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 -65:sc= 1.35 USER MOD Set 1.2: A 57 SER OG : rot -26:sc= 0.0408 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc=-0.00139 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.955 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.45 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= -0.919 K(o=-0.92,f=-5.1!) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.686) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0745 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0238 (180deg=-0.201) USER MOD Single : A 31 GLN : amide:sc=-0.00972 X(o=-0.0097,f=-0.44) 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=-0.36) USER MOD Single : A 41 GLN : amide:sc= 1.21 K(o=1.2,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.332 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 1.29 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 72:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.528 K(o=0.53,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.721 -6.719 -3.871 1.00 9.67 N ATOM 2 CA MET A 1 11.577 -6.507 -2.441 1.00 10.38 C ATOM 3 C MET A 1 10.143 -6.938 -2.009 1.00 9.62 C ATOM 4 O MET A 1 9.131 -6.469 -2.587 1.00 9.62 O ATOM 5 CB MET A 1 11.812 -5.007 -2.161 1.00 13.77 C ATOM 6 CG MET A 1 11.822 -4.714 -0.598 1.00 16.29 C ATOM 7 SD MET A 1 12.116 -2.935 -0.297 1.00 17.17 S ATOM 8 CE MET A 1 10.453 -2.251 -0.541 1.00 16.11 C ATOM 0 H1 MET A 1 12.725 -6.648 -4.133 1.00 9.67 H new ATOM 0 H2 MET A 1 11.365 -7.664 -4.119 1.00 9.67 H new ATOM 0 H3 MET A 1 11.177 -5.997 -4.385 1.00 9.67 H new ATOM 0 HA MET A 1 12.297 -7.098 -1.875 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.760 -4.696 -2.599 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.031 -4.417 -2.640 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.871 -5.013 -0.157 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.598 -5.306 -0.114 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.478 -1.172 -0.390 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.116 -2.468 -1.555 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.765 -2.702 0.174 1.00 16.11 H new ATOM 20 N GLN A 2 10.064 -7.822 -1.026 1.00 9.27 N ATOM 21 CA GLN A 2 8.827 -8.292 -0.508 1.00 9.07 C ATOM 22 C GLN A 2 8.229 -7.281 0.431 1.00 8.72 C ATOM 23 O GLN A 2 8.900 -6.785 1.320 1.00 8.22 O ATOM 24 CB GLN A 2 9.018 -9.687 0.164 1.00 14.46 C ATOM 25 CG GLN A 2 7.771 -10.451 0.689 1.00 17.01 C ATOM 26 CD GLN A 2 8.147 -11.893 1.073 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.990 -12.167 1.939 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.502 -12.844 0.361 1.00 19.49 N ATOM 0 H GLN A 2 10.882 -8.228 -0.571 1.00 9.27 H new ATOM 0 HA GLN A 2 8.120 -8.421 -1.328 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.519 -10.333 -0.557 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.701 -9.556 1.004 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.358 -9.934 1.555 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.995 -10.462 -0.076 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.815 -12.576 -0.343 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.703 -13.830 0.528 1.00 19.49 H new ATOM 37 N ILE A 3 6.930 -7.081 0.234 1.00 5.87 N ATOM 38 CA ILE A 3 6.120 -6.374 1.212 1.00 5.07 C ATOM 39 C ILE A 3 4.842 -7.192 1.530 1.00 4.01 C ATOM 40 O ILE A 3 4.130 -7.766 0.715 1.00 4.61 O ATOM 41 CB ILE A 3 5.771 -4.955 0.799 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.272 -4.956 -0.649 1.00 4.72 C ATOM 43 CG2 ILE A 3 6.977 -4.016 1.175 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.526 -3.690 -0.984 1.00 10.83 C ATOM 0 H ILE A 3 6.420 -7.398 -0.591 1.00 5.87 H new ATOM 0 HA ILE A 3 6.725 -6.277 2.113 1.00 5.07 H new ATOM 0 HB ILE A 3 4.929 -4.530 1.345 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.119 -5.069 -1.325 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.620 -5.815 -0.808 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.744 -2.991 0.885 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.150 -4.059 2.250 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.873 -4.347 0.650 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.189 -3.730 -2.020 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.664 -3.591 -0.325 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.186 -2.833 -0.850 1.00 10.83 H new ATOM 56 N PHE A 4 4.575 -7.231 2.825 1.00 4.55 N ATOM 57 CA PHE A 4 3.408 -7.908 3.311 1.00 4.68 C ATOM 58 C PHE A 4 2.461 -6.866 3.730 1.00 5.30 C ATOM 59 O PHE A 4 2.719 -6.063 4.594 1.00 5.58 O ATOM 60 CB PHE A 4 3.604 -8.769 4.520 1.00 4.83 C ATOM 61 CG PHE A 4 4.518 -9.898 4.295 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.161 -11.002 3.487 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.814 -9.888 4.785 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.023 -12.010 3.206 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.681 -10.947 4.531 1.00 10.61 C ATOM 66 CZ PHE A 4 6.294 -12.054 3.800 1.00 8.90 C ATOM 0 H PHE A 4 5.154 -6.801 3.547 1.00 4.55 H new ATOM 0 HA PHE A 4 3.085 -8.560 2.500 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.991 -8.156 5.334 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.637 -9.154 4.843 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.162 -11.044 3.078 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.156 -9.048 5.371 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.728 -12.788 2.517 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.688 -10.902 4.918 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.939 -12.913 3.691 1.00 8.90 H new ATOM 76 N VAL A 5 1.207 -6.796 3.180 1.00 4.44 N ATOM 77 CA VAL A 5 0.230 -5.757 3.352 1.00 3.87 C ATOM 78 C VAL A 5 -0.998 -6.371 4.055 1.00 4.93 C ATOM 79 O VAL A 5 -1.725 -7.237 3.563 1.00 6.84 O ATOM 80 CB VAL A 5 -0.311 -5.105 2.071 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.133 -3.878 2.386 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.955 -4.845 1.098 1.00 9.13 C ATOM 0 H VAL A 5 0.863 -7.535 2.567 1.00 4.44 H new ATOM 0 HA VAL A 5 0.753 -4.979 3.908 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.011 -5.756 1.548 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.502 -3.439 1.459 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.977 -4.158 3.016 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.514 -3.150 2.911 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.613 -4.381 0.173 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.666 -4.184 1.594 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.440 -5.794 0.870 1.00 9.13 H new ATOM 92 N LYS A 6 -1.263 -5.958 5.318 1.00 6.04 N ATOM 93 CA LYS A 6 -2.245 -6.496 6.216 1.00 6.12 C ATOM 94 C LYS A 6 -3.615 -5.876 5.951 1.00 6.57 C ATOM 95 O LYS A 6 -3.761 -4.647 6.074 1.00 5.76 O ATOM 96 CB LYS A 6 -1.893 -6.152 7.689 1.00 7.45 C ATOM 97 CG LYS A 6 -0.565 -6.852 8.116 1.00 11.12 C ATOM 98 CD LYS A 6 -0.496 -8.364 8.303 1.00 14.54 C ATOM 99 CE LYS A 6 0.928 -8.790 8.392 1.00 18.84 C ATOM 100 NZ LYS A 6 0.911 -10.261 8.444 1.00 20.55 N ATOM 0 H LYS A 6 -0.746 -5.186 5.740 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.260 -7.574 6.055 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.794 -5.072 7.802 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.704 -6.468 8.345 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.188 -6.588 7.373 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.255 -6.400 9.058 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.030 -8.654 9.208 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.985 -8.867 7.469 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.495 -8.437 7.531 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.405 -8.374 9.280 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.878 -10.624 8.320 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.540 -10.572 9.365 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.303 -10.628 7.684 1.00 20.55 H new ATOM 114 N THR A 7 -4.643 -6.686 5.618 1.00 7.41 N ATOM 115 CA THR A 7 -5.961 -6.086 5.173 1.00 7.48 C ATOM 116 C THR A 7 -6.898 -5.973 6.397 1.00 8.75 C ATOM 117 O THR A 7 -6.629 -6.470 7.490 1.00 8.58 O ATOM 118 CB THR A 7 -6.725 -6.856 4.085 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.292 -8.100 4.519 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.749 -7.124 2.940 1.00 9.17 C ATOM 0 H THR A 7 -4.613 -7.705 5.639 1.00 7.41 H new ATOM 0 HA THR A 7 -5.689 -5.126 4.733 1.00 7.48 H new ATOM 0 HB THR A 7 -7.571 -6.237 3.786 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.761 -8.525 3.770 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.259 -7.671 2.147 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.380 -6.177 2.547 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.911 -7.716 3.307 1.00 9.17 H new ATOM 128 N LEU A 8 -8.069 -5.363 6.251 1.00 9.84 N ATOM 129 CA LEU A 8 -9.063 -5.336 7.358 1.00 14.15 C ATOM 130 C LEU A 8 -10.014 -6.463 7.448 1.00 17.37 C ATOM 131 O LEU A 8 -10.988 -6.454 8.201 1.00 17.01 O ATOM 132 CB LEU A 8 -9.976 -4.149 7.191 1.00 16.63 C ATOM 133 CG LEU A 8 -9.208 -2.828 7.064 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.290 -1.766 6.790 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.464 -2.583 8.311 1.00 18.59 C ATOM 0 H LEU A 8 -8.365 -4.884 5.400 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.419 -5.344 8.237 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.594 -4.292 6.305 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.651 -4.092 8.045 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.466 -2.822 6.265 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.821 -0.787 6.686 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.819 -2.015 5.870 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.996 -1.743 7.620 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.915 -1.645 8.229 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.163 -2.523 9.146 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.763 -3.400 8.483 1.00 18.59 H new ATOM 147 N THR A 9 -9.789 -7.495 6.595 1.00 18.33 N ATOM 148 CA THR A 9 -10.378 -8.779 6.873 1.00 19.24 C ATOM 149 C THR A 9 -9.345 -9.708 7.474 1.00 19.48 C ATOM 150 O THR A 9 -9.599 -10.870 7.810 1.00 23.14 O ATOM 151 CB THR A 9 -10.986 -9.405 5.635 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.091 -9.388 4.554 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.176 -8.548 5.179 1.00 19.70 C ATOM 0 H THR A 9 -9.223 -7.445 5.748 1.00 18.33 H new ATOM 0 HA THR A 9 -11.184 -8.621 7.589 1.00 19.24 H new ATOM 0 HB THR A 9 -11.261 -10.427 5.895 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.514 -9.801 3.772 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.622 -8.989 4.288 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.920 -8.506 5.974 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.832 -7.539 4.951 1.00 19.70 H new ATOM 161 N GLY A 10 -8.162 -9.150 7.678 1.00 19.43 N ATOM 162 CA GLY A 10 -7.091 -9.794 8.407 1.00 18.74 C ATOM 163 C GLY A 10 -6.309 -10.837 7.600 1.00 17.62 C ATOM 164 O GLY A 10 -5.625 -11.726 8.145 1.00 19.74 O ATOM 0 H GLY A 10 -7.919 -8.221 7.334 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.397 -9.030 8.758 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.509 -10.276 9.291 1.00 18.74 H new ATOM 168 N LYS A 11 -6.410 -10.733 6.216 1.00 13.56 N ATOM 169 CA LYS A 11 -5.646 -11.498 5.191 1.00 11.91 C ATOM 170 C LYS A 11 -4.233 -10.848 5.058 1.00 10.18 C ATOM 171 O LYS A 11 -4.174 -9.682 5.309 1.00 9.10 O ATOM 172 CB LYS A 11 -6.368 -11.275 3.783 1.00 13.43 C ATOM 173 CG LYS A 11 -5.739 -12.119 2.662 1.00 16.69 C ATOM 174 CD LYS A 11 -6.440 -12.112 1.276 1.00 17.92 C ATOM 175 CE LYS A 11 -7.996 -12.429 1.320 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.523 -12.224 -0.012 1.00 21.93 N ATOM 0 H LYS A 11 -7.062 -10.077 5.786 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.587 -12.551 5.465 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.424 -11.528 3.875 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.315 -10.220 3.513 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.713 -11.779 2.521 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.688 -13.152 3.007 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.295 -11.135 0.815 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.952 -12.844 0.633 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.169 -13.455 1.646 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.499 -11.778 2.035 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.409 -12.757 -0.121 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.708 -11.211 -0.160 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.831 -12.556 -0.714 1.00 21.93 H new ATOM 190 N THR A 12 -3.130 -11.540 4.788 1.00 9.63 N ATOM 191 CA THR A 12 -1.824 -10.955 4.443 1.00 9.85 C ATOM 192 C THR A 12 -1.590 -11.030 3.008 1.00 11.66 C ATOM 193 O THR A 12 -1.452 -12.103 2.471 1.00 12.33 O ATOM 194 CB THR A 12 -0.592 -11.535 5.018 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.681 -11.550 6.471 1.00 10.91 O ATOM 196 CG2 THR A 12 0.633 -10.704 4.705 1.00 9.63 C ATOM 0 H THR A 12 -3.113 -12.560 4.802 1.00 9.63 H new ATOM 0 HA THR A 12 -1.950 -9.961 4.871 1.00 9.85 H new ATOM 0 HB THR A 12 -0.501 -12.532 4.587 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.166 -12.306 6.823 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.512 -11.171 5.149 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.763 -10.639 3.625 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.508 -9.702 5.116 1.00 9.63 H new ATOM 204 N ILE A 13 -1.685 -9.877 2.329 1.00 10.42 N ATOM 205 CA ILE A 13 -1.255 -9.731 0.970 1.00 11.84 C ATOM 206 C ILE A 13 0.208 -9.855 0.886 1.00 10.55 C ATOM 207 O ILE A 13 0.988 -9.195 1.585 1.00 11.92 O ATOM 208 CB ILE A 13 -1.687 -8.414 0.266 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.224 -8.118 0.494 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.429 -8.486 -1.286 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.607 -6.631 0.153 1.00 16.46 C ATOM 0 H ILE A 13 -2.070 -9.022 2.731 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.762 -10.535 0.437 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.088 -7.616 0.705 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.816 -8.793 -0.123 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.481 -8.327 1.532 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.741 -7.551 -1.750 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.367 -8.646 -1.471 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.000 -9.311 -1.712 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.673 -6.481 0.327 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.037 -5.954 0.789 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.377 -6.427 -0.893 1.00 16.46 H new ATOM 223 N THR A 14 0.737 -10.721 -0.076 1.00 9.39 N ATOM 224 CA THR A 14 2.155 -10.855 -0.386 1.00 9.63 C ATOM 225 C THR A 14 2.359 -10.089 -1.680 1.00 11.20 C ATOM 226 O THR A 14 1.940 -10.546 -2.725 1.00 11.63 O ATOM 227 CB THR A 14 2.751 -12.221 -0.525 1.00 10.38 C ATOM 228 OG1 THR A 14 2.463 -12.968 0.637 1.00 16.30 O ATOM 229 CG2 THR A 14 4.222 -11.987 -0.590 1.00 11.66 C ATOM 0 H THR A 14 0.148 -11.334 -0.640 1.00 9.39 H new ATOM 0 HA THR A 14 2.681 -10.477 0.491 1.00 9.63 H new ATOM 0 HB THR A 14 2.369 -12.758 -1.393 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.849 -13.865 0.553 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.738 -12.942 -0.693 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.452 -11.356 -1.448 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.552 -11.492 0.323 1.00 11.66 H new ATOM 237 N LEU A 15 3.122 -8.940 -1.758 1.00 8.29 N ATOM 238 CA LEU A 15 3.472 -8.376 -3.027 1.00 9.03 C ATOM 239 C LEU A 15 4.964 -8.253 -3.278 1.00 8.59 C ATOM 240 O LEU A 15 5.695 -7.976 -2.326 1.00 7.79 O ATOM 241 CB LEU A 15 2.927 -6.944 -3.182 1.00 11.08 C ATOM 242 CG LEU A 15 1.431 -6.779 -3.184 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.034 -5.306 -3.360 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.693 -7.696 -4.143 1.00 15.27 C ATOM 0 H LEU A 15 3.478 -8.429 -0.950 1.00 8.29 H new ATOM 0 HA LEU A 15 3.033 -9.080 -3.734 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.334 -6.337 -2.373 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.314 -6.533 -4.114 1.00 11.08 H new ATOM 0 HG LEU A 15 1.101 -7.104 -2.197 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.053 -5.219 -3.357 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.447 -4.717 -2.541 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.425 -4.934 -4.307 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.378 -7.506 -4.076 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.032 -7.506 -5.161 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.895 -8.735 -3.881 1.00 15.27 H new ATOM 256 N GLU A 16 5.464 -8.496 -4.467 1.00 11.04 N ATOM 257 CA GLU A 16 6.833 -8.341 -4.781 1.00 11.50 C ATOM 258 C GLU A 16 7.033 -7.076 -5.555 1.00 10.13 C ATOM 259 O GLU A 16 6.663 -7.038 -6.713 1.00 9.83 O ATOM 260 CB GLU A 16 7.301 -9.505 -5.646 1.00 17.22 C ATOM 261 CG GLU A 16 8.802 -9.524 -6.062 1.00 23.33 C ATOM 262 CD GLU A 16 9.797 -9.837 -4.920 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.646 -10.837 -4.182 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.827 -9.046 -4.775 1.00 28.90 O ATOM 0 H GLU A 16 4.899 -8.816 -5.254 1.00 11.04 H new ATOM 0 HA GLU A 16 7.402 -8.311 -3.852 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.087 -10.431 -5.112 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.699 -9.515 -6.554 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.935 -10.264 -6.851 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.057 -8.554 -6.489 1.00 23.33 H new ATOM 271 N VAL A 17 7.518 -5.970 -4.946 1.00 8.99 N ATOM 272 CA VAL A 17 7.677 -4.673 -5.549 1.00 8.85 C ATOM 273 C VAL A 17 9.183 -4.320 -5.755 1.00 8.04 C ATOM 274 O VAL A 17 10.073 -5.008 -5.254 1.00 8.99 O ATOM 275 CB VAL A 17 7.086 -3.616 -4.690 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.592 -3.819 -4.540 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.776 -3.702 -3.280 1.00 10.54 C ATOM 0 H VAL A 17 7.818 -5.983 -3.971 1.00 8.99 H new ATOM 0 HA VAL A 17 7.169 -4.714 -6.512 1.00 8.85 H new ATOM 0 HB VAL A 17 7.248 -2.638 -5.143 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.180 -3.033 -3.907 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.119 -3.780 -5.521 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.401 -4.790 -4.084 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.362 -2.936 -2.625 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.597 -4.686 -2.847 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.849 -3.544 -3.390 1.00 10.54 H new ATOM 287 N GLU A 18 9.442 -3.222 -6.490 1.00 7.29 N ATOM 288 CA GLU A 18 10.712 -2.566 -6.576 1.00 7.08 C ATOM 289 C GLU A 18 10.748 -1.316 -5.691 1.00 6.45 C ATOM 290 O GLU A 18 9.682 -0.779 -5.440 1.00 5.28 O ATOM 291 CB GLU A 18 10.946 -2.091 -8.025 1.00 10.28 C ATOM 292 CG GLU A 18 10.937 -3.234 -9.044 1.00 12.65 C ATOM 293 CD GLU A 18 12.181 -4.154 -8.877 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.305 -3.626 -8.774 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.876 -5.376 -8.836 1.00 14.33 O ATOM 0 H GLU A 18 8.725 -2.767 -7.055 1.00 7.29 H new ATOM 0 HA GLU A 18 11.472 -3.277 -6.254 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.175 -1.368 -8.293 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.903 -1.571 -8.080 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.028 -3.823 -8.924 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.919 -2.823 -10.053 1.00 12.65 H new ATOM 302 N PRO A 19 11.888 -0.908 -5.100 1.00 7.24 N ATOM 303 CA PRO A 19 11.883 0.252 -4.209 1.00 7.07 C ATOM 304 C PRO A 19 11.647 1.614 -4.932 1.00 6.65 C ATOM 305 O PRO A 19 11.433 2.651 -4.293 1.00 6.37 O ATOM 306 CB PRO A 19 13.252 0.178 -3.506 1.00 7.61 C ATOM 307 CG PRO A 19 14.124 -0.614 -4.425 1.00 8.16 C ATOM 308 CD PRO A 19 13.216 -1.570 -5.194 1.00 7.49 C ATOM 0 HA PRO A 19 11.046 0.216 -3.512 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.661 1.174 -3.336 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.168 -0.303 -2.531 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.659 0.044 -5.110 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.876 -1.167 -3.861 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.537 -1.688 -6.229 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.205 -2.565 -4.748 1.00 7.49 H new ATOM 316 N SER A 20 11.651 1.606 -6.291 1.00 6.80 N ATOM 317 CA SER A 20 11.320 2.682 -7.159 1.00 6.28 C ATOM 318 C SER A 20 9.898 2.736 -7.699 1.00 8.45 C ATOM 319 O SER A 20 9.491 3.774 -8.259 1.00 7.26 O ATOM 320 CB SER A 20 12.257 2.646 -8.361 1.00 8.57 C ATOM 321 OG SER A 20 12.359 1.286 -8.863 1.00 11.13 O ATOM 0 H SER A 20 11.910 0.768 -6.811 1.00 6.80 H new ATOM 0 HA SER A 20 11.423 3.565 -6.528 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.884 3.306 -9.144 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.243 3.014 -8.077 1.00 8.57 H new ATOM 0 HG SER A 20 12.961 1.267 -9.636 1.00 11.13 H new ATOM 327 N ASP A 21 9.041 1.740 -7.434 1.00 7.50 N ATOM 328 CA ASP A 21 7.625 1.806 -7.740 1.00 7.70 C ATOM 329 C ASP A 21 6.879 2.908 -6.953 1.00 7.08 C ATOM 330 O ASP A 21 7.078 3.217 -5.743 1.00 8.11 O ATOM 331 CB ASP A 21 6.865 0.417 -7.534 1.00 11.00 C ATOM 332 CG ASP A 21 7.484 -0.605 -8.501 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.984 -0.259 -9.568 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.440 -1.804 -8.098 1.00 18.03 O ATOM 0 H ASP A 21 9.324 0.863 -6.997 1.00 7.50 H new ATOM 0 HA ASP A 21 7.603 2.059 -8.800 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.964 0.076 -6.503 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.799 0.532 -7.731 1.00 11.00 H new ATOM 339 N THR A 22 6.026 3.597 -7.641 1.00 5.37 N ATOM 340 CA THR A 22 5.206 4.651 -7.037 1.00 6.01 C ATOM 341 C THR A 22 4.107 3.970 -6.198 1.00 8.01 C ATOM 342 O THR A 22 3.619 2.898 -6.570 1.00 8.11 O ATOM 343 CB THR A 22 4.603 5.586 -8.053 1.00 8.92 C ATOM 344 OG1 THR A 22 3.727 4.808 -8.843 1.00 10.22 O ATOM 345 CG2 THR A 22 5.614 6.260 -8.994 1.00 9.65 C ATOM 0 H THR A 22 5.863 3.461 -8.639 1.00 5.37 H new ATOM 0 HA THR A 22 5.845 5.274 -6.412 1.00 6.01 H new ATOM 0 HB THR A 22 4.120 6.394 -7.505 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.307 5.376 -9.522 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.085 6.913 -9.688 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.320 6.849 -8.408 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.155 5.497 -9.554 1.00 9.65 H new ATOM 353 N ILE A 23 3.693 4.494 -5.087 1.00 8.32 N ATOM 354 CA ILE A 23 2.665 3.887 -4.245 1.00 9.92 C ATOM 355 C ILE A 23 1.305 3.754 -4.953 1.00 10.01 C ATOM 356 O ILE A 23 0.589 2.843 -4.700 1.00 8.71 O ATOM 357 CB ILE A 23 2.532 4.712 -2.988 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.848 4.894 -2.164 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.472 4.081 -2.040 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.405 3.546 -1.689 1.00 12.30 C ATOM 0 H ILE A 23 4.056 5.373 -4.717 1.00 8.32 H new ATOM 0 HA ILE A 23 2.977 2.870 -4.008 1.00 9.92 H new ATOM 0 HB ILE A 23 2.239 5.699 -3.346 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.594 5.402 -2.775 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.654 5.533 -1.302 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.386 4.686 -1.137 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.507 4.045 -2.546 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.779 3.070 -1.772 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.320 3.711 -1.120 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.668 3.050 -1.057 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.623 2.918 -2.553 1.00 12.30 H new ATOM 372 N GLU A 24 0.869 4.667 -5.848 1.00 9.54 N ATOM 373 CA GLU A 24 -0.435 4.560 -6.572 1.00 11.81 C ATOM 374 C GLU A 24 -0.552 3.278 -7.388 1.00 11.14 C ATOM 375 O GLU A 24 -1.603 2.674 -7.474 1.00 10.62 O ATOM 376 CB GLU A 24 -0.572 5.811 -7.441 1.00 19.24 C ATOM 377 CG GLU A 24 -1.937 5.893 -8.191 1.00 27.76 C ATOM 378 CD GLU A 24 -2.108 7.222 -8.862 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.165 7.775 -9.497 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.181 7.843 -8.747 1.00 34.80 O ATOM 0 H GLU A 24 1.403 5.500 -6.095 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.253 4.504 -5.854 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.456 6.695 -6.814 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.238 5.829 -8.171 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.995 5.098 -8.934 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.752 5.731 -7.486 1.00 27.76 H new ATOM 387 N ASN A 25 0.634 2.865 -8.020 1.00 9.43 N ATOM 388 CA ASN A 25 0.797 1.695 -8.841 1.00 10.96 C ATOM 389 C ASN A 25 0.682 0.356 -8.050 1.00 9.68 C ATOM 390 O ASN A 25 0.184 -0.708 -8.496 1.00 9.33 O ATOM 391 CB ASN A 25 2.108 1.901 -9.573 1.00 16.78 C ATOM 392 CG ASN A 25 2.438 0.809 -10.586 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.491 -0.383 -10.310 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.598 1.185 -11.873 1.00 24.70 N ATOM 0 H ASN A 25 1.500 3.397 -7.931 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.018 1.586 -9.556 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.076 2.861 -10.088 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.914 1.958 -8.842 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.759 0.481 -12.594 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.557 2.173 -12.125 1.00 24.70 H new ATOM 401 N VAL A 26 1.268 0.388 -6.823 1.00 6.52 N ATOM 402 CA VAL A 26 1.153 -0.661 -5.775 1.00 5.53 C ATOM 403 C VAL A 26 -0.293 -0.798 -5.318 1.00 4.42 C ATOM 404 O VAL A 26 -0.784 -1.879 -5.011 1.00 3.40 O ATOM 405 CB VAL A 26 2.227 -0.294 -4.651 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.106 -1.368 -3.578 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.621 -0.343 -5.239 1.00 8.12 C ATOM 0 H VAL A 26 1.852 1.170 -6.527 1.00 6.52 H new ATOM 0 HA VAL A 26 1.390 -1.664 -6.130 1.00 5.53 H new ATOM 0 HB VAL A 26 2.052 0.705 -4.251 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.821 -1.167 -2.780 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.095 -1.362 -3.170 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.315 -2.344 -4.015 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.350 -0.092 -4.468 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.822 -1.346 -5.616 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.696 0.374 -6.057 1.00 8.12 H new ATOM 417 N LYS A 27 -1.057 0.303 -5.242 1.00 2.64 N ATOM 418 CA LYS A 27 -2.488 0.301 -5.015 1.00 4.14 C ATOM 419 C LYS A 27 -3.190 -0.375 -6.164 1.00 5.58 C ATOM 420 O LYS A 27 -4.080 -1.237 -5.988 1.00 4.11 O ATOM 421 CB LYS A 27 -3.094 1.640 -4.776 1.00 3.97 C ATOM 422 CG LYS A 27 -2.537 2.294 -3.498 1.00 7.45 C ATOM 423 CD LYS A 27 -3.226 3.595 -3.197 1.00 9.02 C ATOM 424 CE LYS A 27 -2.616 4.362 -2.042 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.492 5.512 -1.809 1.00 15.47 N ATOM 0 H LYS A 27 -0.672 1.242 -5.342 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.628 -0.252 -4.086 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.898 2.287 -5.631 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.176 1.541 -4.693 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.661 1.613 -2.656 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.467 2.467 -3.614 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.203 4.222 -4.089 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.274 3.396 -2.975 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.549 3.737 -1.152 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.603 4.686 -2.281 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.083 6.115 -1.067 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.586 6.060 -2.688 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.430 5.179 -1.507 1.00 15.47 H new ATOM 439 N ALA A 28 -2.735 -0.131 -7.412 1.00 6.61 N ATOM 440 CA ALA A 28 -3.301 -0.875 -8.531 1.00 7.74 C ATOM 441 C ALA A 28 -3.047 -2.374 -8.552 1.00 9.17 C ATOM 442 O ALA A 28 -3.810 -3.186 -9.059 1.00 11.45 O ATOM 443 CB ALA A 28 -2.823 -0.110 -9.770 1.00 7.68 C ATOM 0 H ALA A 28 -2.011 0.545 -7.653 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.388 -0.905 -8.462 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.202 -0.599 -10.668 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.193 0.914 -9.731 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.733 -0.101 -9.794 1.00 7.68 H new ATOM 449 N LYS A 29 -1.913 -2.857 -7.862 1.00 8.96 N ATOM 450 CA LYS A 29 -1.608 -4.250 -7.697 1.00 7.90 C ATOM 451 C LYS A 29 -2.368 -4.858 -6.566 1.00 6.92 C ATOM 452 O LYS A 29 -2.795 -5.969 -6.609 1.00 6.87 O ATOM 453 CB LYS A 29 -0.092 -4.371 -7.387 1.00 10.28 C ATOM 454 CG LYS A 29 0.545 -5.769 -7.459 1.00 14.94 C ATOM 455 CD LYS A 29 2.083 -5.709 -7.234 1.00 19.69 C ATOM 456 CE LYS A 29 2.778 -7.036 -7.461 1.00 22.63 C ATOM 457 NZ LYS A 29 2.607 -7.520 -8.892 1.00 24.98 N ATOM 0 H LYS A 29 -1.226 -2.240 -7.429 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.884 -4.776 -8.611 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.444 -3.722 -8.080 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.078 -3.977 -6.385 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.092 -6.415 -6.707 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.336 -6.215 -8.431 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.512 -4.964 -7.904 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.281 -5.374 -6.216 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.839 -6.935 -7.235 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.375 -7.780 -6.774 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.266 -8.304 -9.075 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.631 -7.849 -9.033 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.807 -6.739 -9.549 1.00 24.98 H new ATOM 471 N ILE A 30 -2.704 -4.086 -5.543 1.00 4.57 N ATOM 472 CA ILE A 30 -3.713 -4.502 -4.526 1.00 5.58 C ATOM 473 C ILE A 30 -5.053 -4.591 -5.199 1.00 7.26 C ATOM 474 O ILE A 30 -5.826 -5.497 -4.908 1.00 9.46 O ATOM 475 CB ILE A 30 -3.629 -3.639 -3.176 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.233 -3.806 -2.602 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.805 -4.044 -2.209 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.935 -3.004 -1.335 1.00 2.00 C ATOM 0 H ILE A 30 -2.303 -3.163 -5.378 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.498 -5.501 -4.146 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.771 -2.573 -3.353 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.073 -4.862 -2.387 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.510 -3.523 -3.367 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.743 -3.455 -1.294 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.760 -3.854 -2.699 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.727 -5.103 -1.964 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.912 -3.199 -1.013 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.054 -1.940 -1.541 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.626 -3.300 -0.546 1.00 2.00 H new ATOM 490 N GLN A 31 -5.440 -3.679 -6.075 1.00 7.06 N ATOM 491 CA GLN A 31 -6.666 -3.734 -6.874 1.00 8.67 C ATOM 492 C GLN A 31 -6.786 -5.041 -7.660 1.00 10.90 C ATOM 493 O GLN A 31 -7.808 -5.673 -7.616 1.00 9.63 O ATOM 494 CB GLN A 31 -6.964 -2.511 -7.826 1.00 9.12 C ATOM 495 CG GLN A 31 -8.289 -2.523 -8.501 1.00 10.76 C ATOM 496 CD GLN A 31 -8.399 -1.595 -9.685 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.457 -1.357 -10.464 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.590 -0.942 -9.838 1.00 14.76 N ATOM 0 H GLN A 31 -4.889 -2.841 -6.261 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.435 -3.678 -6.103 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.883 -1.593 -7.243 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.188 -2.473 -8.591 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.505 -3.539 -8.831 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.055 -2.255 -7.773 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.363 -1.135 -9.201 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.706 -0.262 -10.589 1.00 14.76 H new ATOM 507 N ASP A 32 -5.711 -5.581 -8.299 1.00 10.93 N ATOM 508 CA ASP A 32 -5.606 -6.861 -8.953 1.00 14.01 C ATOM 509 C ASP A 32 -5.667 -8.067 -8.046 1.00 14.04 C ATOM 510 O ASP A 32 -6.329 -9.023 -8.333 1.00 13.39 O ATOM 511 CB ASP A 32 -4.389 -6.760 -9.863 1.00 18.01 C ATOM 512 CG ASP A 32 -4.409 -7.808 -10.900 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.183 -7.667 -11.894 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.662 -8.810 -10.822 1.00 25.17 O ATOM 0 H ASP A 32 -4.834 -5.064 -8.359 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.497 -7.064 -9.547 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.366 -5.778 -10.335 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.479 -6.850 -9.269 1.00 18.01 H new ATOM 519 N LYS A 33 -5.082 -7.947 -6.862 1.00 14.22 N ATOM 520 CA LYS A 33 -5.265 -8.924 -5.755 1.00 14.00 C ATOM 521 C LYS A 33 -6.683 -8.993 -5.148 1.00 12.37 C ATOM 522 O LYS A 33 -7.172 -10.122 -5.032 1.00 12.17 O ATOM 523 CB LYS A 33 -4.214 -8.799 -4.573 1.00 18.62 C ATOM 524 CG LYS A 33 -2.822 -9.088 -4.957 1.00 24.00 C ATOM 525 CD LYS A 33 -2.525 -10.596 -5.223 1.00 27.61 C ATOM 526 CE LYS A 33 -1.072 -10.836 -5.608 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.732 -12.272 -5.807 1.00 30.06 N ATOM 0 H LYS A 33 -4.462 -7.173 -6.624 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.085 -9.858 -6.288 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.263 -7.789 -4.167 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.505 -9.479 -3.772 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.580 -8.519 -5.855 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.159 -8.734 -4.167 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.763 -11.174 -4.330 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.175 -10.958 -6.020 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.854 -10.290 -6.526 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.427 -10.424 -4.832 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.271 -12.358 -6.067 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.908 -12.796 -4.926 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.322 -12.666 -6.568 1.00 30.06 H new ATOM 541 N GLU A 34 -7.408 -7.865 -4.787 1.00 10.11 N ATOM 542 CA GLU A 34 -8.539 -7.957 -3.860 1.00 10.07 C ATOM 543 C GLU A 34 -9.728 -7.231 -4.390 1.00 9.32 C ATOM 544 O GLU A 34 -10.808 -7.369 -3.821 1.00 11.61 O ATOM 545 CB GLU A 34 -8.149 -7.151 -2.526 1.00 14.77 C ATOM 546 CG GLU A 34 -7.098 -7.824 -1.689 1.00 18.75 C ATOM 547 CD GLU A 34 -7.606 -9.254 -1.333 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.501 -9.467 -0.476 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.087 -10.173 -1.989 1.00 25.19 O ATOM 0 H GLU A 34 -7.213 -6.924 -5.129 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.757 -9.013 -3.701 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.796 -6.158 -2.804 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.046 -7.013 -1.922 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.155 -7.879 -2.234 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.909 -7.250 -0.782 1.00 18.75 H new ATOM 556 N GLY A 35 -9.676 -6.450 -5.523 1.00 7.22 N ATOM 557 CA GLY A 35 -10.838 -5.873 -6.173 1.00 6.29 C ATOM 558 C GLY A 35 -11.086 -4.478 -5.819 1.00 6.93 C ATOM 559 O GLY A 35 -12.028 -3.826 -6.259 1.00 7.41 O ATOM 0 H GLY A 35 -8.800 -6.220 -5.991 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.711 -5.946 -7.253 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.717 -6.464 -5.915 1.00 6.29 H new ATOM 563 N ILE A 36 -10.242 -3.949 -4.923 1.00 5.86 N ATOM 564 CA ILE A 36 -10.412 -2.700 -4.165 1.00 6.07 C ATOM 565 C ILE A 36 -9.837 -1.534 -5.002 1.00 6.36 C ATOM 566 O ILE A 36 -8.627 -1.530 -5.222 1.00 6.18 O ATOM 567 CB ILE A 36 -9.648 -2.692 -2.858 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.049 -3.974 -2.062 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.023 -1.434 -2.102 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.131 -4.128 -0.821 1.00 9.49 C ATOM 0 H ILE A 36 -9.363 -4.413 -4.692 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.478 -2.604 -3.957 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.569 -2.696 -3.014 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.091 -3.908 -1.749 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.963 -4.853 -2.701 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.485 -1.405 -1.155 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.759 -0.560 -2.697 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.096 -1.431 -1.910 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.414 -5.024 -0.268 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.094 -4.214 -1.144 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.240 -3.255 -0.177 1.00 9.49 H new ATOM 582 N PRO A 37 -10.568 -0.531 -5.480 1.00 8.65 N ATOM 583 CA PRO A 37 -9.993 0.558 -6.330 1.00 9.18 C ATOM 584 C PRO A 37 -8.922 1.383 -5.622 1.00 9.85 C ATOM 585 O PRO A 37 -9.096 1.631 -4.415 1.00 8.51 O ATOM 586 CB PRO A 37 -11.258 1.327 -6.808 1.00 11.42 C ATOM 587 CG PRO A 37 -12.202 1.082 -5.630 1.00 9.27 C ATOM 588 CD PRO A 37 -12.043 -0.409 -5.347 1.00 8.33 C ATOM 0 HA PRO A 37 -9.412 0.198 -7.179 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.062 2.387 -6.967 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.653 0.932 -7.744 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.928 1.686 -4.765 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.232 1.335 -5.882 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.398 -0.687 -4.355 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.581 -1.030 -6.063 1.00 8.33 H new ATOM 596 N PRO A 38 -7.814 1.907 -6.247 1.00 8.71 N ATOM 597 CA PRO A 38 -6.851 2.775 -5.584 1.00 9.08 C ATOM 598 C PRO A 38 -7.526 3.948 -4.820 1.00 9.28 C ATOM 599 O PRO A 38 -6.962 4.357 -3.771 1.00 6.50 O ATOM 600 CB PRO A 38 -5.981 3.272 -6.743 1.00 10.31 C ATOM 601 CG PRO A 38 -6.012 2.154 -7.739 1.00 10.81 C ATOM 602 CD PRO A 38 -7.446 1.678 -7.592 1.00 12.00 C ATOM 0 HA PRO A 38 -6.284 2.256 -4.811 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.376 4.194 -7.169 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.963 3.483 -6.414 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.792 2.496 -8.750 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.291 1.371 -7.503 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.105 2.219 -8.271 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.530 0.620 -7.842 1.00 12.00 H new ATOM 610 N ASP A 39 -8.694 4.464 -5.245 1.00 11.20 N ATOM 611 CA ASP A 39 -9.367 5.666 -4.797 1.00 14.96 C ATOM 612 C ASP A 39 -9.853 5.410 -3.400 1.00 13.99 C ATOM 613 O ASP A 39 -9.994 6.306 -2.593 1.00 13.75 O ATOM 614 CB ASP A 39 -10.549 6.082 -5.750 1.00 24.16 C ATOM 615 CG ASP A 39 -9.961 6.255 -7.111 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.290 7.308 -7.252 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.101 5.364 -8.028 1.00 34.22 O ATOM 0 H ASP A 39 -9.228 3.996 -5.978 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.672 6.505 -4.815 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.327 5.318 -5.758 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.014 7.007 -5.409 1.00 24.16 H new ATOM 622 N GLN A 40 -10.014 4.094 -3.029 1.00 11.60 N ATOM 623 CA GLN A 40 -10.521 3.668 -1.687 1.00 10.76 C ATOM 624 C GLN A 40 -9.356 3.177 -0.814 1.00 8.01 C ATOM 625 O GLN A 40 -9.609 2.887 0.345 1.00 8.96 O ATOM 626 CB GLN A 40 -11.605 2.534 -1.784 1.00 11.14 C ATOM 627 CG GLN A 40 -12.626 2.600 -0.622 1.00 14.85 C ATOM 628 CD GLN A 40 -13.703 1.511 -0.641 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.672 0.573 -1.425 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.575 1.602 0.389 1.00 18.16 N ATOM 0 H GLN A 40 -9.797 3.313 -3.648 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.992 4.542 -1.236 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.133 2.618 -2.734 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.113 1.562 -1.778 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.084 2.537 0.321 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.115 3.574 -0.644 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.550 2.412 1.009 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.258 0.861 0.546 1.00 18.16 H new ATOM 639 N GLN A 41 -8.052 3.207 -1.238 1.00 6.52 N ATOM 640 CA GLN A 41 -7.016 2.593 -0.440 1.00 3.87 C ATOM 641 C GLN A 41 -6.147 3.625 0.271 1.00 4.79 C ATOM 642 O GLN A 41 -5.566 4.507 -0.352 1.00 6.34 O ATOM 643 CB GLN A 41 -6.144 1.705 -1.293 1.00 4.20 C ATOM 644 CG GLN A 41 -6.810 0.464 -1.979 1.00 3.20 C ATOM 645 CD GLN A 41 -5.708 -0.269 -2.776 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.549 -0.362 -2.439 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.113 -0.813 -3.986 1.00 7.13 N ATOM 0 H GLN A 41 -7.732 3.642 -2.103 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.518 1.994 0.320 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.702 2.322 -2.075 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.325 1.344 -0.671 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.249 -0.198 -1.232 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.618 0.778 -2.640 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.088 -0.739 -4.278 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.436 -1.287 -4.584 1.00 7.13 H new ATOM 656 N ARG A 42 -6.020 3.475 1.609 1.00 5.73 N ATOM 657 CA ARG A 42 -5.117 4.221 2.467 1.00 6.97 C ATOM 658 C ARG A 42 -4.088 3.183 3.019 1.00 7.15 C ATOM 659 O ARG A 42 -4.406 2.259 3.743 1.00 7.33 O ATOM 660 CB ARG A 42 -5.871 4.773 3.665 1.00 13.23 C ATOM 661 CG ARG A 42 -6.609 6.058 3.360 1.00 21.27 C ATOM 662 CD ARG A 42 -6.909 6.701 4.741 1.00 26.14 C ATOM 663 NE ARG A 42 -7.445 8.137 4.439 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.059 8.893 5.348 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.411 8.501 6.548 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.441 10.113 4.970 1.00 36.39 N ATOM 0 H ARG A 42 -6.576 2.796 2.128 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.656 5.039 1.914 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.584 4.026 4.014 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.168 4.949 4.480 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.004 6.721 2.741 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.529 5.861 2.810 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.646 6.117 5.292 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.010 6.741 5.356 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.319 8.514 3.500 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.217 7.546 6.850 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.879 9.151 7.180 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.260 10.432 4.018 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.915 10.727 5.632 1.00 36.39 H new ATOM 680 N LEU A 43 -2.800 3.394 2.586 1.00 4.65 N ATOM 681 CA LEU A 43 -1.749 2.473 2.967 1.00 3.51 C ATOM 682 C LEU A 43 -0.941 3.162 4.079 1.00 5.56 C ATOM 683 O LEU A 43 -0.343 4.203 3.833 1.00 4.19 O ATOM 684 CB LEU A 43 -0.787 2.166 1.762 1.00 3.74 C ATOM 685 CG LEU A 43 -1.398 1.365 0.612 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.354 0.889 -0.386 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.253 0.091 1.010 1.00 6.41 C ATOM 0 H LEU A 43 -2.504 4.172 1.996 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.186 1.529 3.292 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.418 3.112 1.366 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.077 1.621 2.141 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.077 2.101 0.181 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.841 0.326 -1.182 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.160 1.750 -0.813 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.369 0.250 0.121 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.631 -0.390 0.108 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.626 -0.611 1.560 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.091 0.396 1.637 1.00 6.41 H new ATOM 699 N ILE A 44 -0.881 2.601 5.339 1.00 4.58 N ATOM 700 CA ILE A 44 -0.179 3.211 6.452 1.00 5.55 C ATOM 701 C ILE A 44 1.064 2.337 6.711 1.00 5.46 C ATOM 702 O ILE A 44 1.056 1.092 6.658 1.00 6.04 O ATOM 703 CB ILE A 44 -1.049 3.271 7.702 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.147 4.428 7.772 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.058 3.524 8.926 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.257 4.295 6.731 1.00 13.90 C ATOM 0 H ILE A 44 -1.328 1.715 5.575 1.00 4.58 H new ATOM 0 HA ILE A 44 0.090 4.240 6.212 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.608 2.335 7.712 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.594 4.431 8.766 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.654 5.391 7.641 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.630 3.576 9.852 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.660 2.706 8.988 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.474 4.463 8.775 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.962 5.118 6.844 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.824 4.323 5.731 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.778 3.348 6.874 1.00 13.90 H new ATOM 718 N PHE A 45 2.202 3.000 6.995 1.00 6.75 N ATOM 719 CA PHE A 45 3.449 2.424 7.479 1.00 4.70 C ATOM 720 C PHE A 45 4.111 3.404 8.424 1.00 6.34 C ATOM 721 O PHE A 45 4.306 4.589 8.111 1.00 5.45 O ATOM 722 CB PHE A 45 4.455 2.138 6.272 1.00 5.51 C ATOM 723 CG PHE A 45 5.644 1.271 6.700 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.470 -0.128 7.058 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.927 1.829 6.681 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.539 -0.851 7.540 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.045 1.034 7.134 1.00 6.64 C ATOM 728 CZ PHE A 45 7.832 -0.293 7.603 1.00 6.84 C ATOM 0 H PHE A 45 2.268 4.012 6.882 1.00 6.75 H new ATOM 0 HA PHE A 45 3.220 1.485 7.983 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.918 1.641 5.464 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.822 3.085 5.876 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.505 -0.599 6.946 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.079 2.840 6.333 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.383 -1.865 7.876 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.043 1.447 7.117 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.654 -0.867 8.004 1.00 6.84 H new ATOM 738 N ALA A 46 4.459 2.908 9.666 1.00 6.53 N ATOM 739 CA ALA A 46 5.021 3.639 10.768 1.00 7.15 C ATOM 740 C ALA A 46 4.188 4.811 11.180 1.00 9.00 C ATOM 741 O ALA A 46 4.575 5.931 11.496 1.00 11.15 O ATOM 742 CB ALA A 46 6.475 4.044 10.537 1.00 8.99 C ATOM 0 H ALA A 46 4.329 1.922 9.894 1.00 6.53 H new ATOM 0 HA ALA A 46 5.016 2.938 11.603 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.842 4.593 11.404 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.082 3.151 10.389 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.540 4.678 9.653 1.00 8.99 H new ATOM 748 N GLY A 47 2.878 4.468 11.275 1.00 9.35 N ATOM 749 CA GLY A 47 1.791 5.414 11.688 1.00 11.68 C ATOM 750 C GLY A 47 1.312 6.393 10.628 1.00 11.14 C ATOM 751 O GLY A 47 0.300 7.067 10.869 1.00 13.93 O ATOM 0 H GLY A 47 2.538 3.529 11.069 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.936 4.827 12.023 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.142 5.985 12.547 1.00 11.68 H new ATOM 755 N LYS A 48 1.984 6.526 9.492 1.00 10.47 N ATOM 756 CA LYS A 48 1.773 7.528 8.442 1.00 8.82 C ATOM 757 C LYS A 48 1.358 6.870 7.075 1.00 7.68 C ATOM 758 O LYS A 48 1.857 5.804 6.738 1.00 6.47 O ATOM 759 CB LYS A 48 3.123 8.328 8.280 1.00 9.74 C ATOM 760 CG LYS A 48 3.631 9.037 9.518 1.00 14.14 C ATOM 761 CD LYS A 48 2.757 10.228 9.937 1.00 16.32 C ATOM 762 CE LYS A 48 2.847 11.387 8.939 1.00 20.04 C ATOM 763 NZ LYS A 48 2.066 12.522 9.376 1.00 23.92 N ATOM 0 H LYS A 48 2.748 5.892 9.258 1.00 10.47 H new ATOM 0 HA LYS A 48 0.955 8.189 8.727 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.893 7.635 7.941 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.990 9.068 7.491 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.681 8.325 10.341 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.647 9.387 9.337 1.00 14.14 H new ATOM 0 HD2 LYS A 48 1.720 9.904 10.023 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.066 10.574 10.923 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.889 11.685 8.818 1.00 20.04 H new ATOM 0 HE3 LYS A 48 2.495 11.056 7.962 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 2.148 13.289 8.679 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 1.068 12.242 9.467 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 2.419 12.852 10.297 1.00 23.92 H new ATOM 777 N GLN A 49 0.446 7.552 6.346 1.00 8.89 N ATOM 778 CA GLN A 49 0.045 7.208 5.019 1.00 7.18 C ATOM 779 C GLN A 49 1.080 7.405 3.933 1.00 8.23 C ATOM 780 O GLN A 49 1.963 8.236 4.022 1.00 9.70 O ATOM 781 CB GLN A 49 -1.160 7.998 4.660 1.00 11.67 C ATOM 782 CG GLN A 49 -2.392 7.561 5.443 1.00 15.82 C ATOM 783 CD GLN A 49 -3.526 8.546 5.430 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.997 8.991 6.498 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.981 8.996 4.287 1.00 20.67 N ATOM 0 H GLN A 49 -0.030 8.380 6.703 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.137 6.134 5.055 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.968 9.054 4.848 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.355 7.894 3.593 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.747 6.614 5.037 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.102 7.376 6.477 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.602 8.638 3.411 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.715 9.705 4.274 1.00 20.67 H new ATOM 794 N LEU A 50 1.022 6.556 2.904 1.00 6.51 N ATOM 795 CA LEU A 50 2.050 6.555 1.817 1.00 7.41 C ATOM 796 C LEU A 50 1.417 7.270 0.569 1.00 8.27 C ATOM 797 O LEU A 50 0.328 6.924 0.099 1.00 8.34 O ATOM 798 CB LEU A 50 2.487 5.111 1.443 1.00 7.13 C ATOM 799 CG LEU A 50 3.182 4.397 2.657 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.321 2.847 2.490 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.568 5.060 2.836 1.00 9.11 C ATOM 0 H LEU A 50 0.287 5.859 2.785 1.00 6.51 H new ATOM 0 HA LEU A 50 2.944 7.078 2.158 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.617 4.535 1.128 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.172 5.143 0.596 1.00 7.13 H new ATOM 0 HG LEU A 50 2.555 4.521 3.540 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.810 2.429 3.370 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.332 2.403 2.380 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.918 2.629 1.604 1.00 8.14 H new ATOM 0 HD21 LEU A 50 5.089 4.594 3.672 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.154 4.931 1.926 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.439 6.124 3.036 1.00 9.11 H new ATOM 813 N GLU A 51 2.005 8.321 0.113 1.00 9.43 N ATOM 814 CA GLU A 51 1.408 9.248 -0.919 1.00 11.90 C ATOM 815 C GLU A 51 1.449 8.767 -2.344 1.00 11.49 C ATOM 816 O GLU A 51 2.441 8.124 -2.693 1.00 9.88 O ATOM 817 CB GLU A 51 2.103 10.691 -0.815 1.00 16.56 C ATOM 818 CG GLU A 51 1.443 11.568 0.230 1.00 26.06 C ATOM 819 CD GLU A 51 0.182 12.363 -0.304 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.850 11.739 -0.518 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.275 13.604 -0.322 1.00 32.13 O ATOM 0 H GLU A 51 2.934 8.609 0.422 1.00 9.43 H new ATOM 0 HA GLU A 51 0.347 9.291 -0.672 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.158 10.568 -0.570 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.056 11.186 -1.785 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.139 10.947 1.072 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.176 12.280 0.608 1.00 26.06 H new ATOM 828 N ASP A 52 0.489 9.102 -3.158 1.00 12.71 N ATOM 829 CA ASP A 52 0.389 8.734 -4.523 1.00 16.56 C ATOM 830 C ASP A 52 1.528 8.974 -5.444 1.00 15.83 C ATOM 831 O ASP A 52 1.935 8.148 -6.300 1.00 17.21 O ATOM 832 CB ASP A 52 -0.833 9.479 -5.181 1.00 21.05 C ATOM 833 CG ASP A 52 -2.239 9.276 -4.532 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.391 9.567 -3.291 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.128 8.699 -5.157 1.00 28.37 O ATOM 0 H ASP A 52 -0.294 9.680 -2.854 1.00 12.71 H new ATOM 0 HA ASP A 52 0.314 7.650 -4.432 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.614 10.547 -5.182 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.896 9.166 -6.223 1.00 21.05 H new ATOM 840 N GLY A 53 2.141 10.229 -5.342 1.00 15.00 N ATOM 841 CA GLY A 53 3.112 10.764 -6.290 1.00 11.77 C ATOM 842 C GLY A 53 4.494 10.470 -5.774 1.00 11.10 C ATOM 843 O GLY A 53 5.455 10.958 -6.302 1.00 11.25 O ATOM 0 H GLY A 53 1.942 10.871 -4.574 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.970 10.313 -7.272 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.973 11.838 -6.409 1.00 11.77 H new ATOM 847 N ARG A 54 4.580 9.629 -4.721 1.00 8.53 N ATOM 848 CA ARG A 54 5.789 9.134 -4.095 1.00 9.05 C ATOM 849 C ARG A 54 6.032 7.613 -4.192 1.00 8.96 C ATOM 850 O ARG A 54 5.220 6.790 -4.712 1.00 11.60 O ATOM 851 CB ARG A 54 5.824 9.482 -2.655 1.00 7.97 C ATOM 852 CG ARG A 54 5.838 11.007 -2.469 1.00 9.62 C ATOM 853 CD ARG A 54 7.063 11.742 -3.016 1.00 12.20 C ATOM 854 NE ARG A 54 6.860 13.207 -2.669 1.00 18.23 N ATOM 855 CZ ARG A 54 7.864 14.098 -2.849 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.000 13.741 -3.486 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.766 15.347 -2.487 1.00 23.38 N ATOM 0 H ARG A 54 3.742 9.264 -4.268 1.00 8.53 H new ATOM 0 HA ARG A 54 6.575 9.626 -4.668 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.956 9.056 -2.151 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.708 9.045 -2.191 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.949 11.419 -2.947 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.756 11.223 -1.404 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.980 11.358 -2.569 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.152 11.605 -4.094 1.00 12.20 H new ATOM 0 HE ARG A 54 5.963 13.521 -2.299 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.110 12.790 -3.838 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.748 14.422 -3.615 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.909 15.686 -2.050 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.547 15.985 -2.641 1.00 23.38 H new ATOM 871 N THR A 55 7.246 7.176 -3.823 1.00 9.05 N ATOM 872 CA THR A 55 7.657 5.843 -4.000 1.00 9.03 C ATOM 873 C THR A 55 8.024 5.137 -2.658 1.00 8.15 C ATOM 874 O THR A 55 8.108 5.823 -1.651 1.00 5.91 O ATOM 875 CB THR A 55 8.952 5.626 -4.911 1.00 11.15 C ATOM 876 OG1 THR A 55 10.173 6.137 -4.372 1.00 11.95 O ATOM 877 CG2 THR A 55 8.662 6.242 -6.321 1.00 11.71 C ATOM 0 H THR A 55 7.952 7.773 -3.392 1.00 9.05 H new ATOM 0 HA THR A 55 6.777 5.423 -4.486 1.00 9.03 H new ATOM 0 HB THR A 55 9.123 4.551 -4.968 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.122 7.114 -4.315 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.532 6.107 -6.963 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.801 5.743 -6.766 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.450 7.306 -6.217 1.00 11.71 H new ATOM 885 N LEU A 56 8.259 3.831 -2.591 1.00 6.91 N ATOM 886 CA LEU A 56 8.639 3.071 -1.372 1.00 8.29 C ATOM 887 C LEU A 56 9.958 3.467 -0.775 1.00 8.05 C ATOM 888 O LEU A 56 10.110 3.491 0.479 1.00 10.17 O ATOM 889 CB LEU A 56 8.635 1.602 -1.581 1.00 6.60 C ATOM 890 CG LEU A 56 7.242 0.989 -1.683 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.717 0.899 -3.166 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.180 -0.474 -1.078 1.00 8.64 C ATOM 0 H LEU A 56 8.191 3.232 -3.414 1.00 6.91 H new ATOM 0 HA LEU A 56 7.857 3.342 -0.662 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.188 1.374 -2.493 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.169 1.128 -0.758 1.00 6.60 H new ATOM 0 HG LEU A 56 6.610 1.665 -1.108 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.722 0.455 -3.173 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.671 1.899 -3.597 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.395 0.281 -3.755 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.167 -0.865 -1.175 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.872 -1.120 -1.618 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.458 -0.444 -0.024 1.00 8.64 H new ATOM 904 N SER A 57 10.982 3.777 -1.694 1.00 8.92 N ATOM 905 CA SER A 57 12.347 4.239 -1.240 1.00 9.00 C ATOM 906 C SER A 57 12.402 5.553 -0.519 1.00 9.44 C ATOM 907 O SER A 57 13.135 5.809 0.433 1.00 10.91 O ATOM 908 CB SER A 57 13.454 4.321 -2.434 1.00 10.32 C ATOM 909 OG SER A 57 12.982 5.213 -3.412 1.00 13.59 O ATOM 0 H SER A 57 10.876 3.713 -2.706 1.00 8.92 H new ATOM 0 HA SER A 57 12.587 3.445 -0.533 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.412 4.661 -2.041 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.619 3.335 -2.867 1.00 10.32 H new ATOM 0 HG SER A 57 12.003 5.246 -3.380 1.00 13.59 H new ATOM 915 N ASP A 58 11.506 6.477 -0.944 1.00 9.11 N ATOM 916 CA ASP A 58 11.309 7.758 -0.316 1.00 7.91 C ATOM 917 C ASP A 58 10.970 7.623 1.186 1.00 9.12 C ATOM 918 O ASP A 58 11.519 8.364 2.039 1.00 8.61 O ATOM 919 CB ASP A 58 10.196 8.380 -1.061 1.00 8.41 C ATOM 920 CG ASP A 58 10.544 8.805 -2.446 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.647 9.374 -2.641 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.759 8.568 -3.421 1.00 11.70 O ATOM 0 H ASP A 58 10.900 6.327 -1.751 1.00 9.11 H new ATOM 0 HA ASP A 58 12.216 8.361 -0.350 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.367 7.674 -1.108 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.843 9.249 -0.505 1.00 8.41 H new ATOM 927 N TYR A 59 10.154 6.656 1.517 1.00 7.97 N ATOM 928 CA TYR A 59 9.542 6.459 2.764 1.00 8.45 C ATOM 929 C TYR A 59 10.317 5.379 3.560 1.00 10.98 C ATOM 930 O TYR A 59 9.861 4.976 4.643 1.00 12.95 O ATOM 931 CB TYR A 59 8.149 5.822 2.554 1.00 7.94 C ATOM 932 CG TYR A 59 7.200 6.951 2.293 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.807 7.811 3.357 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.533 7.076 1.032 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.749 8.733 3.150 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.505 8.014 0.823 1.00 6.52 C ATOM 937 CZ TYR A 59 5.099 8.787 1.885 1.00 6.76 C ATOM 938 OH TYR A 59 4.150 9.763 1.635 1.00 7.63 O ATOM 0 H TYR A 59 9.891 5.934 0.846 1.00 7.97 H new ATOM 0 HA TYR A 59 9.507 7.423 3.272 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.163 5.126 1.716 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.845 5.255 3.434 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.309 7.762 4.312 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.828 6.431 0.217 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.438 9.391 3.948 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.046 8.124 -0.148 1.00 6.52 H new ATOM 0 HH TYR A 59 4.556 10.490 1.118 1.00 7.63 H new ATOM 948 N ASN A 60 11.535 4.904 3.065 1.00 12.38 N ATOM 949 CA ASN A 60 12.450 4.042 3.823 1.00 13.94 C ATOM 950 C ASN A 60 11.930 2.688 4.069 1.00 14.16 C ATOM 951 O ASN A 60 12.178 2.146 5.117 1.00 14.26 O ATOM 952 CB ASN A 60 13.032 4.700 5.157 1.00 19.23 C ATOM 953 CG ASN A 60 13.494 6.067 4.666 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.393 6.167 3.816 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.864 7.208 5.128 1.00 24.09 N ATOM 0 H ASN A 60 11.875 5.128 2.130 1.00 12.38 H new ATOM 0 HA ASN A 60 13.299 3.933 3.149 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.273 4.782 5.935 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.854 4.118 5.573 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.139 8.123 4.770 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.124 7.135 5.826 1.00 24.09 H new ATOM 962 N ILE A 61 11.225 2.125 3.108 1.00 11.08 N ATOM 963 CA ILE A 61 10.573 0.806 3.364 1.00 11.78 C ATOM 964 C ILE A 61 11.550 -0.337 3.092 1.00 13.74 C ATOM 965 O ILE A 61 12.220 -0.472 2.072 1.00 14.60 O ATOM 966 CB ILE A 61 9.273 0.661 2.640 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.317 1.735 3.130 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.721 -0.828 2.768 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.910 1.634 2.610 1.00 11.42 C ATOM 0 H ILE A 61 11.078 2.517 2.178 1.00 11.08 H new ATOM 0 HA ILE A 61 10.311 0.758 4.421 1.00 11.78 H new ATOM 0 HB ILE A 61 9.401 0.819 1.569 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.287 1.701 4.219 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.719 2.709 2.853 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.774 -0.912 2.234 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.443 -1.522 2.338 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.567 -1.070 3.820 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.311 2.447 3.020 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.918 1.703 1.522 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.479 0.679 2.910 1.00 11.42 H new ATOM 981 N GLN A 62 11.700 -1.146 4.160 1.00 13.97 N ATOM 982 CA GLN A 62 12.657 -2.250 4.091 1.00 15.52 C ATOM 983 C GLN A 62 12.092 -3.584 3.642 1.00 13.94 C ATOM 984 O GLN A 62 10.870 -3.842 3.528 1.00 12.15 O ATOM 985 CB GLN A 62 13.463 -2.310 5.418 1.00 19.53 C ATOM 986 CG GLN A 62 14.218 -0.972 5.592 1.00 26.38 C ATOM 987 CD GLN A 62 15.198 -1.037 6.757 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.032 -0.319 7.755 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.317 -1.817 6.673 1.00 32.71 N ATOM 0 H GLN A 62 11.192 -1.058 5.040 1.00 13.97 H new ATOM 0 HA GLN A 62 13.343 -2.029 3.273 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.793 -2.480 6.261 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.166 -3.142 5.397 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.756 -0.733 4.674 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.502 -0.167 5.760 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.464 -2.411 5.857 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.005 -1.805 7.426 1.00 32.71 H new ATOM 998 N LYS A 63 12.940 -4.550 3.368 1.00 11.73 N ATOM 999 CA LYS A 63 12.523 -5.891 2.936 1.00 11.97 C ATOM 1000 C LYS A 63 11.644 -6.624 4.003 1.00 10.41 C ATOM 1001 O LYS A 63 11.947 -6.461 5.191 1.00 9.59 O ATOM 1002 CB LYS A 63 13.768 -6.718 2.492 1.00 13.73 C ATOM 1003 CG LYS A 63 14.680 -7.237 3.566 1.00 16.98 C ATOM 1004 CD LYS A 63 15.362 -8.532 3.258 1.00 20.19 C ATOM 1005 CE LYS A 63 16.159 -9.191 4.450 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.336 -9.835 5.473 1.00 25.97 N ATOM 0 H LYS A 63 13.952 -4.439 3.436 1.00 11.73 H new ATOM 0 HA LYS A 63 11.870 -5.783 2.070 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.415 -7.570 1.911 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.361 -6.097 1.820 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.442 -6.484 3.768 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.102 -7.359 4.482 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.611 -9.242 2.911 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.053 -8.369 2.431 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.846 -9.932 4.040 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.767 -8.423 4.927 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.797 -10.712 5.788 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.224 -9.193 6.283 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.401 -10.059 5.076 1.00 25.97 H new ATOM 1020 N GLU A 64 10.582 -7.275 3.536 1.00 10.04 N ATOM 1021 CA GLU A 64 9.720 -8.163 4.251 1.00 10.94 C ATOM 1022 C GLU A 64 8.772 -7.511 5.291 1.00 9.74 C ATOM 1023 O GLU A 64 8.286 -8.055 6.294 1.00 9.42 O ATOM 1024 CB GLU A 64 10.418 -9.404 4.831 1.00 18.31 C ATOM 1025 CG GLU A 64 11.131 -10.321 3.792 1.00 24.16 C ATOM 1026 CD GLU A 64 11.958 -11.407 4.364 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.449 -12.520 4.632 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.193 -11.200 4.548 1.00 32.61 O ATOM 0 H GLU A 64 10.293 -7.174 2.563 1.00 10.04 H new ATOM 0 HA GLU A 64 9.067 -8.507 3.449 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.154 -9.075 5.565 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.678 -9.999 5.366 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.374 -10.766 3.146 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.765 -9.700 3.159 1.00 24.16 H new ATOM 1035 N SER A 65 8.629 -6.191 5.090 1.00 6.85 N ATOM 1036 CA SER A 65 7.838 -5.287 5.865 1.00 6.90 C ATOM 1037 C SER A 65 6.300 -5.465 6.042 1.00 4.72 C ATOM 1038 O SER A 65 5.588 -5.946 5.203 1.00 3.91 O ATOM 1039 CB SER A 65 8.012 -3.787 5.476 1.00 7.28 C ATOM 1040 OG SER A 65 9.390 -3.326 5.682 1.00 10.56 O ATOM 0 H SER A 65 9.106 -5.718 4.322 1.00 6.85 H new ATOM 0 HA SER A 65 8.287 -5.588 6.811 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.735 -3.648 4.431 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.332 -3.176 6.070 1.00 7.28 H new ATOM 0 HG SER A 65 9.974 -3.726 5.004 1.00 10.56 H new ATOM 1046 N THR A 66 5.799 -5.047 7.192 1.00 4.48 N ATOM 1047 CA THR A 66 4.402 -5.134 7.489 1.00 3.80 C ATOM 1048 C THR A 66 3.725 -3.845 7.103 1.00 4.60 C ATOM 1049 O THR A 66 3.921 -2.821 7.737 1.00 5.33 O ATOM 1050 CB THR A 66 4.077 -5.379 8.956 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.499 -6.716 9.261 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.587 -5.339 9.164 1.00 3.40 C ATOM 0 H THR A 66 6.361 -4.639 7.939 1.00 4.48 H new ATOM 0 HA THR A 66 4.046 -5.993 6.921 1.00 3.80 H new ATOM 0 HB THR A 66 4.565 -4.626 9.576 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.308 -6.913 10.202 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.362 -5.515 10.216 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.205 -4.362 8.870 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.114 -6.111 8.557 1.00 3.40 H new ATOM 1060 N LEU A 67 2.961 -3.756 6.021 1.00 4.17 N ATOM 1061 CA LEU A 67 2.283 -2.593 5.475 1.00 3.85 C ATOM 1062 C LEU A 67 0.858 -2.802 5.843 1.00 3.80 C ATOM 1063 O LEU A 67 0.454 -3.904 6.177 1.00 5.54 O ATOM 1064 CB LEU A 67 2.460 -2.569 3.940 1.00 7.18 C ATOM 1065 CG LEU A 67 3.702 -1.840 3.455 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.006 -2.542 3.833 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.687 -1.596 1.869 1.00 11.66 C ATOM 0 H LEU A 67 2.785 -4.582 5.449 1.00 4.17 H new ATOM 0 HA LEU A 67 2.669 -1.646 5.853 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.493 -3.596 3.576 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.583 -2.100 3.494 1.00 7.18 H new ATOM 0 HG LEU A 67 3.670 -0.880 3.970 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.851 -1.967 3.455 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.076 -2.620 4.918 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.022 -3.540 3.396 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.596 -1.072 1.573 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.637 -2.555 1.354 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.818 -0.995 1.602 1.00 11.66 H new ATOM 1079 N HIS A 68 0.037 -1.774 5.962 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.242 -1.895 6.478 1.00 4.17 C ATOM 1081 C HIS A 68 -2.115 -1.324 5.367 1.00 5.32 C ATOM 1082 O HIS A 68 -1.971 -0.125 5.043 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.391 -1.031 7.798 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.358 -1.338 8.813 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.962 -0.927 8.738 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.458 -2.179 9.828 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.605 -1.646 9.707 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.760 -2.429 10.412 1.00 16.30 N ATOM 0 H HIS A 68 0.283 -0.824 5.685 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.503 -2.918 6.751 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.336 0.027 7.541 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.377 -1.203 8.229 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.365 -0.240 8.101 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.388 -2.618 10.159 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.668 -1.594 9.888 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.083 -2.108 4.886 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.207 -1.691 3.992 1.00 3.97 C ATOM 1098 C LEU A 69 -5.453 -1.309 4.731 1.00 5.07 C ATOM 1099 O LEU A 69 -6.083 -2.116 5.428 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.628 -2.726 2.885 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.858 -2.521 1.992 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.824 -1.176 1.277 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.008 -3.608 0.944 1.00 9.96 C ATOM 0 H LEU A 69 -3.121 -3.102 5.110 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.765 -0.825 3.500 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.773 -2.835 2.218 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.764 -3.683 3.388 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.710 -2.559 2.671 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.713 -1.072 0.655 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.800 -0.373 2.014 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.934 -1.120 0.650 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.895 -3.412 0.341 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.127 -3.618 0.302 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.110 -4.576 1.435 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.847 -0.009 4.628 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.950 0.651 5.359 1.00 6.26 C ATOM 1117 C VAL A 70 -7.870 1.278 4.355 1.00 9.22 C ATOM 1118 O VAL A 70 -7.369 1.822 3.401 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.434 1.696 6.259 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.624 2.190 7.136 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.478 1.061 7.248 1.00 8.54 C ATOM 0 H VAL A 70 -5.373 0.636 3.996 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.475 -0.091 5.961 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.965 2.485 5.672 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.276 2.967 7.817 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.406 2.594 6.493 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.023 1.355 7.712 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.089 1.826 7.920 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.004 0.302 7.827 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.652 0.597 6.709 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.241 1.167 4.535 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.133 1.776 3.559 1.00 16.06 C ATOM 1133 C LEU A 71 -10.455 3.162 3.780 1.00 18.09 C ATOM 1134 O LEU A 71 -10.420 3.581 4.940 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.411 0.909 3.479 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.156 -0.551 2.988 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.478 -1.288 2.889 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.559 -0.532 1.564 1.00 19.57 C ATOM 0 H LEU A 71 -9.697 0.685 5.310 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.596 1.796 2.611 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.877 0.874 4.464 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.122 1.389 2.807 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.478 -1.034 3.692 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.301 -2.308 2.546 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.955 -1.312 3.869 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.129 -0.775 2.181 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.384 -1.554 1.229 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.255 -0.042 0.884 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.615 0.013 1.572 1.00 19.57 H new