USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 -88:sc= 0.354 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.37 K(o=0.72,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.678 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00584 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 174:sc= 0.658 (180deg=-0.292) USER MOD Set 3.2: A 12 THR OG1 : rot 122:sc= 0.752 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.07 (180deg=0.892) USER MOD Single : A 2 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.17) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.732) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 2.52 (180deg=2.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.854 K(o=-0.85,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.923 K(o=0.92,f=-3.9!) 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=-0.27) USER MOD Single : A 55 THR OG1 : rot -35:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.828 USER MOD Single : A 60 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.19) 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 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.02 K(o=1,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.897 -6.824 -4.609 1.00 9.67 N ATOM 2 CA MET A 1 11.842 -7.306 -3.201 1.00 10.38 C ATOM 3 C MET A 1 10.383 -7.689 -2.836 1.00 9.62 C ATOM 4 O MET A 1 9.434 -7.348 -3.597 1.00 9.62 O ATOM 5 CB MET A 1 12.356 -6.253 -2.172 1.00 13.77 C ATOM 6 CG MET A 1 11.579 -4.949 -2.221 1.00 16.29 C ATOM 7 SD MET A 1 12.130 -3.716 -0.970 1.00 17.17 S ATOM 8 CE MET A 1 10.645 -2.768 -0.753 1.00 16.11 C ATOM 0 H1 MET A 1 12.786 -6.307 -4.764 1.00 9.67 H new ATOM 0 H2 MET A 1 11.852 -7.637 -5.256 1.00 9.67 H new ATOM 0 H3 MET A 1 11.092 -6.191 -4.791 1.00 9.67 H new ATOM 0 HA MET A 1 12.502 -8.172 -3.143 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.290 -6.672 -1.168 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.410 -6.050 -2.364 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.678 -4.514 -3.216 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.521 -5.160 -2.069 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.821 -1.979 -0.022 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.355 -2.323 -1.705 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.846 -3.419 -0.399 1.00 16.11 H new ATOM 20 N GLN A 2 10.175 -8.468 -1.694 1.00 9.27 N ATOM 21 CA GLN A 2 8.844 -8.930 -1.328 1.00 9.07 C ATOM 22 C GLN A 2 8.481 -8.092 -0.032 1.00 8.72 C ATOM 23 O GLN A 2 9.340 -7.726 0.784 1.00 8.22 O ATOM 24 CB GLN A 2 8.832 -10.446 -1.031 1.00 14.46 C ATOM 25 CG GLN A 2 7.438 -10.995 -0.742 1.00 17.01 C ATOM 26 CD GLN A 2 7.591 -12.465 -0.443 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.218 -12.970 0.634 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.957 -13.286 -1.474 1.00 19.49 N ATOM 0 H GLN A 2 10.916 -8.759 -1.056 1.00 9.27 H new ATOM 0 HA GLN A 2 8.124 -8.786 -2.134 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.255 -10.979 -1.882 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.478 -10.647 -0.176 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.987 -10.475 0.104 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.780 -10.843 -1.597 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.264 -12.886 -2.360 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.923 -14.299 -1.356 1.00 19.49 H new ATOM 37 N ILE A 3 7.162 -7.827 0.138 1.00 5.87 N ATOM 38 CA ILE A 3 6.583 -7.105 1.202 1.00 5.07 C ATOM 39 C ILE A 3 5.268 -7.833 1.533 1.00 4.01 C ATOM 40 O ILE A 3 4.682 -8.664 0.806 1.00 4.61 O ATOM 41 CB ILE A 3 6.256 -5.662 0.842 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.145 -5.611 -0.297 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.545 -4.835 0.578 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.589 -4.195 -0.477 1.00 10.83 C ATOM 0 H ILE A 3 6.463 -8.151 -0.531 1.00 5.87 H new ATOM 0 HA ILE A 3 7.288 -7.065 2.032 1.00 5.07 H new ATOM 0 HB ILE A 3 5.801 -5.158 1.695 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.571 -5.958 -1.238 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.333 -6.293 -0.045 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.274 -3.810 0.324 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.167 -4.835 1.473 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.099 -5.279 -0.249 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.833 -4.198 -1.262 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.140 -3.859 0.458 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.398 -3.519 -0.754 1.00 10.83 H new ATOM 56 N PHE A 4 4.701 -7.415 2.666 1.00 4.55 N ATOM 57 CA PHE A 4 3.463 -7.992 3.166 1.00 4.68 C ATOM 58 C PHE A 4 2.526 -6.806 3.350 1.00 5.30 C ATOM 59 O PHE A 4 2.853 -5.753 3.960 1.00 5.58 O ATOM 60 CB PHE A 4 3.700 -8.646 4.551 1.00 4.83 C ATOM 61 CG PHE A 4 4.776 -9.704 4.463 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.745 -10.766 3.512 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.963 -9.607 5.318 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.805 -11.788 3.473 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.949 -10.575 5.209 1.00 10.61 C ATOM 66 CZ PHE A 4 6.837 -11.716 4.401 1.00 8.90 C ATOM 0 H PHE A 4 5.086 -6.675 3.253 1.00 4.55 H new ATOM 0 HA PHE A 4 3.071 -8.752 2.490 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.990 -7.884 5.274 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.773 -9.092 4.912 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.929 -10.822 2.807 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.067 -8.794 6.022 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.781 -12.578 2.737 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.856 -10.443 5.780 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.543 -12.527 4.499 1.00 8.90 H new ATOM 76 N VAL A 5 1.249 -6.985 2.909 1.00 4.44 N ATOM 77 CA VAL A 5 0.196 -5.982 2.970 1.00 3.87 C ATOM 78 C VAL A 5 -0.872 -6.579 3.894 1.00 4.93 C ATOM 79 O VAL A 5 -1.319 -7.689 3.629 1.00 6.84 O ATOM 80 CB VAL A 5 -0.339 -5.734 1.517 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.547 -4.756 1.469 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.731 -4.901 0.708 1.00 9.13 C ATOM 0 H VAL A 5 0.936 -7.862 2.493 1.00 4.44 H new ATOM 0 HA VAL A 5 0.526 -5.017 3.354 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.580 -6.726 1.136 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.870 -4.627 0.436 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.369 -5.164 2.057 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.250 -3.791 1.880 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.366 -4.725 -0.304 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.900 -3.945 1.205 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.667 -5.457 0.664 1.00 9.13 H new ATOM 92 N LYS A 6 -1.302 -5.804 4.926 1.00 6.04 N ATOM 93 CA LYS A 6 -2.097 -6.366 6.002 1.00 6.12 C ATOM 94 C LYS A 6 -3.248 -5.457 6.452 1.00 6.57 C ATOM 95 O LYS A 6 -3.199 -4.252 6.332 1.00 5.76 O ATOM 96 CB LYS A 6 -1.197 -6.622 7.182 1.00 7.45 C ATOM 97 CG LYS A 6 -1.658 -7.387 8.470 1.00 11.12 C ATOM 98 CD LYS A 6 -0.575 -7.326 9.552 1.00 14.54 C ATOM 99 CE LYS A 6 -0.483 -8.618 10.389 1.00 18.84 C ATOM 100 NZ LYS A 6 0.076 -9.659 9.532 1.00 20.55 N ATOM 0 H LYS A 6 -1.105 -4.807 5.017 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.545 -7.284 5.622 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.332 -7.162 6.797 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.842 -5.647 7.515 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.582 -6.949 8.848 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.875 -8.426 8.224 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.390 -7.135 9.082 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.779 -6.485 10.214 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.147 -8.463 11.265 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.468 -8.910 10.753 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.246 -10.517 10.094 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.593 -9.874 8.766 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.974 -9.328 9.125 1.00 20.55 H new ATOM 114 N THR A 7 -4.341 -6.079 6.973 1.00 7.41 N ATOM 115 CA THR A 7 -5.586 -5.500 7.455 1.00 7.48 C ATOM 116 C THR A 7 -5.663 -5.487 8.928 1.00 8.75 C ATOM 117 O THR A 7 -4.856 -6.151 9.592 1.00 8.58 O ATOM 118 CB THR A 7 -6.797 -6.227 6.890 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.945 -7.560 7.358 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.569 -6.301 5.361 1.00 9.17 C ATOM 0 H THR A 7 -4.354 -7.095 7.066 1.00 7.41 H new ATOM 0 HA THR A 7 -5.595 -4.468 7.103 1.00 7.48 H new ATOM 0 HB THR A 7 -7.692 -5.685 7.196 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.743 -7.962 6.955 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.408 -6.815 4.892 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.489 -5.292 4.956 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.649 -6.848 5.156 1.00 9.17 H new ATOM 128 N LEU A 8 -6.626 -4.786 9.474 1.00 9.84 N ATOM 129 CA LEU A 8 -6.903 -4.789 10.936 1.00 14.15 C ATOM 130 C LEU A 8 -7.688 -5.957 11.462 1.00 17.37 C ATOM 131 O LEU A 8 -7.798 -6.236 12.669 1.00 17.01 O ATOM 132 CB LEU A 8 -7.768 -3.646 11.331 1.00 16.63 C ATOM 133 CG LEU A 8 -7.076 -2.232 11.176 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.008 -1.080 11.350 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.929 -2.068 12.196 1.00 18.59 C ATOM 0 H LEU A 8 -7.255 -4.188 8.938 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.891 -4.782 11.340 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.675 -3.664 10.726 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.075 -3.777 12.369 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.703 -2.214 10.152 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.459 -0.146 11.229 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.799 -1.135 10.602 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.448 -1.116 12.346 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.468 -1.088 12.071 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.326 -2.155 13.207 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.182 -2.844 12.031 1.00 18.59 H new ATOM 147 N THR A 9 -8.407 -6.623 10.473 1.00 18.33 N ATOM 148 CA THR A 9 -9.360 -7.695 10.627 1.00 19.24 C ATOM 149 C THR A 9 -8.647 -9.036 10.330 1.00 19.48 C ATOM 150 O THR A 9 -9.332 -10.072 10.319 1.00 23.14 O ATOM 151 CB THR A 9 -10.613 -7.488 9.746 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.196 -7.227 8.399 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.366 -6.287 10.329 1.00 19.70 C ATOM 0 H THR A 9 -8.293 -6.370 9.492 1.00 18.33 H new ATOM 0 HA THR A 9 -9.727 -7.707 11.653 1.00 19.24 H new ATOM 0 HB THR A 9 -11.258 -8.367 9.734 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.985 -7.096 7.832 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.263 -6.099 9.739 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.648 -6.500 11.360 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.723 -5.407 10.303 1.00 19.70 H new ATOM 161 N GLY A 10 -7.308 -9.017 10.167 1.00 19.43 N ATOM 162 CA GLY A 10 -6.524 -10.275 10.192 1.00 18.74 C ATOM 163 C GLY A 10 -6.068 -11.024 8.961 1.00 17.62 C ATOM 164 O GLY A 10 -5.769 -12.184 9.004 1.00 19.74 O ATOM 0 H GLY A 10 -6.757 -8.171 10.020 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.622 -10.057 10.764 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.110 -10.984 10.777 1.00 18.74 H new ATOM 168 N LYS A 11 -6.147 -10.332 7.795 1.00 13.56 N ATOM 169 CA LYS A 11 -5.695 -10.791 6.546 1.00 11.91 C ATOM 170 C LYS A 11 -4.338 -10.249 6.229 1.00 10.18 C ATOM 171 O LYS A 11 -4.023 -9.125 6.633 1.00 9.10 O ATOM 172 CB LYS A 11 -6.647 -10.400 5.453 1.00 13.43 C ATOM 173 CG LYS A 11 -6.442 -11.001 4.073 1.00 16.69 C ATOM 174 CD LYS A 11 -7.638 -10.631 3.151 1.00 17.92 C ATOM 175 CE LYS A 11 -7.852 -9.129 2.770 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.886 -9.018 1.810 1.00 21.93 N ATOM 0 H LYS A 11 -6.555 -9.398 7.746 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.640 -11.878 6.605 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.654 -10.656 5.781 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.611 -9.315 5.352 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.511 -10.633 3.641 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.352 -12.085 4.149 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.529 -11.195 2.225 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.550 -10.983 3.634 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.106 -8.552 3.659 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.928 -8.711 2.372 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.301 -8.066 1.855 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.496 -9.181 0.860 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.622 -9.726 2.009 1.00 21.93 H new ATOM 190 N THR A 12 -3.500 -11.057 5.499 1.00 9.63 N ATOM 191 CA THR A 12 -2.211 -10.673 4.992 1.00 9.85 C ATOM 192 C THR A 12 -2.115 -11.248 3.628 1.00 11.66 C ATOM 193 O THR A 12 -2.557 -12.336 3.323 1.00 12.33 O ATOM 194 CB THR A 12 -0.986 -11.069 5.811 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.178 -10.633 7.142 1.00 10.91 O ATOM 196 CG2 THR A 12 0.257 -10.378 5.403 1.00 9.63 C ATOM 0 H THR A 12 -3.746 -12.018 5.260 1.00 9.63 H new ATOM 0 HA THR A 12 -2.176 -9.584 5.028 1.00 9.85 H new ATOM 0 HB THR A 12 -0.884 -12.146 5.677 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.126 -11.401 7.749 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.082 -10.712 6.032 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.477 -10.610 4.361 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.129 -9.301 5.515 1.00 9.63 H new ATOM 204 N ILE A 13 -1.712 -10.436 2.680 1.00 10.42 N ATOM 205 CA ILE A 13 -1.389 -10.828 1.314 1.00 11.84 C ATOM 206 C ILE A 13 0.069 -10.460 1.104 1.00 10.55 C ATOM 207 O ILE A 13 0.565 -9.397 1.466 1.00 11.92 O ATOM 208 CB ILE A 13 -2.312 -10.125 0.333 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.205 -8.605 0.209 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.772 -10.506 0.767 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.283 -7.903 -0.671 1.00 16.46 C ATOM 0 H ILE A 13 -1.592 -9.436 2.840 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.533 -11.895 1.146 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.014 -10.466 -0.659 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.250 -8.177 1.210 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.223 -8.364 -0.197 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.487 -10.029 0.097 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.895 -11.588 0.719 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.949 -10.166 1.787 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.101 -6.828 -0.681 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.230 -8.290 -1.689 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.273 -8.099 -0.259 1.00 16.46 H new ATOM 223 N THR A 14 0.764 -11.372 0.499 1.00 9.39 N ATOM 224 CA THR A 14 2.123 -11.240 0.066 1.00 9.63 C ATOM 225 C THR A 14 2.093 -10.401 -1.202 1.00 11.20 C ATOM 226 O THR A 14 1.130 -10.444 -1.977 1.00 11.63 O ATOM 227 CB THR A 14 2.885 -12.551 -0.242 1.00 10.38 C ATOM 228 OG1 THR A 14 2.878 -13.270 0.974 1.00 16.30 O ATOM 229 CG2 THR A 14 4.350 -12.313 -0.649 1.00 11.66 C ATOM 0 H THR A 14 0.373 -12.288 0.280 1.00 9.39 H new ATOM 0 HA THR A 14 2.667 -10.797 0.900 1.00 9.63 H new ATOM 0 HB THR A 14 2.409 -13.068 -1.075 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.347 -14.122 0.853 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.831 -13.270 -0.852 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.383 -11.693 -1.545 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.875 -11.808 0.161 1.00 11.66 H new ATOM 237 N LEU A 15 3.139 -9.580 -1.437 1.00 8.29 N ATOM 238 CA LEU A 15 3.195 -8.742 -2.606 1.00 9.03 C ATOM 239 C LEU A 15 4.613 -8.467 -3.026 1.00 8.59 C ATOM 240 O LEU A 15 5.472 -8.320 -2.169 1.00 7.79 O ATOM 241 CB LEU A 15 2.439 -7.394 -2.337 1.00 11.08 C ATOM 242 CG LEU A 15 1.983 -6.633 -3.599 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.867 -7.466 -4.247 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.412 -5.263 -3.302 1.00 15.27 C ATOM 0 H LEU A 15 3.946 -9.495 -0.819 1.00 8.29 H new ATOM 0 HA LEU A 15 2.706 -9.275 -3.422 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.563 -7.603 -1.722 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.089 -6.742 -1.754 1.00 11.08 H new ATOM 0 HG LEU A 15 2.855 -6.492 -4.238 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.513 -6.963 -5.147 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.254 -8.451 -4.510 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.041 -7.576 -3.545 1.00 15.88 H new ATOM 0 HD21 LEU A 15 1.112 -4.784 -4.234 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.544 -5.364 -2.650 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.168 -4.653 -2.808 1.00 15.27 H new ATOM 256 N GLU A 16 4.877 -8.366 -4.343 1.00 11.04 N ATOM 257 CA GLU A 16 6.275 -8.102 -4.830 1.00 11.50 C ATOM 258 C GLU A 16 6.369 -6.758 -5.507 1.00 10.13 C ATOM 259 O GLU A 16 5.664 -6.429 -6.412 1.00 9.83 O ATOM 260 CB GLU A 16 6.830 -9.255 -5.631 1.00 17.22 C ATOM 261 CG GLU A 16 8.252 -9.081 -6.080 1.00 23.33 C ATOM 262 CD GLU A 16 8.835 -10.221 -6.902 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.642 -10.178 -8.127 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.595 -11.076 -6.345 1.00 28.86 O ATOM 0 H GLU A 16 4.177 -8.457 -5.079 1.00 11.04 H new ATOM 0 HA GLU A 16 6.935 -8.039 -3.965 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.761 -10.163 -5.031 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.202 -9.405 -6.509 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.317 -8.165 -6.667 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.876 -8.939 -5.198 1.00 23.33 H new ATOM 271 N VAL A 17 7.301 -5.873 -4.991 1.00 8.99 N ATOM 272 CA VAL A 17 7.394 -4.505 -5.371 1.00 8.85 C ATOM 273 C VAL A 17 8.881 -4.149 -5.504 1.00 8.04 C ATOM 274 O VAL A 17 9.780 -4.999 -5.239 1.00 8.99 O ATOM 275 CB VAL A 17 6.835 -3.554 -4.283 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.317 -3.680 -4.127 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.532 -3.671 -2.951 1.00 10.54 C ATOM 0 H VAL A 17 7.994 -6.146 -4.294 1.00 8.99 H new ATOM 0 HA VAL A 17 6.827 -4.384 -6.294 1.00 8.85 H new ATOM 0 HB VAL A 17 7.053 -2.551 -4.650 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.973 -2.994 -3.353 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.832 -3.434 -5.072 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.064 -4.702 -3.845 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.084 -2.974 -2.243 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.428 -4.688 -2.574 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.589 -3.436 -3.072 1.00 10.54 H new ATOM 287 N GLU A 18 9.197 -2.894 -5.981 1.00 7.29 N ATOM 288 CA GLU A 18 10.590 -2.440 -6.058 1.00 7.08 C ATOM 289 C GLU A 18 10.723 -1.046 -5.515 1.00 6.45 C ATOM 290 O GLU A 18 9.795 -0.290 -5.749 1.00 5.28 O ATOM 291 CB GLU A 18 10.868 -2.338 -7.562 1.00 10.28 C ATOM 292 CG GLU A 18 12.311 -2.095 -8.071 1.00 12.65 C ATOM 293 CD GLU A 18 12.558 -2.021 -9.579 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.939 -1.056 -10.141 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.337 -2.791 -10.188 1.00 14.33 O ATOM 0 H GLU A 18 8.509 -2.213 -6.304 1.00 7.29 H new ATOM 0 HA GLU A 18 11.252 -3.107 -5.506 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.515 -3.262 -8.020 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.247 -1.531 -7.952 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.663 -1.161 -7.633 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.940 -2.891 -7.672 1.00 12.65 H new ATOM 302 N PRO A 19 11.859 -0.613 -4.906 1.00 7.24 N ATOM 303 CA PRO A 19 11.986 0.685 -4.232 1.00 7.07 C ATOM 304 C PRO A 19 11.624 1.915 -5.017 1.00 6.65 C ATOM 305 O PRO A 19 11.184 2.888 -4.483 1.00 6.37 O ATOM 306 CB PRO A 19 13.392 0.745 -3.756 1.00 7.61 C ATOM 307 CG PRO A 19 13.657 -0.669 -3.362 1.00 8.16 C ATOM 308 CD PRO A 19 12.947 -1.507 -4.419 1.00 7.49 C ATOM 0 HA PRO A 19 11.241 0.716 -3.437 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.072 1.083 -4.538 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.508 1.429 -2.916 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.726 -0.880 -3.342 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.272 -0.881 -2.365 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.623 -1.791 -5.225 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.548 -2.430 -3.997 1.00 7.49 H new ATOM 316 N SER A 20 11.857 1.892 -6.379 1.00 6.80 N ATOM 317 CA SER A 20 11.515 2.997 -7.244 1.00 6.28 C ATOM 318 C SER A 20 10.071 3.081 -7.623 1.00 8.45 C ATOM 319 O SER A 20 9.611 4.071 -8.217 1.00 7.26 O ATOM 320 CB SER A 20 12.318 3.108 -8.559 1.00 8.57 C ATOM 321 OG SER A 20 12.431 1.830 -9.217 1.00 11.13 O ATOM 0 H SER A 20 12.282 1.102 -6.864 1.00 6.80 H new ATOM 0 HA SER A 20 11.786 3.824 -6.588 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.831 3.820 -9.225 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.313 3.499 -8.347 1.00 8.57 H new ATOM 0 HG SER A 20 12.943 1.933 -10.046 1.00 11.13 H new ATOM 327 N ASP A 21 9.251 2.089 -7.352 1.00 7.50 N ATOM 328 CA ASP A 21 7.818 2.061 -7.482 1.00 7.70 C ATOM 329 C ASP A 21 7.082 3.071 -6.567 1.00 7.08 C ATOM 330 O ASP A 21 7.425 3.172 -5.401 1.00 8.11 O ATOM 331 CB ASP A 21 7.247 0.643 -7.341 1.00 11.00 C ATOM 332 CG ASP A 21 7.686 -0.323 -8.435 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.222 0.011 -9.519 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.305 -1.525 -8.208 1.00 14.36 O ATOM 0 H ASP A 21 9.609 1.200 -7.002 1.00 7.50 H new ATOM 0 HA ASP A 21 7.622 2.394 -8.501 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.546 0.238 -6.374 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.159 0.701 -7.339 1.00 11.00 H new ATOM 339 N THR A 22 6.156 3.799 -7.147 1.00 5.37 N ATOM 340 CA THR A 22 5.254 4.691 -6.427 1.00 6.01 C ATOM 341 C THR A 22 4.111 3.984 -5.744 1.00 8.01 C ATOM 342 O THR A 22 3.769 2.802 -6.035 1.00 8.11 O ATOM 343 CB THR A 22 4.624 5.798 -7.327 1.00 8.92 C ATOM 344 OG1 THR A 22 3.878 5.203 -8.335 1.00 10.22 O ATOM 345 CG2 THR A 22 5.697 6.651 -7.950 1.00 9.65 C ATOM 0 H THR A 22 5.999 3.793 -8.155 1.00 5.37 H new ATOM 0 HA THR A 22 5.911 5.139 -5.681 1.00 6.01 H new ATOM 0 HB THR A 22 3.986 6.428 -6.707 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.456 5.019 -9.105 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.236 7.417 -8.574 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.285 7.127 -7.165 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.348 6.027 -8.563 1.00 9.65 H new ATOM 353 N ILE A 23 3.450 4.687 -4.813 1.00 8.32 N ATOM 354 CA ILE A 23 2.314 4.230 -4.041 1.00 9.92 C ATOM 355 C ILE A 23 1.122 3.975 -4.878 1.00 10.01 C ATOM 356 O ILE A 23 0.324 3.037 -4.678 1.00 8.71 O ATOM 357 CB ILE A 23 2.063 5.113 -2.829 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.337 5.171 -1.955 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.840 4.719 -1.911 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.829 3.943 -1.222 1.00 12.30 C ATOM 0 H ILE A 23 3.719 5.642 -4.575 1.00 8.32 H new ATOM 0 HA ILE A 23 2.566 3.251 -3.633 1.00 9.92 H new ATOM 0 HB ILE A 23 1.801 6.081 -3.256 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.151 5.508 -2.597 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.178 5.948 -1.207 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.766 5.423 -1.082 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.079 4.749 -2.496 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.988 3.712 -1.520 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.734 4.189 -0.666 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.060 3.600 -0.530 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.048 3.154 -1.941 1.00 12.30 H new ATOM 372 N GLU A 24 0.924 4.848 -5.931 1.00 9.54 N ATOM 373 CA GLU A 24 -0.019 4.595 -7.039 1.00 11.81 C ATOM 374 C GLU A 24 0.089 3.183 -7.743 1.00 11.14 C ATOM 375 O GLU A 24 -0.959 2.539 -7.986 1.00 10.62 O ATOM 376 CB GLU A 24 0.223 5.648 -8.260 1.00 19.24 C ATOM 377 CG GLU A 24 -0.716 5.458 -9.426 1.00 27.76 C ATOM 378 CD GLU A 24 -0.745 6.575 -10.487 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.269 7.353 -10.515 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.677 6.645 -11.305 1.00 34.80 O ATOM 0 H GLU A 24 1.420 5.735 -6.016 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.984 4.680 -6.539 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.112 6.663 -7.879 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.250 5.550 -8.613 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.454 4.524 -9.924 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.725 5.338 -9.033 1.00 27.76 H new ATOM 387 N ASN A 25 1.290 2.733 -7.978 1.00 9.43 N ATOM 388 CA ASN A 25 1.513 1.441 -8.560 1.00 10.96 C ATOM 389 C ASN A 25 1.295 0.309 -7.523 1.00 9.68 C ATOM 390 O ASN A 25 0.709 -0.689 -7.854 1.00 9.33 O ATOM 391 CB ASN A 25 2.944 1.258 -9.169 1.00 16.78 C ATOM 392 CG ASN A 25 3.025 2.048 -10.503 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.013 1.393 -11.590 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.942 3.365 -10.491 1.00 24.70 N ATOM 0 H ASN A 25 2.142 3.253 -7.771 1.00 9.43 H new ATOM 0 HA ASN A 25 0.785 1.378 -9.368 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.700 1.618 -8.471 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.148 0.201 -9.343 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.866 3.879 -11.369 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.954 3.869 -9.604 1.00 24.70 H new ATOM 401 N VAL A 26 1.689 0.488 -6.238 1.00 6.52 N ATOM 402 CA VAL A 26 1.421 -0.527 -5.223 1.00 5.53 C ATOM 403 C VAL A 26 -0.077 -0.700 -5.011 1.00 4.42 C ATOM 404 O VAL A 26 -0.576 -1.791 -4.890 1.00 3.40 O ATOM 405 CB VAL A 26 2.159 -0.225 -3.942 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.127 -1.493 -3.024 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.666 0.118 -4.252 1.00 8.12 C ATOM 0 H VAL A 26 2.183 1.313 -5.897 1.00 6.52 H new ATOM 0 HA VAL A 26 1.802 -1.483 -5.582 1.00 5.53 H new ATOM 0 HB VAL A 26 1.681 0.623 -3.451 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.658 -1.284 -2.096 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.093 -1.754 -2.799 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.608 -2.326 -3.537 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.189 0.334 -3.320 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.139 -0.732 -4.745 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.714 0.989 -4.906 1.00 8.12 H new ATOM 417 N LYS A 27 -0.818 0.426 -5.050 1.00 2.64 N ATOM 418 CA LYS A 27 -2.285 0.329 -5.084 1.00 4.14 C ATOM 419 C LYS A 27 -2.867 -0.377 -6.303 1.00 5.58 C ATOM 420 O LYS A 27 -3.835 -1.083 -6.175 1.00 4.11 O ATOM 421 CB LYS A 27 -2.913 1.669 -4.879 1.00 3.97 C ATOM 422 CG LYS A 27 -2.555 2.387 -3.548 1.00 7.45 C ATOM 423 CD LYS A 27 -3.065 3.840 -3.471 1.00 9.02 C ATOM 424 CE LYS A 27 -3.415 4.398 -2.105 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.219 5.588 -2.406 1.00 15.47 N ATOM 0 H LYS A 27 -0.442 1.374 -5.058 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.540 -0.324 -4.249 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.624 2.315 -5.708 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.996 1.553 -4.928 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.973 1.820 -2.716 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.472 2.384 -3.424 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.304 4.485 -3.911 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.951 3.917 -4.101 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.976 3.677 -1.510 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.521 4.653 -1.536 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.338 6.154 -1.542 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.737 6.158 -3.130 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.152 5.296 -2.760 1.00 15.47 H new ATOM 439 N ALA A 28 -2.301 -0.152 -7.503 1.00 6.61 N ATOM 440 CA ALA A 28 -2.675 -0.806 -8.739 1.00 7.74 C ATOM 441 C ALA A 28 -2.486 -2.329 -8.715 1.00 9.17 C ATOM 442 O ALA A 28 -3.309 -3.128 -9.161 1.00 11.45 O ATOM 443 CB ALA A 28 -1.855 -0.185 -9.869 1.00 7.68 C ATOM 0 H ALA A 28 -1.543 0.519 -7.627 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.743 -0.650 -8.890 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.118 -0.661 -10.814 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.068 0.882 -9.929 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.793 -0.333 -9.672 1.00 7.68 H new ATOM 449 N LYS A 29 -1.438 -2.851 -8.074 1.00 8.96 N ATOM 450 CA LYS A 29 -1.272 -4.297 -7.875 1.00 7.90 C ATOM 451 C LYS A 29 -2.348 -4.851 -6.896 1.00 6.92 C ATOM 452 O LYS A 29 -2.915 -5.929 -7.092 1.00 6.87 O ATOM 453 CB LYS A 29 0.194 -4.571 -7.309 1.00 10.28 C ATOM 454 CG LYS A 29 1.275 -4.399 -8.322 1.00 14.94 C ATOM 455 CD LYS A 29 2.650 -4.846 -7.801 1.00 19.69 C ATOM 456 CE LYS A 29 3.731 -4.518 -8.811 1.00 22.63 C ATOM 457 NZ LYS A 29 3.731 -5.550 -9.875 1.00 24.98 N ATOM 0 H LYS A 29 -0.683 -2.289 -7.679 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.401 -4.810 -8.828 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.382 -3.897 -6.473 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.237 -5.586 -6.915 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.025 -4.972 -9.215 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.326 -3.351 -8.619 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.866 -4.350 -6.854 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.640 -5.918 -7.605 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.555 -3.533 -9.243 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.704 -4.483 -8.322 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.471 -5.330 -10.572 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.917 -6.483 -9.454 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.804 -5.562 -10.347 1.00 24.98 H new ATOM 471 N ILE A 30 -2.577 -4.144 -5.763 1.00 4.57 N ATOM 472 CA ILE A 30 -3.676 -4.496 -4.893 1.00 5.58 C ATOM 473 C ILE A 30 -5.076 -4.447 -5.464 1.00 7.26 C ATOM 474 O ILE A 30 -5.932 -5.285 -5.143 1.00 9.46 O ATOM 475 CB ILE A 30 -3.521 -3.644 -3.619 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.152 -3.953 -2.884 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.684 -3.732 -2.633 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.755 -2.794 -1.970 1.00 2.00 C ATOM 0 H ILE A 30 -2.019 -3.349 -5.453 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.593 -5.565 -4.696 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.524 -2.615 -3.980 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.246 -4.868 -2.299 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.368 -4.126 -3.622 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.479 -3.097 -1.771 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.600 -3.398 -3.120 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.804 -4.764 -2.303 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.812 -3.027 -1.475 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.639 -1.887 -2.563 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.530 -2.641 -1.219 1.00 2.00 H new ATOM 490 N GLN A 31 -5.413 -3.396 -6.285 1.00 7.06 N ATOM 491 CA GLN A 31 -6.603 -3.383 -7.116 1.00 8.67 C ATOM 492 C GLN A 31 -6.772 -4.688 -7.964 1.00 10.90 C ATOM 493 O GLN A 31 -7.764 -5.445 -7.869 1.00 9.63 O ATOM 494 CB GLN A 31 -6.531 -2.139 -8.069 1.00 9.12 C ATOM 495 CG GLN A 31 -7.828 -1.847 -8.883 1.00 10.76 C ATOM 496 CD GLN A 31 -7.652 -0.645 -9.867 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.516 -0.248 -10.183 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.806 -0.088 -10.300 1.00 14.76 N ATOM 0 H GLN A 31 -4.848 -2.550 -6.367 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.469 -3.326 -6.457 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.290 -1.259 -7.473 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.708 -2.285 -8.769 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.109 -2.737 -9.446 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.646 -1.634 -8.195 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.702 -0.470 -9.997 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.780 0.714 -10.930 1.00 14.76 H new ATOM 507 N ASP A 32 -5.720 -5.066 -8.697 1.00 10.93 N ATOM 508 CA ASP A 32 -5.689 -6.228 -9.556 1.00 14.01 C ATOM 509 C ASP A 32 -5.931 -7.549 -8.726 1.00 14.04 C ATOM 510 O ASP A 32 -6.758 -8.426 -9.062 1.00 13.39 O ATOM 511 CB ASP A 32 -4.326 -6.290 -10.426 1.00 18.01 C ATOM 512 CG ASP A 32 -4.601 -7.207 -11.597 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.265 -6.753 -12.540 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.014 -8.289 -11.635 1.00 25.17 O ATOM 0 H ASP A 32 -4.843 -4.546 -8.701 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.508 -6.141 -10.270 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.041 -5.296 -10.771 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.499 -6.668 -9.824 1.00 18.01 H new ATOM 519 N LYS A 33 -5.224 -7.730 -7.562 1.00 14.22 N ATOM 520 CA LYS A 33 -5.423 -8.844 -6.713 1.00 14.00 C ATOM 521 C LYS A 33 -6.717 -8.866 -5.916 1.00 12.37 C ATOM 522 O LYS A 33 -7.446 -9.852 -5.955 1.00 12.17 O ATOM 523 CB LYS A 33 -4.239 -8.923 -5.756 1.00 18.62 C ATOM 524 CG LYS A 33 -4.134 -10.082 -4.791 1.00 24.00 C ATOM 525 CD LYS A 33 -2.733 -10.094 -4.113 1.00 27.61 C ATOM 526 CE LYS A 33 -1.492 -10.409 -4.972 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.387 -11.845 -5.241 1.00 30.06 N ATOM 0 H LYS A 33 -4.512 -7.079 -7.231 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.502 -9.707 -7.374 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.331 -8.918 -6.359 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.235 -8.006 -5.166 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.912 -10.004 -4.032 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.298 -11.021 -5.320 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.579 -9.116 -3.658 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.766 -10.821 -3.302 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.550 -9.863 -5.914 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.594 -10.065 -4.459 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.543 -12.029 -5.821 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.309 -12.362 -4.342 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.234 -12.165 -5.752 1.00 30.06 H new ATOM 541 N GLU A 34 -7.076 -7.782 -5.238 1.00 10.11 N ATOM 542 CA GLU A 34 -8.179 -7.904 -4.247 1.00 10.07 C ATOM 543 C GLU A 34 -9.377 -7.012 -4.668 1.00 9.32 C ATOM 544 O GLU A 34 -10.484 -7.030 -4.083 1.00 11.61 O ATOM 545 CB GLU A 34 -7.640 -7.292 -2.894 1.00 14.77 C ATOM 546 CG GLU A 34 -6.488 -8.035 -2.076 1.00 18.75 C ATOM 547 CD GLU A 34 -6.902 -9.428 -1.632 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.807 -9.485 -0.789 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.373 -10.454 -2.080 1.00 25.19 O ATOM 0 H GLU A 34 -6.660 -6.855 -5.333 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.489 -8.946 -4.166 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.282 -6.287 -3.115 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.494 -7.186 -2.225 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.593 -8.104 -2.695 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.225 -7.440 -1.201 1.00 18.75 H new ATOM 556 N GLY A 35 -9.262 -6.227 -5.715 1.00 7.22 N ATOM 557 CA GLY A 35 -10.413 -5.566 -6.237 1.00 6.29 C ATOM 558 C GLY A 35 -10.842 -4.269 -5.571 1.00 6.93 C ATOM 559 O GLY A 35 -11.988 -3.891 -5.752 1.00 7.41 O ATOM 0 H GLY A 35 -8.390 -6.039 -6.210 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.232 -5.358 -7.292 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.251 -6.262 -6.189 1.00 6.29 H new ATOM 563 N ILE A 36 -9.992 -3.753 -4.691 1.00 5.86 N ATOM 564 CA ILE A 36 -10.156 -2.490 -3.897 1.00 6.07 C ATOM 565 C ILE A 36 -9.878 -1.241 -4.719 1.00 6.36 C ATOM 566 O ILE A 36 -8.763 -1.266 -5.240 1.00 6.18 O ATOM 567 CB ILE A 36 -9.408 -2.473 -2.590 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.371 -3.807 -1.785 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.872 -1.393 -1.538 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.234 -3.819 -0.694 1.00 9.49 C ATOM 0 H ILE A 36 -9.107 -4.216 -4.483 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.212 -2.478 -3.627 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.424 -2.239 -2.995 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.336 -3.964 -1.302 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.220 -4.639 -2.473 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.262 -1.476 -0.638 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.756 -0.397 -1.964 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.919 -1.559 -1.284 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.251 -4.770 -0.161 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.265 -3.691 -1.177 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.398 -3.005 0.012 1.00 9.49 H new ATOM 582 N PRO A 37 -10.662 -0.217 -5.010 1.00 8.65 N ATOM 583 CA PRO A 37 -10.179 0.914 -5.745 1.00 9.18 C ATOM 584 C PRO A 37 -8.952 1.641 -5.124 1.00 9.85 C ATOM 585 O PRO A 37 -9.089 1.946 -3.949 1.00 8.51 O ATOM 586 CB PRO A 37 -11.369 1.817 -5.921 1.00 11.42 C ATOM 587 CG PRO A 37 -12.518 0.836 -6.021 1.00 9.27 C ATOM 588 CD PRO A 37 -12.155 -0.225 -5.036 1.00 8.33 C ATOM 0 HA PRO A 37 -9.772 0.580 -6.699 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.489 2.497 -5.078 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.282 2.432 -6.817 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.470 1.306 -5.773 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.615 0.432 -7.029 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.570 -0.011 -4.051 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.541 -1.198 -5.340 1.00 8.33 H new ATOM 596 N PRO A 38 -7.808 2.064 -5.749 1.00 8.71 N ATOM 597 CA PRO A 38 -6.822 2.981 -5.216 1.00 9.08 C ATOM 598 C PRO A 38 -7.254 4.212 -4.490 1.00 9.28 C ATOM 599 O PRO A 38 -6.584 4.690 -3.584 1.00 6.50 O ATOM 600 CB PRO A 38 -5.994 3.360 -6.403 1.00 10.31 C ATOM 601 CG PRO A 38 -5.914 2.026 -7.211 1.00 10.81 C ATOM 602 CD PRO A 38 -7.358 1.513 -7.009 1.00 12.00 C ATOM 0 HA PRO A 38 -6.323 2.448 -4.407 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.460 4.157 -6.983 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.006 3.715 -6.110 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.671 2.187 -8.261 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.167 1.340 -6.812 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.003 1.834 -7.827 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.385 0.424 -6.990 1.00 12.00 H new ATOM 610 N ASP A 39 -8.368 4.864 -4.836 1.00 11.20 N ATOM 611 CA ASP A 39 -8.973 6.058 -4.205 1.00 14.96 C ATOM 612 C ASP A 39 -9.934 5.654 -3.049 1.00 13.99 C ATOM 613 O ASP A 39 -10.513 6.522 -2.413 1.00 13.75 O ATOM 614 CB ASP A 39 -9.776 6.922 -5.241 1.00 24.16 C ATOM 615 CG ASP A 39 -8.967 7.540 -6.396 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.806 6.892 -7.487 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.440 8.666 -6.221 1.00 34.22 O ATOM 0 H ASP A 39 -8.923 4.549 -5.632 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.147 6.650 -3.811 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.560 6.298 -5.670 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.270 7.729 -4.701 1.00 24.16 H new ATOM 622 N GLN A 40 -9.998 4.311 -2.791 1.00 11.60 N ATOM 623 CA GLN A 40 -10.738 3.704 -1.681 1.00 10.76 C ATOM 624 C GLN A 40 -9.702 3.117 -0.732 1.00 8.01 C ATOM 625 O GLN A 40 -9.900 2.761 0.436 1.00 8.96 O ATOM 626 CB GLN A 40 -11.733 2.628 -2.275 1.00 11.14 C ATOM 627 CG GLN A 40 -12.587 1.842 -1.232 1.00 14.85 C ATOM 628 CD GLN A 40 -13.537 0.772 -1.791 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.367 -0.404 -1.410 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.467 1.128 -2.653 1.00 18.16 N ATOM 0 H GLN A 40 -9.520 3.622 -3.372 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.346 4.417 -1.124 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.410 3.130 -2.966 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.156 1.910 -2.858 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.908 1.361 -0.528 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.178 2.560 -0.664 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.560 2.106 -2.928 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.095 0.426 -3.045 1.00 18.16 H new ATOM 639 N GLN A 41 -8.495 2.972 -1.187 1.00 6.52 N ATOM 640 CA GLN A 41 -7.330 2.436 -0.445 1.00 3.87 C ATOM 641 C GLN A 41 -6.514 3.521 0.274 1.00 4.79 C ATOM 642 O GLN A 41 -6.169 4.590 -0.247 1.00 6.34 O ATOM 643 CB GLN A 41 -6.288 1.665 -1.389 1.00 4.20 C ATOM 644 CG GLN A 41 -6.878 0.444 -2.101 1.00 3.20 C ATOM 645 CD GLN A 41 -5.735 -0.120 -2.969 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.601 -0.114 -2.529 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.077 -0.530 -4.211 1.00 7.13 N ATOM 0 H GLN A 41 -8.253 3.233 -2.143 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.787 1.756 0.274 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.908 2.361 -2.137 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.436 1.346 -0.788 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.228 -0.298 -1.383 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.735 0.723 -2.714 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.053 -0.504 -4.506 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.359 -0.865 -4.853 1.00 7.13 H new ATOM 656 N ARG A 42 -6.220 3.193 1.518 1.00 5.73 N ATOM 657 CA ARG A 42 -5.341 3.997 2.317 1.00 6.97 C ATOM 658 C ARG A 42 -4.232 3.062 2.725 1.00 7.15 C ATOM 659 O ARG A 42 -4.478 2.014 3.331 1.00 7.33 O ATOM 660 CB ARG A 42 -6.113 4.647 3.514 1.00 13.23 C ATOM 661 CG ARG A 42 -7.105 5.803 3.010 1.00 21.27 C ATOM 662 CD ARG A 42 -7.874 6.296 4.211 1.00 26.14 C ATOM 663 NE ARG A 42 -8.392 7.687 3.933 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.964 8.520 4.792 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.691 7.920 5.733 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.080 9.830 4.691 1.00 36.39 N ATOM 0 H ARG A 42 -6.585 2.367 1.992 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.928 4.853 1.783 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.682 3.881 4.041 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.400 5.062 4.227 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.543 6.618 2.553 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.786 5.420 2.250 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.703 5.623 4.428 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.231 6.304 5.091 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.290 8.024 2.976 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.768 6.903 5.747 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.170 8.477 6.440 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.703 10.314 3.876 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.547 10.359 5.428 1.00 36.39 H new ATOM 680 N LEU A 43 -2.969 3.374 2.287 1.00 4.65 N ATOM 681 CA LEU A 43 -1.839 2.594 2.720 1.00 3.51 C ATOM 682 C LEU A 43 -1.054 3.233 3.831 1.00 5.56 C ATOM 683 O LEU A 43 -0.824 4.433 3.767 1.00 4.19 O ATOM 684 CB LEU A 43 -0.877 2.244 1.450 1.00 3.74 C ATOM 685 CG LEU A 43 -1.552 1.638 0.160 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.428 1.194 -0.751 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.500 0.467 0.429 1.00 6.41 C ATOM 0 H LEU A 43 -2.747 4.143 1.654 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.241 1.671 3.137 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.361 3.159 1.159 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.115 1.542 1.790 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.181 2.408 -0.287 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.846 0.765 -1.662 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.194 2.052 -1.006 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.178 0.444 -0.242 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.918 0.114 -0.513 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.951 -0.343 0.909 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.307 0.795 1.084 1.00 6.41 H new ATOM 699 N ILE A 44 -0.787 2.517 4.932 1.00 4.58 N ATOM 700 CA ILE A 44 -0.212 3.132 6.146 1.00 5.55 C ATOM 701 C ILE A 44 0.967 2.395 6.717 1.00 5.46 C ATOM 702 O ILE A 44 0.887 1.198 6.957 1.00 6.04 O ATOM 703 CB ILE A 44 -1.212 3.299 7.336 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.568 3.840 6.885 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.657 4.065 8.580 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.654 3.943 7.972 1.00 13.90 C ATOM 0 H ILE A 44 -0.958 1.515 5.011 1.00 4.58 H new ATOM 0 HA ILE A 44 0.086 4.106 5.757 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.360 2.281 7.696 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.416 4.831 6.457 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.943 3.201 6.085 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.431 4.124 9.346 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.208 3.534 8.978 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.361 5.072 8.285 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.570 4.339 7.534 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.848 2.954 8.387 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.313 4.609 8.765 1.00 13.90 H new ATOM 718 N PHE A 45 2.081 3.046 6.960 1.00 6.75 N ATOM 719 CA PHE A 45 3.264 2.446 7.493 1.00 4.70 C ATOM 720 C PHE A 45 3.883 3.502 8.372 1.00 6.34 C ATOM 721 O PHE A 45 3.881 4.648 8.018 1.00 5.45 O ATOM 722 CB PHE A 45 4.198 1.927 6.340 1.00 5.51 C ATOM 723 CG PHE A 45 5.516 1.552 6.784 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.705 0.377 7.553 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.557 2.397 6.571 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.995 0.027 7.987 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.885 2.037 6.981 1.00 6.64 C ATOM 728 CZ PHE A 45 8.114 0.833 7.711 1.00 6.84 C ATOM 0 H PHE A 45 2.183 4.045 6.782 1.00 6.75 H new ATOM 0 HA PHE A 45 3.063 1.553 8.084 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.727 1.067 5.863 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.288 2.704 5.580 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.861 -0.247 7.805 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.385 3.348 6.089 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.131 -0.886 8.548 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.716 2.682 6.735 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.104 0.552 8.038 1.00 6.84 H new ATOM 738 N ALA A 46 4.471 3.110 9.489 1.00 6.53 N ATOM 739 CA ALA A 46 5.164 4.023 10.467 1.00 7.15 C ATOM 740 C ALA A 46 4.255 5.159 10.948 1.00 9.00 C ATOM 741 O ALA A 46 4.720 6.263 11.295 1.00 11.15 O ATOM 742 CB ALA A 46 6.537 4.400 10.047 1.00 8.99 C ATOM 0 H ALA A 46 4.497 2.131 9.775 1.00 6.53 H new ATOM 0 HA ALA A 46 5.352 3.451 11.375 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.979 5.058 10.795 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.147 3.502 9.948 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.495 4.917 9.089 1.00 8.99 H new ATOM 748 N GLY A 47 2.908 4.884 11.143 1.00 9.35 N ATOM 749 CA GLY A 47 1.935 5.751 11.692 1.00 11.68 C ATOM 750 C GLY A 47 1.400 6.824 10.693 1.00 11.14 C ATOM 751 O GLY A 47 0.639 7.745 11.013 1.00 13.93 O ATOM 0 H GLY A 47 2.510 3.981 10.886 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.096 5.156 12.053 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.362 6.257 12.558 1.00 11.68 H new ATOM 755 N LYS A 48 1.896 6.762 9.429 1.00 10.47 N ATOM 756 CA LYS A 48 1.753 7.747 8.399 1.00 8.82 C ATOM 757 C LYS A 48 1.159 7.182 7.118 1.00 7.68 C ATOM 758 O LYS A 48 1.658 6.145 6.645 1.00 6.47 O ATOM 759 CB LYS A 48 3.195 8.207 7.952 1.00 9.74 C ATOM 760 CG LYS A 48 3.977 8.895 9.128 1.00 14.14 C ATOM 761 CD LYS A 48 5.250 9.546 8.687 1.00 16.32 C ATOM 762 CE LYS A 48 6.287 9.572 9.763 1.00 20.04 C ATOM 763 NZ LYS A 48 7.545 10.055 9.225 1.00 23.92 N ATOM 0 H LYS A 48 2.437 5.957 9.113 1.00 10.47 H new ATOM 0 HA LYS A 48 1.118 8.530 8.813 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.758 7.344 7.596 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.112 8.901 7.115 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.336 9.644 9.593 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.203 8.150 9.891 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.644 9.014 7.821 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.039 10.566 8.366 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.960 10.215 10.580 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.419 8.573 10.178 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.262 10.071 9.978 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.860 9.425 8.460 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.416 11.016 8.850 1.00 23.92 H new ATOM 777 N GLN A 49 0.150 7.880 6.597 1.00 8.89 N ATOM 778 CA GLN A 49 -0.407 7.501 5.348 1.00 7.18 C ATOM 779 C GLN A 49 0.443 7.909 4.182 1.00 8.23 C ATOM 780 O GLN A 49 1.025 8.916 4.065 1.00 9.70 O ATOM 781 CB GLN A 49 -1.878 8.069 5.193 1.00 11.67 C ATOM 782 CG GLN A 49 -2.591 7.494 3.895 1.00 15.82 C ATOM 783 CD GLN A 49 -4.087 7.934 3.782 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.757 7.778 4.805 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.552 8.474 2.660 1.00 20.67 N ATOM 0 H GLN A 49 -0.278 8.697 7.032 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.445 6.412 5.342 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.464 7.811 6.075 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.845 9.157 5.139 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.050 7.829 3.010 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.537 6.405 3.908 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.940 8.573 1.850 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.521 8.790 2.609 1.00 20.67 H new ATOM 794 N LEU A 50 0.564 6.958 3.305 1.00 6.51 N ATOM 795 CA LEU A 50 1.410 6.992 2.111 1.00 7.41 C ATOM 796 C LEU A 50 0.779 7.723 0.908 1.00 8.27 C ATOM 797 O LEU A 50 -0.281 7.355 0.444 1.00 8.34 O ATOM 798 CB LEU A 50 2.018 5.581 1.707 1.00 7.13 C ATOM 799 CG LEU A 50 2.364 4.575 2.835 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.748 3.173 2.285 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.531 5.108 3.720 1.00 9.11 C ATOM 0 H LEU A 50 0.053 6.080 3.393 1.00 6.51 H new ATOM 0 HA LEU A 50 2.257 7.605 2.417 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.311 5.095 1.035 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.928 5.763 1.135 1.00 7.13 H new ATOM 0 HG LEU A 50 1.460 4.471 3.436 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.981 2.507 3.116 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.913 2.764 1.716 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.620 3.263 1.637 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.754 4.384 4.503 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.416 5.259 3.102 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.240 6.055 4.174 1.00 9.11 H new ATOM 813 N GLU A 51 1.366 8.810 0.422 1.00 9.43 N ATOM 814 CA GLU A 51 0.810 9.617 -0.710 1.00 11.90 C ATOM 815 C GLU A 51 1.110 9.001 -2.055 1.00 11.49 C ATOM 816 O GLU A 51 2.192 8.483 -2.323 1.00 9.88 O ATOM 817 CB GLU A 51 1.175 11.082 -0.622 1.00 16.56 C ATOM 818 CG GLU A 51 0.391 11.755 0.526 1.00 26.06 C ATOM 819 CD GLU A 51 0.297 13.268 0.463 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.366 13.938 0.471 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.798 13.827 0.277 1.00 33.44 O ATOM 0 H GLU A 51 2.245 9.176 0.788 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.275 9.588 -0.607 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.246 11.189 -0.453 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.951 11.578 -1.566 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.620 11.347 0.538 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.858 11.478 1.471 1.00 26.06 H new ATOM 828 N ASP A 52 0.087 9.051 -2.973 1.00 12.71 N ATOM 829 CA ASP A 52 0.067 8.366 -4.280 1.00 16.56 C ATOM 830 C ASP A 52 1.306 8.589 -5.190 1.00 15.83 C ATOM 831 O ASP A 52 1.845 7.639 -5.765 1.00 17.21 O ATOM 832 CB ASP A 52 -1.244 8.610 -5.079 1.00 21.05 C ATOM 833 CG ASP A 52 -2.426 8.521 -4.077 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.845 7.376 -3.744 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.981 9.514 -3.645 1.00 25.82 O ATOM 0 H ASP A 52 -0.763 9.589 -2.802 1.00 12.71 H new ATOM 0 HA ASP A 52 0.111 7.317 -3.986 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.223 9.588 -5.561 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.355 7.868 -5.869 1.00 21.05 H new ATOM 840 N GLY A 53 1.780 9.826 -5.381 1.00 15.00 N ATOM 841 CA GLY A 53 2.877 10.089 -6.364 1.00 11.77 C ATOM 842 C GLY A 53 4.293 10.001 -5.773 1.00 11.10 C ATOM 843 O GLY A 53 5.211 10.356 -6.480 1.00 11.25 O ATOM 0 H GLY A 53 1.442 10.653 -4.889 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.793 9.375 -7.183 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.736 11.082 -6.791 1.00 11.77 H new ATOM 847 N ARG A 54 4.447 9.581 -4.440 1.00 8.53 N ATOM 848 CA ARG A 54 5.727 9.269 -3.912 1.00 9.05 C ATOM 849 C ARG A 54 6.100 7.833 -4.003 1.00 8.96 C ATOM 850 O ARG A 54 5.285 6.971 -4.263 1.00 11.60 O ATOM 851 CB ARG A 54 5.875 9.777 -2.457 1.00 7.97 C ATOM 852 CG ARG A 54 5.175 11.074 -2.175 1.00 9.62 C ATOM 853 CD ARG A 54 5.464 11.607 -0.798 1.00 12.20 C ATOM 854 NE ARG A 54 6.884 11.974 -0.769 1.00 18.23 N ATOM 855 CZ ARG A 54 7.712 12.021 0.285 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.364 11.708 1.498 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.964 12.366 0.071 1.00 23.38 N ATOM 0 H ARG A 54 3.677 9.474 -3.780 1.00 8.53 H new ATOM 0 HA ARG A 54 6.431 9.799 -4.554 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.489 9.016 -1.779 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.935 9.895 -2.233 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.478 11.813 -2.916 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.100 10.933 -2.286 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.838 12.472 -0.580 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.244 10.855 -0.040 1.00 12.20 H new ATOM 0 HE ARG A 54 7.295 12.226 -1.668 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.410 11.404 1.693 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.045 11.766 2.255 1.00 25.50 H new ATOM 0 HH21 ARG A 54 9.278 12.588 -0.874 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.621 12.412 0.850 1.00 23.38 H new ATOM 871 N THR A 55 7.406 7.536 -3.782 1.00 9.05 N ATOM 872 CA THR A 55 7.876 6.188 -3.910 1.00 9.03 C ATOM 873 C THR A 55 8.018 5.460 -2.573 1.00 8.15 C ATOM 874 O THR A 55 7.997 6.012 -1.487 1.00 5.91 O ATOM 875 CB THR A 55 9.215 5.968 -4.631 1.00 11.15 C ATOM 876 OG1 THR A 55 10.385 6.381 -3.944 1.00 11.95 O ATOM 877 CG2 THR A 55 9.321 6.718 -5.973 1.00 11.71 C ATOM 0 H THR A 55 8.118 8.218 -3.520 1.00 9.05 H new ATOM 0 HA THR A 55 7.076 5.784 -4.531 1.00 9.03 H new ATOM 0 HB THR A 55 9.189 4.883 -4.729 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.190 7.186 -3.420 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.292 6.517 -6.426 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.531 6.379 -6.643 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.216 7.789 -5.800 1.00 11.71 H new ATOM 885 N LEU A 56 8.177 4.095 -2.692 1.00 6.91 N ATOM 886 CA LEU A 56 8.559 3.195 -1.601 1.00 8.29 C ATOM 887 C LEU A 56 9.948 3.567 -0.927 1.00 8.05 C ATOM 888 O LEU A 56 10.036 3.470 0.285 1.00 10.17 O ATOM 889 CB LEU A 56 8.620 1.717 -1.928 1.00 6.60 C ATOM 890 CG LEU A 56 7.232 1.230 -2.396 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.304 -0.075 -3.281 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.278 0.963 -1.216 1.00 8.64 C ATOM 0 H LEU A 56 8.035 3.606 -3.576 1.00 6.91 H new ATOM 0 HA LEU A 56 7.725 3.357 -0.918 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.361 1.537 -2.707 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.937 1.153 -1.051 1.00 6.60 H new ATOM 0 HG LEU A 56 6.843 2.048 -3.003 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.297 -0.368 -3.579 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.903 0.121 -4.170 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.761 -0.880 -2.706 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.315 0.623 -1.597 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.704 0.196 -0.570 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.139 1.881 -0.646 1.00 8.64 H new ATOM 904 N SER A 57 11.007 4.025 -1.700 1.00 8.92 N ATOM 905 CA SER A 57 12.239 4.612 -1.289 1.00 9.00 C ATOM 906 C SER A 57 12.030 5.842 -0.421 1.00 9.44 C ATOM 907 O SER A 57 12.622 6.025 0.655 1.00 10.91 O ATOM 908 CB SER A 57 13.199 4.875 -2.552 1.00 10.32 C ATOM 909 OG SER A 57 14.385 5.523 -2.148 1.00 13.59 O ATOM 0 H SER A 57 10.960 3.961 -2.717 1.00 8.92 H new ATOM 0 HA SER A 57 12.755 3.897 -0.648 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.442 3.928 -3.034 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.679 5.485 -3.290 1.00 10.32 H new ATOM 0 HG SER A 57 14.958 5.674 -2.929 1.00 13.59 H new ATOM 915 N ASP A 58 11.062 6.656 -0.767 1.00 9.11 N ATOM 916 CA ASP A 58 10.893 7.938 -0.012 1.00 7.91 C ATOM 917 C ASP A 58 10.183 7.828 1.362 1.00 9.12 C ATOM 918 O ASP A 58 10.188 8.678 2.255 1.00 8.61 O ATOM 919 CB ASP A 58 10.052 8.879 -0.848 1.00 8.41 C ATOM 920 CG ASP A 58 10.828 9.281 -2.094 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.839 9.997 -1.920 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.506 8.794 -3.168 1.00 11.70 O ATOM 0 H ASP A 58 10.395 6.495 -1.522 1.00 9.11 H new ATOM 0 HA ASP A 58 11.909 8.283 0.180 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.117 8.395 -1.129 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.791 9.764 -0.268 1.00 8.41 H new ATOM 927 N TYR A 59 9.523 6.700 1.571 1.00 7.97 N ATOM 928 CA TYR A 59 8.818 6.393 2.823 1.00 8.45 C ATOM 929 C TYR A 59 9.589 5.351 3.641 1.00 10.98 C ATOM 930 O TYR A 59 9.137 4.960 4.738 1.00 12.95 O ATOM 931 CB TYR A 59 7.395 5.830 2.605 1.00 7.94 C ATOM 932 CG TYR A 59 6.398 6.950 2.319 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.085 7.790 3.342 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.795 7.163 1.061 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.360 8.977 3.137 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.903 8.216 0.847 1.00 6.52 C ATOM 937 CZ TYR A 59 4.693 9.105 1.899 1.00 6.76 C ATOM 938 OH TYR A 59 3.588 9.992 1.786 1.00 7.63 O ATOM 0 H TYR A 59 9.456 5.958 0.874 1.00 7.97 H new ATOM 0 HA TYR A 59 8.747 7.346 3.347 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.403 5.125 1.774 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.080 5.276 3.489 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.403 7.537 4.343 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.029 6.496 0.244 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.315 9.752 3.888 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.395 8.337 -0.098 1.00 6.52 H new ATOM 0 HH TYR A 59 3.915 10.910 1.681 1.00 7.63 H new ATOM 948 N ASN A 60 10.756 4.953 3.130 1.00 12.38 N ATOM 949 CA ASN A 60 11.698 3.996 3.711 1.00 13.94 C ATOM 950 C ASN A 60 11.009 2.658 3.991 1.00 14.16 C ATOM 951 O ASN A 60 10.973 2.104 5.096 1.00 14.26 O ATOM 952 CB ASN A 60 12.294 4.501 5.100 1.00 19.23 C ATOM 953 CG ASN A 60 13.373 5.525 4.657 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.346 5.153 4.019 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.224 6.796 5.009 1.00 24.09 N ATOM 0 H ASN A 60 11.090 5.317 2.237 1.00 12.38 H new ATOM 0 HA ASN A 60 12.499 3.888 2.980 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.529 4.963 5.724 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.725 3.683 5.677 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.930 7.484 4.747 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.404 7.085 5.542 1.00 24.09 H new ATOM 962 N ILE A 61 10.495 2.095 2.949 1.00 11.08 N ATOM 963 CA ILE A 61 9.846 0.801 2.975 1.00 11.78 C ATOM 964 C ILE A 61 10.804 -0.121 2.351 1.00 13.74 C ATOM 965 O ILE A 61 11.627 0.228 1.434 1.00 14.60 O ATOM 966 CB ILE A 61 8.506 0.807 2.279 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.493 1.656 3.095 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.990 -0.576 1.987 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.210 2.190 2.473 1.00 11.42 C ATOM 0 H ILE A 61 10.509 2.524 2.024 1.00 11.08 H new ATOM 0 HA ILE A 61 9.606 0.497 3.994 1.00 11.78 H new ATOM 0 HB ILE A 61 8.639 1.271 1.302 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.200 1.056 3.956 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.040 2.517 3.478 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.024 -0.506 1.487 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.696 -1.099 1.342 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.876 -1.126 2.921 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.652 2.755 3.219 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.456 2.841 1.634 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.603 1.357 2.120 1.00 11.42 H new ATOM 981 N GLN A 62 11.061 -1.304 2.951 1.00 13.97 N ATOM 982 CA GLN A 62 12.196 -2.207 2.665 1.00 15.52 C ATOM 983 C GLN A 62 11.687 -3.580 2.434 1.00 13.94 C ATOM 984 O GLN A 62 10.485 -3.848 2.498 1.00 12.15 O ATOM 985 CB GLN A 62 13.146 -2.271 3.929 1.00 19.53 C ATOM 986 CG GLN A 62 13.964 -0.936 4.214 1.00 26.38 C ATOM 987 CD GLN A 62 14.954 -1.081 5.397 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.114 -1.409 5.241 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.416 -0.845 6.627 1.00 32.71 N ATOM 0 H GLN A 62 10.453 -1.672 3.683 1.00 13.97 H new ATOM 0 HA GLN A 62 12.730 -1.835 1.791 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.545 -2.507 4.807 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.851 -3.092 3.796 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.515 -0.654 3.317 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.266 -0.126 4.427 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.437 -0.572 6.711 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.992 -0.942 7.463 1.00 32.71 H new ATOM 998 N LYS A 63 12.606 -4.499 2.211 1.00 11.73 N ATOM 999 CA LYS A 63 12.368 -5.935 2.169 1.00 11.97 C ATOM 1000 C LYS A 63 11.777 -6.477 3.445 1.00 10.41 C ATOM 1001 O LYS A 63 12.161 -6.099 4.584 1.00 9.59 O ATOM 1002 CB LYS A 63 13.716 -6.654 1.731 1.00 13.73 C ATOM 1003 CG LYS A 63 14.889 -6.447 2.737 1.00 16.98 C ATOM 1004 CD LYS A 63 16.131 -7.282 2.327 1.00 20.19 C ATOM 1005 CE LYS A 63 17.323 -7.059 3.238 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.411 -7.959 2.801 1.00 25.97 N ATOM 0 H LYS A 63 13.583 -4.258 2.046 1.00 11.73 H new ATOM 0 HA LYS A 63 11.601 -6.151 1.426 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.529 -7.722 1.619 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.017 -6.279 0.753 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.155 -5.391 2.778 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.568 -6.734 3.738 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.869 -8.340 2.334 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.410 -7.029 1.304 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.648 -6.019 3.192 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.053 -7.263 4.274 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.241 -7.823 3.413 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.091 -8.947 2.865 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.667 -7.741 1.817 1.00 25.97 H new ATOM 1020 N GLU A 64 10.742 -7.326 3.354 1.00 10.04 N ATOM 1021 CA GLU A 64 9.964 -7.929 4.437 1.00 10.94 C ATOM 1022 C GLU A 64 9.128 -7.039 5.267 1.00 9.74 C ATOM 1023 O GLU A 64 8.699 -7.453 6.339 1.00 9.42 O ATOM 1024 CB GLU A 64 10.783 -8.874 5.297 1.00 18.31 C ATOM 1025 CG GLU A 64 11.149 -10.120 4.452 1.00 24.16 C ATOM 1026 CD GLU A 64 11.910 -11.052 5.363 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.953 -10.970 6.601 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.323 -12.031 4.701 1.00 32.61 O ATOM 0 H GLU A 64 10.403 -7.631 2.442 1.00 10.04 H new ATOM 0 HA GLU A 64 9.228 -8.500 3.871 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.687 -8.377 5.650 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.216 -9.169 6.180 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.252 -10.603 4.066 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.756 -9.839 3.591 1.00 24.16 H new ATOM 1035 N SER A 65 8.925 -5.806 4.786 1.00 6.85 N ATOM 1036 CA SER A 65 8.052 -4.843 5.440 1.00 6.90 C ATOM 1037 C SER A 65 6.606 -5.267 5.500 1.00 4.72 C ATOM 1038 O SER A 65 6.106 -5.914 4.613 1.00 3.91 O ATOM 1039 CB SER A 65 8.143 -3.466 4.767 1.00 7.28 C ATOM 1040 OG SER A 65 7.785 -2.421 5.681 1.00 10.56 O ATOM 0 H SER A 65 9.363 -5.456 3.934 1.00 6.85 H new ATOM 0 HA SER A 65 8.415 -4.787 6.466 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.157 -3.302 4.402 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.483 -3.437 3.900 1.00 7.28 H new ATOM 0 HG SER A 65 7.853 -1.554 5.229 1.00 10.56 H new ATOM 1046 N THR A 66 5.901 -4.855 6.635 1.00 4.48 N ATOM 1047 CA THR A 66 4.493 -4.992 6.765 1.00 3.80 C ATOM 1048 C THR A 66 3.986 -3.607 6.579 1.00 4.60 C ATOM 1049 O THR A 66 4.181 -2.703 7.379 1.00 5.33 O ATOM 1050 CB THR A 66 4.023 -5.641 8.080 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.422 -7.016 8.157 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.464 -5.623 8.049 1.00 3.40 C ATOM 0 H THR A 66 6.348 -4.428 7.446 1.00 4.48 H new ATOM 0 HA THR A 66 4.095 -5.692 6.030 1.00 3.80 H new ATOM 0 HB THR A 66 4.451 -5.100 8.924 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.111 -7.400 9.003 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.077 -6.074 8.963 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.113 -4.594 7.975 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.111 -6.189 7.187 1.00 3.40 H new ATOM 1060 N LEU A 67 3.084 -3.366 5.501 1.00 4.17 N ATOM 1061 CA LEU A 67 2.355 -2.139 5.358 1.00 3.85 C ATOM 1062 C LEU A 67 0.909 -2.403 5.646 1.00 3.80 C ATOM 1063 O LEU A 67 0.333 -3.363 5.085 1.00 5.54 O ATOM 1064 CB LEU A 67 2.394 -1.540 3.889 1.00 7.18 C ATOM 1065 CG LEU A 67 3.735 -1.596 3.134 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.555 -1.082 1.669 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.783 -0.763 3.986 1.00 11.66 C ATOM 0 H LEU A 67 2.897 -4.045 4.763 1.00 4.17 H new ATOM 0 HA LEU A 67 2.823 -1.432 6.043 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.649 -2.066 3.291 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.081 -0.497 3.943 1.00 7.18 H new ATOM 0 HG LEU A 67 4.108 -2.615 3.031 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.511 -1.127 1.147 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.829 -1.708 1.150 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.199 -0.052 1.686 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.751 -0.776 3.486 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.438 0.267 4.082 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.881 -1.206 4.977 1.00 11.66 H new ATOM 1079 N HIS A 68 0.273 -1.673 6.504 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.144 -1.760 6.737 1.00 4.17 C ATOM 1081 C HIS A 68 -1.948 -1.274 5.575 1.00 5.32 C ATOM 1082 O HIS A 68 -1.558 -0.401 4.749 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.559 -1.035 8.022 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.606 -1.085 9.140 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.491 -0.234 9.258 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.431 -1.986 10.112 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.316 -0.727 10.220 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.782 -1.792 10.760 1.00 16.30 N ATOM 0 H HIS A 68 0.736 -0.974 7.085 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.362 -2.821 6.862 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.745 0.011 7.779 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.505 -1.456 8.361 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.649 0.615 8.715 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.139 -2.762 10.361 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.270 -0.303 10.497 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.195 -1.724 5.340 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.143 -1.414 4.254 1.00 3.97 C ATOM 1098 C LEU A 69 -5.409 -1.169 5.024 1.00 5.07 C ATOM 1099 O LEU A 69 -5.778 -2.024 5.822 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.247 -2.697 3.315 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.425 -2.825 2.329 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.640 -1.613 1.467 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.081 -4.017 1.427 1.00 9.96 C ATOM 0 H LEU A 69 -3.611 -2.395 5.986 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.883 -0.577 3.606 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.327 -2.751 2.733 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.266 -3.574 3.962 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.347 -2.948 2.898 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.487 -1.785 0.802 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.844 -0.749 2.099 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.745 -1.425 0.874 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.879 -4.165 0.700 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.145 -3.819 0.904 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -4.974 -4.915 2.036 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.978 0.013 4.831 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.251 0.419 5.452 1.00 6.26 C ATOM 1117 C VAL A 70 -8.246 0.761 4.434 1.00 9.22 C ATOM 1118 O VAL A 70 -7.943 1.387 3.392 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.920 1.636 6.229 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.132 2.511 6.679 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.123 1.136 7.436 1.00 8.54 C ATOM 0 H VAL A 70 -5.571 0.732 4.233 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.670 -0.382 6.061 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.363 2.319 5.587 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.770 3.373 7.239 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.680 2.853 5.801 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.793 1.919 7.312 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.841 1.983 8.062 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.735 0.445 8.015 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.225 0.624 7.092 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.492 0.373 4.679 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.544 0.876 3.782 1.00 16.06 C ATOM 1133 C LEU A 71 -11.009 2.314 4.042 1.00 18.09 C ATOM 1134 O LEU A 71 -11.297 2.675 5.210 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.829 -0.031 3.751 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.786 -1.434 3.087 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.187 -2.123 3.402 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.533 -1.255 1.562 1.00 19.57 C ATOM 0 H LEU A 71 -9.794 -0.244 5.433 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.031 0.852 2.820 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.148 -0.173 4.784 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.613 0.538 3.251 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.984 -2.065 3.469 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.212 -3.117 2.956 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.317 -2.206 4.481 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.992 -1.518 2.985 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.500 -2.233 1.081 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.338 -0.663 1.127 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.583 -0.743 1.408 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.979 3.165 2.956 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.353 4.627 3.098 1.00 25.83 C ATOM 1152 C ARG A 72 -12.772 4.838 3.647 1.00 27.74 C ATOM 1153 O ARG A 72 -13.809 4.356 3.155 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.339 5.352 1.711 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.638 6.866 1.765 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.247 7.493 0.450 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.339 9.003 0.501 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.015 9.831 -0.508 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.936 9.369 -1.757 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.661 11.071 -0.249 1.00 35.02 N ATOM 0 H ARG A 72 -10.713 2.883 2.013 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.612 5.031 3.788 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.362 5.206 1.251 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.072 4.875 1.061 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.697 7.033 1.961 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.085 7.330 2.582 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.229 7.199 0.195 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.896 7.115 -0.340 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.672 9.425 1.368 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.122 8.385 -1.949 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.690 10.000 -2.520 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.633 11.402 0.715 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.415 11.701 -1.012 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.840 5.771 4.609 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.046 6.374 5.023 1.00 30.76 C ATOM 1176 C LEU A 73 -13.922 7.822 4.615 1.00 32.18 C ATOM 1177 O LEU A 73 -12.932 8.524 4.894 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.188 6.332 6.560 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.421 4.872 7.029 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.379 4.691 8.529 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.673 4.202 6.490 1.00 29.11 C ATOM 0 H LEU A 73 -12.020 6.112 5.111 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.903 5.862 4.585 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.290 6.735 7.028 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.021 6.961 6.874 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.563 4.367 6.584 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.551 3.643 8.774 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -13.403 4.996 8.905 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.153 5.303 8.991 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.739 3.186 6.880 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.551 4.768 6.801 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.629 4.171 5.401 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.964 8.322 3.878 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.045 9.689 3.405 1.00 35.33 C ATOM 1195 C ARG A 74 -15.111 10.762 4.468 1.00 36.22 C ATOM 1196 O ARG A 74 -14.583 11.893 4.352 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.238 9.744 2.386 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.163 8.770 1.159 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.083 9.199 0.126 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.884 8.017 -0.722 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.455 7.995 -1.999 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.150 9.087 -2.653 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.466 6.802 -2.606 1.00 41.93 N ATOM 0 H ARG A 74 -15.768 7.755 3.608 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.100 9.940 2.924 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.159 9.536 2.930 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.315 10.763 2.007 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.944 7.762 1.512 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.136 8.732 0.669 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.415 10.055 -0.461 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.157 9.491 0.621 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.094 7.113 -0.298 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.234 9.995 -2.196 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.828 9.030 -3.619 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.787 5.976 -2.101 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.153 6.719 -3.573 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.686 10.350 5.602 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.995 11.253 6.699 1.00 36.07 C ATOM 1219 C GLY A 75 -14.844 11.393 7.646 1.00 36.16 C ATOM 1220 O GLY A 75 -14.923 11.945 8.751 1.00 36.26 O ATOM 0 H GLY A 75 -15.948 9.380 5.779 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.258 12.233 6.300 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.867 10.884 7.239 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.646 10.840 7.246 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.398 11.040 7.981 1.00 36.19 C ATOM 1226 C GLY A 76 -11.123 10.533 7.243 1.00 36.20 C ATOM 1227 O GLY A 76 -10.699 11.124 6.232 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.550 9.485 7.701 1.00 0.00 O ATOM 0 H GLY A 76 -13.547 10.257 6.415 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.282 12.103 8.191 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.472 10.531 8.942 1.00 36.19 H new TER 1232 GLY A 76