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 121:sc= 0.425 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.398 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.469 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.414 K(o=0.88,f=0.078) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.237 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0218 (180deg=-0.17) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.42 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.747) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 2.23 (180deg=1.99) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 0.584 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.942 K(o=0.94,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00614) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.13) USER MOD Single : A 65 SER OG : rot 69:sc= 0.332 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.537 -7.662 -4.810 1.00 9.67 N ATOM 2 CA MET A 1 11.547 -7.868 -3.301 1.00 10.38 C ATOM 3 C MET A 1 10.087 -8.159 -2.800 1.00 9.62 C ATOM 4 O MET A 1 9.107 -7.914 -3.443 1.00 9.62 O ATOM 5 CB MET A 1 12.230 -6.616 -2.672 1.00 13.77 C ATOM 6 CG MET A 1 11.383 -5.251 -2.564 1.00 16.29 C ATOM 7 SD MET A 1 12.529 -4.108 -1.686 1.00 17.17 S ATOM 8 CE MET A 1 11.271 -2.814 -1.589 1.00 16.11 C ATOM 0 H1 MET A 1 12.514 -7.571 -5.154 1.00 9.67 H new ATOM 0 H2 MET A 1 11.083 -8.478 -5.269 1.00 9.67 H new ATOM 0 H3 MET A 1 11.007 -6.797 -5.039 1.00 9.67 H new ATOM 0 HA MET A 1 12.123 -8.740 -2.991 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.554 -6.885 -1.667 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.129 -6.403 -3.250 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.109 -4.869 -3.547 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.456 -5.396 -2.009 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.725 -1.891 -1.229 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.845 -2.646 -2.578 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.483 -3.123 -0.902 1.00 16.11 H new ATOM 20 N GLN A 2 9.929 -8.710 -1.523 1.00 9.27 N ATOM 21 CA GLN A 2 8.590 -9.036 -1.011 1.00 9.07 C ATOM 22 C GLN A 2 8.265 -8.119 0.113 1.00 8.72 C ATOM 23 O GLN A 2 9.175 -7.709 0.804 1.00 8.22 O ATOM 24 CB GLN A 2 8.599 -10.498 -0.531 1.00 14.46 C ATOM 25 CG GLN A 2 7.254 -11.135 -0.200 1.00 17.01 C ATOM 26 CD GLN A 2 7.386 -12.649 0.129 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.032 -13.530 -0.624 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.931 -12.920 1.345 1.00 19.49 N ATOM 0 H GLN A 2 10.696 -8.916 -0.883 1.00 9.27 H new ATOM 0 HA GLN A 2 7.836 -8.916 -1.789 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.078 -11.103 -1.301 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.228 -10.557 0.357 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.808 -10.618 0.650 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.575 -11.006 -1.043 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.219 -12.156 1.956 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.052 -13.887 1.646 1.00 19.49 H new ATOM 37 N ILE A 3 6.909 -7.834 0.329 1.00 5.87 N ATOM 38 CA ILE A 3 6.366 -7.036 1.361 1.00 5.07 C ATOM 39 C ILE A 3 5.033 -7.600 1.819 1.00 4.01 C ATOM 40 O ILE A 3 4.359 -8.337 1.111 1.00 4.61 O ATOM 41 CB ILE A 3 6.186 -5.549 0.987 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.493 -5.441 -0.375 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.536 -4.843 0.920 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.989 -4.078 -0.729 1.00 10.83 C ATOM 0 H ILE A 3 6.185 -8.209 -0.284 1.00 5.87 H new ATOM 0 HA ILE A 3 7.099 -7.068 2.167 1.00 5.07 H new ATOM 0 HB ILE A 3 5.576 -5.072 1.754 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.192 -5.764 -1.147 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.654 -6.137 -0.394 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.386 -3.796 0.655 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.028 -4.905 1.891 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.160 -5.323 0.166 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.516 -4.109 -1.711 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.261 -3.755 0.015 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.823 -3.376 -0.750 1.00 10.83 H new ATOM 56 N PHE A 4 4.554 -7.311 3.048 1.00 4.55 N ATOM 57 CA PHE A 4 3.374 -7.887 3.610 1.00 4.68 C ATOM 58 C PHE A 4 2.398 -6.781 3.895 1.00 5.30 C ATOM 59 O PHE A 4 2.626 -5.891 4.714 1.00 5.58 O ATOM 60 CB PHE A 4 3.705 -8.559 5.032 1.00 4.83 C ATOM 61 CG PHE A 4 4.871 -9.531 4.914 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.892 -10.596 3.959 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.902 -9.382 5.830 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.010 -11.450 3.904 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.006 -10.167 5.744 1.00 10.61 C ATOM 66 CZ PHE A 4 7.053 -11.244 4.805 1.00 8.90 C ATOM 0 H PHE A 4 5.012 -6.647 3.673 1.00 4.55 H new ATOM 0 HA PHE A 4 2.982 -8.627 2.912 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.945 -7.783 5.759 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.825 -9.083 5.405 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.059 -10.743 3.287 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.826 -8.641 6.612 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.058 -12.248 3.178 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.852 -9.977 6.388 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.907 -11.906 4.794 1.00 8.90 H new ATOM 76 N VAL A 5 1.193 -6.783 3.226 1.00 4.44 N ATOM 77 CA VAL A 5 0.086 -5.838 3.439 1.00 3.87 C ATOM 78 C VAL A 5 -0.906 -6.423 4.288 1.00 4.93 C ATOM 79 O VAL A 5 -1.412 -7.512 3.980 1.00 6.84 O ATOM 80 CB VAL A 5 -0.576 -5.301 2.146 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.805 -4.329 2.394 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.447 -4.597 1.268 1.00 9.13 C ATOM 0 H VAL A 5 0.981 -7.473 2.505 1.00 4.44 H new ATOM 0 HA VAL A 5 0.540 -4.969 3.915 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.970 -6.185 1.644 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.208 -4.000 1.436 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.579 -4.856 2.952 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.473 -3.462 2.965 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.040 -4.228 0.366 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.881 -3.759 1.814 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.235 -5.298 0.994 1.00 9.13 H new ATOM 92 N LYS A 6 -1.232 -5.836 5.426 1.00 6.04 N ATOM 93 CA LYS A 6 -2.127 -6.242 6.454 1.00 6.12 C ATOM 94 C LYS A 6 -3.436 -5.522 6.331 1.00 6.57 C ATOM 95 O LYS A 6 -3.583 -4.318 6.585 1.00 5.76 O ATOM 96 CB LYS A 6 -1.635 -5.975 7.918 1.00 7.45 C ATOM 97 CG LYS A 6 -0.457 -6.824 8.381 1.00 11.12 C ATOM 98 CD LYS A 6 -0.707 -8.272 8.643 1.00 14.54 C ATOM 99 CE LYS A 6 0.388 -9.089 9.414 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.199 -10.415 9.665 1.00 20.55 N ATOM 0 H LYS A 6 -0.806 -4.941 5.666 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.207 -7.319 6.305 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.358 -4.924 8.003 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.470 -6.141 8.599 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.327 -6.750 7.627 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.063 -6.381 9.295 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.638 -8.352 9.204 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.871 -8.760 7.682 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.301 -9.171 8.824 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.656 -8.597 10.349 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.486 -11.006 10.178 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.062 -10.310 10.236 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.437 -10.867 8.759 1.00 20.55 H new ATOM 114 N THR A 7 -4.467 -6.225 5.883 1.00 7.41 N ATOM 115 CA THR A 7 -5.755 -5.544 5.733 1.00 7.48 C ATOM 116 C THR A 7 -6.448 -5.592 7.078 1.00 8.75 C ATOM 117 O THR A 7 -5.977 -6.313 7.972 1.00 8.58 O ATOM 118 CB THR A 7 -6.632 -6.116 4.580 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.364 -7.250 4.994 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.725 -6.610 3.414 1.00 9.17 C ATOM 0 H THR A 7 -4.449 -7.212 5.628 1.00 7.41 H new ATOM 0 HA THR A 7 -5.586 -4.510 5.433 1.00 7.48 H new ATOM 0 HB THR A 7 -7.302 -5.312 4.276 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.904 -7.581 4.246 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.347 -7.008 2.613 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.134 -5.776 3.034 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.058 -7.392 3.778 1.00 9.17 H new ATOM 128 N LEU A 8 -7.440 -4.680 7.308 1.00 9.84 N ATOM 129 CA LEU A 8 -8.128 -4.416 8.575 1.00 14.15 C ATOM 130 C LEU A 8 -9.199 -5.444 8.806 1.00 17.37 C ATOM 131 O LEU A 8 -9.667 -5.682 9.908 1.00 17.01 O ATOM 132 CB LEU A 8 -8.692 -2.986 8.744 1.00 16.63 C ATOM 133 CG LEU A 8 -9.268 -2.640 10.134 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.366 -2.761 11.352 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.781 -1.165 10.144 1.00 18.59 C ATOM 0 H LEU A 8 -7.789 -4.083 6.558 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.355 -4.493 9.340 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.898 -2.275 8.516 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.476 -2.837 8.002 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.033 -3.408 10.245 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.923 -2.482 12.246 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.019 -3.790 11.447 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.509 -2.098 11.237 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.186 -0.927 11.128 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.955 -0.491 9.919 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.561 -1.046 9.392 1.00 18.59 H new ATOM 147 N THR A 9 -9.642 -6.214 7.792 1.00 18.33 N ATOM 148 CA THR A 9 -10.549 -7.318 7.955 1.00 19.24 C ATOM 149 C THR A 9 -9.760 -8.623 8.099 1.00 19.48 C ATOM 150 O THR A 9 -10.274 -9.733 8.008 1.00 23.14 O ATOM 151 CB THR A 9 -11.618 -7.400 6.791 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.947 -7.044 5.555 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.631 -6.325 7.211 1.00 19.70 C ATOM 0 H THR A 9 -9.360 -6.065 6.823 1.00 18.33 H new ATOM 0 HA THR A 9 -11.119 -7.153 8.869 1.00 19.24 H new ATOM 0 HB THR A 9 -12.085 -8.373 6.638 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.585 -7.087 4.812 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.436 -6.278 6.478 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.044 -6.576 8.188 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.133 -5.357 7.265 1.00 19.70 H new ATOM 161 N GLY A 10 -8.430 -8.522 8.390 1.00 19.43 N ATOM 162 CA GLY A 10 -7.516 -9.545 8.865 1.00 18.74 C ATOM 163 C GLY A 10 -6.617 -10.142 7.786 1.00 17.62 C ATOM 164 O GLY A 10 -5.867 -11.077 8.142 1.00 19.74 O ATOM 0 H GLY A 10 -7.949 -7.629 8.280 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.889 -9.118 9.648 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.095 -10.347 9.322 1.00 18.74 H new ATOM 168 N LYS A 11 -6.757 -9.754 6.532 1.00 13.56 N ATOM 169 CA LYS A 11 -6.073 -10.428 5.423 1.00 11.91 C ATOM 170 C LYS A 11 -4.609 -10.061 5.311 1.00 10.18 C ATOM 171 O LYS A 11 -4.224 -8.997 5.870 1.00 9.10 O ATOM 172 CB LYS A 11 -6.771 -10.251 4.065 1.00 13.43 C ATOM 173 CG LYS A 11 -6.565 -11.400 3.074 1.00 16.69 C ATOM 174 CD LYS A 11 -7.737 -11.580 2.095 1.00 17.92 C ATOM 175 CE LYS A 11 -7.346 -12.634 1.113 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.303 -12.633 -0.064 1.00 21.93 N ATOM 0 H LYS A 11 -7.342 -8.969 6.245 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.134 -11.485 5.684 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.840 -10.127 4.237 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.413 -9.329 3.608 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.652 -11.221 2.507 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.419 -12.327 3.629 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.641 -11.871 2.629 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.957 -10.643 1.584 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.329 -12.457 0.764 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.352 -13.611 1.595 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.843 -13.075 -0.886 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.159 -13.169 0.184 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.564 -11.654 -0.298 1.00 21.93 H new ATOM 190 N THR A 12 -3.755 -10.915 4.655 1.00 9.63 N ATOM 191 CA THR A 12 -2.358 -10.578 4.354 1.00 9.85 C ATOM 192 C THR A 12 -2.303 -10.638 2.891 1.00 11.66 C ATOM 193 O THR A 12 -2.495 -11.608 2.193 1.00 12.33 O ATOM 194 CB THR A 12 -1.293 -11.406 4.925 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.286 -11.389 6.347 1.00 10.91 O ATOM 196 CG2 THR A 12 0.075 -10.752 4.557 1.00 9.63 C ATOM 0 H THR A 12 -4.032 -11.842 4.332 1.00 9.63 H new ATOM 0 HA THR A 12 -2.143 -9.616 4.819 1.00 9.85 H new ATOM 0 HB THR A 12 -1.450 -12.416 4.546 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.559 -11.957 6.677 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.887 -11.350 4.971 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.176 -10.704 3.473 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.119 -9.744 4.970 1.00 9.63 H new ATOM 204 N ILE A 13 -1.951 -9.493 2.251 1.00 10.42 N ATOM 205 CA ILE A 13 -1.681 -9.357 0.804 1.00 11.84 C ATOM 206 C ILE A 13 -0.166 -9.371 0.622 1.00 10.55 C ATOM 207 O ILE A 13 0.570 -8.456 1.097 1.00 11.92 O ATOM 208 CB ILE A 13 -2.190 -8.104 0.055 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.463 -7.585 0.750 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.371 -8.517 -1.370 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.137 -6.261 0.248 1.00 16.46 C ATOM 0 H ILE A 13 -1.845 -8.610 2.750 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.241 -10.183 0.367 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.497 -7.263 0.075 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.212 -8.375 0.690 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.226 -7.450 1.805 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.731 -7.669 -1.952 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.417 -8.856 -1.775 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.097 -9.328 -1.424 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.019 -6.050 0.853 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.430 -5.436 0.337 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.431 -6.375 -0.795 1.00 16.46 H new ATOM 223 N THR A 14 0.384 -10.407 -0.015 1.00 9.39 N ATOM 224 CA THR A 14 1.825 -10.506 -0.291 1.00 9.63 C ATOM 225 C THR A 14 2.141 -9.941 -1.662 1.00 11.20 C ATOM 226 O THR A 14 1.635 -10.465 -2.631 1.00 11.63 O ATOM 227 CB THR A 14 2.227 -11.973 -0.266 1.00 10.38 C ATOM 228 OG1 THR A 14 1.734 -12.642 0.922 1.00 16.30 O ATOM 229 CG2 THR A 14 3.762 -12.138 -0.345 1.00 11.66 C ATOM 0 H THR A 14 -0.155 -11.203 -0.356 1.00 9.39 H new ATOM 0 HA THR A 14 2.372 -9.941 0.464 1.00 9.63 H new ATOM 0 HB THR A 14 1.774 -12.435 -1.143 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.008 -13.583 0.905 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.016 -13.198 -0.325 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.128 -11.695 -1.271 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.226 -11.638 0.505 1.00 11.66 H new ATOM 237 N LEU A 15 3.021 -8.941 -1.871 1.00 8.29 N ATOM 238 CA LEU A 15 3.244 -8.346 -3.152 1.00 9.03 C ATOM 239 C LEU A 15 4.714 -8.480 -3.457 1.00 8.59 C ATOM 240 O LEU A 15 5.593 -8.337 -2.591 1.00 7.79 O ATOM 241 CB LEU A 15 2.992 -6.840 -3.018 1.00 11.08 C ATOM 242 CG LEU A 15 1.581 -6.459 -2.660 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.445 -4.981 -2.395 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.582 -6.967 -3.685 1.00 15.27 C ATOM 0 H LEU A 15 3.591 -8.537 -1.128 1.00 8.29 H new ATOM 0 HA LEU A 15 2.610 -8.808 -3.908 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.664 -6.441 -2.258 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.254 -6.358 -3.960 1.00 11.08 H new ATOM 0 HG LEU A 15 1.340 -6.959 -1.722 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.410 -4.751 -2.140 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.094 -4.699 -1.566 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.732 -4.424 -3.287 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.425 -6.671 -3.390 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.814 -6.541 -4.661 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.639 -8.054 -3.741 1.00 15.27 H new ATOM 256 N GLU A 16 5.016 -8.843 -4.727 1.00 11.04 N ATOM 257 CA GLU A 16 6.362 -8.667 -5.300 1.00 11.50 C ATOM 258 C GLU A 16 6.587 -7.201 -5.749 1.00 10.13 C ATOM 259 O GLU A 16 5.783 -6.788 -6.569 1.00 9.83 O ATOM 260 CB GLU A 16 6.587 -9.678 -6.467 1.00 17.22 C ATOM 261 CG GLU A 16 7.961 -9.666 -7.218 1.00 23.33 C ATOM 262 CD GLU A 16 9.164 -9.958 -6.309 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.116 -10.930 -5.501 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.111 -9.151 -6.358 1.00 28.90 O ATOM 0 H GLU A 16 4.342 -9.259 -5.370 1.00 11.04 H new ATOM 0 HA GLU A 16 7.103 -8.879 -4.529 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.437 -10.681 -6.069 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.805 -9.508 -7.207 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.934 -10.405 -8.019 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.100 -8.692 -7.688 1.00 23.33 H new ATOM 271 N VAL A 17 7.631 -6.464 -5.261 1.00 8.99 N ATOM 272 CA VAL A 17 7.782 -5.024 -5.540 1.00 8.85 C ATOM 273 C VAL A 17 9.242 -4.732 -5.741 1.00 8.04 C ATOM 274 O VAL A 17 10.112 -5.555 -5.657 1.00 8.99 O ATOM 275 CB VAL A 17 7.277 -4.158 -4.352 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.733 -4.184 -4.426 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.875 -4.584 -2.985 1.00 10.54 C ATOM 0 H VAL A 17 8.371 -6.853 -4.676 1.00 8.99 H new ATOM 0 HA VAL A 17 7.194 -4.781 -6.425 1.00 8.85 H new ATOM 0 HB VAL A 17 7.627 -3.129 -4.435 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.320 -3.589 -3.612 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.407 -3.769 -5.380 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.382 -5.212 -4.339 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.482 -3.939 -2.199 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.603 -5.619 -2.776 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.961 -4.494 -3.019 1.00 10.54 H new ATOM 287 N GLU A 18 9.493 -3.446 -6.120 1.00 7.29 N ATOM 288 CA GLU A 18 10.852 -3.044 -6.100 1.00 7.08 C ATOM 289 C GLU A 18 11.002 -1.658 -5.406 1.00 6.45 C ATOM 290 O GLU A 18 9.917 -1.096 -5.218 1.00 5.28 O ATOM 291 CB GLU A 18 11.468 -3.015 -7.471 1.00 10.28 C ATOM 292 CG GLU A 18 10.816 -2.053 -8.505 1.00 12.65 C ATOM 293 CD GLU A 18 11.486 -2.040 -9.913 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.755 -1.903 -10.007 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.708 -2.067 -10.833 1.00 14.33 O ATOM 0 H GLU A 18 8.807 -2.750 -6.414 1.00 7.29 H new ATOM 0 HA GLU A 18 11.395 -3.794 -5.524 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.518 -2.743 -7.367 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.439 -4.025 -7.879 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.767 -2.327 -8.622 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.838 -1.041 -8.100 1.00 12.65 H new ATOM 302 N PRO A 19 12.153 -1.109 -4.923 1.00 7.24 N ATOM 303 CA PRO A 19 12.179 0.038 -4.111 1.00 7.07 C ATOM 304 C PRO A 19 11.623 1.266 -4.708 1.00 6.65 C ATOM 305 O PRO A 19 11.227 2.195 -3.987 1.00 6.37 O ATOM 306 CB PRO A 19 13.674 0.199 -3.746 1.00 7.61 C ATOM 307 CG PRO A 19 14.108 -1.257 -3.628 1.00 8.16 C ATOM 308 CD PRO A 19 13.371 -1.871 -4.807 1.00 7.49 C ATOM 0 HA PRO A 19 11.523 -0.101 -3.252 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.230 0.733 -4.516 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.813 0.747 -2.814 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.189 -1.374 -3.710 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.810 -1.701 -2.678 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.964 -1.808 -5.719 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.161 -2.927 -4.635 1.00 7.49 H new ATOM 316 N SER A 20 11.693 1.357 -6.067 1.00 6.80 N ATOM 317 CA SER A 20 11.160 2.567 -6.732 1.00 6.28 C ATOM 318 C SER A 20 9.741 2.458 -7.255 1.00 8.45 C ATOM 319 O SER A 20 9.268 3.407 -7.902 1.00 7.26 O ATOM 320 CB SER A 20 11.979 2.996 -7.961 1.00 8.57 C ATOM 321 OG SER A 20 12.278 1.919 -8.872 1.00 11.13 O ATOM 0 H SER A 20 12.089 0.650 -6.686 1.00 6.80 H new ATOM 0 HA SER A 20 11.211 3.286 -5.914 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.431 3.770 -8.498 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.914 3.443 -7.624 1.00 8.57 H new ATOM 0 HG SER A 20 12.798 2.264 -9.628 1.00 11.13 H new ATOM 327 N ASP A 21 9.039 1.282 -7.119 1.00 7.50 N ATOM 328 CA ASP A 21 7.589 1.181 -7.366 1.00 7.70 C ATOM 329 C ASP A 21 6.743 2.199 -6.540 1.00 7.08 C ATOM 330 O ASP A 21 6.855 2.202 -5.324 1.00 8.11 O ATOM 331 CB ASP A 21 7.023 -0.257 -7.105 1.00 11.00 C ATOM 332 CG ASP A 21 7.348 -1.238 -8.228 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.606 -0.820 -9.400 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.300 -2.471 -7.975 1.00 14.36 O ATOM 0 H ASP A 21 9.471 0.401 -6.839 1.00 7.50 H new ATOM 0 HA ASP A 21 7.491 1.422 -8.424 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.430 -0.637 -6.168 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.942 -0.199 -6.982 1.00 11.00 H new ATOM 339 N THR A 22 5.880 3.029 -7.213 1.00 5.37 N ATOM 340 CA THR A 22 5.147 4.079 -6.423 1.00 6.01 C ATOM 341 C THR A 22 4.013 3.624 -5.541 1.00 8.01 C ATOM 342 O THR A 22 3.443 2.573 -5.833 1.00 8.11 O ATOM 343 CB THR A 22 4.615 5.230 -7.250 1.00 8.92 C ATOM 344 OG1 THR A 22 3.639 4.871 -8.235 1.00 10.22 O ATOM 345 CG2 THR A 22 5.793 5.940 -7.949 1.00 9.65 C ATOM 0 H THR A 22 5.685 3.002 -8.214 1.00 5.37 H new ATOM 0 HA THR A 22 5.966 4.397 -5.778 1.00 6.01 H new ATOM 0 HB THR A 22 4.101 5.883 -6.545 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.352 5.674 -8.718 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.415 6.770 -8.546 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.486 6.319 -7.198 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.311 5.233 -8.597 1.00 9.65 H new ATOM 353 N ILE A 23 3.549 4.440 -4.542 1.00 8.32 N ATOM 354 CA ILE A 23 2.430 4.115 -3.744 1.00 9.92 C ATOM 355 C ILE A 23 1.137 3.857 -4.612 1.00 10.01 C ATOM 356 O ILE A 23 0.330 2.873 -4.376 1.00 8.71 O ATOM 357 CB ILE A 23 2.151 5.205 -2.663 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.462 5.555 -1.874 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.056 4.679 -1.710 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.335 4.309 -1.441 1.00 12.30 C ATOM 0 H ILE A 23 3.977 5.335 -4.306 1.00 8.32 H new ATOM 0 HA ILE A 23 2.680 3.186 -3.232 1.00 9.92 H new ATOM 0 HB ILE A 23 1.809 6.122 -3.143 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.075 6.212 -2.491 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.191 6.118 -0.981 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.847 5.428 -0.947 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.147 4.476 -2.277 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.399 3.761 -1.233 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.218 4.653 -0.903 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.746 3.659 -0.794 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.643 3.755 -2.328 1.00 12.30 H new ATOM 372 N GLU A 24 0.947 4.693 -5.637 1.00 9.54 N ATOM 373 CA GLU A 24 -0.103 4.464 -6.665 1.00 11.81 C ATOM 374 C GLU A 24 -0.012 3.157 -7.412 1.00 11.14 C ATOM 375 O GLU A 24 -0.966 2.421 -7.463 1.00 10.62 O ATOM 376 CB GLU A 24 0.032 5.546 -7.658 1.00 19.24 C ATOM 377 CG GLU A 24 -1.137 5.766 -8.624 1.00 27.76 C ATOM 378 CD GLU A 24 -1.037 7.149 -9.222 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.007 7.297 -10.003 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.863 8.045 -9.065 1.00 34.80 O ATOM 0 H GLU A 24 1.500 5.537 -5.787 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.055 4.441 -6.135 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.204 6.478 -7.119 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.926 5.350 -8.250 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.118 5.014 -9.413 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.085 5.652 -8.098 1.00 27.76 H new ATOM 387 N ASN A 25 1.176 2.784 -7.940 1.00 9.43 N ATOM 388 CA ASN A 25 1.376 1.498 -8.644 1.00 10.96 C ATOM 389 C ASN A 25 1.148 0.323 -7.677 1.00 9.68 C ATOM 390 O ASN A 25 0.659 -0.720 -8.071 1.00 9.33 O ATOM 391 CB ASN A 25 2.765 1.335 -9.409 1.00 16.78 C ATOM 392 CG ASN A 25 2.704 2.037 -10.769 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.492 1.334 -11.743 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.778 3.389 -10.763 1.00 24.70 N ATOM 0 H ASN A 25 2.016 3.361 -7.891 1.00 9.43 H new ATOM 0 HA ASN A 25 0.629 1.494 -9.437 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.571 1.758 -8.809 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.991 0.278 -9.547 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.651 3.911 -11.630 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.961 3.886 -9.891 1.00 24.70 H new ATOM 401 N VAL A 26 1.522 0.452 -6.350 1.00 6.52 N ATOM 402 CA VAL A 26 1.272 -0.509 -5.297 1.00 5.53 C ATOM 403 C VAL A 26 -0.268 -0.688 -5.085 1.00 4.42 C ATOM 404 O VAL A 26 -0.726 -1.824 -4.912 1.00 3.40 O ATOM 405 CB VAL A 26 1.926 -0.211 -3.910 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.300 -1.030 -2.769 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.470 -0.309 -3.974 1.00 8.12 C ATOM 0 H VAL A 26 2.023 1.274 -6.013 1.00 6.52 H new ATOM 0 HA VAL A 26 1.754 -1.417 -5.660 1.00 5.53 H new ATOM 0 HB VAL A 26 1.700 0.826 -3.663 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.794 -0.782 -1.830 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.238 -0.796 -2.694 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.424 -2.093 -2.974 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.889 -0.095 -2.991 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.758 -1.314 -4.281 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.851 0.414 -4.696 1.00 8.12 H new ATOM 417 N LYS A 27 -1.132 0.400 -5.091 1.00 2.64 N ATOM 418 CA LYS A 27 -2.556 0.331 -4.960 1.00 4.14 C ATOM 419 C LYS A 27 -3.207 -0.332 -6.138 1.00 5.58 C ATOM 420 O LYS A 27 -4.130 -1.082 -6.053 1.00 4.11 O ATOM 421 CB LYS A 27 -3.184 1.709 -4.788 1.00 3.97 C ATOM 422 CG LYS A 27 -2.832 2.329 -3.462 1.00 7.45 C ATOM 423 CD LYS A 27 -3.746 3.527 -3.303 1.00 9.02 C ATOM 424 CE LYS A 27 -3.243 4.689 -4.164 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.198 5.871 -3.997 1.00 15.47 N ATOM 0 H LYS A 27 -0.794 1.357 -5.193 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.730 -0.267 -4.065 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.850 2.363 -5.594 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.268 1.627 -4.873 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.976 1.618 -2.649 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.785 2.632 -3.439 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.762 3.261 -3.595 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.784 3.829 -2.256 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.234 4.973 -3.864 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.192 4.389 -5.211 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.948 6.618 -4.676 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.174 5.556 -4.172 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.123 6.244 -3.029 1.00 15.47 H new ATOM 439 N ALA A 28 -2.620 -0.134 -7.339 1.00 6.61 N ATOM 440 CA ALA A 28 -2.987 -0.842 -8.572 1.00 7.74 C ATOM 441 C ALA A 28 -2.826 -2.354 -8.491 1.00 9.17 C ATOM 442 O ALA A 28 -3.565 -3.166 -9.041 1.00 11.45 O ATOM 443 CB ALA A 28 -2.137 -0.395 -9.848 1.00 7.68 C ATOM 0 H ALA A 28 -1.864 0.537 -7.474 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.036 -0.569 -8.683 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.465 -0.961 -10.720 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.286 0.669 -10.030 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.080 -0.588 -9.667 1.00 7.68 H new ATOM 449 N LYS A 29 -1.748 -2.771 -7.795 1.00 8.96 N ATOM 450 CA LYS A 29 -1.393 -4.181 -7.561 1.00 7.90 C ATOM 451 C LYS A 29 -2.361 -4.864 -6.587 1.00 6.92 C ATOM 452 O LYS A 29 -2.844 -6.007 -6.667 1.00 6.87 O ATOM 453 CB LYS A 29 0.102 -4.137 -7.019 1.00 10.28 C ATOM 454 CG LYS A 29 0.930 -5.438 -7.198 1.00 14.94 C ATOM 455 CD LYS A 29 1.003 -5.966 -8.639 1.00 19.69 C ATOM 456 CE LYS A 29 1.548 -7.406 -8.552 1.00 22.63 C ATOM 457 NZ LYS A 29 1.972 -7.851 -9.929 1.00 24.98 N ATOM 0 H LYS A 29 -1.087 -2.120 -7.372 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.468 -4.780 -8.468 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.626 -3.324 -7.522 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.075 -3.890 -5.958 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.944 -5.258 -6.841 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.502 -6.214 -6.564 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.019 -5.952 -9.108 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.655 -5.341 -9.248 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.393 -7.448 -7.865 1.00 22.63 H new ATOM 0 HE3 LYS A 29 0.783 -8.075 -8.158 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.342 -8.822 -9.882 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.154 -7.823 -10.570 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.714 -7.215 -10.286 1.00 24.98 H new ATOM 471 N ILE A 30 -2.780 -4.062 -5.612 1.00 4.57 N ATOM 472 CA ILE A 30 -3.852 -4.377 -4.639 1.00 5.58 C ATOM 473 C ILE A 30 -5.257 -4.439 -5.243 1.00 7.26 C ATOM 474 O ILE A 30 -6.105 -5.249 -4.811 1.00 9.46 O ATOM 475 CB ILE A 30 -3.791 -3.510 -3.395 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.491 -3.702 -2.656 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.028 -3.807 -2.389 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.243 -2.768 -1.494 1.00 2.00 C ATOM 0 H ILE A 30 -2.375 -3.138 -5.462 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.640 -5.398 -4.321 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.861 -2.477 -3.736 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.454 -4.727 -2.286 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.672 -3.590 -3.367 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.946 -3.165 -1.512 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.969 -3.604 -2.900 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.002 -4.851 -2.078 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.279 -3.000 -1.040 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.238 -1.738 -1.850 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.032 -2.892 -0.753 1.00 2.00 H new ATOM 490 N GLN A 31 -5.505 -3.597 -6.257 1.00 7.06 N ATOM 491 CA GLN A 31 -6.683 -3.722 -7.130 1.00 8.67 C ATOM 492 C GLN A 31 -6.597 -4.969 -8.019 1.00 10.90 C ATOM 493 O GLN A 31 -7.580 -5.683 -8.134 1.00 9.63 O ATOM 494 CB GLN A 31 -6.699 -2.482 -8.049 1.00 9.12 C ATOM 495 CG GLN A 31 -7.921 -2.263 -8.981 1.00 10.76 C ATOM 496 CD GLN A 31 -7.916 -1.022 -9.809 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.938 -0.275 -9.829 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.981 -0.815 -10.584 1.00 14.76 N ATOM 0 H GLN A 31 -4.898 -2.813 -6.495 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.579 -3.802 -6.514 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.603 -1.600 -7.416 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.808 -2.523 -8.676 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.996 -3.119 -9.651 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.821 -2.259 -8.367 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.775 -1.454 -10.542 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.002 -0.017 -11.219 1.00 14.76 H new ATOM 507 N ASP A 32 -5.437 -5.329 -8.562 1.00 10.93 N ATOM 508 CA ASP A 32 -5.206 -6.618 -9.258 1.00 14.01 C ATOM 509 C ASP A 32 -5.351 -7.860 -8.353 1.00 14.04 C ATOM 510 O ASP A 32 -5.964 -8.829 -8.724 1.00 13.39 O ATOM 511 CB ASP A 32 -3.914 -6.639 -10.021 1.00 18.01 C ATOM 512 CG ASP A 32 -3.973 -7.472 -11.257 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.043 -7.977 -11.686 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.870 -7.617 -11.888 1.00 26.29 O ATOM 0 H ASP A 32 -4.610 -4.733 -8.537 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.017 -6.685 -9.984 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.643 -5.618 -10.291 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.123 -7.018 -9.373 1.00 18.01 H new ATOM 519 N LYS A 33 -4.866 -7.810 -7.086 1.00 14.22 N ATOM 520 CA LYS A 33 -4.961 -8.895 -6.144 1.00 14.00 C ATOM 521 C LYS A 33 -6.332 -8.998 -5.532 1.00 12.37 C ATOM 522 O LYS A 33 -6.946 -10.074 -5.520 1.00 12.17 O ATOM 523 CB LYS A 33 -3.967 -8.630 -4.986 1.00 18.62 C ATOM 524 CG LYS A 33 -2.472 -8.891 -5.382 1.00 24.00 C ATOM 525 CD LYS A 33 -2.089 -10.389 -5.274 1.00 27.61 C ATOM 526 CE LYS A 33 -0.626 -10.548 -5.496 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.117 -11.724 -4.722 1.00 30.06 N ATOM 0 H LYS A 33 -4.394 -6.988 -6.708 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.742 -9.817 -6.683 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.073 -7.597 -4.654 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.228 -9.265 -4.139 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.303 -8.548 -6.403 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.819 -8.304 -4.736 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.362 -10.775 -4.292 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.644 -10.971 -6.010 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.424 -10.686 -6.558 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.102 -9.644 -5.186 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.506 -11.393 -3.958 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.919 -12.244 -4.313 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.416 -12.353 -5.356 1.00 30.06 H new ATOM 541 N GLU A 34 -6.973 -7.919 -4.910 1.00 10.11 N ATOM 542 CA GLU A 34 -8.142 -8.081 -4.108 1.00 10.07 C ATOM 543 C GLU A 34 -9.331 -7.264 -4.683 1.00 9.32 C ATOM 544 O GLU A 34 -10.428 -7.366 -4.203 1.00 11.61 O ATOM 545 CB GLU A 34 -7.915 -7.643 -2.624 1.00 14.77 C ATOM 546 CG GLU A 34 -6.855 -8.383 -1.779 1.00 18.75 C ATOM 547 CD GLU A 34 -7.195 -9.833 -1.419 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.272 -10.170 -0.884 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.397 -10.722 -1.741 1.00 25.19 O ATOM 0 H GLU A 34 -6.653 -6.954 -4.986 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.372 -9.146 -4.127 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.652 -6.585 -2.630 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.870 -7.731 -2.105 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.910 -8.374 -2.323 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.697 -7.825 -0.856 1.00 18.75 H new ATOM 556 N GLY A 35 -9.078 -6.481 -5.801 1.00 7.22 N ATOM 557 CA GLY A 35 -10.174 -5.826 -6.548 1.00 6.29 C ATOM 558 C GLY A 35 -10.774 -4.583 -5.924 1.00 6.93 C ATOM 559 O GLY A 35 -11.904 -4.159 -6.144 1.00 7.41 O ATOM 0 H GLY A 35 -8.146 -6.306 -6.177 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.802 -5.564 -7.538 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.972 -6.555 -6.690 1.00 6.29 H new ATOM 563 N ILE A 36 -9.962 -3.910 -5.051 1.00 5.86 N ATOM 564 CA ILE A 36 -10.440 -2.755 -4.292 1.00 6.07 C ATOM 565 C ILE A 36 -10.050 -1.513 -5.001 1.00 6.36 C ATOM 566 O ILE A 36 -8.939 -1.458 -5.440 1.00 6.18 O ATOM 567 CB ILE A 36 -9.866 -2.764 -2.884 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.181 -4.172 -2.239 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.371 -1.618 -2.083 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.262 -4.526 -1.079 1.00 9.49 C ATOM 0 H ILE A 36 -8.989 -4.159 -4.871 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.526 -2.802 -4.212 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.785 -2.629 -2.909 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.214 -4.180 -1.890 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.098 -4.941 -3.006 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.940 -1.656 -1.082 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.086 -0.683 -2.566 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.457 -1.674 -2.013 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.535 -5.505 -0.684 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.229 -4.550 -1.427 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.363 -3.777 -0.293 1.00 9.49 H new ATOM 582 N PRO A 37 -10.877 -0.474 -5.272 1.00 8.65 N ATOM 583 CA PRO A 37 -10.457 0.784 -5.824 1.00 9.18 C ATOM 584 C PRO A 37 -9.291 1.496 -5.174 1.00 9.85 C ATOM 585 O PRO A 37 -9.384 1.696 -4.006 1.00 8.51 O ATOM 586 CB PRO A 37 -11.765 1.621 -5.602 1.00 11.42 C ATOM 587 CG PRO A 37 -12.863 0.666 -5.908 1.00 9.27 C ATOM 588 CD PRO A 37 -12.342 -0.638 -5.399 1.00 8.33 C ATOM 0 HA PRO A 37 -10.080 0.648 -6.838 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.832 1.991 -4.579 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.798 2.490 -6.259 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.791 0.949 -5.411 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.073 0.625 -6.977 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.791 -0.888 -4.438 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.585 -1.449 -6.085 1.00 8.33 H new ATOM 596 N PRO A 38 -8.236 1.941 -5.843 1.00 8.71 N ATOM 597 CA PRO A 38 -7.155 2.774 -5.300 1.00 9.08 C ATOM 598 C PRO A 38 -7.650 4.122 -4.754 1.00 9.28 C ATOM 599 O PRO A 38 -6.859 4.791 -4.072 1.00 6.50 O ATOM 600 CB PRO A 38 -6.178 2.998 -6.412 1.00 10.31 C ATOM 601 CG PRO A 38 -6.271 1.647 -7.079 1.00 10.81 C ATOM 602 CD PRO A 38 -7.807 1.269 -7.011 1.00 12.00 C ATOM 0 HA PRO A 38 -6.701 2.259 -4.453 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.470 3.815 -7.072 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.174 3.222 -6.052 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.919 1.689 -8.110 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.658 0.908 -6.563 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.348 1.607 -7.895 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.957 0.192 -6.938 1.00 12.00 H new ATOM 610 N ASP A 39 -8.833 4.562 -5.194 1.00 11.20 N ATOM 611 CA ASP A 39 -9.594 5.596 -4.424 1.00 14.96 C ATOM 612 C ASP A 39 -9.854 5.089 -2.952 1.00 13.99 C ATOM 613 O ASP A 39 -9.505 5.805 -2.036 1.00 13.75 O ATOM 614 CB ASP A 39 -10.882 5.963 -5.150 1.00 24.16 C ATOM 615 CG ASP A 39 -10.555 6.563 -6.473 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.913 7.665 -6.517 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.993 6.059 -7.538 1.00 35.55 O ATOM 0 H ASP A 39 -9.287 4.242 -6.049 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.001 6.508 -4.355 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.501 5.076 -5.284 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.460 6.668 -4.552 1.00 24.16 H new ATOM 622 N GLN A 40 -10.447 3.918 -2.634 1.00 11.60 N ATOM 623 CA GLN A 40 -10.762 3.484 -1.244 1.00 10.76 C ATOM 624 C GLN A 40 -9.482 3.250 -0.443 1.00 8.01 C ATOM 625 O GLN A 40 -9.355 3.774 0.652 1.00 8.96 O ATOM 626 CB GLN A 40 -11.554 2.119 -1.286 1.00 11.14 C ATOM 627 CG GLN A 40 -13.023 2.384 -1.598 1.00 14.85 C ATOM 628 CD GLN A 40 -13.914 1.186 -1.296 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.157 0.373 -2.168 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.282 1.110 0.028 1.00 18.16 N ATOM 0 H GLN A 40 -10.726 3.236 -3.339 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.354 4.269 -0.773 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.125 1.462 -2.042 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.463 1.605 -0.329 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.365 3.241 -1.017 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.124 2.651 -2.650 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.021 1.856 0.673 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.815 0.308 0.364 1.00 18.16 H new ATOM 639 N GLN A 41 -8.509 2.549 -0.997 1.00 6.52 N ATOM 640 CA GLN A 41 -7.248 2.219 -0.335 1.00 3.87 C ATOM 641 C GLN A 41 -6.496 3.361 0.277 1.00 4.79 C ATOM 642 O GLN A 41 -6.178 4.349 -0.419 1.00 6.34 O ATOM 643 CB GLN A 41 -6.321 1.445 -1.337 1.00 4.20 C ATOM 644 CG GLN A 41 -6.952 0.219 -2.048 1.00 3.20 C ATOM 645 CD GLN A 41 -5.919 -0.390 -3.021 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.711 -0.291 -2.735 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.351 -0.880 -4.185 1.00 7.13 N ATOM 0 H GLN A 41 -8.571 2.181 -1.946 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.535 1.602 0.516 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.981 2.146 -2.100 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.437 1.109 -0.796 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.259 -0.525 -1.313 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.848 0.520 -2.591 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.352 -0.941 -4.373 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.680 -1.194 -4.887 1.00 7.13 H new ATOM 656 N ARG A 42 -6.134 3.182 1.575 1.00 5.73 N ATOM 657 CA ARG A 42 -5.279 4.060 2.294 1.00 6.97 C ATOM 658 C ARG A 42 -4.148 3.133 2.797 1.00 7.15 C ATOM 659 O ARG A 42 -4.408 2.197 3.547 1.00 7.33 O ATOM 660 CB ARG A 42 -6.013 4.799 3.432 1.00 13.23 C ATOM 661 CG ARG A 42 -7.062 5.796 2.938 1.00 21.27 C ATOM 662 CD ARG A 42 -7.517 6.734 4.052 1.00 26.14 C ATOM 663 NE ARG A 42 -8.288 7.968 3.547 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.868 8.912 4.335 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.805 8.846 5.663 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.412 9.994 3.726 1.00 36.39 N ATOM 0 H ARG A 42 -6.457 2.391 2.132 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.897 4.875 1.679 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.496 4.066 4.078 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.281 5.327 4.042 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.650 6.381 2.116 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.922 5.254 2.544 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.150 6.180 4.745 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.644 7.067 4.614 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.370 8.087 2.537 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.313 8.074 6.112 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.249 9.568 6.231 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.377 10.079 2.710 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.856 10.724 4.284 1.00 36.39 H new ATOM 680 N LEU A 43 -2.861 3.369 2.566 1.00 4.65 N ATOM 681 CA LEU A 43 -1.843 2.441 3.090 1.00 3.51 C ATOM 682 C LEU A 43 -0.963 3.114 4.080 1.00 5.56 C ATOM 683 O LEU A 43 -0.577 4.267 3.903 1.00 4.19 O ATOM 684 CB LEU A 43 -1.010 2.055 1.841 1.00 3.74 C ATOM 685 CG LEU A 43 -1.762 1.232 0.700 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.931 1.273 -0.595 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.827 -0.249 1.091 1.00 6.41 C ATOM 0 H LEU A 43 -2.498 4.163 2.039 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.293 1.587 3.597 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.619 2.971 1.397 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.152 1.470 2.173 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.753 1.665 0.568 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.445 0.711 -1.375 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.807 2.308 -0.915 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.048 0.830 -0.413 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.341 -0.809 0.310 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.816 -0.638 1.211 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.370 -0.354 2.030 1.00 6.41 H new ATOM 699 N ILE A 44 -0.698 2.426 5.225 1.00 4.58 N ATOM 700 CA ILE A 44 -0.014 3.083 6.383 1.00 5.55 C ATOM 701 C ILE A 44 1.247 2.294 6.668 1.00 5.46 C ATOM 702 O ILE A 44 1.300 1.082 6.753 1.00 6.04 O ATOM 703 CB ILE A 44 -0.814 3.097 7.640 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.018 4.114 7.610 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.053 3.420 8.904 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.075 4.004 6.580 1.00 13.90 C ATOM 0 H ILE A 44 -0.938 1.446 5.373 1.00 4.58 H new ATOM 0 HA ILE A 44 0.162 4.121 6.101 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.152 2.061 7.671 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.510 4.058 8.581 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.591 5.114 7.526 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.735 3.402 9.754 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.734 2.681 9.054 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.392 4.411 8.817 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.812 4.793 6.729 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.630 4.105 5.590 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.563 3.033 6.661 1.00 13.90 H new ATOM 718 N PHE A 45 2.359 3.009 6.742 1.00 6.75 N ATOM 719 CA PHE A 45 3.634 2.436 7.013 1.00 4.70 C ATOM 720 C PHE A 45 4.359 3.486 7.900 1.00 6.34 C ATOM 721 O PHE A 45 4.344 4.674 7.655 1.00 5.45 O ATOM 722 CB PHE A 45 4.469 1.985 5.802 1.00 5.51 C ATOM 723 CG PHE A 45 5.829 1.436 6.168 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.000 0.120 6.568 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.964 2.261 6.118 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.216 -0.411 7.039 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.252 1.783 6.500 1.00 6.64 C ATOM 728 CZ PHE A 45 8.362 0.459 6.968 1.00 6.84 C ATOM 0 H PHE A 45 2.383 4.020 6.610 1.00 6.75 H new ATOM 0 HA PHE A 45 3.495 1.476 7.510 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.915 1.222 5.255 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.599 2.831 5.127 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.147 -0.540 6.515 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.859 3.282 5.782 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.286 -1.415 7.432 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.121 2.420 6.432 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.327 0.088 7.281 1.00 6.84 H new ATOM 738 N ALA A 46 4.998 3.102 8.957 1.00 6.53 N ATOM 739 CA ALA A 46 5.744 3.957 9.843 1.00 7.15 C ATOM 740 C ALA A 46 4.973 5.075 10.372 1.00 9.00 C ATOM 741 O ALA A 46 5.502 6.172 10.546 1.00 11.15 O ATOM 742 CB ALA A 46 7.075 4.437 9.284 1.00 8.99 C ATOM 0 H ALA A 46 5.019 2.125 9.249 1.00 6.53 H new ATOM 0 HA ALA A 46 5.976 3.298 10.679 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.569 5.075 10.017 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.709 3.578 9.065 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.902 5.003 8.369 1.00 8.99 H new ATOM 748 N GLY A 47 3.640 4.887 10.695 1.00 9.35 N ATOM 749 CA GLY A 47 2.733 5.901 11.190 1.00 11.68 C ATOM 750 C GLY A 47 2.228 6.880 10.148 1.00 11.14 C ATOM 751 O GLY A 47 1.550 7.811 10.569 1.00 13.93 O ATOM 0 H GLY A 47 3.189 3.977 10.600 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.876 5.407 11.647 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.235 6.461 11.979 1.00 11.68 H new ATOM 755 N LYS A 48 2.513 6.609 8.867 1.00 10.47 N ATOM 756 CA LYS A 48 2.183 7.602 7.868 1.00 8.82 C ATOM 757 C LYS A 48 1.389 6.940 6.737 1.00 7.68 C ATOM 758 O LYS A 48 1.801 5.913 6.145 1.00 6.47 O ATOM 759 CB LYS A 48 3.400 8.174 7.169 1.00 9.74 C ATOM 760 CG LYS A 48 4.220 9.064 8.160 1.00 14.14 C ATOM 761 CD LYS A 48 5.363 9.842 7.444 1.00 16.32 C ATOM 762 CE LYS A 48 5.989 10.981 8.144 1.00 20.04 C ATOM 763 NZ LYS A 48 6.651 10.460 9.320 1.00 23.92 N ATOM 0 H LYS A 48 2.949 5.754 8.522 1.00 10.47 H new ATOM 0 HA LYS A 48 1.643 8.382 8.404 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.026 7.365 6.791 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.090 8.766 6.308 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.551 9.773 8.648 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.645 8.436 8.943 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.150 9.127 7.205 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.969 10.211 6.497 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.704 11.484 7.493 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.237 11.719 8.423 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.146 11.232 9.810 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.945 10.041 9.959 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.338 9.732 9.038 1.00 23.92 H new ATOM 777 N GLN A 49 0.197 7.556 6.467 1.00 8.89 N ATOM 778 CA GLN A 49 -0.613 7.344 5.293 1.00 7.18 C ATOM 779 C GLN A 49 0.060 7.712 3.964 1.00 8.23 C ATOM 780 O GLN A 49 0.308 8.878 3.599 1.00 9.70 O ATOM 781 CB GLN A 49 -1.920 8.132 5.609 1.00 11.67 C ATOM 782 CG GLN A 49 -3.104 7.732 4.700 1.00 15.82 C ATOM 783 CD GLN A 49 -4.237 8.704 4.737 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.682 9.356 3.799 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.784 8.747 6.002 1.00 20.67 N ATOM 0 H GLN A 49 -0.215 8.235 7.107 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.805 6.286 5.114 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.196 7.964 6.650 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.729 9.199 5.498 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.749 7.639 3.674 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.468 6.750 5.002 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.379 8.186 6.752 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.593 9.339 6.188 1.00 20.67 H new ATOM 794 N LEU A 50 0.466 6.660 3.222 1.00 6.51 N ATOM 795 CA LEU A 50 1.288 6.850 2.044 1.00 7.41 C ATOM 796 C LEU A 50 0.573 7.577 0.939 1.00 8.27 C ATOM 797 O LEU A 50 -0.624 7.457 0.714 1.00 8.34 O ATOM 798 CB LEU A 50 1.865 5.506 1.622 1.00 7.13 C ATOM 799 CG LEU A 50 2.524 4.695 2.750 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.989 3.316 2.162 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.661 5.426 3.485 1.00 9.11 C ATOM 0 H LEU A 50 0.233 5.688 3.427 1.00 6.51 H new ATOM 0 HA LEU A 50 2.117 7.513 2.293 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.067 4.907 1.184 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.603 5.675 0.838 1.00 7.13 H new ATOM 0 HG LEU A 50 1.776 4.542 3.528 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.460 2.725 2.948 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.126 2.777 1.771 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.705 3.486 1.358 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.066 4.779 4.263 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.449 5.679 2.776 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.274 6.339 3.937 1.00 9.11 H new ATOM 813 N GLU A 51 1.389 8.351 0.143 1.00 9.43 N ATOM 814 CA GLU A 51 0.984 9.318 -0.909 1.00 11.90 C ATOM 815 C GLU A 51 1.423 8.792 -2.242 1.00 11.49 C ATOM 816 O GLU A 51 2.570 8.416 -2.295 1.00 9.88 O ATOM 817 CB GLU A 51 1.630 10.742 -0.795 1.00 16.56 C ATOM 818 CG GLU A 51 1.307 11.501 0.492 1.00 26.06 C ATOM 819 CD GLU A 51 2.066 12.816 0.615 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.085 13.106 -0.046 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.670 13.548 1.492 1.00 33.44 O ATOM 0 H GLU A 51 2.404 8.303 0.235 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.094 9.421 -0.789 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.712 10.640 -0.876 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.302 11.342 -1.644 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.236 11.701 0.530 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.544 10.870 1.349 1.00 26.06 H new ATOM 828 N ASP A 52 0.553 8.878 -3.262 1.00 12.71 N ATOM 829 CA ASP A 52 0.602 8.298 -4.569 1.00 16.56 C ATOM 830 C ASP A 52 1.833 8.459 -5.389 1.00 15.83 C ATOM 831 O ASP A 52 2.359 7.566 -6.063 1.00 17.21 O ATOM 832 CB ASP A 52 -0.603 8.844 -5.367 1.00 21.05 C ATOM 833 CG ASP A 52 -1.908 8.669 -4.630 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.036 9.390 -3.626 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.785 7.873 -5.043 1.00 25.82 O ATOM 0 H ASP A 52 -0.298 9.429 -3.151 1.00 12.71 H new ATOM 0 HA ASP A 52 0.586 7.225 -4.378 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.447 9.902 -5.577 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.660 8.333 -6.328 1.00 21.05 H new ATOM 840 N GLY A 53 2.332 9.708 -5.447 1.00 15.00 N ATOM 841 CA GLY A 53 3.565 10.182 -6.087 1.00 11.77 C ATOM 842 C GLY A 53 4.860 9.748 -5.471 1.00 11.10 C ATOM 843 O GLY A 53 5.938 10.120 -6.029 1.00 11.25 O ATOM 0 H GLY A 53 1.833 10.480 -5.005 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.556 9.852 -7.126 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.544 11.272 -6.099 1.00 11.77 H new ATOM 847 N ARG A 54 4.905 9.089 -4.337 1.00 8.53 N ATOM 848 CA ARG A 54 6.109 8.640 -3.637 1.00 9.05 C ATOM 849 C ARG A 54 6.398 7.123 -3.853 1.00 8.96 C ATOM 850 O ARG A 54 5.554 6.356 -4.327 1.00 11.60 O ATOM 851 CB ARG A 54 5.933 8.918 -2.113 1.00 7.97 C ATOM 852 CG ARG A 54 5.207 10.214 -1.648 1.00 9.62 C ATOM 853 CD ARG A 54 6.104 11.425 -1.814 1.00 12.20 C ATOM 854 NE ARG A 54 5.517 12.543 -1.096 1.00 18.23 N ATOM 855 CZ ARG A 54 5.891 13.837 -1.325 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.990 14.208 -1.955 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.103 14.852 -0.971 1.00 23.38 N ATOM 0 H ARG A 54 4.053 8.831 -3.839 1.00 8.53 H new ATOM 0 HA ARG A 54 6.957 9.191 -4.044 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.395 8.071 -1.687 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.927 8.922 -1.665 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.293 10.351 -2.226 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.912 10.115 -0.603 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.102 11.212 -1.430 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.215 11.671 -2.870 1.00 12.20 H new ATOM 0 HE ARG A 54 4.800 12.355 -0.396 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.635 13.504 -2.313 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.194 15.199 -2.084 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.206 14.668 -0.522 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.397 15.812 -1.149 1.00 23.38 H new ATOM 871 N THR A 55 7.627 6.698 -3.530 1.00 9.05 N ATOM 872 CA THR A 55 8.092 5.327 -3.759 1.00 9.03 C ATOM 873 C THR A 55 8.217 4.553 -2.461 1.00 8.15 C ATOM 874 O THR A 55 8.245 5.164 -1.391 1.00 5.91 O ATOM 875 CB THR A 55 9.449 5.266 -4.386 1.00 11.15 C ATOM 876 OG1 THR A 55 10.526 5.964 -3.715 1.00 11.95 O ATOM 877 CG2 THR A 55 9.340 5.821 -5.769 1.00 11.71 C ATOM 0 H THR A 55 8.329 7.301 -3.100 1.00 9.05 H new ATOM 0 HA THR A 55 7.341 4.898 -4.422 1.00 9.03 H new ATOM 0 HB THR A 55 9.727 4.213 -4.335 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.237 5.328 -3.488 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.317 5.789 -6.252 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.631 5.226 -6.345 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.993 6.853 -5.721 1.00 11.71 H new ATOM 885 N LEU A 56 8.390 3.209 -2.476 1.00 6.91 N ATOM 886 CA LEU A 56 8.758 2.520 -1.265 1.00 8.29 C ATOM 887 C LEU A 56 9.986 2.965 -0.523 1.00 8.05 C ATOM 888 O LEU A 56 9.921 3.020 0.693 1.00 10.17 O ATOM 889 CB LEU A 56 8.845 1.035 -1.621 1.00 6.60 C ATOM 890 CG LEU A 56 7.506 0.480 -2.151 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.591 -1.038 -2.483 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.297 0.730 -1.186 1.00 8.64 C ATOM 0 H LEU A 56 8.279 2.616 -3.298 1.00 6.91 H new ATOM 0 HA LEU A 56 7.983 2.766 -0.540 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.620 0.889 -2.374 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.147 0.469 -0.739 1.00 6.60 H new ATOM 0 HG LEU A 56 7.321 1.041 -3.067 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.626 -1.384 -2.852 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.352 -1.201 -3.247 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.855 -1.593 -1.583 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.390 0.313 -1.624 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.491 0.249 -0.227 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.168 1.802 -1.035 1.00 8.64 H new ATOM 904 N SER A 57 11.056 3.313 -1.230 1.00 8.92 N ATOM 905 CA SER A 57 12.275 3.875 -0.638 1.00 9.00 C ATOM 906 C SER A 57 12.175 5.178 0.120 1.00 9.44 C ATOM 907 O SER A 57 12.796 5.329 1.131 1.00 10.91 O ATOM 908 CB SER A 57 13.472 3.953 -1.658 1.00 10.32 C ATOM 909 OG SER A 57 13.053 4.749 -2.756 1.00 13.59 O ATOM 0 H SER A 57 11.106 3.213 -2.244 1.00 8.92 H new ATOM 0 HA SER A 57 12.468 3.131 0.135 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.351 4.389 -1.183 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.753 2.955 -1.994 1.00 10.32 H new ATOM 0 HG SER A 57 13.781 4.816 -3.408 1.00 13.59 H new ATOM 915 N ASP A 58 11.380 6.095 -0.417 1.00 9.11 N ATOM 916 CA ASP A 58 11.055 7.347 0.159 1.00 7.91 C ATOM 917 C ASP A 58 10.477 7.236 1.599 1.00 9.12 C ATOM 918 O ASP A 58 10.773 8.037 2.442 1.00 8.61 O ATOM 919 CB ASP A 58 10.016 8.154 -0.731 1.00 8.41 C ATOM 920 CG ASP A 58 10.420 9.579 -0.639 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.610 9.942 -0.855 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.536 10.372 -0.220 1.00 11.70 O ATOM 0 H ASP A 58 10.929 5.953 -1.321 1.00 9.11 H new ATOM 0 HA ASP A 58 12.004 7.881 0.208 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.036 7.808 -1.765 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.998 8.013 -0.368 1.00 8.41 H new ATOM 927 N TYR A 59 9.720 6.190 1.864 1.00 7.97 N ATOM 928 CA TYR A 59 9.142 5.972 3.172 1.00 8.45 C ATOM 929 C TYR A 59 10.013 4.935 3.904 1.00 10.98 C ATOM 930 O TYR A 59 9.533 4.415 4.932 1.00 12.95 O ATOM 931 CB TYR A 59 7.711 5.524 3.030 1.00 7.94 C ATOM 932 CG TYR A 59 6.898 6.762 2.690 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.596 7.689 3.701 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.368 6.928 1.424 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.589 8.622 3.519 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.440 7.917 1.211 1.00 6.52 C ATOM 937 CZ TYR A 59 5.044 8.783 2.263 1.00 6.76 C ATOM 938 OH TYR A 59 4.014 9.686 2.016 1.00 7.63 O ATOM 0 H TYR A 59 9.490 5.470 1.180 1.00 7.97 H new ATOM 0 HA TYR A 59 9.125 6.891 3.758 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.617 4.772 2.247 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.355 5.068 3.954 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.153 7.674 4.626 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.680 6.287 0.612 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.236 9.215 4.349 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.006 8.038 0.230 1.00 6.52 H new ATOM 0 HH TYR A 59 4.355 10.432 1.480 1.00 7.63 H new ATOM 948 N ASN A 60 11.153 4.443 3.418 1.00 12.38 N ATOM 949 CA ASN A 60 11.964 3.468 4.087 1.00 13.94 C ATOM 950 C ASN A 60 11.311 2.110 4.138 1.00 14.16 C ATOM 951 O ASN A 60 11.593 1.317 4.978 1.00 14.26 O ATOM 952 CB ASN A 60 12.387 3.823 5.518 1.00 19.23 C ATOM 953 CG ASN A 60 13.173 5.120 5.679 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.628 5.987 6.372 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.355 5.116 5.122 1.00 24.09 N ATOM 0 H ASN A 60 11.535 4.732 2.518 1.00 12.38 H new ATOM 0 HA ASN A 60 12.860 3.455 3.467 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.491 3.885 6.136 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.990 3.005 5.911 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.975 5.918 5.235 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.658 4.311 4.574 1.00 24.09 H new ATOM 962 N ILE A 61 10.503 1.763 3.135 1.00 11.08 N ATOM 963 CA ILE A 61 9.966 0.408 2.909 1.00 11.78 C ATOM 964 C ILE A 61 10.968 -0.501 2.137 1.00 13.74 C ATOM 965 O ILE A 61 11.522 -0.066 1.142 1.00 14.60 O ATOM 966 CB ILE A 61 8.574 0.472 2.272 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.501 1.298 3.021 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.011 -0.945 2.031 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.424 1.794 2.123 1.00 11.42 C ATOM 0 H ILE A 61 10.191 2.433 2.432 1.00 11.08 H new ATOM 0 HA ILE A 61 9.840 -0.074 3.878 1.00 11.78 H new ATOM 0 HB ILE A 61 8.761 1.006 1.340 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.059 0.684 3.806 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.979 2.147 3.511 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.022 -0.872 1.578 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.676 -1.492 1.363 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.936 -1.473 2.981 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.701 2.366 2.704 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.857 2.432 1.353 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.924 0.947 1.653 1.00 11.42 H new ATOM 981 N GLN A 62 11.258 -1.754 2.533 1.00 13.97 N ATOM 982 CA GLN A 62 12.169 -2.691 1.964 1.00 15.52 C ATOM 983 C GLN A 62 11.537 -4.021 1.960 1.00 13.94 C ATOM 984 O GLN A 62 10.377 -4.176 2.301 1.00 12.15 O ATOM 985 CB GLN A 62 13.506 -2.780 2.800 1.00 19.53 C ATOM 986 CG GLN A 62 14.144 -1.286 3.017 1.00 26.38 C ATOM 987 CD GLN A 62 15.648 -1.257 3.460 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.971 -0.830 4.542 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.550 -1.644 2.538 1.00 32.71 N ATOM 0 H GLN A 62 10.795 -2.151 3.350 1.00 13.97 H new ATOM 0 HA GLN A 62 12.411 -2.361 0.954 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.308 -3.242 3.767 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.224 -3.417 2.284 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.046 -0.728 2.086 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.551 -0.761 3.766 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.236 -1.999 1.635 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.547 -1.582 2.743 1.00 32.71 H new ATOM 998 N LYS A 63 12.409 -5.030 1.629 1.00 11.73 N ATOM 999 CA LYS A 63 12.104 -6.405 1.766 1.00 11.97 C ATOM 1000 C LYS A 63 11.724 -6.731 3.195 1.00 10.41 C ATOM 1001 O LYS A 63 12.432 -6.368 4.133 1.00 9.59 O ATOM 1002 CB LYS A 63 13.262 -7.307 1.231 1.00 13.73 C ATOM 1003 CG LYS A 63 14.370 -7.842 2.181 1.00 16.98 C ATOM 1004 CD LYS A 63 15.229 -8.865 1.449 1.00 20.19 C ATOM 1005 CE LYS A 63 16.238 -9.507 2.277 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.703 -10.726 2.958 1.00 25.97 N ATOM 0 H LYS A 63 13.343 -4.856 1.259 1.00 11.73 H new ATOM 0 HA LYS A 63 11.236 -6.625 1.145 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.799 -8.175 0.762 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.763 -6.747 0.441 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.990 -7.017 2.532 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.918 -8.297 3.062 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.579 -9.633 1.029 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.723 -8.373 0.611 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.094 -9.781 1.660 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.598 -8.801 3.025 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.485 -11.381 3.161 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.241 -10.452 3.848 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.011 -11.194 2.339 1.00 25.97 H new ATOM 1020 N GLU A 64 10.602 -7.441 3.277 1.00 10.04 N ATOM 1021 CA GLU A 64 10.036 -8.059 4.468 1.00 10.94 C ATOM 1022 C GLU A 64 9.372 -7.087 5.447 1.00 9.74 C ATOM 1023 O GLU A 64 8.914 -7.527 6.511 1.00 9.42 O ATOM 1024 CB GLU A 64 10.963 -9.034 5.225 1.00 18.31 C ATOM 1025 CG GLU A 64 11.599 -10.134 4.296 1.00 24.16 C ATOM 1026 CD GLU A 64 12.710 -10.771 5.023 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.443 -11.700 5.798 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.870 -10.256 4.842 1.00 32.61 O ATOM 0 H GLU A 64 10.025 -7.610 2.453 1.00 10.04 H new ATOM 0 HA GLU A 64 9.247 -8.666 4.025 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.761 -8.467 5.705 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.396 -9.521 6.019 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.850 -10.877 4.021 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.959 -9.686 3.370 1.00 24.16 H new ATOM 1035 N SER A 65 9.239 -5.780 5.060 1.00 6.85 N ATOM 1036 CA SER A 65 8.489 -4.733 5.689 1.00 6.90 C ATOM 1037 C SER A 65 7.022 -5.047 5.745 1.00 4.72 C ATOM 1038 O SER A 65 6.490 -5.489 4.735 1.00 3.91 O ATOM 1039 CB SER A 65 8.663 -3.385 4.877 1.00 7.28 C ATOM 1040 OG SER A 65 10.045 -2.952 5.110 1.00 10.56 O ATOM 0 H SER A 65 9.710 -5.441 4.221 1.00 6.85 H new ATOM 0 HA SER A 65 8.871 -4.635 6.705 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.477 -3.542 3.815 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.954 -2.630 5.217 1.00 7.28 H new ATOM 0 HG SER A 65 10.661 -3.571 4.665 1.00 10.56 H new ATOM 1046 N THR A 66 6.363 -4.746 6.916 1.00 4.48 N ATOM 1047 CA THR A 66 4.959 -4.954 7.107 1.00 3.80 C ATOM 1048 C THR A 66 4.299 -3.623 6.863 1.00 4.60 C ATOM 1049 O THR A 66 4.537 -2.765 7.734 1.00 5.33 O ATOM 1050 CB THR A 66 4.506 -5.464 8.510 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.891 -6.826 8.696 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.963 -5.573 8.688 1.00 3.40 C ATOM 0 H THR A 66 6.831 -4.352 7.732 1.00 4.48 H new ATOM 0 HA THR A 66 4.673 -5.752 6.421 1.00 3.80 H new ATOM 0 HB THR A 66 4.954 -4.740 9.190 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.601 -7.130 9.581 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.737 -5.935 9.691 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.510 -4.592 8.546 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.560 -6.269 7.952 1.00 3.40 H new ATOM 1060 N LEU A 67 3.446 -3.529 5.801 1.00 4.17 N ATOM 1061 CA LEU A 67 2.599 -2.340 5.456 1.00 3.85 C ATOM 1062 C LEU A 67 1.183 -2.654 5.990 1.00 3.80 C ATOM 1063 O LEU A 67 0.695 -3.773 6.046 1.00 5.54 O ATOM 1064 CB LEU A 67 2.372 -2.245 3.855 1.00 7.18 C ATOM 1065 CG LEU A 67 3.485 -1.610 2.993 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.897 -2.354 3.192 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.019 -1.523 1.556 1.00 11.66 C ATOM 0 H LEU A 67 3.323 -4.298 5.142 1.00 4.17 H new ATOM 0 HA LEU A 67 3.071 -1.441 5.852 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.200 -3.255 3.483 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.455 -1.681 3.682 1.00 7.18 H new ATOM 0 HG LEU A 67 3.673 -0.590 3.328 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.652 -1.876 2.568 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.198 -2.290 4.238 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.800 -3.401 2.906 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.803 -1.075 0.946 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.797 -2.523 1.184 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.121 -0.908 1.501 1.00 11.66 H new ATOM 1079 N HIS A 68 0.420 -1.661 6.425 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.004 -1.830 6.764 1.00 4.17 C ATOM 1081 C HIS A 68 -1.826 -1.235 5.695 1.00 5.32 C ATOM 1082 O HIS A 68 -1.439 -0.332 4.993 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.317 -1.231 8.158 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.747 -1.899 9.348 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.601 -1.811 9.589 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.165 -2.834 10.201 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.985 -2.729 10.514 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.121 -3.314 10.963 1.00 16.30 N ATOM 0 H HIS A 68 0.763 -0.709 6.556 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.246 -2.891 6.829 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.974 -0.196 8.161 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.400 -1.208 8.275 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.188 -3.171 10.284 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.997 -2.943 10.825 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.185 -3.989 11.725 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.104 -1.726 5.521 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.116 -1.227 4.613 1.00 3.97 C ATOM 1098 C LEU A 69 -5.379 -0.975 5.357 1.00 5.07 C ATOM 1099 O LEU A 69 -5.942 -1.888 6.005 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.466 -2.301 3.489 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.596 -1.953 2.560 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.171 -0.912 1.520 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.150 -3.236 1.916 1.00 9.96 C ATOM 0 H LEU A 69 -3.439 -2.526 6.058 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.720 -0.318 4.161 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.572 -2.472 2.890 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.706 -3.244 3.980 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.398 -1.491 3.135 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.013 -0.686 0.867 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.850 -0.002 2.026 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.347 -1.307 0.926 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.969 -2.981 1.243 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.359 -3.732 1.353 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.515 -3.906 2.695 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.914 0.273 5.359 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.302 0.482 5.807 1.00 6.26 C ATOM 1117 C VAL A 70 -8.169 0.892 4.611 1.00 9.22 C ATOM 1118 O VAL A 70 -7.626 1.479 3.609 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.492 1.460 6.932 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.783 0.840 8.229 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.833 2.792 6.691 1.00 8.54 C ATOM 0 H VAL A 70 -5.422 1.117 5.066 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.611 -0.477 6.222 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.565 1.623 7.038 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.900 1.524 9.070 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.244 -0.117 8.473 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.722 0.691 8.028 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.012 3.446 7.544 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.760 2.649 6.562 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.249 3.246 5.792 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.491 0.660 4.659 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.290 1.046 3.522 1.00 16.06 C ATOM 1133 C LEU A 71 -11.241 2.106 3.751 1.00 18.09 C ATOM 1134 O LEU A 71 -12.095 2.012 4.612 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.996 -0.179 2.905 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.138 -1.237 2.147 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.116 -2.236 1.434 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.098 -0.598 1.167 1.00 19.57 C ATOM 0 H LEU A 71 -9.993 0.230 5.435 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.568 1.465 2.821 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.523 -0.695 3.707 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.752 0.190 2.212 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.523 -1.781 2.864 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.539 -2.988 0.895 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.743 -2.725 2.179 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.746 -1.690 0.732 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.533 -1.387 0.671 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.621 -0.001 0.420 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.415 0.040 1.727 1.00 19.57 H new