.11 H new ATOM 0 HA ASP A 58 11.570 8.678 -0.064 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.627 8.654 -0.785 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.385 10.007 0.031 1.00 8.41 H new ATOM 927 N TYR A 59 9.371 6.950 1.764 1.00 7.97 N ATOM 928 CA TYR A 59 8.954 6.493 3.121 1.00 8.45 C ATOM 929 C TYR A 59 9.889 5.388 3.694 1.00 10.98 C ATOM 930 O TYR A 59 9.624 4.853 4.805 1.00 12.95 O ATOM 931 CB TYR A 59 7.584 5.718 2.899 1.00 7.94 C ATOM 932 CG TYR A 59 6.525 6.705 2.514 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.020 7.528 3.485 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.979 6.833 1.208 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.077 8.530 3.203 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.977 7.777 0.890 1.00 6.52 C ATOM 937 CZ TYR A 59 4.563 8.661 1.902 1.00 6.76 C ATOM 938 OH TYR A 59 3.587 9.634 1.792 1.00 7.63 O ATOM 0 H TYR A 59 8.962 6.371 1.030 1.00 7.97 H new ATOM 0 HA TYR A 59 8.936 7.359 3.783 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.699 4.965 2.119 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.296 5.192 3.810 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.359 7.402 4.503 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.345 6.183 0.427 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.748 9.198 3.985 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.543 7.818 -0.098 1.00 6.52 H new ATOM 0 HH TYR A 59 4.005 10.493 1.574 1.00 7.63 H new ATOM 948 N ASN A 60 11.048 5.067 3.062 1.00 12.38 N ATOM 949 CA ASN A 60 12.049 4.046 3.436 1.00 13.94 C ATOM 950 C ASN A 60 11.456 2.676 3.779 1.00 14.16 C ATOM 951 O ASN A 60 11.853 2.001 4.716 1.00 14.26 O ATOM 952 CB ASN A 60 12.990 4.582 4.555 1.00 19.23 C ATOM 953 CG ASN A 60 13.818 5.745 3.950 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.595 6.952 4.145 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.828 5.425 3.113 1.00 24.09 N ATOM 0 H ASN A 60 11.324 5.557 2.211 1.00 12.38 H new ATOM 0 HA ASN A 60 12.646 3.864 2.542 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.410 4.929 5.410 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.647 3.790 4.915 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.375 6.162 2.668 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.044 4.446 2.926 1.00 24.09 H new ATOM 962 N ILE A 61 10.427 2.267 3.048 1.00 11.08 N ATOM 963 CA ILE A 61 9.981 0.885 3.053 1.00 11.78 C ATOM 964 C ILE A 61 11.053 0.019 2.411 1.00 13.74 C ATOM 965 O ILE A 61 11.749 0.415 1.483 1.00 14.60 O ATOM 966 CB ILE A 61 8.635 0.871 2.306 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.545 1.701 3.012 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.040 -0.495 1.996 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.509 2.359 2.001 1.00 11.42 C ATOM 0 H ILE A 61 9.884 2.880 2.440 1.00 11.08 H new ATOM 0 HA ILE A 61 9.830 0.476 4.052 1.00 11.78 H new ATOM 0 HB ILE A 61 8.923 1.321 1.356 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.005 1.062 3.711 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.019 2.487 3.600 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.094 -0.369 1.469 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.731 -1.060 1.370 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.868 -1.036 2.926 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.767 2.930 2.560 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.039 3.023 1.318 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.010 1.576 1.431 1.00 11.42 H new ATOM 981 N GLN A 62 11.137 -1.232 2.858 1.00 13.97 N ATOM 982 CA GLN A 62 12.302 -2.053 2.518 1.00 15.52 C ATOM 983 C GLN A 62 11.823 -3.502 2.454 1.00 13.94 C ATOM 984 O GLN A 62 10.698 -3.860 2.745 1.00 12.15 O ATOM 985 CB GLN A 62 13.479 -1.910 3.495 1.00 19.53 C ATOM 986 CG GLN A 62 13.110 -2.258 4.910 1.00 26.38 C ATOM 987 CD GLN A 62 14.062 -1.731 6.019 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.677 -0.976 6.908 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.343 -2.190 6.011 1.00 32.71 N ATOM 0 H GLN A 62 10.436 -1.691 3.440 1.00 13.97 H new ATOM 0 HA GLN A 62 12.699 -1.711 1.562 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.296 -2.554 3.169 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.849 -0.885 3.463 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.109 -1.874 5.107 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.056 -3.344 4.993 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.656 -2.817 5.269 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.991 -1.907 6.747 1.00 32.71 H new ATOM 998 N LYS A 63 12.699 -4.408 2.025 1.00 11.73 N ATOM 999 CA LYS A 63 12.650 -5.874 1.995 1.00 11.97 C ATOM 1000 C LYS A 63 11.916 -6.446 3.186 1.00 10.41 C ATOM 1001 O LYS A 63 12.316 -6.279 4.341 1.00 9.59 O ATOM 1002 CB LYS A 63 14.072 -6.485 1.952 1.00 13.73 C ATOM 1003 CG LYS A 63 14.148 -8.031 1.961 1.00 16.98 C ATOM 1004 CD LYS A 63 15.553 -8.591 1.629 1.00 20.19 C ATOM 1005 CE LYS A 63 15.804 -9.998 2.141 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.096 -10.528 1.723 1.00 25.97 N ATOM 0 H LYS A 63 13.585 -4.087 1.635 1.00 11.73 H new ATOM 0 HA LYS A 63 12.108 -6.137 1.087 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.575 -6.122 1.056 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.633 -6.109 2.807 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.845 -8.394 2.943 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.431 -8.425 1.241 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.688 -8.581 0.547 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.305 -7.924 2.050 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.751 -9.999 3.230 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.013 -10.657 1.783 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.215 -11.490 2.100 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.140 -10.555 0.684 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.856 -9.918 2.086 1.00 25.97 H new ATOM 1020 N GLU A 64 10.913 -7.221 2.947 1.00 10.04 N ATOM 1021 CA GLU A 64 10.158 -8.018 3.971 1.00 10.94 C ATOM 1022 C GLU A 64 9.413 -7.072 4.954 1.00 9.74 C ATOM 1023 O GLU A 64 9.408 -7.275 6.185 1.00 9.42 O ATOM 1024 CB GLU A 64 11.050 -9.126 4.617 1.00 18.31 C ATOM 1025 CG GLU A 64 10.383 -10.029 5.645 1.00 24.16 C ATOM 1026 CD GLU A 64 11.228 -11.331 5.856 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.376 -12.203 4.929 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.943 -11.359 6.888 1.00 32.61 O ATOM 0 H GLU A 64 10.547 -7.352 2.004 1.00 10.04 H new ATOM 0 HA GLU A 64 9.367 -8.590 3.487 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.444 -9.754 3.818 1.00 18.31 H new ATOM 0 HB3 GLU A 64 11.903 -8.642 5.092 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.278 -9.498 6.591 1.00 24.16 H new ATOM 0 HG3 GLU A 64 9.378 -10.290 5.312 1.00 24.16 H new ATOM 1035 N SER A 65 8.863 -5.944 4.432 1.00 6.85 N ATOM 1036 CA SER A 65 8.023 -4.998 5.240 1.00 6.90 C ATOM 1037 C SER A 65 6.544 -5.103 5.137 1.00 4.72 C ATOM 1038 O SER A 65 5.960 -5.290 4.064 1.00 3.91 O ATOM 1039 CB SER A 65 8.202 -3.483 4.875 1.00 7.28 C ATOM 1040 OG SER A 65 9.570 -3.079 4.905 1.00 10.56 O ATOM 0 H SER A 65 8.981 -5.662 3.459 1.00 6.85 H new ATOM 0 HA SER A 65 8.397 -5.306 6.217 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.793 -3.300 3.882 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.629 -2.873 5.573 1.00 7.28 H new ATOM 0 HG SER A 65 10.083 -3.612 4.262 1.00 10.56 H new ATOM 1046 N THR A 66 5.845 -5.015 6.302 1.00 4.48 N ATOM 1047 CA THR A 66 4.421 -5.161 6.453 1.00 3.80 C ATOM 1048 C THR A 66 3.816 -3.807 6.295 1.00 4.60 C ATOM 1049 O THR A 66 4.086 -2.854 7.028 1.00 5.33 O ATOM 1050 CB THR A 66 4.020 -5.847 7.805 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.329 -7.231 7.809 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.489 -5.741 8.048 1.00 3.40 C ATOM 0 H THR A 66 6.310 -4.830 7.191 1.00 4.48 H new ATOM 0 HA THR A 66 4.035 -5.834 5.687 1.00 3.80 H new ATOM 0 HB THR A 66 4.584 -5.328 8.580 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.066 -7.622 8.668 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.236 -6.224 8.992 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.199 -4.691 8.089 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.956 -6.233 7.234 1.00 3.40 H new ATOM 1060 N LEU A 67 2.891 -3.671 5.269 1.00 4.17 N ATOM 1061 CA LEU A 67 2.213 -2.440 4.859 1.00 3.85 C ATOM 1062 C LEU A 67 0.788 -2.662 5.291 1.00 3.80 C ATOM 1063 O LEU A 67 0.142 -3.667 4.948 1.00 5.54 O ATOM 1064 CB LEU A 67 2.349 -2.227 3.330 1.00 7.18 C ATOM 1065 CG LEU A 67 3.786 -1.977 2.922 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.866 -1.557 1.417 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.550 -0.917 3.679 1.00 11.66 C ATOM 0 H LEU A 67 2.608 -4.470 4.701 1.00 4.17 H new ATOM 0 HA LEU A 67 2.633 -1.538 5.304 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.970 -3.104 2.806 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.732 -1.382 3.025 1.00 7.18 H new ATOM 0 HG LEU A 67 4.252 -2.936 3.150 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.906 -1.382 1.143 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.456 -2.353 0.795 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.292 -0.644 1.263 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.563 -0.845 3.282 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.047 0.044 3.567 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.592 -1.183 4.735 1.00 11.66 H new ATOM 1079 N HIS A 68 0.211 -1.730 6.084 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.160 -1.751 6.595 1.00 4.17 C ATOM 1081 C HIS A 68 -2.073 -1.099 5.612 1.00 5.32 C ATOM 1082 O HIS A 68 -1.771 -0.030 5.116 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.339 -0.988 7.999 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.287 -1.367 8.983 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.896 -0.785 9.099 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.349 -2.400 9.842 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.604 -1.514 10.042 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.884 -2.492 10.497 1.00 16.30 N ATOM 0 H HIS A 68 0.724 -0.905 6.395 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.402 -2.803 6.748 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.307 0.089 7.832 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.321 -1.218 8.413 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.223 0.039 8.594 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.201 -3.045 9.999 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.615 -1.297 10.354 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.187 -1.775 5.299 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.160 -1.252 4.371 1.00 3.97 C ATOM 1098 C LEU A 69 -5.432 -0.933 5.085 1.00 5.07 C ATOM 1099 O LEU A 69 -5.960 -1.855 5.710 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.463 -2.323 3.300 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.476 -1.884 2.229 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.262 -0.522 1.603 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.514 -3.018 1.149 1.00 9.96 C ATOM 0 H LEU A 69 -3.424 -2.689 5.685 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.759 -0.348 3.912 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.531 -2.601 2.808 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.841 -3.217 3.795 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.434 -1.748 2.731 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.042 -0.334 0.866 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.302 0.244 2.377 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.288 -0.495 1.115 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.222 -2.750 0.365 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.522 -3.141 0.715 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.825 -3.953 1.614 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.918 0.280 5.069 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.144 0.719 5.622 1.00 6.26 C ATOM 1117 C VAL A 70 -8.053 1.130 4.493 1.00 9.22 C ATOM 1118 O VAL A 70 -7.635 1.634 3.469 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.901 1.863 6.621 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.210 2.344 7.225 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.024 1.465 7.827 1.00 8.54 C ATOM 0 H VAL A 70 -5.409 1.044 4.625 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.623 -0.085 6.181 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.397 2.628 6.030 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.011 3.153 7.928 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.865 2.705 6.432 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.694 1.519 7.748 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.899 2.325 8.485 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.505 0.655 8.375 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.048 1.133 7.473 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.364 0.840 4.566 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.327 1.190 3.533 1.00 16.06 C ATOM 1133 C LEU A 71 -10.913 2.581 3.705 1.00 18.09 C ATOM 1134 O LEU A 71 -11.324 2.951 4.782 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.419 0.109 3.395 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.825 -1.286 3.040 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.916 -2.355 2.920 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.004 -1.251 1.754 1.00 19.57 C ATOM 0 H LEU A 71 -9.779 0.350 5.358 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.775 1.223 2.594 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.977 0.037 4.329 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.128 0.407 2.622 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.163 -1.549 3.865 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.460 -3.314 2.671 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.447 -2.441 3.868 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.618 -2.072 2.135 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.610 -2.246 1.547 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.638 -0.932 0.926 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.177 -0.550 1.869 1.00 19.57 H new