USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -21:sc= 1.19 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.84 K(o=3,f=-6.7!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -128:sc= 0.11 (180deg=-0.0917) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.222 USER MOD Set 3.1: A 7 THR OG1 : rot 130:sc= 0.223 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.718 (180deg=0.58) USER MOD Single : A 2 GLN : amide:sc= 0.146 K(o=0.15,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 1.17 (180deg=0.738) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.0337 USER MOD Single : A 20 SER OG : rot -91:sc= 0.0124 USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= 2.16 (180deg=0.474) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0665 (180deg=-0.354) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.206 K(o=-0.21,f=-2!) USER MOD Single : A 41 GLN : amide:sc= -0.283 K(o=-0.28,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00711) USER MOD Single : A 49 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.196 USER MOD Single : A 60 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 2.02 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=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.957 -7.543 -4.834 1.00 9.67 N ATOM 2 CA MET A 1 11.853 -7.712 -3.328 1.00 10.38 C ATOM 3 C MET A 1 10.393 -7.934 -2.921 1.00 9.62 C ATOM 4 O MET A 1 9.491 -7.817 -3.757 1.00 9.62 O ATOM 5 CB MET A 1 12.520 -6.438 -2.662 1.00 13.77 C ATOM 6 CG MET A 1 11.621 -5.171 -2.745 1.00 16.29 C ATOM 7 SD MET A 1 12.537 -3.724 -1.972 1.00 17.17 S ATOM 8 CE MET A 1 11.108 -2.673 -1.892 1.00 16.11 C ATOM 0 H1 MET A 1 12.888 -7.146 -5.075 1.00 9.67 H new ATOM 0 H2 MET A 1 11.845 -8.468 -5.296 1.00 9.67 H new ATOM 0 H3 MET A 1 11.210 -6.899 -5.163 1.00 9.67 H new ATOM 0 HA MET A 1 12.385 -8.596 -2.977 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.739 -6.654 -1.616 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.472 -6.235 -3.152 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.376 -4.950 -3.784 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.679 -5.342 -2.224 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.386 -1.714 -1.455 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.716 -2.514 -2.897 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.343 -3.145 -1.275 1.00 16.11 H new ATOM 20 N GLN A 2 10.104 -8.383 -1.682 1.00 9.27 N ATOM 21 CA GLN A 2 8.709 -8.694 -1.379 1.00 9.07 C ATOM 22 C GLN A 2 8.228 -7.685 -0.311 1.00 8.72 C ATOM 23 O GLN A 2 9.020 -7.211 0.526 1.00 8.22 O ATOM 24 CB GLN A 2 8.549 -10.081 -0.663 1.00 14.46 C ATOM 25 CG GLN A 2 8.994 -11.319 -1.563 1.00 17.01 C ATOM 26 CD GLN A 2 8.113 -11.418 -2.785 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.930 -11.779 -2.639 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.609 -11.253 -4.041 1.00 19.49 N ATOM 0 H GLN A 2 10.773 -8.528 -0.926 1.00 9.27 H new ATOM 0 HA GLN A 2 8.165 -8.675 -2.323 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.140 -10.078 0.253 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.507 -10.211 -0.370 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.035 -11.203 -1.865 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.930 -12.240 -0.984 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.576 -10.958 -4.173 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.013 -11.425 -4.851 1.00 19.49 H new ATOM 37 N ILE A 3 6.915 -7.468 -0.250 1.00 5.87 N ATOM 38 CA ILE A 3 6.229 -6.661 0.787 1.00 5.07 C ATOM 39 C ILE A 3 4.974 -7.383 1.243 1.00 4.01 C ATOM 40 O ILE A 3 4.332 -7.984 0.358 1.00 4.61 O ATOM 41 CB ILE A 3 6.029 -5.248 0.305 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.104 -5.167 -0.894 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.366 -4.584 0.052 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.545 -3.698 -0.993 1.00 10.83 C ATOM 0 H ILE A 3 6.269 -7.856 -0.937 1.00 5.87 H new ATOM 0 HA ILE A 3 6.846 -6.559 1.680 1.00 5.07 H new ATOM 0 HB ILE A 3 5.525 -4.694 1.097 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.641 -5.431 -1.805 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.285 -5.878 -0.789 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.205 -3.564 -0.296 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.944 -4.566 0.976 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.913 -5.144 -0.707 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.877 -3.620 -1.851 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.997 -3.455 -0.083 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.374 -3.001 -1.114 1.00 10.83 H new ATOM 56 N PHE A 4 4.636 -7.278 2.546 1.00 4.55 N ATOM 57 CA PHE A 4 3.405 -7.763 3.094 1.00 4.68 C ATOM 58 C PHE A 4 2.453 -6.621 3.286 1.00 5.30 C ATOM 59 O PHE A 4 2.700 -5.654 4.044 1.00 5.58 O ATOM 60 CB PHE A 4 3.637 -8.461 4.453 1.00 4.83 C ATOM 61 CG PHE A 4 4.683 -9.526 4.286 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.737 -10.405 3.178 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.631 -9.645 5.274 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.783 -11.298 3.020 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.617 -10.649 5.223 1.00 10.61 C ATOM 66 CZ PHE A 4 6.701 -11.521 4.106 1.00 8.90 C ATOM 0 H PHE A 4 5.242 -6.840 3.240 1.00 4.55 H new ATOM 0 HA PHE A 4 2.986 -8.488 2.396 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.956 -7.734 5.200 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.707 -8.901 4.814 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.947 -10.379 2.442 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.619 -8.955 6.105 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.910 -11.825 2.086 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.315 -10.756 6.040 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.426 -12.321 4.072 1.00 8.90 H new ATOM 76 N VAL A 5 1.281 -6.734 2.751 1.00 4.44 N ATOM 77 CA VAL A 5 0.122 -5.819 2.898 1.00 3.87 C ATOM 78 C VAL A 5 -0.855 -6.487 3.866 1.00 4.93 C ATOM 79 O VAL A 5 -1.434 -7.567 3.603 1.00 6.84 O ATOM 80 CB VAL A 5 -0.515 -5.291 1.547 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.867 -4.501 1.709 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.568 -4.480 0.809 1.00 9.13 C ATOM 0 H VAL A 5 1.059 -7.523 2.144 1.00 4.44 H new ATOM 0 HA VAL A 5 0.464 -4.873 3.317 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.820 -6.154 0.955 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.222 -4.182 0.729 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.613 -5.147 2.172 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.704 -3.626 2.338 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.162 -4.100 -0.129 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.885 -3.644 1.433 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.424 -5.122 0.601 1.00 9.13 H new ATOM 92 N LYS A 6 -1.065 -5.941 5.068 1.00 6.04 N ATOM 93 CA LYS A 6 -1.977 -6.511 6.042 1.00 6.12 C ATOM 94 C LYS A 6 -3.247 -5.728 6.100 1.00 6.57 C ATOM 95 O LYS A 6 -3.341 -4.488 5.993 1.00 5.76 O ATOM 96 CB LYS A 6 -1.349 -6.533 7.485 1.00 7.45 C ATOM 97 CG LYS A 6 -0.222 -7.554 7.689 1.00 11.12 C ATOM 98 CD LYS A 6 0.158 -7.552 9.255 1.00 14.54 C ATOM 99 CE LYS A 6 1.373 -8.512 9.485 1.00 18.84 C ATOM 100 NZ LYS A 6 1.168 -9.887 8.951 1.00 20.55 N ATOM 0 H LYS A 6 -0.602 -5.089 5.385 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.177 -7.533 5.720 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.963 -5.539 7.712 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.140 -6.740 8.206 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.543 -8.547 7.374 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.646 -7.293 7.084 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.409 -6.542 9.580 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.696 -7.876 9.850 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.258 -8.080 9.018 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.576 -8.575 10.554 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.369 -10.583 9.697 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.183 -9.993 8.635 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.809 -10.046 8.147 1.00 20.55 H new ATOM 114 N THR A 7 -4.379 -6.477 6.134 1.00 7.41 N ATOM 115 CA THR A 7 -5.661 -6.017 5.709 1.00 7.48 C ATOM 116 C THR A 7 -6.728 -6.159 6.769 1.00 8.75 C ATOM 117 O THR A 7 -6.609 -6.938 7.736 1.00 8.58 O ATOM 118 CB THR A 7 -6.164 -6.579 4.407 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.549 -7.916 4.546 1.00 11.78 O ATOM 120 CG2 THR A 7 -4.963 -6.582 3.412 1.00 9.17 C ATOM 0 H THR A 7 -4.391 -7.439 6.473 1.00 7.41 H new ATOM 0 HA THR A 7 -5.471 -4.959 5.529 1.00 7.48 H new ATOM 0 HB THR A 7 -7.012 -5.981 4.073 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.445 -8.039 4.168 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.287 -6.984 2.452 1.00 9.17 H new ATOM 0 HG22 THR A 7 -4.601 -5.563 3.275 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.160 -7.201 3.812 1.00 9.17 H new ATOM 128 N LEU A 8 -7.832 -5.365 6.646 1.00 9.84 N ATOM 129 CA LEU A 8 -8.913 -5.502 7.548 1.00 14.15 C ATOM 130 C LEU A 8 -9.860 -6.573 7.137 1.00 17.37 C ATOM 131 O LEU A 8 -10.891 -6.678 7.752 1.00 17.01 O ATOM 132 CB LEU A 8 -9.656 -4.172 7.743 1.00 16.63 C ATOM 133 CG LEU A 8 -8.728 -3.101 8.276 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.464 -1.801 8.489 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.947 -3.416 9.528 1.00 18.59 C ATOM 0 H LEU A 8 -7.955 -4.649 5.930 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.480 -5.797 8.504 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.083 -3.848 6.794 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.487 -4.314 8.434 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.982 -3.031 7.484 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.773 -1.050 8.872 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.882 -1.460 7.542 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.270 -1.953 9.207 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.325 -2.561 9.794 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.638 -3.630 10.344 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.313 -4.285 9.352 1.00 18.59 H new ATOM 147 N THR A 9 -9.494 -7.518 6.200 1.00 18.33 N ATOM 148 CA THR A 9 -10.234 -8.831 5.999 1.00 19.24 C ATOM 149 C THR A 9 -9.437 -9.836 6.847 1.00 19.48 C ATOM 150 O THR A 9 -9.765 -11.051 6.905 1.00 23.14 O ATOM 151 CB THR A 9 -10.398 -9.158 4.561 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.132 -9.329 3.877 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.047 -7.856 3.871 1.00 19.70 C ATOM 0 H THR A 9 -8.697 -7.400 5.574 1.00 18.33 H new ATOM 0 HA THR A 9 -11.272 -8.819 6.330 1.00 19.24 H new ATOM 0 HB THR A 9 -10.983 -10.075 4.492 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.296 -9.544 2.935 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.190 -8.042 2.807 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.010 -7.640 4.335 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.381 -7.004 4.004 1.00 19.70 H new ATOM 161 N GLY A 10 -8.461 -9.354 7.554 1.00 19.43 N ATOM 162 CA GLY A 10 -7.655 -10.106 8.524 1.00 18.74 C ATOM 163 C GLY A 10 -6.557 -10.976 7.948 1.00 17.62 C ATOM 164 O GLY A 10 -5.882 -11.619 8.760 1.00 19.74 O ATOM 0 H GLY A 10 -8.174 -8.378 7.482 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.202 -9.397 9.217 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.323 -10.739 9.108 1.00 18.74 H new ATOM 168 N LYS A 11 -6.338 -10.910 6.627 1.00 13.56 N ATOM 169 CA LYS A 11 -5.274 -11.661 5.921 1.00 11.91 C ATOM 170 C LYS A 11 -4.067 -10.845 5.742 1.00 10.18 C ATOM 171 O LYS A 11 -4.099 -9.670 6.134 1.00 9.10 O ATOM 172 CB LYS A 11 -5.843 -12.328 4.580 1.00 13.43 C ATOM 173 CG LYS A 11 -6.190 -11.318 3.336 1.00 16.69 C ATOM 174 CD LYS A 11 -6.724 -12.041 2.045 1.00 17.92 C ATOM 175 CE LYS A 11 -6.975 -11.140 0.847 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.821 -11.820 -0.125 1.00 21.93 N ATOM 0 H LYS A 11 -6.899 -10.328 6.005 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.950 -12.495 6.543 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.114 -13.059 4.230 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.750 -12.878 4.833 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.935 -10.595 3.668 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.292 -10.756 3.078 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.006 -12.808 1.756 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.654 -12.552 2.294 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.452 -10.215 1.172 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.027 -10.864 0.385 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.640 -11.433 -1.073 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.607 -12.838 -0.119 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.821 -11.675 0.123 1.00 21.93 H new ATOM 190 N THR A 12 -2.983 -11.508 5.283 1.00 9.63 N ATOM 191 CA THR A 12 -1.768 -10.809 4.915 1.00 9.85 C ATOM 192 C THR A 12 -1.529 -11.169 3.416 1.00 11.66 C ATOM 193 O THR A 12 -1.652 -12.323 3.038 1.00 12.33 O ATOM 194 CB THR A 12 -0.567 -11.325 5.655 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.699 -11.122 7.053 1.00 10.91 O ATOM 196 CG2 THR A 12 0.718 -10.684 5.198 1.00 9.63 C ATOM 0 H THR A 12 -2.941 -12.520 5.165 1.00 9.63 H new ATOM 0 HA THR A 12 -1.883 -9.747 5.130 1.00 9.85 H new ATOM 0 HB THR A 12 -0.520 -12.391 5.434 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.093 -11.727 7.530 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.552 -11.095 5.767 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.868 -10.886 4.137 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.665 -9.607 5.359 1.00 9.63 H new ATOM 204 N ILE A 13 -1.273 -10.152 2.559 1.00 10.42 N ATOM 205 CA ILE A 13 -1.203 -10.222 1.112 1.00 11.84 C ATOM 206 C ILE A 13 0.263 -9.936 0.681 1.00 10.55 C ATOM 207 O ILE A 13 0.768 -8.825 0.749 1.00 11.92 O ATOM 208 CB ILE A 13 -2.079 -9.264 0.400 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.532 -9.461 0.908 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.085 -9.686 -1.095 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.495 -8.430 0.305 1.00 16.46 C ATOM 0 H ILE A 13 -1.101 -9.206 2.901 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.547 -11.220 0.840 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.738 -8.240 0.551 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.871 -10.466 0.656 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.550 -9.382 1.995 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.720 -9.006 -1.662 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.069 -9.647 -1.488 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.470 -10.702 -1.185 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.501 -8.604 0.687 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.171 -7.426 0.579 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.498 -8.526 -0.781 1.00 16.46 H new ATOM 223 N THR A 14 1.013 -10.896 0.171 1.00 9.39 N ATOM 224 CA THR A 14 2.356 -10.595 -0.365 1.00 9.63 C ATOM 225 C THR A 14 2.278 -9.943 -1.682 1.00 11.20 C ATOM 226 O THR A 14 1.622 -10.517 -2.596 1.00 11.63 O ATOM 227 CB THR A 14 3.302 -11.751 -0.424 1.00 10.38 C ATOM 228 OG1 THR A 14 3.207 -12.589 0.739 1.00 16.30 O ATOM 229 CG2 THR A 14 4.783 -11.235 -0.454 1.00 11.66 C ATOM 0 H THR A 14 0.736 -11.876 0.110 1.00 9.39 H new ATOM 0 HA THR A 14 2.779 -9.909 0.369 1.00 9.63 H new ATOM 0 HB THR A 14 3.037 -12.312 -1.320 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.564 -12.111 1.516 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.464 -12.085 -0.497 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.932 -10.606 -1.332 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.984 -10.654 0.446 1.00 11.66 H new ATOM 237 N LEU A 15 2.941 -8.789 -1.881 1.00 8.29 N ATOM 238 CA LEU A 15 3.021 -8.149 -3.169 1.00 9.03 C ATOM 239 C LEU A 15 4.455 -8.066 -3.640 1.00 8.59 C ATOM 240 O LEU A 15 5.345 -7.822 -2.831 1.00 7.79 O ATOM 241 CB LEU A 15 2.461 -6.768 -3.235 1.00 11.08 C ATOM 242 CG LEU A 15 0.914 -6.678 -2.848 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.511 -5.213 -2.818 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.034 -7.456 -3.744 1.00 15.27 C ATOM 0 H LEU A 15 3.431 -8.288 -1.140 1.00 8.29 H new ATOM 0 HA LEU A 15 2.407 -8.785 -3.807 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.031 -6.123 -2.566 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.596 -6.379 -4.244 1.00 11.08 H new ATOM 0 HG LEU A 15 0.819 -7.153 -1.872 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.544 -5.131 -2.555 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.112 -4.686 -2.077 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.676 -4.770 -3.800 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.057 -7.326 -3.392 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.047 -7.088 -4.767 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.227 -8.514 -3.718 1.00 15.27 H new ATOM 256 N GLU A 16 4.638 -8.258 -4.980 1.00 11.04 N ATOM 257 CA GLU A 16 6.000 -8.211 -5.509 1.00 11.50 C ATOM 258 C GLU A 16 6.273 -6.884 -6.114 1.00 10.13 C ATOM 259 O GLU A 16 5.484 -6.343 -6.925 1.00 9.83 O ATOM 260 CB GLU A 16 6.226 -9.232 -6.633 1.00 17.22 C ATOM 261 CG GLU A 16 7.738 -9.371 -6.913 1.00 23.33 C ATOM 262 CD GLU A 16 8.075 -10.619 -7.697 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.967 -11.652 -7.026 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.324 -10.577 -8.939 1.00 28.86 O ATOM 0 H GLU A 16 3.900 -8.435 -5.661 1.00 11.04 H new ATOM 0 HA GLU A 16 6.653 -8.425 -4.663 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.809 -10.198 -6.349 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.707 -8.913 -7.537 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.083 -8.496 -7.465 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.279 -9.385 -5.967 1.00 23.33 H new ATOM 271 N VAL A 17 7.340 -6.284 -5.570 1.00 8.99 N ATOM 272 CA VAL A 17 7.688 -4.885 -5.926 1.00 8.85 C ATOM 273 C VAL A 17 9.207 -4.819 -6.194 1.00 8.04 C ATOM 274 O VAL A 17 9.946 -5.814 -6.141 1.00 8.99 O ATOM 275 CB VAL A 17 7.152 -3.868 -4.878 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.626 -3.758 -4.857 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.723 -4.222 -3.469 1.00 10.54 C ATOM 0 H VAL A 17 7.968 -6.724 -4.898 1.00 8.99 H new ATOM 0 HA VAL A 17 7.186 -4.580 -6.844 1.00 8.85 H new ATOM 0 HB VAL A 17 7.503 -2.880 -5.175 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.324 -3.031 -4.103 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.271 -3.435 -5.835 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.194 -4.730 -4.618 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.347 -3.509 -2.735 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.409 -5.228 -3.192 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.812 -4.176 -3.496 1.00 10.54 H new ATOM 287 N GLU A 18 9.660 -3.589 -6.457 1.00 7.29 N ATOM 288 CA GLU A 18 11.051 -3.291 -6.473 1.00 7.08 C ATOM 289 C GLU A 18 11.050 -1.835 -5.954 1.00 6.45 C ATOM 290 O GLU A 18 9.985 -1.175 -6.011 1.00 5.28 O ATOM 291 CB GLU A 18 11.745 -3.545 -7.833 1.00 10.28 C ATOM 292 CG GLU A 18 11.298 -2.553 -8.916 1.00 12.65 C ATOM 293 CD GLU A 18 12.200 -2.723 -10.124 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.879 -3.542 -10.950 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.225 -1.942 -10.189 1.00 18.17 O ATOM 0 H GLU A 18 9.057 -2.792 -6.661 1.00 7.29 H new ATOM 0 HA GLU A 18 11.665 -3.949 -5.858 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.825 -3.475 -7.705 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.528 -4.561 -8.164 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.259 -2.734 -9.190 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.355 -1.531 -8.541 1.00 12.65 H new ATOM 302 N PRO A 19 12.175 -1.342 -5.487 1.00 7.24 N ATOM 303 CA PRO A 19 12.355 0.001 -5.027 1.00 7.07 C ATOM 304 C PRO A 19 11.702 1.143 -5.796 1.00 6.65 C ATOM 305 O PRO A 19 11.237 2.065 -5.170 1.00 6.37 O ATOM 306 CB PRO A 19 13.896 0.255 -4.980 1.00 7.61 C ATOM 307 CG PRO A 19 14.379 -1.095 -4.661 1.00 8.16 C ATOM 308 CD PRO A 19 13.471 -2.009 -5.535 1.00 7.49 C ATOM 0 HA PRO A 19 11.835 0.033 -4.069 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.285 0.621 -5.930 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.173 0.985 -4.220 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.433 -1.216 -4.911 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.275 -1.320 -3.600 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.845 -2.088 -6.556 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.417 -3.022 -5.136 1.00 7.49 H new ATOM 316 N SER A 20 11.859 1.157 -7.146 1.00 6.80 N ATOM 317 CA SER A 20 11.347 2.209 -8.017 1.00 6.28 C ATOM 318 C SER A 20 9.843 2.038 -8.408 1.00 8.45 C ATOM 319 O SER A 20 9.331 2.658 -9.333 1.00 7.26 O ATOM 320 CB SER A 20 12.127 2.144 -9.354 1.00 8.57 C ATOM 321 OG SER A 20 11.940 0.930 -10.059 1.00 11.13 O ATOM 0 H SER A 20 12.353 0.421 -7.651 1.00 6.80 H new ATOM 0 HA SER A 20 11.462 3.142 -7.465 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.816 2.974 -9.988 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.190 2.278 -9.152 1.00 8.57 H new ATOM 0 HG SER A 20 12.633 0.289 -9.796 1.00 11.13 H new ATOM 327 N ASP A 21 9.109 1.142 -7.749 1.00 7.50 N ATOM 328 CA ASP A 21 7.666 1.116 -7.821 1.00 7.70 C ATOM 329 C ASP A 21 7.156 2.265 -6.944 1.00 7.08 C ATOM 330 O ASP A 21 7.868 2.794 -6.057 1.00 8.11 O ATOM 331 CB ASP A 21 7.270 -0.228 -7.215 1.00 11.00 C ATOM 332 CG ASP A 21 7.458 -1.321 -8.234 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.804 -1.052 -9.399 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.085 -2.485 -7.908 1.00 18.03 O ATOM 0 H ASP A 21 9.508 0.417 -7.152 1.00 7.50 H new ATOM 0 HA ASP A 21 7.264 1.227 -8.828 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.876 -0.432 -6.333 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.231 -0.198 -6.888 1.00 11.00 H new ATOM 339 N THR A 22 5.941 2.832 -7.222 1.00 5.37 N ATOM 340 CA THR A 22 5.397 3.968 -6.443 1.00 6.01 C ATOM 341 C THR A 22 4.203 3.436 -5.636 1.00 8.01 C ATOM 342 O THR A 22 3.776 2.275 -5.797 1.00 8.11 O ATOM 343 CB THR A 22 4.912 5.220 -7.226 1.00 8.92 C ATOM 344 OG1 THR A 22 3.931 4.952 -8.233 1.00 10.22 O ATOM 345 CG2 THR A 22 6.081 5.825 -7.932 1.00 9.65 C ATOM 0 H THR A 22 5.331 2.516 -7.976 1.00 5.37 H new ATOM 0 HA THR A 22 6.240 4.328 -5.854 1.00 6.01 H new ATOM 0 HB THR A 22 4.458 5.872 -6.480 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.973 4.006 -8.487 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.756 6.705 -8.486 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.837 6.115 -7.202 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.505 5.097 -8.624 1.00 9.65 H new ATOM 353 N ILE A 23 3.660 4.205 -4.600 1.00 8.32 N ATOM 354 CA ILE A 23 2.596 3.817 -3.758 1.00 9.92 C ATOM 355 C ILE A 23 1.336 3.522 -4.577 1.00 10.01 C ATOM 356 O ILE A 23 0.591 2.588 -4.298 1.00 8.71 O ATOM 357 CB ILE A 23 2.357 4.864 -2.677 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.616 5.108 -1.817 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.067 4.553 -1.811 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.371 3.819 -1.294 1.00 12.30 C ATOM 0 H ILE A 23 4.014 5.135 -4.378 1.00 8.32 H new ATOM 0 HA ILE A 23 2.867 2.891 -3.250 1.00 9.92 H new ATOM 0 HB ILE A 23 2.152 5.805 -3.188 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.319 5.702 -2.401 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.329 5.710 -0.955 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.941 5.328 -1.055 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.190 4.532 -2.459 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.181 3.585 -1.323 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.237 4.119 -0.703 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.696 3.228 -0.675 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.701 3.221 -2.143 1.00 12.30 H new ATOM 372 N GLU A 24 1.056 4.225 -5.709 1.00 9.54 N ATOM 373 CA GLU A 24 0.035 3.906 -6.692 1.00 11.81 C ATOM 374 C GLU A 24 0.289 2.541 -7.353 1.00 11.14 C ATOM 375 O GLU A 24 -0.682 1.884 -7.693 1.00 10.62 O ATOM 376 CB GLU A 24 -0.071 4.951 -7.807 1.00 19.24 C ATOM 377 CG GLU A 24 -1.295 4.843 -8.729 1.00 27.76 C ATOM 378 CD GLU A 24 -1.169 5.681 -9.965 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.210 6.952 -9.937 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.975 5.024 -11.023 1.00 36.51 O ATOM 0 H GLU A 24 1.574 5.069 -5.954 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.899 3.890 -6.130 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.074 5.940 -7.349 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.827 4.887 -8.422 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.437 3.801 -9.015 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.186 5.147 -8.179 1.00 27.76 H new ATOM 387 N ASN A 25 1.551 2.088 -7.607 1.00 9.43 N ATOM 388 CA ASN A 25 1.834 0.785 -8.181 1.00 10.96 C ATOM 389 C ASN A 25 1.458 -0.332 -7.177 1.00 9.68 C ATOM 390 O ASN A 25 0.874 -1.365 -7.525 1.00 9.33 O ATOM 391 CB ASN A 25 3.356 0.633 -8.548 1.00 16.78 C ATOM 392 CG ASN A 25 3.657 1.585 -9.707 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.275 2.626 -9.517 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.224 1.218 -10.930 1.00 24.70 N ATOM 0 H ASN A 25 2.388 2.637 -7.410 1.00 9.43 H new ATOM 0 HA ASN A 25 1.240 0.696 -9.090 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.982 0.870 -7.687 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.579 -0.396 -8.831 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.408 1.815 -11.736 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.713 0.344 -11.049 1.00 24.70 H new ATOM 401 N VAL A 26 1.698 -0.015 -5.927 1.00 6.52 N ATOM 402 CA VAL A 26 1.247 -0.866 -4.777 1.00 5.53 C ATOM 403 C VAL A 26 -0.245 -0.954 -4.609 1.00 4.42 C ATOM 404 O VAL A 26 -0.799 -1.998 -4.480 1.00 3.40 O ATOM 405 CB VAL A 26 1.793 -0.374 -3.414 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.488 -1.385 -2.328 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.318 -0.310 -3.587 1.00 8.12 C ATOM 0 H VAL A 26 2.204 0.825 -5.647 1.00 6.52 H new ATOM 0 HA VAL A 26 1.648 -1.844 -5.044 1.00 5.53 H new ATOM 0 HB VAL A 26 1.349 0.581 -3.135 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.878 -1.025 -1.376 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.409 -1.521 -2.250 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.957 -2.337 -2.575 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.775 0.032 -2.659 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.698 -1.301 -3.835 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.564 0.385 -4.390 1.00 8.12 H new ATOM 417 N LYS A 27 -0.984 0.163 -4.696 1.00 2.64 N ATOM 418 CA LYS A 27 -2.458 0.189 -4.801 1.00 4.14 C ATOM 419 C LYS A 27 -3.028 -0.570 -5.959 1.00 5.58 C ATOM 420 O LYS A 27 -4.058 -1.259 -5.820 1.00 4.11 O ATOM 421 CB LYS A 27 -2.981 1.684 -4.620 1.00 3.97 C ATOM 422 CG LYS A 27 -2.698 2.225 -3.207 1.00 7.45 C ATOM 423 CD LYS A 27 -2.807 3.739 -3.056 1.00 9.02 C ATOM 424 CE LYS A 27 -2.832 4.230 -1.590 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.299 5.618 -1.546 1.00 15.47 N ATOM 0 H LYS A 27 -0.568 1.095 -4.696 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.864 -0.392 -3.973 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.502 2.328 -5.358 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.053 1.719 -4.814 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.392 1.756 -2.510 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.694 1.918 -2.912 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -1.966 4.205 -3.569 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.714 4.078 -3.556 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.488 3.596 -0.994 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.836 4.157 -1.154 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.679 6.173 -0.922 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.277 6.022 -2.504 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.272 5.645 -1.181 1.00 15.47 H new ATOM 439 N ALA A 28 -2.419 -0.318 -7.116 1.00 6.61 N ATOM 440 CA ALA A 28 -2.806 -1.035 -8.418 1.00 7.74 C ATOM 441 C ALA A 28 -2.648 -2.522 -8.270 1.00 9.17 C ATOM 442 O ALA A 28 -3.592 -3.244 -8.759 1.00 11.45 O ATOM 443 CB ALA A 28 -1.929 -0.432 -9.584 1.00 7.68 C ATOM 0 H ALA A 28 -1.663 0.359 -7.221 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.857 -0.873 -8.657 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.184 -0.924 -10.523 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.124 0.637 -9.670 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.873 -0.592 -9.365 1.00 7.68 H new ATOM 449 N LYS A 29 -1.610 -3.026 -7.599 1.00 8.96 N ATOM 450 CA LYS A 29 -1.445 -4.472 -7.470 1.00 7.90 C ATOM 451 C LYS A 29 -2.385 -5.028 -6.417 1.00 6.92 C ATOM 452 O LYS A 29 -2.661 -6.239 -6.426 1.00 6.87 O ATOM 453 CB LYS A 29 0.030 -4.794 -7.207 1.00 10.28 C ATOM 454 CG LYS A 29 0.288 -6.258 -7.684 1.00 14.94 C ATOM 455 CD LYS A 29 1.721 -6.760 -7.735 1.00 19.69 C ATOM 456 CE LYS A 29 2.557 -6.222 -8.918 1.00 22.63 C ATOM 457 NZ LYS A 29 1.975 -6.725 -10.187 1.00 24.98 N ATOM 0 H LYS A 29 -0.887 -2.467 -7.146 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.720 -4.967 -8.401 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.675 -4.098 -7.743 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.261 -4.691 -6.147 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.274 -6.924 -7.029 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.135 -6.361 -8.683 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.219 -6.489 -6.804 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.708 -7.849 -7.784 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.561 -5.132 -8.911 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.594 -6.545 -8.825 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.676 -6.636 -10.950 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.710 -7.725 -10.075 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.130 -6.168 -10.426 1.00 24.98 H new ATOM 471 N ILE A 30 -2.950 -4.296 -5.440 1.00 4.57 N ATOM 472 CA ILE A 30 -4.069 -4.702 -4.608 1.00 5.58 C ATOM 473 C ILE A 30 -5.367 -4.760 -5.362 1.00 7.26 C ATOM 474 O ILE A 30 -6.220 -5.591 -5.047 1.00 9.46 O ATOM 475 CB ILE A 30 -4.155 -3.793 -3.338 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.036 -4.121 -2.384 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.543 -3.867 -2.595 1.00 2.78 C ATOM 478 CD1 ILE A 30 -3.058 -5.603 -1.832 1.00 2.00 C ATOM 0 H ILE A 30 -2.613 -3.362 -5.208 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.884 -5.725 -4.281 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.054 -2.767 -3.693 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.084 -3.948 -2.887 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.081 -3.432 -1.541 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.526 -3.210 -1.725 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.336 -3.551 -3.273 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.729 -4.891 -2.272 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.218 -5.751 -1.153 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.992 -5.778 -1.297 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.980 -6.302 -2.664 1.00 2.00 H new ATOM 490 N GLN A 31 -5.594 -3.835 -6.304 1.00 7.06 N ATOM 491 CA GLN A 31 -6.615 -3.913 -7.306 1.00 8.67 C ATOM 492 C GLN A 31 -6.538 -5.192 -8.100 1.00 10.90 C ATOM 493 O GLN A 31 -7.466 -5.943 -8.271 1.00 9.63 O ATOM 494 CB GLN A 31 -6.760 -2.712 -8.246 1.00 9.12 C ATOM 495 CG GLN A 31 -8.122 -2.727 -8.964 1.00 10.76 C ATOM 496 CD GLN A 31 -8.284 -1.472 -9.882 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.419 -1.081 -10.604 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.397 -0.744 -9.751 1.00 14.76 N ATOM 0 H GLN A 31 -5.037 -2.984 -6.374 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.525 -3.899 -6.706 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.656 -1.788 -7.678 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.957 -2.725 -8.983 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.212 -3.634 -9.562 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.925 -2.750 -8.228 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.146 -1.064 -9.138 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.497 0.132 -10.264 1.00 14.76 H new ATOM 507 N ASP A 32 -5.337 -5.615 -8.464 1.00 10.93 N ATOM 508 CA ASP A 32 -5.030 -6.952 -9.021 1.00 14.01 C ATOM 509 C ASP A 32 -5.441 -8.095 -8.133 1.00 14.04 C ATOM 510 O ASP A 32 -6.088 -9.009 -8.683 1.00 13.39 O ATOM 511 CB ASP A 32 -3.541 -7.068 -9.467 1.00 18.01 C ATOM 512 CG ASP A 32 -3.307 -8.044 -10.571 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.843 -7.773 -11.693 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.574 -9.026 -10.412 1.00 26.29 O ATOM 0 H ASP A 32 -4.509 -5.025 -8.382 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.652 -7.042 -9.912 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.191 -6.086 -9.785 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.937 -7.358 -8.607 1.00 18.01 H new ATOM 519 N LYS A 33 -5.145 -8.106 -6.828 1.00 14.22 N ATOM 520 CA LYS A 33 -5.556 -9.186 -5.950 1.00 14.00 C ATOM 521 C LYS A 33 -7.052 -9.148 -5.519 1.00 12.37 C ATOM 522 O LYS A 33 -7.663 -10.184 -5.324 1.00 12.17 O ATOM 523 CB LYS A 33 -4.772 -9.024 -4.592 1.00 18.62 C ATOM 524 CG LYS A 33 -3.232 -9.285 -4.621 1.00 24.00 C ATOM 525 CD LYS A 33 -2.989 -10.767 -4.585 1.00 27.61 C ATOM 526 CE LYS A 33 -1.537 -11.164 -4.785 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.410 -12.644 -4.781 1.00 30.06 N ATOM 0 H LYS A 33 -4.617 -7.368 -6.362 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.367 -10.102 -6.510 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.936 -8.010 -4.226 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.216 -9.702 -3.863 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.793 -8.853 -5.520 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.752 -8.803 -3.769 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.332 -11.157 -3.627 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.594 -11.242 -5.357 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.168 -10.762 -5.728 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.922 -10.736 -3.994 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.413 -12.907 -4.918 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.745 -13.019 -3.870 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.983 -13.044 -5.551 1.00 30.06 H new ATOM 541 N GLU A 34 -7.638 -7.993 -5.316 1.00 10.11 N ATOM 542 CA GLU A 34 -8.867 -7.799 -4.593 1.00 10.07 C ATOM 543 C GLU A 34 -9.930 -6.918 -5.296 1.00 9.32 C ATOM 544 O GLU A 34 -11.095 -6.996 -4.965 1.00 11.61 O ATOM 545 CB GLU A 34 -8.686 -7.050 -3.237 1.00 14.77 C ATOM 546 CG GLU A 34 -7.720 -7.636 -2.234 1.00 18.75 C ATOM 547 CD GLU A 34 -8.253 -8.994 -1.746 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.216 -9.020 -0.924 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.797 -10.077 -2.169 1.00 25.19 O ATOM 0 H GLU A 34 -7.249 -7.119 -5.670 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.189 -8.836 -4.495 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.365 -6.032 -3.457 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.663 -6.980 -2.760 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.737 -7.761 -2.689 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.597 -6.956 -1.391 1.00 18.75 H new ATOM 556 N GLY A 35 -9.555 -6.081 -6.305 1.00 7.22 N ATOM 557 CA GLY A 35 -10.409 -5.153 -6.965 1.00 6.29 C ATOM 558 C GLY A 35 -10.725 -3.911 -6.212 1.00 6.93 C ATOM 559 O GLY A 35 -11.758 -3.275 -6.457 1.00 7.41 O ATOM 0 H GLY A 35 -8.602 -6.064 -6.667 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.946 -4.873 -7.911 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.345 -5.657 -7.205 1.00 6.29 H new ATOM 563 N ILE A 36 -9.794 -3.424 -5.392 1.00 5.86 N ATOM 564 CA ILE A 36 -10.051 -2.237 -4.664 1.00 6.07 C ATOM 565 C ILE A 36 -9.464 -1.089 -5.482 1.00 6.36 C ATOM 566 O ILE A 36 -8.261 -1.273 -5.816 1.00 6.18 O ATOM 567 CB ILE A 36 -9.407 -2.396 -3.305 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.004 -3.569 -2.464 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.553 -1.044 -2.548 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.116 -4.036 -1.262 1.00 9.49 C ATOM 0 H ILE A 36 -8.878 -3.843 -5.234 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.109 -2.033 -4.503 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.358 -2.655 -3.452 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.977 -3.263 -2.081 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.174 -4.420 -3.124 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.097 -1.128 -1.562 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.055 -0.255 -3.112 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.610 -0.800 -2.439 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.613 -4.853 -0.739 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.150 -4.378 -1.634 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.966 -3.203 -0.575 1.00 9.49 H new ATOM 582 N PRO A 37 -10.127 -0.016 -5.757 1.00 8.65 N ATOM 583 CA PRO A 37 -9.578 1.119 -6.510 1.00 9.18 C ATOM 584 C PRO A 37 -8.423 1.811 -5.781 1.00 9.85 C ATOM 585 O PRO A 37 -8.462 1.927 -4.563 1.00 8.51 O ATOM 586 CB PRO A 37 -10.795 2.018 -6.626 1.00 11.42 C ATOM 587 CG PRO A 37 -11.964 1.055 -6.708 1.00 9.27 C ATOM 588 CD PRO A 37 -11.570 0.071 -5.685 1.00 8.33 C ATOM 0 HA PRO A 37 -9.137 0.835 -7.465 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.884 2.680 -5.765 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.739 2.652 -7.511 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.915 1.536 -6.477 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.065 0.608 -7.697 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.894 0.387 -4.693 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.030 -0.898 -5.877 1.00 8.33 H new ATOM 596 N PRO A 38 -7.358 2.298 -6.474 1.00 8.71 N ATOM 597 CA PRO A 38 -6.343 3.200 -5.932 1.00 9.08 C ATOM 598 C PRO A 38 -6.911 4.422 -5.189 1.00 9.28 C ATOM 599 O PRO A 38 -6.447 4.747 -4.085 1.00 6.50 O ATOM 600 CB PRO A 38 -5.445 3.520 -7.141 1.00 10.31 C ATOM 601 CG PRO A 38 -5.497 2.238 -7.965 1.00 10.81 C ATOM 602 CD PRO A 38 -7.007 1.823 -7.838 1.00 12.00 C ATOM 0 HA PRO A 38 -5.769 2.740 -5.128 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.818 4.376 -7.704 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.427 3.760 -6.834 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.207 2.408 -9.002 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.830 1.472 -7.569 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.623 2.295 -8.603 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.142 0.746 -7.940 1.00 12.00 H new ATOM 610 N ASP A 39 -7.926 5.118 -5.737 1.00 11.20 N ATOM 611 CA ASP A 39 -8.572 6.222 -4.992 1.00 14.96 C ATOM 612 C ASP A 39 -9.306 5.699 -3.703 1.00 13.99 C ATOM 613 O ASP A 39 -9.566 6.500 -2.818 1.00 13.75 O ATOM 614 CB ASP A 39 -9.639 7.012 -5.892 1.00 24.16 C ATOM 615 CG ASP A 39 -9.008 7.754 -7.008 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.121 8.594 -6.717 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.374 7.634 -8.217 1.00 34.22 O ATOM 0 H ASP A 39 -8.310 4.945 -6.666 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.767 6.900 -4.709 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.363 6.304 -6.295 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.192 7.710 -5.264 1.00 24.16 H new ATOM 622 N GLN A 40 -9.615 4.417 -3.462 1.00 11.60 N ATOM 623 CA GLN A 40 -10.122 3.937 -2.175 1.00 10.76 C ATOM 624 C GLN A 40 -9.131 3.543 -1.126 1.00 8.01 C ATOM 625 O GLN A 40 -9.520 3.162 -0.014 1.00 8.96 O ATOM 626 CB GLN A 40 -11.098 2.818 -2.398 1.00 11.14 C ATOM 627 CG GLN A 40 -12.403 3.196 -3.116 1.00 14.85 C ATOM 628 CD GLN A 40 -13.422 2.016 -3.129 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.176 1.043 -2.444 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.502 2.159 -3.866 1.00 18.16 N ATOM 0 H GLN A 40 -9.518 3.681 -4.162 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.590 4.825 -1.750 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.601 2.039 -2.976 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.351 2.385 -1.430 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.852 4.058 -2.623 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.180 3.495 -4.140 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.636 3.008 -4.415 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.205 1.421 -3.889 1.00 18.16 H new ATOM 639 N GLN A 41 -7.829 3.597 -1.294 1.00 6.52 N ATOM 640 CA GLN A 41 -6.902 2.884 -0.385 1.00 3.87 C ATOM 641 C GLN A 41 -6.079 3.856 0.500 1.00 4.79 C ATOM 642 O GLN A 41 -5.464 4.772 -0.029 1.00 6.34 O ATOM 643 CB GLN A 41 -5.932 1.928 -1.062 1.00 4.20 C ATOM 644 CG GLN A 41 -6.637 0.743 -1.819 1.00 3.20 C ATOM 645 CD GLN A 41 -5.669 0.157 -2.754 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.602 -0.257 -2.330 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.093 -0.013 -4.027 1.00 7.13 N ATOM 0 H GLN A 41 -7.371 4.119 -2.041 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.579 2.285 0.224 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.320 2.487 -1.770 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.257 1.517 -0.311 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.984 -0.009 -1.110 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.514 1.103 -2.356 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.997 0.359 -4.317 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.508 -0.513 -4.697 1.00 7.13 H new ATOM 656 N ARG A 42 -6.013 3.590 1.779 1.00 5.73 N ATOM 657 CA ARG A 42 -5.237 4.304 2.799 1.00 6.97 C ATOM 658 C ARG A 42 -4.127 3.311 3.265 1.00 7.15 C ATOM 659 O ARG A 42 -4.334 2.421 4.092 1.00 7.33 O ATOM 660 CB ARG A 42 -6.155 4.738 3.973 1.00 13.23 C ATOM 661 CG ARG A 42 -7.095 5.935 3.677 1.00 21.27 C ATOM 662 CD ARG A 42 -7.398 6.730 4.899 1.00 26.14 C ATOM 663 NE ARG A 42 -8.074 8.037 4.332 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.054 8.790 4.910 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.768 8.295 5.913 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.324 9.979 4.440 1.00 36.39 N ATOM 0 H ARG A 42 -6.535 2.811 2.180 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.793 5.220 2.408 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.765 3.884 4.270 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.527 4.994 4.827 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.633 6.581 2.931 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.026 5.566 3.246 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.066 6.192 5.572 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.494 6.959 5.463 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.738 8.358 3.424 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.584 7.351 6.252 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.500 8.859 6.345 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.802 10.343 3.642 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.056 10.543 4.871 1.00 36.39 H new ATOM 680 N LEU A 43 -2.921 3.461 2.859 1.00 4.65 N ATOM 681 CA LEU A 43 -1.805 2.679 3.307 1.00 3.51 C ATOM 682 C LEU A 43 -1.038 3.416 4.440 1.00 5.56 C ATOM 683 O LEU A 43 -0.554 4.503 4.241 1.00 4.19 O ATOM 684 CB LEU A 43 -0.860 2.416 2.126 1.00 3.74 C ATOM 685 CG LEU A 43 -1.228 1.276 1.198 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.213 1.217 0.023 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.339 -0.063 1.934 1.00 6.41 C ATOM 0 H LEU A 43 -2.661 4.166 2.170 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.175 1.732 3.701 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.794 3.329 1.534 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.136 2.222 2.524 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.221 1.469 0.792 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.477 0.397 -0.645 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.239 2.157 -0.528 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.790 1.055 0.417 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.605 -0.847 1.225 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.383 -0.303 2.399 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.109 0.007 2.703 1.00 6.41 H new ATOM 699 N ILE A 44 -0.999 2.781 5.639 1.00 4.58 N ATOM 700 CA ILE A 44 -0.344 3.354 6.770 1.00 5.55 C ATOM 701 C ILE A 44 0.916 2.556 6.904 1.00 5.46 C ATOM 702 O ILE A 44 0.884 1.300 6.936 1.00 6.04 O ATOM 703 CB ILE A 44 -1.299 3.291 8.042 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.369 4.462 8.058 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.431 3.472 9.324 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.584 4.192 7.188 1.00 13.90 C ATOM 0 H ILE A 44 -1.424 1.871 5.815 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.108 4.413 6.666 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.816 2.332 8.006 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.698 4.628 9.084 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.891 5.383 7.724 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.071 3.431 10.205 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.311 2.675 9.377 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.075 4.437 9.287 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.271 5.036 7.250 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.268 4.056 6.154 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.087 3.289 7.535 1.00 13.90 H new ATOM 718 N PHE A 45 2.093 3.239 6.996 1.00 6.75 N ATOM 719 CA PHE A 45 3.347 2.523 7.195 1.00 4.70 C ATOM 720 C PHE A 45 4.100 3.280 8.285 1.00 6.34 C ATOM 721 O PHE A 45 4.309 4.500 8.165 1.00 5.45 O ATOM 722 CB PHE A 45 4.207 2.482 5.870 1.00 5.51 C ATOM 723 CG PHE A 45 5.493 1.730 5.921 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.444 0.340 6.150 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.762 2.396 5.867 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.648 -0.361 6.299 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.914 1.629 5.989 1.00 6.64 C ATOM 728 CZ PHE A 45 7.939 0.290 6.243 1.00 6.84 C ATOM 0 H PHE A 45 2.180 4.253 6.935 1.00 6.75 H new ATOM 0 HA PHE A 45 3.156 1.487 7.476 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.593 2.049 5.081 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.426 3.509 5.577 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.496 -0.175 6.209 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.821 3.466 5.735 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.611 -1.428 6.462 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.863 2.132 5.874 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.862 -0.250 6.393 1.00 6.84 H new ATOM 738 N ALA A 46 4.537 2.566 9.342 1.00 6.53 N ATOM 739 CA ALA A 46 5.193 3.153 10.521 1.00 7.15 C ATOM 740 C ALA A 46 4.342 4.247 11.127 1.00 9.00 C ATOM 741 O ALA A 46 4.785 5.351 11.444 1.00 11.15 O ATOM 742 CB ALA A 46 6.628 3.632 10.261 1.00 8.99 C ATOM 0 H ALA A 46 4.441 1.552 9.398 1.00 6.53 H new ATOM 0 HA ALA A 46 5.287 2.344 11.246 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.043 4.052 11.177 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.240 2.790 9.938 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.621 4.395 9.483 1.00 8.99 H new ATOM 748 N GLY A 47 3.003 4.104 11.196 1.00 9.35 N ATOM 749 CA GLY A 47 2.077 5.048 11.758 1.00 11.68 C ATOM 750 C GLY A 47 1.706 6.255 10.907 1.00 11.14 C ATOM 751 O GLY A 47 1.022 7.115 11.434 1.00 13.93 O ATOM 0 H GLY A 47 2.535 3.273 10.835 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.159 4.514 12.004 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.495 5.413 12.696 1.00 11.68 H new ATOM 755 N LYS A 48 2.161 6.428 9.634 1.00 10.47 N ATOM 756 CA LYS A 48 1.750 7.492 8.791 1.00 8.82 C ATOM 757 C LYS A 48 1.264 7.039 7.420 1.00 7.68 C ATOM 758 O LYS A 48 1.629 5.948 6.922 1.00 6.47 O ATOM 759 CB LYS A 48 2.866 8.564 8.695 1.00 9.74 C ATOM 760 CG LYS A 48 4.281 8.073 8.266 1.00 14.14 C ATOM 761 CD LYS A 48 4.601 8.069 6.780 1.00 16.32 C ATOM 762 CE LYS A 48 5.518 7.027 6.210 1.00 20.04 C ATOM 763 NZ LYS A 48 6.802 7.020 7.012 1.00 23.92 N ATOM 0 H LYS A 48 2.834 5.799 9.196 1.00 10.47 H new ATOM 0 HA LYS A 48 0.874 7.944 9.257 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.543 9.327 7.987 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.955 9.048 9.667 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.020 8.697 8.768 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.413 7.058 8.641 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.654 7.994 6.245 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.027 9.043 6.538 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.044 6.046 6.246 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.728 7.241 5.162 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.467 6.337 6.596 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.226 7.970 6.997 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.596 6.748 7.995 1.00 23.92 H new ATOM 777 N GLN A 49 0.357 7.849 6.808 1.00 8.89 N ATOM 778 CA GLN A 49 -0.357 7.638 5.562 1.00 7.18 C ATOM 779 C GLN A 49 0.525 7.924 4.364 1.00 8.23 C ATOM 780 O GLN A 49 0.910 9.069 4.161 1.00 9.70 O ATOM 781 CB GLN A 49 -1.721 8.419 5.477 1.00 11.67 C ATOM 782 CG GLN A 49 -2.877 7.668 6.159 1.00 15.82 C ATOM 783 CD GLN A 49 -4.162 8.374 5.914 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.367 8.983 4.844 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.037 8.416 6.988 1.00 20.67 N ATOM 0 H GLN A 49 0.099 8.741 7.230 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.621 6.581 5.545 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.604 9.398 5.942 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.972 8.591 4.430 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.935 6.649 5.776 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.692 7.596 7.231 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.823 7.900 7.841 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.895 8.963 6.925 1.00 20.67 H new ATOM 794 N LEU A 50 0.748 6.958 3.429 1.00 6.51 N ATOM 795 CA LEU A 50 1.554 7.135 2.247 1.00 7.41 C ATOM 796 C LEU A 50 0.886 7.969 1.166 1.00 8.27 C ATOM 797 O LEU A 50 -0.335 7.999 1.008 1.00 8.34 O ATOM 798 CB LEU A 50 2.117 5.745 1.817 1.00 7.13 C ATOM 799 CG LEU A 50 2.813 4.890 2.892 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.423 3.664 2.281 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.899 5.651 3.609 1.00 9.11 C ATOM 0 H LEU A 50 0.350 6.022 3.504 1.00 6.51 H new ATOM 0 HA LEU A 50 2.416 7.763 2.472 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.293 5.162 1.407 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.827 5.907 1.006 1.00 7.13 H new ATOM 0 HG LEU A 50 2.042 4.613 3.611 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.910 3.074 3.058 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.644 3.067 1.807 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.160 3.958 1.534 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.361 5.007 4.358 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.654 5.972 2.891 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.469 6.525 4.098 1.00 9.11 H new ATOM 813 N GLU A 51 1.651 8.699 0.317 1.00 9.43 N ATOM 814 CA GLU A 51 1.167 9.424 -0.850 1.00 11.90 C ATOM 815 C GLU A 51 1.540 8.647 -2.123 1.00 11.49 C ATOM 816 O GLU A 51 2.639 8.128 -2.273 1.00 9.88 O ATOM 817 CB GLU A 51 1.779 10.818 -0.977 1.00 16.56 C ATOM 818 CG GLU A 51 1.557 11.753 0.165 1.00 26.06 C ATOM 819 CD GLU A 51 0.099 12.176 0.293 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.490 12.561 -0.766 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.491 12.155 1.432 1.00 33.44 O ATOM 0 H GLU A 51 2.659 8.793 0.445 1.00 9.43 H new ATOM 0 HA GLU A 51 0.088 9.524 -0.728 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.854 10.706 -1.122 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.383 11.283 -1.880 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.876 11.274 1.091 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.179 12.638 0.033 1.00 26.06 H new ATOM 828 N ASP A 52 0.568 8.660 -3.015 1.00 12.71 N ATOM 829 CA ASP A 52 0.422 7.836 -4.184 1.00 16.56 C ATOM 830 C ASP A 52 1.535 7.930 -5.195 1.00 15.83 C ATOM 831 O ASP A 52 1.999 6.860 -5.593 1.00 17.21 O ATOM 832 CB ASP A 52 -0.942 8.235 -4.827 1.00 21.05 C ATOM 833 CG ASP A 52 -2.041 8.170 -3.809 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.261 9.243 -3.192 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.760 7.164 -3.721 1.00 25.82 O ATOM 0 H ASP A 52 -0.210 9.313 -2.924 1.00 12.71 H new ATOM 0 HA ASP A 52 0.462 6.794 -3.868 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.877 9.243 -5.237 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.168 7.567 -5.658 1.00 21.05 H new ATOM 840 N GLY A 53 1.934 9.128 -5.613 1.00 15.00 N ATOM 841 CA GLY A 53 3.038 9.326 -6.583 1.00 11.77 C ATOM 842 C GLY A 53 4.550 9.022 -6.149 1.00 11.10 C ATOM 843 O GLY A 53 5.461 9.224 -6.917 1.00 11.25 O ATOM 0 H GLY A 53 1.508 9.999 -5.295 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.820 8.707 -7.453 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.998 10.364 -6.912 1.00 11.77 H new ATOM 847 N ARG A 54 4.741 8.720 -4.866 1.00 8.53 N ATOM 848 CA ARG A 54 6.019 8.519 -4.271 1.00 9.05 C ATOM 849 C ARG A 54 6.595 7.088 -4.410 1.00 8.96 C ATOM 850 O ARG A 54 5.895 6.053 -4.275 1.00 11.60 O ATOM 851 CB ARG A 54 6.019 8.812 -2.694 1.00 7.97 C ATOM 852 CG ARG A 54 5.432 10.134 -2.295 1.00 9.62 C ATOM 853 CD ARG A 54 6.369 11.357 -2.508 1.00 12.20 C ATOM 854 NE ARG A 54 5.738 12.470 -1.695 1.00 18.23 N ATOM 855 CZ ARG A 54 5.972 12.783 -0.367 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.799 12.140 0.380 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.400 13.921 0.064 1.00 23.38 N ATOM 0 H ARG A 54 3.970 8.609 -4.207 1.00 8.53 H new ATOM 0 HA ARG A 54 6.636 9.223 -4.829 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.465 8.019 -2.192 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.045 8.763 -2.330 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.515 10.294 -2.862 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.152 10.088 -1.243 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.382 11.144 -2.168 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.436 11.626 -3.562 1.00 12.20 H new ATOM 0 HE ARG A 54 5.062 13.057 -2.184 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.324 11.353 -0.001 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.929 12.418 1.353 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.840 14.485 -0.576 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.526 14.221 1.031 1.00 23.38 H new ATOM 871 N THR A 55 7.888 6.985 -4.537 1.00 9.05 N ATOM 872 CA THR A 55 8.585 5.717 -4.847 1.00 9.03 C ATOM 873 C THR A 55 8.844 4.962 -3.505 1.00 8.15 C ATOM 874 O THR A 55 8.985 5.593 -2.452 1.00 5.91 O ATOM 875 CB THR A 55 9.954 5.707 -5.526 1.00 11.15 C ATOM 876 OG1 THR A 55 10.937 6.499 -4.913 1.00 11.95 O ATOM 877 CG2 THR A 55 9.729 6.205 -7.010 1.00 11.71 C ATOM 0 H THR A 55 8.519 7.779 -4.431 1.00 9.05 H new ATOM 0 HA THR A 55 7.896 5.289 -5.575 1.00 9.03 H new ATOM 0 HB THR A 55 10.342 4.690 -5.460 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.775 6.427 -5.416 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.682 6.215 -7.539 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.039 5.532 -7.519 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.310 7.211 -6.997 1.00 11.71 H new ATOM 885 N LEU A 56 8.903 3.644 -3.539 1.00 6.91 N ATOM 886 CA LEU A 56 9.192 2.790 -2.366 1.00 8.29 C ATOM 887 C LEU A 56 10.522 3.141 -1.682 1.00 8.05 C ATOM 888 O LEU A 56 10.683 3.250 -0.457 1.00 10.17 O ATOM 889 CB LEU A 56 9.126 1.242 -2.647 1.00 6.60 C ATOM 890 CG LEU A 56 7.803 0.742 -3.176 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.643 -0.738 -3.386 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.614 1.266 -2.364 1.00 8.64 C ATOM 0 H LEU A 56 8.750 3.110 -4.395 1.00 6.91 H new ATOM 0 HA LEU A 56 8.375 3.020 -1.682 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.906 0.985 -3.363 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.354 0.711 -1.723 1.00 6.60 H new ATOM 0 HG LEU A 56 7.812 1.164 -4.181 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.643 -0.945 -3.768 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.385 -1.086 -4.104 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.784 -1.257 -2.438 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.687 0.878 -2.785 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.708 0.938 -1.329 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.601 2.355 -2.400 1.00 8.64 H new ATOM 904 N SER A 57 11.485 3.511 -2.530 1.00 8.92 N ATOM 905 CA SER A 57 12.790 4.058 -2.193 1.00 9.00 C ATOM 906 C SER A 57 12.750 5.314 -1.429 1.00 9.44 C ATOM 907 O SER A 57 13.433 5.455 -0.424 1.00 10.91 O ATOM 908 CB SER A 57 13.691 4.276 -3.368 1.00 10.32 C ATOM 909 OG SER A 57 15.076 4.372 -2.968 1.00 13.59 O ATOM 0 H SER A 57 11.359 3.428 -3.539 1.00 8.92 H new ATOM 0 HA SER A 57 13.198 3.268 -1.563 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.572 3.455 -4.075 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.398 5.189 -3.887 1.00 10.32 H new ATOM 0 HG SER A 57 15.636 4.513 -3.760 1.00 13.59 H new ATOM 915 N ASP A 58 11.872 6.220 -1.796 1.00 9.11 N ATOM 916 CA ASP A 58 11.754 7.511 -1.150 1.00 7.91 C ATOM 917 C ASP A 58 11.341 7.403 0.324 1.00 9.12 C ATOM 918 O ASP A 58 11.855 8.160 1.135 1.00 8.61 O ATOM 919 CB ASP A 58 10.725 8.280 -1.963 1.00 8.41 C ATOM 920 CG ASP A 58 10.953 9.765 -1.925 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.094 10.167 -1.497 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.042 10.554 -2.199 1.00 11.70 O ATOM 0 H ASP A 58 11.211 6.081 -2.560 1.00 9.11 H new ATOM 0 HA ASP A 58 12.718 8.019 -1.127 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.755 7.938 -2.997 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.728 8.059 -1.583 1.00 8.41 H new ATOM 927 N TYR A 59 10.528 6.409 0.653 1.00 7.97 N ATOM 928 CA TYR A 59 9.865 6.208 1.975 1.00 8.45 C ATOM 929 C TYR A 59 10.572 5.217 2.810 1.00 10.98 C ATOM 930 O TYR A 59 10.188 4.899 3.940 1.00 12.95 O ATOM 931 CB TYR A 59 8.435 5.690 1.798 1.00 7.94 C ATOM 932 CG TYR A 59 7.403 6.817 1.608 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.167 7.625 2.744 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.555 6.919 0.514 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.093 8.594 2.728 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.539 7.845 0.535 1.00 6.52 C ATOM 937 CZ TYR A 59 5.254 8.645 1.603 1.00 6.76 C ATOM 938 OH TYR A 59 4.228 9.582 1.690 1.00 7.63 O ATOM 0 H TYR A 59 10.288 5.674 -0.013 1.00 7.97 H new ATOM 0 HA TYR A 59 9.877 7.184 2.461 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.400 5.025 0.935 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.160 5.096 2.670 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.787 7.519 3.622 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.692 6.278 -0.344 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.940 9.263 3.562 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.928 7.946 -0.350 1.00 6.52 H new ATOM 0 HH TYR A 59 4.218 10.133 0.879 1.00 7.63 H new ATOM 948 N ASN A 60 11.737 4.685 2.337 1.00 12.38 N ATOM 949 CA ASN A 60 12.503 3.610 2.951 1.00 13.94 C ATOM 950 C ASN A 60 11.775 2.324 3.239 1.00 14.16 C ATOM 951 O ASN A 60 11.905 1.595 4.218 1.00 14.26 O ATOM 952 CB ASN A 60 13.210 4.125 4.241 1.00 19.23 C ATOM 953 CG ASN A 60 14.307 5.126 3.918 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.295 6.230 3.395 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.505 4.673 4.378 1.00 24.09 N ATOM 0 H ASN A 60 12.169 5.024 1.477 1.00 12.38 H new ATOM 0 HA ASN A 60 13.221 3.333 2.180 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.475 4.590 4.898 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.635 3.281 4.785 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.341 5.249 4.278 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.567 3.757 4.823 1.00 24.09 H new ATOM 962 N ILE A 61 10.867 1.973 2.226 1.00 11.08 N ATOM 963 CA ILE A 61 10.252 0.701 2.264 1.00 11.78 C ATOM 964 C ILE A 61 11.119 -0.338 1.655 1.00 13.74 C ATOM 965 O ILE A 61 11.736 -0.083 0.634 1.00 14.60 O ATOM 966 CB ILE A 61 8.864 0.896 1.617 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.985 2.016 2.283 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.213 -0.483 1.515 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.948 2.558 1.289 1.00 11.42 C ATOM 0 H ILE A 61 10.601 2.568 1.441 1.00 11.08 H new ATOM 0 HA ILE A 61 10.110 0.316 3.274 1.00 11.78 H new ATOM 0 HB ILE A 61 8.975 1.305 0.613 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.479 1.614 3.160 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.624 2.829 2.628 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.227 -0.387 1.061 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.834 -1.134 0.899 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.113 -0.913 2.512 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.351 3.332 1.772 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.459 2.981 0.424 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.296 1.747 0.965 1.00 11.42 H new ATOM 981 N GLN A 62 11.154 -1.526 2.249 1.00 13.97 N ATOM 982 CA GLN A 62 12.141 -2.565 1.972 1.00 15.52 C ATOM 983 C GLN A 62 11.583 -4.037 1.766 1.00 13.94 C ATOM 984 O GLN A 62 10.374 -4.238 1.838 1.00 12.15 O ATOM 985 CB GLN A 62 13.203 -2.562 3.070 1.00 19.53 C ATOM 986 CG GLN A 62 13.888 -1.189 3.320 1.00 26.38 C ATOM 987 CD GLN A 62 15.117 -1.348 4.201 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.239 -1.194 3.672 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.873 -1.633 5.490 1.00 32.71 N ATOM 0 H GLN A 62 10.475 -1.802 2.959 1.00 13.97 H new ATOM 0 HA GLN A 62 12.556 -2.299 1.000 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.743 -2.896 4.000 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.971 -3.292 2.814 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.174 -0.742 2.368 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.182 -0.507 3.794 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.912 -1.738 5.816 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.648 -1.745 6.143 1.00 32.71 H new ATOM 998 N LYS A 63 12.417 -5.010 1.533 1.00 11.73 N ATOM 999 CA LYS A 63 12.179 -6.480 1.793 1.00 11.97 C ATOM 1000 C LYS A 63 11.364 -6.752 3.073 1.00 10.41 C ATOM 1001 O LYS A 63 11.765 -6.399 4.169 1.00 9.59 O ATOM 1002 CB LYS A 63 13.612 -7.121 1.867 1.00 13.73 C ATOM 1003 CG LYS A 63 13.694 -8.508 2.483 1.00 16.98 C ATOM 1004 CD LYS A 63 15.057 -9.138 2.279 1.00 20.19 C ATOM 1005 CE LYS A 63 16.143 -8.184 2.833 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.469 -8.877 2.950 1.00 25.97 N ATOM 0 H LYS A 63 13.340 -4.835 1.136 1.00 11.73 H new ATOM 0 HA LYS A 63 11.571 -6.916 1.000 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.018 -7.170 0.857 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.257 -6.453 2.438 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.480 -8.445 3.550 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.929 -9.147 2.042 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.107 -10.100 2.788 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.229 -9.329 1.220 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.239 -7.319 2.177 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.838 -7.811 3.811 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.176 -8.212 3.324 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.381 -9.688 3.595 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.770 -9.211 2.012 1.00 25.97 H new ATOM 1020 N GLU A 64 10.221 -7.387 3.019 1.00 10.04 N ATOM 1021 CA GLU A 64 9.402 -7.945 4.083 1.00 10.94 C ATOM 1022 C GLU A 64 8.855 -6.844 4.960 1.00 9.74 C ATOM 1023 O GLU A 64 8.676 -7.005 6.132 1.00 9.42 O ATOM 1024 CB GLU A 64 10.081 -9.041 4.920 1.00 18.31 C ATOM 1025 CG GLU A 64 10.560 -10.230 4.144 1.00 24.16 C ATOM 1026 CD GLU A 64 11.456 -11.192 4.879 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.736 -10.959 6.090 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.036 -12.077 4.164 1.00 31.72 O ATOM 0 H GLU A 64 9.781 -7.549 2.113 1.00 10.04 H new ATOM 0 HA GLU A 64 8.581 -8.456 3.580 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.930 -8.602 5.444 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.379 -9.382 5.681 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.689 -10.779 3.787 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.093 -9.871 3.263 1.00 24.16 H new ATOM 1035 N SER A 65 8.563 -5.658 4.363 1.00 6.85 N ATOM 1036 CA SER A 65 7.840 -4.594 4.980 1.00 6.90 C ATOM 1037 C SER A 65 6.447 -4.984 5.252 1.00 4.72 C ATOM 1038 O SER A 65 5.818 -5.738 4.562 1.00 3.91 O ATOM 1039 CB SER A 65 7.899 -3.232 4.241 1.00 7.28 C ATOM 1040 OG SER A 65 9.197 -2.880 3.858 1.00 10.56 O ATOM 0 H SER A 65 8.849 -5.443 3.408 1.00 6.85 H new ATOM 0 HA SER A 65 8.362 -4.422 5.921 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.263 -3.276 3.357 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.492 -2.455 4.888 1.00 7.28 H new ATOM 0 HG SER A 65 9.482 -3.446 3.111 1.00 10.56 H new ATOM 1046 N THR A 66 5.889 -4.485 6.394 1.00 4.48 N ATOM 1047 CA THR A 66 4.498 -4.655 6.786 1.00 3.80 C ATOM 1048 C THR A 66 3.862 -3.308 6.578 1.00 4.60 C ATOM 1049 O THR A 66 4.229 -2.352 7.231 1.00 5.33 O ATOM 1050 CB THR A 66 4.325 -5.131 8.206 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.945 -6.416 8.414 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.794 -5.263 8.552 1.00 3.40 C ATOM 0 H THR A 66 6.427 -3.943 7.070 1.00 4.48 H new ATOM 0 HA THR A 66 4.029 -5.436 6.187 1.00 3.80 H new ATOM 0 HB THR A 66 4.802 -4.394 8.852 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.816 -6.695 9.345 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.682 -5.607 9.580 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.311 -4.293 8.440 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.329 -5.980 7.876 1.00 3.40 H new ATOM 1060 N LEU A 67 2.903 -3.265 5.626 1.00 4.17 N ATOM 1061 CA LEU A 67 2.177 -2.084 5.154 1.00 3.85 C ATOM 1062 C LEU A 67 0.745 -2.440 5.599 1.00 3.80 C ATOM 1063 O LEU A 67 0.232 -3.523 5.387 1.00 5.54 O ATOM 1064 CB LEU A 67 2.149 -1.742 3.659 1.00 7.18 C ATOM 1065 CG LEU A 67 3.398 -0.989 3.135 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.717 -1.810 3.114 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.144 -0.302 1.754 1.00 11.66 C ATOM 0 H LEU A 67 2.603 -4.111 5.142 1.00 4.17 H new ATOM 0 HA LEU A 67 2.669 -1.196 5.550 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.037 -2.666 3.092 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.266 -1.135 3.457 1.00 7.18 H new ATOM 0 HG LEU A 67 3.559 -0.216 3.886 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.526 -1.189 2.730 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.958 -2.137 4.125 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.593 -2.682 2.471 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.050 0.212 1.431 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.873 -1.057 1.016 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.332 0.419 1.850 1.00 11.66 H new ATOM 1079 N HIS A 68 0.025 -1.503 6.234 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.231 -1.730 6.842 1.00 4.17 C ATOM 1081 C HIS A 68 -2.187 -1.028 5.962 1.00 5.32 C ATOM 1082 O HIS A 68 -1.987 0.127 5.679 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.425 -1.125 8.332 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.267 -1.568 9.216 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.974 -1.096 9.200 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.336 -2.357 10.352 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.624 -1.499 10.287 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.869 -2.321 11.022 1.00 16.30 N ATOM 0 H HIS A 68 0.342 -0.538 6.324 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.360 -2.806 6.955 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.469 -0.037 8.291 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.370 -1.467 8.754 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.204 -2.917 10.666 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.630 -1.201 10.543 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.125 -2.809 11.880 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.275 -1.704 5.504 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.162 -1.262 4.461 1.00 3.97 C ATOM 1098 C LEU A 69 -5.534 -0.918 4.995 1.00 5.07 C ATOM 1099 O LEU A 69 -6.301 -1.829 5.301 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.350 -2.260 3.250 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.394 -1.874 2.163 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.976 -0.547 1.513 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.585 -3.010 1.151 1.00 9.96 C ATOM 0 H LEU A 69 -3.546 -2.610 5.887 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.653 -0.379 4.074 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.384 -2.383 2.761 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.628 -3.233 3.655 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.371 -1.725 2.622 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.704 -0.271 0.750 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.933 0.233 2.273 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.994 -0.660 1.054 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.320 -2.712 0.404 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.635 -3.224 0.661 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.936 -3.903 1.668 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.867 0.341 5.078 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.188 0.827 5.509 1.00 6.26 C ATOM 1117 C VAL A 70 -7.932 1.354 4.268 1.00 9.22 C ATOM 1118 O VAL A 70 -7.241 1.663 3.283 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.150 1.798 6.713 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.534 2.269 7.142 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.406 1.177 7.864 1.00 8.54 C ATOM 0 H VAL A 70 -5.221 1.095 4.845 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.758 -0.004 5.925 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.615 2.690 6.386 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.441 2.947 7.990 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.015 2.789 6.313 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.138 1.409 7.430 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.388 1.872 8.703 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.906 0.257 8.166 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.385 0.952 7.558 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.260 1.345 4.227 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.049 1.712 3.083 1.00 16.06 C ATOM 1133 C LEU A 71 -10.923 2.932 3.237 1.00 18.09 C ATOM 1134 O LEU A 71 -11.487 3.130 4.279 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.737 0.495 2.463 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.821 -0.718 2.161 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.616 -1.837 1.479 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.650 -0.418 1.165 1.00 19.57 C ATOM 0 H LEU A 71 -9.828 1.069 5.028 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.331 2.074 2.347 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.530 0.168 3.135 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.214 0.806 1.534 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.421 -0.987 3.139 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.956 -2.680 1.275 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.425 -2.160 2.134 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.033 -1.468 0.542 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.061 -1.323 1.012 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.060 -0.086 0.211 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.013 0.364 1.578 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.925 3.772 2.194 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.649 4.990 2.115 1.00 25.83 C ATOM 1152 C ARG A 72 -13.110 4.889 1.582 1.00 27.74 C ATOM 1153 O ARG A 72 -13.367 4.289 0.492 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.898 6.111 1.243 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.462 7.462 1.523 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.610 8.637 1.093 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.225 9.872 1.753 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.820 11.130 1.550 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.925 11.443 0.637 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.436 12.090 2.295 1.00 35.02 N ATOM 0 H ARG A 72 -10.383 3.585 1.350 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.700 5.276 3.166 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.832 6.102 1.471 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.999 5.882 0.182 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.430 7.540 1.028 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.644 7.543 2.595 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.575 8.503 1.406 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.604 8.737 0.008 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.003 9.725 2.396 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.515 10.714 0.054 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.642 12.415 0.512 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.162 11.830 2.962 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.171 13.069 2.186 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.041 5.579 2.216 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.437 5.536 1.859 1.00 30.76 C ATOM 1176 C LEU A 73 -15.934 6.873 1.327 1.00 32.18 C ATOM 1177 O LEU A 73 -15.331 7.932 1.493 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.322 4.984 3.004 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.972 3.627 3.624 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.874 3.530 4.888 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.071 2.440 2.725 1.00 29.11 C ATOM 0 H LEU A 73 -13.839 6.193 3.005 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.528 4.825 1.038 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.321 5.722 3.806 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.344 4.921 2.629 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.909 3.593 3.861 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.688 2.584 5.396 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.645 4.355 5.562 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.922 3.583 4.592 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.799 1.541 3.278 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.093 2.345 2.359 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.393 2.565 1.881 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.085 6.902 0.656 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.785 8.077 0.196 1.00 35.33 C ATOM 1195 C ARG A 74 -18.233 8.944 1.348 1.00 36.22 C ATOM 1196 O ARG A 74 -18.283 10.179 1.315 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.044 7.661 -0.517 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.872 6.882 -1.816 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.134 7.628 -2.938 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.243 6.795 -4.125 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.763 7.142 -5.373 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.164 8.310 -5.639 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.852 6.287 -6.325 1.00 41.93 N ATOM 0 H ARG A 74 -17.576 6.043 0.409 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.098 8.625 -0.449 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.637 7.054 0.167 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.625 8.558 -0.733 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.332 5.961 -1.599 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.858 6.595 -2.181 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.578 8.609 -3.110 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.089 7.793 -2.673 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.706 5.891 -4.029 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.042 9.001 -4.898 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.830 8.509 -6.582 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.271 5.373 -6.152 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.504 6.521 -7.255 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.478 8.335 2.509 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.731 9.053 3.728 1.00 36.07 C ATOM 1219 C GLY A 75 -17.537 9.632 4.408 1.00 36.16 C ATOM 1220 O GLY A 75 -17.657 10.157 5.535 1.00 36.26 O ATOM 0 H GLY A 75 -18.503 7.321 2.615 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.428 9.862 3.511 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.230 8.380 4.425 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.347 9.521 3.858 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.144 9.931 4.558 1.00 36.19 C ATOM 1226 C GLY A 76 -13.911 10.271 3.759 1.00 36.20 C ATOM 1227 O GLY A 76 -12.835 9.657 3.996 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.917 11.308 3.016 1.00 0.00 O ATOM 0 H GLY A 76 -16.184 9.148 2.923 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.396 10.803 5.161 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.878 9.132 5.249 1.00 36.19 H new TER 1232 GLY A 76